smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1c2ccccc2C(C2CCCCC2)=N[C@@H](NC(=O)Nc2cccc(C(=O)[N-]S(C)(=O)=O)c2)C1=O ZINC000001482901 561675671 /nfs/dbraw/zinc/67/56/71/561675671.db2.gz OXIBARNSSWCFSM-QFIPXVFZSA-N -1 0 511.604 2.870 1 0 KFAFRM O=C([O-])Cn1c(=O)c2cc(I)ccc2n(Cc2ccc(Br)cc2F)c1=O ZINC000001493149 561676371 /nfs/dbraw/zinc/67/63/71/561676371.db2.gz ODSRLWBMOBQOGA-UHFFFAOYSA-N -1 0 533.091 2.802 1 0 KFAFRM COc1ccccc1[N-]S(=O)(=O)c1ccc2nc(C)n(NC(=O)CNc3ccccc3OC)c(=O)c2c1 ZINC000001651070 561678518 /nfs/dbraw/zinc/67/85/18/561678518.db2.gz WRGTZHNGLZYYFR-UHFFFAOYSA-N -1 0 523.571 2.705 1 0 KFAFRM CO[C@H]1CC[C@H](O)c2c(=O)c3c(oc21)c(O)c1c2c3OCO[C@@H]2Cc2cc3cc(C)n(N)c(=O)c3c([O-])c2-1 ZINC000002007947 560185442 /nfs/dbraw/zinc/18/54/42/560185442.db2.gz LYKFTVCDYGGLGW-MELADBBJSA-N -1 0 520.494 2.687 1 0 in-vitro KFAFRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1 ZINC000003838287 561683739 /nfs/dbraw/zinc/68/37/39/561683739.db2.gz FOWJIKMBXHGMKS-UHFFFAOYSA-N -1 0 577.642 2.917 1 0 KFAFRM Cc1nc(S(=O)(=O)[N-]c2ccc(Cc3nc4c([nH]3)n(CC3CC3)c(=O)n(Cc3ccccc3F)c4=O)cc2)cn1C ZINC000003838291 561683764 /nfs/dbraw/zinc/68/37/64/561683764.db2.gz RHYAQUDCCTUZNF-UHFFFAOYSA-N -1 0 577.642 2.917 1 0 KFAFRM Cn1cc(S(=O)(=O)[N-]c2ccc(Cc3nc4c([nH]3)n(CC3CC3)c(=O)n(Cc3ccccc3F)c4=O)cc2)cn1 ZINC000003838292 561683742 /nfs/dbraw/zinc/68/37/42/561683742.db2.gz VCKLIWXLPHUGCX-UHFFFAOYSA-N -1 0 563.615 2.609 1 0 KFAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccc(Cl)c(Cl)c4)C(=O)[O-])cc3)cnc2n1 ZINC000003913968 561684428 /nfs/dbraw/zinc/68/44/28/561684428.db2.gz WLWWMAXVPLTADE-IBGZPJMESA-N -1 0 598.451 2.896 1 0 KFAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3SC2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000003914062 561684459 /nfs/dbraw/zinc/68/44/59/561684459.db2.gz KAKULFVMDUQZEX-PDDLMNHVSA-N -1 0 650.685 2.735 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])NC(=O)[C@@H](Cc1ccccc1)C(N)=O ZINC000003914551 561684430 /nfs/dbraw/zinc/68/44/30/561684430.db2.gz CPEGVGOUYIEOQS-GDWZEYGFSA-N -1 0 678.787 2.512 1 0 KFAFRM O=C([O-])C1=C(COC(=O)c2cn(-c3ccc(F)cc3)c3cc4c(cc3c2=O)OCO4)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12 ZINC000003917955 561685278 /nfs/dbraw/zinc/68/52/78/561685278.db2.gz BWSNBCNWRJPTLJ-DLFZDVPBSA-N -1 0 673.631 2.833 1 0 KFAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3cccc(c32)C1=O)[P@@](=O)([O-])O ZINC000003930584 561687364 /nfs/dbraw/zinc/68/73/64/561687364.db2.gz KUVXVNIOOYCQJJ-GSDHBNRESA-N -1 0 608.632 2.808 1 0 KFAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC1=C(Cc2ccccc2)C(=O)OC1 ZINC000003930655 561687401 /nfs/dbraw/zinc/68/74/01/561687401.db2.gz QRQQNZQYYGIIMW-NVQXNPDNSA-N -1 0 552.580 2.536 1 0 KFAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)cc(F)cc1F ZINC000003934235 561688187 /nfs/dbraw/zinc/68/81/87/561688187.db2.gz RZTNFNUQIOVICT-URXFXBBRSA-N -1 0 573.524 2.944 1 0 KFAFRM CCC[C@@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000003966114 561691693 /nfs/dbraw/zinc/69/16/93/561691693.db2.gz ZHVMEZXHKSSDJL-JMZGFNRRSA-N -1 0 685.819 2.515 1 0 KFAFRM CC(C)COC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000003966115 561691737 /nfs/dbraw/zinc/69/17/37/561691737.db2.gz VZZMJPCOMQVXJP-ZHTHUIBPSA-N -1 0 697.830 2.515 1 0 in-vitro KFAFRM CCOC(=O)c1c([O-])c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)c(C)c2oc1=O ZINC000003978988 561692172 /nfs/dbraw/zinc/69/21/72/561692172.db2.gz YQBKKPBYRCEKDS-INGGGZDUSA-N -1 0 545.541 2.735 1 0 KFAFRM CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(C(C)=O)c(=O)oc3c2C)OC1(C)C ZINC000003978991 561692145 /nfs/dbraw/zinc/69/21/45/561692145.db2.gz HIZMNZIAFUNVNW-BBNRHVKASA-N -1 0 515.515 2.761 1 0 KFAFRM CCOCC(=O)c1c([O-])c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)c(C)c2oc1=O ZINC000003978993 561692146 /nfs/dbraw/zinc/69/21/46/561692146.db2.gz MSUFHODBCYAARW-IFZRMHHFSA-N -1 0 559.568 2.778 1 0 KFAFRM CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4c(F)cc5c(=O)c(C(=O)[O-])cn6c5c4OC[C@H]6C)CC3)c(F)c2)C(=O)O1 ZINC000003980023 561692417 /nfs/dbraw/zinc/69/24/17/561692417.db2.gz SKQNBBKLALGGCZ-QAPCUYQASA-N -1 0 597.575 2.719 1 0 KFAFRM CC(=O)Oc1cccc(C(=O)NCCCCCN(CC(=O)[O-])C(=O)c2cccc(OC(C)=O)c2OC(C)=O)c1OC(C)=O ZINC000003989786 561693380 /nfs/dbraw/zinc/69/33/80/561693380.db2.gz CECAEZBCYHVIBJ-UHFFFAOYSA-N -1 0 600.577 2.515 1 0 KFAFRM COc1ccc(OC)c(CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc2ccccc2)C(C)C)c1 ZINC000003993750 561693694 /nfs/dbraw/zinc/69/36/94/561693694.db2.gz LZUSNJFQIBHZRE-LVXARBLLSA-N -1 0 530.643 2.849 1 0 KFAFRM CS(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)[P@@](=O)([O-])CC1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCCC1 ZINC000004214145 561694273 /nfs/dbraw/zinc/69/42/73/561694273.db2.gz UBQFBYMIHFXWBF-YTCPBCGMSA-N -1 0 703.799 2.842 1 0 in-vivo KFAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000005105411 561695680 /nfs/dbraw/zinc/69/56/80/561695680.db2.gz KWISOMZJDLWXAZ-QFIPXVFZSA-N -1 0 587.641 2.500 1 0 KFAFRM COc1ccc(NS(=O)(=O)c2ccc3ncn([N-]S(=O)(=O)c4ccc(I)cc4)c(=O)c3c2)cc1 ZINC000005579134 561696643 /nfs/dbraw/zinc/69/66/43/561696643.db2.gz LFAAFQMOZGKCDG-UHFFFAOYSA-N -1 0 612.427 2.743 1 0 KFAFRM Nn1c(=O)c(/C=C/c2c(O)ccc3ccccc32)nnc1Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000005579400 561696810 /nfs/dbraw/zinc/69/68/10/561696810.db2.gz GSWSANSOOSQPTB-VAWYXSNFSA-N -1 0 528.554 2.716 1 0 KFAFRM CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)C(F)(F)F ZINC000005729402 561697787 /nfs/dbraw/zinc/69/77/87/561697787.db2.gz JOUSFQISCOTOSZ-JOCHJYFZSA-N -1 0 553.519 2.950 1 0 KFAFRM CCOC(=O)[C@](NC(=O)CC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(F)(F)F ZINC000005742231 561698173 /nfs/dbraw/zinc/69/81/73/561698173.db2.gz LPMATLYZOMJOIQ-DEOSSOPVSA-N -1 0 556.513 2.644 1 0 KFAFRM CCOC(=O)N[C@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1)C(F)(F)F ZINC000005742240 561698194 /nfs/dbraw/zinc/69/81/94/561698194.db2.gz WXDALWZZLSGIPW-HSZRJFAPSA-N -1 0 560.501 2.549 1 0 KFAFRM C[C@H](CCC(=O)NCC[P@@](=O)([O-])O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000008220023 560207400 /nfs/dbraw/zinc/20/74/00/560207400.db2.gz BGUPNWPPECTFDP-FREJXKSPSA-N -1 0 515.628 2.658 1 0 in-vitro KFAFRM CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4c(F)cc5c(=O)c(C(=O)[O-])cn6c5c4OC[C@@H]6C)CC3)c(F)c2)C(=O)O1 ZINC000009133501 561708930 /nfs/dbraw/zinc/70/89/30/561708930.db2.gz SKQNBBKLALGGCZ-YJBOKZPZSA-N -1 0 597.575 2.719 1 0 KFAFRM C[C@H](NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NC1N=NC(=S)S1 ZINC000010450425 561709456 /nfs/dbraw/zinc/70/94/56/561709456.db2.gz YPHZPHWJIIIDPD-WPRPVWTQSA-N -1 0 581.570 2.555 1 0 KFAFRM CS(=O)(=O)NCCCCCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O ZINC000012358400 561710353 /nfs/dbraw/zinc/71/03/53/561710353.db2.gz XXCUJNNYVKJWNN-HSZRJFAPSA-N -1 0 504.605 2.986 1 0 KFAFRM CS(=O)(=O)NCCCCCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O ZINC000012358401 561710362 /nfs/dbraw/zinc/71/03/62/561710362.db2.gz XXCUJNNYVKJWNN-QHCPKHFHSA-N -1 0 504.605 2.986 1 0 KFAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](c2cn(C)c3cc(C(N)=O)ccc23)c2ccc3c(c2)OCO3)cc1 ZINC000013436388 561711945 /nfs/dbraw/zinc/71/19/45/561711945.db2.gz PUMKVXYNDYQHJI-DEOSSOPVSA-N -1 0 505.552 2.951 1 0 KFAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](c2cn(C)c3cc(C(N)=O)ccc23)c2ccc3c(c2)OCO3)cc1 ZINC000013436392 561711995 /nfs/dbraw/zinc/71/19/95/561711995.db2.gz PUMKVXYNDYQHJI-XMMPIXPASA-N -1 0 505.552 2.951 1 0 KFAFRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](c2cn(C)c3cc(C(N)=O)ccc23)c2ccc3c(c2)OCO3)cc1 ZINC000013436395 561711943 /nfs/dbraw/zinc/71/19/43/561711943.db2.gz BSLISXSHQLGIIZ-DEOSSOPVSA-N -1 0 521.551 2.652 1 0 KFAFRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](c2cn(C)c3cc(C(N)=O)ccc23)c2ccc3c(c2)OCO3)cc1 ZINC000013436400 561712001 /nfs/dbraw/zinc/71/20/01/561712001.db2.gz BSLISXSHQLGIIZ-XMMPIXPASA-N -1 0 521.551 2.652 1 0 KFAFRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](c1cn(C)c2cc(C(N)=O)ccc12)c1ccc2c(c1)OCO2 ZINC000013436404 561711953 /nfs/dbraw/zinc/71/19/53/561711953.db2.gz WKYQABAYTVWYQR-DEOSSOPVSA-N -1 0 505.552 2.951 1 0 KFAFRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](c1cn(C)c2cc(C(N)=O)ccc12)c1ccc2c(c1)OCO2 ZINC000013436407 561711941 /nfs/dbraw/zinc/71/19/41/561711941.db2.gz WKYQABAYTVWYQR-XMMPIXPASA-N -1 0 505.552 2.951 1 0 KFAFRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](c1cn(C)c2cc(C(N)=O)ccc12)c1ccc2c(c1)OCO2 ZINC000013436411 561711987 /nfs/dbraw/zinc/71/19/87/561711987.db2.gz BOZMVLDNYMRJIR-DEOSSOPVSA-N -1 0 521.551 2.652 1 0 KFAFRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](c1cn(C)c2cc(C(N)=O)ccc12)c1ccc2c(c1)OCO2 ZINC000013436419 561711991 /nfs/dbraw/zinc/71/19/91/561711991.db2.gz BOZMVLDNYMRJIR-XMMPIXPASA-N -1 0 521.551 2.652 1 0 KFAFRM COc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000013436450 561711968 /nfs/dbraw/zinc/71/19/68/561711968.db2.gz XVFGXBXVSHPQNQ-OALUTQOASA-N -1 0 501.388 2.967 1 0 KFAFRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CNC(=O)c2ccc(NC(=O)NCc3ccccc3)o2)cc1OC ZINC000013441568 561712724 /nfs/dbraw/zinc/71/27/24/561712724.db2.gz OLCXJKREUBWULJ-GOSISDBHSA-N -1 0 524.530 2.681 1 0 KFAFRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CNC(=O)c2ccc(NC(=O)NCc3ccccc3)o2)cc1OC ZINC000013441570 561712703 /nfs/dbraw/zinc/71/27/03/561712703.db2.gz OLCXJKREUBWULJ-SFHVURJKSA-N -1 0 524.530 2.681 1 0 KFAFRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000013442579 561712867 /nfs/dbraw/zinc/71/28/67/561712867.db2.gz BXXARJACSOMMKX-DLBZAZTESA-N -1 0 511.387 2.674 1 0 KFAFRM COc1nc(N[C@@H](Cc2ccc(N(C)C(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])nc(OC)n1 ZINC000013442595 561712863 /nfs/dbraw/zinc/71/28/63/561712863.db2.gz JILIVTFIYUJXCX-HNNXBMFYSA-N -1 0 507.334 2.975 1 0 KFAFRM CS(=O)(=O)c1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncn1 ZINC000013442599 561712857 /nfs/dbraw/zinc/71/28/57/561712857.db2.gz COAKREOCHWVYRW-HNNXBMFYSA-N -1 0 510.359 2.942 1 0 KFAFRM Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(CNc2ccccn2)CC1 ZINC000013486982 561714993 /nfs/dbraw/zinc/71/49/93/561714993.db2.gz ZNFLNPHHAFFHFM-QFIPXVFZSA-N -1 0 520.590 2.655 1 0 KFAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3nccn3C)CCCC2)C(=O)[O-])cc1 ZINC000013488141 561715527 /nfs/dbraw/zinc/71/55/27/561715527.db2.gz DVLBSXLUGBCBRC-NRFANRHFSA-N -1 0 511.600 2.994 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)ccc1C1CC1)c1cccnc1 ZINC000013489941 561716012 /nfs/dbraw/zinc/71/60/12/561716012.db2.gz NOWXQWGDOHATCX-QFIPXVFZSA-N -1 0 502.575 2.818 1 0 KFAFRM CCCc1ccc(NCc2ccc3c(n2)NCCC3)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])c1cccnc1 ZINC000013489942 561715948 /nfs/dbraw/zinc/71/59/48/561715948.db2.gz SBROZGGPOIEKJM-QHCPKHFHSA-N -1 0 504.591 2.893 1 0 KFAFRM CCc1cnc(NCc2ccc3c(n2)NCCC3)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])c1cccc(F)c1 ZINC000013489946 561716025 /nfs/dbraw/zinc/71/60/25/561716025.db2.gz XGBKKOOTEJXBQX-NRFANRHFSA-N -1 0 508.554 2.642 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)ncc1C1CC1)c1cccc(F)c1 ZINC000013489947 561716044 /nfs/dbraw/zinc/71/60/44/561716044.db2.gz PLPDPJUYPOKPOK-NRFANRHFSA-N -1 0 520.565 2.957 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013530033 561717627 /nfs/dbraw/zinc/71/76/27/561717627.db2.gz IXLOEMUNKMDCDV-CAIZAGQASA-N -1 0 527.565 2.652 1 0 in-vivo KFAFRM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013530036 561717586 /nfs/dbraw/zinc/71/75/86/561717586.db2.gz IXLOEMUNKMDCDV-NFBUACBFSA-N -1 0 527.565 2.652 1 0 in-vivo KFAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OC(C)C ZINC000013558414 561719151 /nfs/dbraw/zinc/71/91/51/561719151.db2.gz KCTOASLYFOTKBA-UHFFFAOYSA-N -1 0 500.042 2.891 1 0 KFAFRM CCCOc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1S(=O)(=O)[N-]C(=S)NC ZINC000013558415 561719222 /nfs/dbraw/zinc/71/92/22/561719222.db2.gz NKKBPZPBNCBZKU-UHFFFAOYSA-N -1 0 500.042 2.893 1 0 KFAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)c(C)c(C)c1OC ZINC000013558437 561719335 /nfs/dbraw/zinc/71/93/35/561719335.db2.gz SIWIQXAYXRPEQL-UHFFFAOYSA-N -1 0 500.042 2.729 1 0 KFAFRM O=C(NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)C[P@](=O)([O-])O ZINC000013558491 561719287 /nfs/dbraw/zinc/71/92/87/561719287.db2.gz PENUYKDCGZXPRG-RPBOFIJWSA-N -1 0 537.638 2.707 1 0 KFAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@@H](O)Cc2ccccc2)C(=O)[O-])cc1 ZINC000013587692 561720884 /nfs/dbraw/zinc/72/08/84/561720884.db2.gz OZFMLABPBWLLNO-ZEQRLZLVSA-N -1 0 504.649 2.985 1 0 KFAFRM COc1ccccc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000013589578 561721401 /nfs/dbraw/zinc/72/14/01/561721401.db2.gz KAFDAJYQBQRJGM-CPJSRVTESA-N -1 0 500.617 2.841 1 0 KFAFRM COc1cccc(CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc2ccccc2)C(C)C)c1 ZINC000013589579 561721319 /nfs/dbraw/zinc/72/13/19/561721319.db2.gz RHPCNWBBSVNQEY-OFVILXPXSA-N -1 0 500.617 2.841 1 0 KFAFRM CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)[C@@H](O)CC(=O)[O-] ZINC000013650021 561722798 /nfs/dbraw/zinc/72/27/98/561722798.db2.gz QSTGMGZXIKRTIF-SQOUVECCSA-N -1 0 507.628 2.589 1 0 KFAFRM CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)[C@H](O)CC(=O)[O-] ZINC000013650022 561723020 /nfs/dbraw/zinc/72/30/20/561723020.db2.gz QSTGMGZXIKRTIF-MQFRRQCYSA-N -1 0 507.628 2.589 1 0 KFAFRM COc1cnn(CCO)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000013704590 561724957 /nfs/dbraw/zinc/72/49/57/561724957.db2.gz BVCWBPBHALGRTA-KRWDZBQOSA-N -1 0 506.342 2.644 1 0 KFAFRM Cn1ncc(OCCO)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000013704616 561724955 /nfs/dbraw/zinc/72/49/55/561724955.db2.gz SDQKXZWRNGVHOC-KRWDZBQOSA-N -1 0 506.342 2.551 1 0 KFAFRM CCCc1nc(C)n2nc(S(=O)(=O)[N-]C)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013737988 561725652 /nfs/dbraw/zinc/72/56/52/561725652.db2.gz MNHSWGJSIZELRQ-UHFFFAOYSA-N -1 0 503.592 2.731 1 0 KFAFRM CCCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013746813 561726842 /nfs/dbraw/zinc/72/68/42/561726842.db2.gz LWUBIGVGNBJAAJ-ACRUOGEOSA-N -1 0 508.685 2.550 1 0 KFAFRM CSCC[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013746817 561726870 /nfs/dbraw/zinc/72/68/70/561726870.db2.gz VTPZZLXHIZSCRN-UFYCRDLUSA-N -1 0 508.685 2.549 1 0 KFAFRM COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2Cc2ccc(O)cc2)cc1O ZINC000013760686 561727698 /nfs/dbraw/zinc/72/76/98/561727698.db2.gz PEZLAFKDOMGSEL-OPAMFIHVSA-N -1 0 507.495 2.514 1 0 KFAFRM CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C)C(=O)C(F)(F)F ZINC000013762506 561728098 /nfs/dbraw/zinc/72/80/98/561728098.db2.gz JTBUXKMHYWYVHK-KSZLIROESA-N -1 0 528.528 2.794 1 0 KFAFRM CC(C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000013762508 561728097 /nfs/dbraw/zinc/72/80/97/561728097.db2.gz JTBUXKMHYWYVHK-BZSNNMDCSA-N -1 0 528.528 2.794 1 0 KFAFRM COc1ccc(-n2nnc(-c3ccc(S(=O)(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)[O-])cc3)n2)cc1 ZINC000013778445 561728753 /nfs/dbraw/zinc/72/87/53/561728753.db2.gz YKCFIBZBJVGNQA-HSZRJFAPSA-N -1 0 518.555 2.793 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)C(=O)NCCc1ccccc1 ZINC000013803649 561731141 /nfs/dbraw/zinc/73/11/41/561731141.db2.gz LCPHCIZOQGOMSN-QHCPKHFHSA-N -1 0 514.586 2.866 1 0 KFAFRM O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)NC(=O)Nc1ccccc1 ZINC000013803655 561731178 /nfs/dbraw/zinc/73/11/78/561731178.db2.gz UKWQPMATRRYDJU-NRFANRHFSA-N -1 0 501.547 2.938 1 0 KFAFRM O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)NC(=O)NCc1ccccc1 ZINC000013803657 561731146 /nfs/dbraw/zinc/73/11/46/561731146.db2.gz BRJYARSFLQGTHC-QFIPXVFZSA-N -1 0 515.574 2.616 1 0 KFAFRM O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)NC(=O)CCc1ccccc1 ZINC000013803659 561731169 /nfs/dbraw/zinc/73/11/69/561731169.db2.gz XLOKAZDDMNDPRF-QHCPKHFHSA-N -1 0 514.586 2.866 1 0 KFAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(C)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000013813239 561731795 /nfs/dbraw/zinc/73/17/95/561731795.db2.gz KUMRUDBKGRLOLH-KDACYPIMSA-N -1 0 509.603 2.629 1 0 KFAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2cc3c(cc2OCCO)OCO3)c1Cl ZINC000013815826 561731984 /nfs/dbraw/zinc/73/19/84/561731984.db2.gz XLWUWLXWMRPIPP-UHFFFAOYSA-N -1 0 501.926 2.851 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])[C@@H](C)CC ZINC000013861393 561734576 /nfs/dbraw/zinc/73/45/76/561734576.db2.gz QJVBGGFSEUUFEP-ZKHIMWLXSA-N -1 0 501.665 2.823 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-])[C@@H](C)CC ZINC000013861394 561734625 /nfs/dbraw/zinc/73/46/25/561734625.db2.gz QJVBGGFSEUUFEP-YFWFAHHUSA-N -1 0 501.665 2.823 1 0 KFAFRM COCCOC(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])CC1 ZINC000013863410 561735003 /nfs/dbraw/zinc/73/50/03/561735003.db2.gz YUWSFQQPCKKPJG-JOCHJYFZSA-N -1 0 506.577 2.589 1 0 KFAFRM COCCOC(=O)N1CCC([C@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])CC1 ZINC000013863411 561735005 /nfs/dbraw/zinc/73/50/05/561735005.db2.gz YUWSFQQPCKKPJG-QFIPXVFZSA-N -1 0 506.577 2.589 1 0 KFAFRM COCCOC(=O)N1CCC([C@H](C(=O)[O-])N(C)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000013863420 561734999 /nfs/dbraw/zinc/73/49/99/561734999.db2.gz IOANZCGEYMTXEK-HSZRJFAPSA-N -1 0 520.604 2.931 1 0 KFAFRM COCCOC(=O)N1CCC([C@@H](C(=O)[O-])N(C)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000013863421 561734973 /nfs/dbraw/zinc/73/49/73/561734973.db2.gz IOANZCGEYMTXEK-QHCPKHFHSA-N -1 0 520.604 2.931 1 0 KFAFRM O=C([O-])CN1CN(c2ccccc2)C2(CCN(C(=O)OCc3cc4c(cc3Cl)OCO4)CC2)C1=O ZINC000013864324 561735276 /nfs/dbraw/zinc/73/52/76/561735276.db2.gz WBXZCUHXTQVAEZ-UHFFFAOYSA-N -1 0 501.923 2.931 1 0 KFAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2cccc3cccc(c32)C1=O)[P@@](=O)([O-])O ZINC000014276166 561738859 /nfs/dbraw/zinc/73/88/59/561738859.db2.gz KUVXVNIOOYCQJJ-KKUQBAQOSA-N -1 0 608.632 2.808 1 0 KFAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CCC[C@@H]2CCCC[C@H]12)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000014286877 561739247 /nfs/dbraw/zinc/73/92/47/561739247.db2.gz VWSBHFWKGOESTL-KEOOTSPTSA-N -1 0 578.751 2.530 1 0 KFAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000014286883 561739280 /nfs/dbraw/zinc/73/92/80/561739280.db2.gz VWSBHFWKGOESTL-RYWAYVEBSA-N -1 0 578.751 2.530 1 0 KFAFRM O=C([O-])c1ccc2ccccc2c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944134 561742091 /nfs/dbraw/zinc/74/20/91/561742091.db2.gz CTBULQFIIOEIHV-ZJSXRUAMSA-N -1 0 556.527 2.813 1 0 KFAFRM O=C(N[C@@H]1C[NH2+]C[C@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])ccc3ccccc32)c(O)c1)c1ccc(O)cc1 ZINC000014944136 561742205 /nfs/dbraw/zinc/74/22/05/561742205.db2.gz OMMPHCNBAQGWDC-HYBUGGRVSA-N -1 0 528.517 2.820 1 0 KFAFRM CCCCOC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944169 561742334 /nfs/dbraw/zinc/74/23/34/561742334.db2.gz NXOILRDXHDPZAY-HYBUGGRVSA-N -1 0 578.574 2.624 1 0 KFAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CS(=O)(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000014946715 561744131 /nfs/dbraw/zinc/74/41/31/561744131.db2.gz XWDVRTHHZYSGAH-QHCPKHFHSA-N -1 0 538.688 2.855 1 0 KFAFRM CO[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C)c1ccccc1 ZINC000014947285 561744566 /nfs/dbraw/zinc/74/45/66/561744566.db2.gz QAKCFPZTYCECLG-OYDLWJJNSA-N -1 0 500.617 2.977 1 0 KFAFRM COc1ccc(C(C)=O)cc1[C@@H](O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000014947298 561744568 /nfs/dbraw/zinc/74/45/68/561744568.db2.gz MEOSEAYZHVITJF-OUIFVKKZSA-N -1 0 558.653 2.534 1 0 KFAFRM COc1ccc(-c2nc(C)no2)cc1[C@@H](O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000014947301 561744535 /nfs/dbraw/zinc/74/45/35/561744535.db2.gz STDJONDOUCKJSO-OUIFVKKZSA-N -1 0 598.678 2.690 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)c1cncc(S(=O)(=O)NCc2ccccc2)c1)C(=O)CSCc1ccc(F)cc1 ZINC000014947304 561744526 /nfs/dbraw/zinc/74/45/26/561744526.db2.gz QGEBSIAPHIKMCU-QFIPXVFZSA-N -1 0 545.614 2.775 1 0 KFAFRM CCC[C@@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)[O-] ZINC000014949538 561745118 /nfs/dbraw/zinc/74/51/18/561745118.db2.gz HLTUASWYEKUYEG-WPVAHCMFSA-N -1 0 521.655 2.882 1 0 KFAFRM CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)[O-] ZINC000014949541 561745083 /nfs/dbraw/zinc/74/50/83/561745083.db2.gz HLTUASWYEKUYEG-HVTWWXFQSA-N -1 0 521.655 2.882 1 0 KFAFRM COc1ccc(-n2nc(C(=O)[O-])c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1 ZINC000014950500 561745600 /nfs/dbraw/zinc/74/56/00/561745600.db2.gz QDDZLGZKRAPRJX-UHFFFAOYSA-N -1 0 517.523 2.593 1 0 KFAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000014954172 561746921 /nfs/dbraw/zinc/74/69/21/561746921.db2.gz QYVDEYRBQUXSCR-IBGZPJMESA-N -1 0 573.599 2.613 1 0 KFAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)c2ncccc2[O-])cc1)NC(C)=O ZINC000014954197 561746833 /nfs/dbraw/zinc/74/68/33/561746833.db2.gz AIPGHJQAFUODHW-NRFANRHFSA-N -1 0 564.595 2.554 1 0 KFAFRM COc1ccc(-c2oc3c(CCC(C)C)c([O-])cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000014958362 291765679 /nfs/dbraw/zinc/76/56/79/291765679.db2.gz PFVZUXQCELCLBL-LVKFHIPRSA-N -1 0 516.543 2.675 1 0 biogenic,in-vitro KFAFRM COc1cnn(CCN2CCOCC2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000014962223 561748737 /nfs/dbraw/zinc/74/87/37/561748737.db2.gz LARLBZSTMWGXMK-NRFANRHFSA-N -1 0 575.449 2.984 1 0 KFAFRM Cn1ncc(OCCN2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000014962232 561748691 /nfs/dbraw/zinc/74/86/91/561748691.db2.gz FUCBSFYEWUNIOP-NRFANRHFSA-N -1 0 575.449 2.891 1 0 KFAFRM COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cc1 ZINC000014966580 561750018 /nfs/dbraw/zinc/75/00/18/561750018.db2.gz XTVVJSSQHZOGSY-XMMPIXPASA-N -1 0 605.644 2.875 1 0 KFAFRM O=C([O-])[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014969750 561750813 /nfs/dbraw/zinc/75/08/13/561750813.db2.gz CDBWTGDLAMALKH-OALUTQOASA-N -1 0 610.533 2.946 1 0 KFAFRM O=C([O-])[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000014969773 561750808 /nfs/dbraw/zinc/75/08/08/561750808.db2.gz XYOGSQQPCCUMRQ-DQEYMECFSA-N -1 0 550.637 2.576 1 0 KFAFRM O=C([O-])[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000014969802 561750800 /nfs/dbraw/zinc/75/08/00/561750800.db2.gz DRLPIRQVQRUEMO-DQEYMECFSA-N -1 0 608.677 2.553 1 0 KFAFRM O=c1c2c([O-])c(I)c([O-])c(I)c2ncn1-c1ccc(O)cc1 ZINC000014972377 561751488 /nfs/dbraw/zinc/75/14/88/561751488.db2.gz MEXVQMNBNLSCCA-UHFFFAOYSA-N -1 0 522.036 2.712 1 0 KFAFRM CC(C)c1nc(N(c2ccnn2C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014978022 561752563 /nfs/dbraw/zinc/75/25/63/561752563.db2.gz OSFSOCAXXXFKCI-BGGMYYEUSA-N -1 0 547.609 2.837 1 0 KFAFRM CC(C)c1nc(N(c2ccn(C)n2)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014978033 561752560 /nfs/dbraw/zinc/75/25/60/561752560.db2.gz CQQSHHILLHFILU-BGGMYYEUSA-N -1 0 547.609 2.837 1 0 KFAFRM O=C(NCCCN1CCOCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000020102956 561758580 /nfs/dbraw/zinc/75/85/80/561758580.db2.gz XNALGKVPPWJYQH-UHFFFAOYSA-N -1 0 517.449 2.948 1 0 KFAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000025971307 561763247 /nfs/dbraw/zinc/76/32/47/561763247.db2.gz ZCHFBJUWBIBKHD-ZOHVZMGWSA-N -1 0 728.891 2.867 1 0 KFAFRM CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000025972599 561763423 /nfs/dbraw/zinc/76/34/23/561763423.db2.gz MCERWXAJGGYGRM-HJOGWXRNSA-N -1 0 542.702 2.951 1 0 KFAFRM Nc1cc(C2=NO[C@@](C[N-]S(=O)(=O)CC(F)(F)F)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl ZINC000025977156 561763652 /nfs/dbraw/zinc/76/36/52/561763652.db2.gz ZNHFKOSTJKZJPL-QHCPKHFHSA-N -1 0 647.057 2.615 1 0 KFAFRM Nc1cc(C2=NO[C@](C[N-]S(=O)(=O)CC(F)(F)F)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl ZINC000025977164 561763644 /nfs/dbraw/zinc/76/36/44/561763644.db2.gz ZNHFKOSTJKZJPL-HSZRJFAPSA-N -1 0 647.057 2.615 1 0 KFAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccc(Cl)cc3)C(=O)Nc3ccccc3)[C@@H]2SC1 ZINC000025985986 561764270 /nfs/dbraw/zinc/76/42/70/561764270.db2.gz WNBDSFMQQLDXDT-QPPBQGQZSA-N -1 0 589.026 2.607 1 0 KFAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccc(Cl)cc3)C(=O)Nc3ccccc3)[C@H]2SC1 ZINC000025985995 561764216 /nfs/dbraw/zinc/76/42/16/561764216.db2.gz WNBDSFMQQLDXDT-ZJSXRUAMSA-N -1 0 589.026 2.607 1 0 KFAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3cccc(Cl)c3)C(=O)Nc3ccccc3)[C@@H]2SC1 ZINC000025986003 561764225 /nfs/dbraw/zinc/76/42/25/561764225.db2.gz ASRYXCDIYMFVRX-QPPBQGQZSA-N -1 0 589.026 2.607 1 0 KFAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3cccc(Cl)c3)C(=O)Nc3ccccc3)[C@H]2SC1 ZINC000025986013 561764243 /nfs/dbraw/zinc/76/42/43/561764243.db2.gz ASRYXCDIYMFVRX-ZJSXRUAMSA-N -1 0 589.026 2.607 1 0 KFAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccccc3Cl)C(=O)Nc3ccccc3)[C@@H]2SC1 ZINC000025988918 561764514 /nfs/dbraw/zinc/76/45/14/561764514.db2.gz CNDWXVFOMVXCSI-QPPBQGQZSA-N -1 0 589.026 2.607 1 0 KFAFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CN(OCc3ccccc3Cl)C(=O)Nc3ccccc3)[C@H]2SC1 ZINC000025988926 561764444 /nfs/dbraw/zinc/76/44/44/561764444.db2.gz CNDWXVFOMVXCSI-ZJSXRUAMSA-N -1 0 589.026 2.607 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1NC1CCC1 ZINC000025998960 561765291 /nfs/dbraw/zinc/76/52/91/561765291.db2.gz NPWQKIKZLZVBMN-XCWBOAQFSA-N -1 0 503.342 2.977 1 0 KFAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCC[C@@H](N(C)S(C)(=O)=O)C3)cc2)cc1 ZINC000026150995 561767695 /nfs/dbraw/zinc/76/76/95/561767695.db2.gz CPDXTLZUFAYJLD-KNKQGSTJSA-N -1 0 510.634 2.544 1 0 KFAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCC[C@@H](N(C)S(C)(=O)=O)C3)cc2)cc1 ZINC000026151010 561767651 /nfs/dbraw/zinc/76/76/51/561767651.db2.gz CPDXTLZUFAYJLD-JQVVWYNYSA-N -1 0 510.634 2.544 1 0 KFAFRM COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1 ZINC000026177177 561770960 /nfs/dbraw/zinc/77/09/60/561770960.db2.gz DNXCLCFATYFDDU-KKUHTIKPSA-N -1 0 724.811 2.786 1 0 KFAFRM COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1 ZINC000026177183 561770926 /nfs/dbraw/zinc/77/09/26/561770926.db2.gz DNXCLCFATYFDDU-YGCJABGBSA-N -1 0 724.811 2.786 1 0 KFAFRM COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1 ZINC000026177190 561771057 /nfs/dbraw/zinc/77/10/57/561771057.db2.gz DNXCLCFATYFDDU-AUBGGQFBSA-N -1 0 724.811 2.786 1 0 KFAFRM COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1 ZINC000026177198 561771061 /nfs/dbraw/zinc/77/10/61/561771061.db2.gz DNXCLCFATYFDDU-FHADHSQXSA-N -1 0 724.811 2.786 1 0 KFAFRM COC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026179631 561771403 /nfs/dbraw/zinc/77/14/03/561771403.db2.gz YCJUCHSEEMQYOD-NHCUHLMSSA-N -1 0 624.510 2.616 1 0 KFAFRM COC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026179637 561771349 /nfs/dbraw/zinc/77/13/49/561771349.db2.gz YCJUCHSEEMQYOD-RTWAWAEBSA-N -1 0 624.510 2.616 1 0 KFAFRM COC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026179643 561771387 /nfs/dbraw/zinc/77/13/87/561771387.db2.gz YCJUCHSEEMQYOD-LEWJYISDSA-N -1 0 624.510 2.616 1 0 KFAFRM COC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026179649 561771347 /nfs/dbraw/zinc/77/13/47/561771347.db2.gz YCJUCHSEEMQYOD-SFTDATJTSA-N -1 0 624.510 2.616 1 0 KFAFRM CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(CC(=O)[O-])c2ccccc12 ZINC000026180361 561771592 /nfs/dbraw/zinc/77/15/92/561771592.db2.gz TXXNSTABQIKRFV-VQFWCGETSA-N -1 0 582.657 2.687 1 0 KFAFRM CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cn(CC(=O)[O-])c2ccccc12 ZINC000026180367 561771586 /nfs/dbraw/zinc/77/15/86/561771586.db2.gz TXXNSTABQIKRFV-WOEHHYBBSA-N -1 0 582.657 2.687 1 0 KFAFRM CCCOc1ccc(S(=O)(=O)N2CCN(C[P@](=O)([O-])OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026181093 561771750 /nfs/dbraw/zinc/77/17/50/561771750.db2.gz BJXXGUDGNBDJPA-UHFFFAOYSA-N -1 0 596.647 2.551 1 0 KFAFRM CCCOc1ccc(S(=O)(=O)N2CCC(C[P@@](=O)([O-])O)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026186921 561772773 /nfs/dbraw/zinc/77/27/73/561772773.db2.gz LIZYBSSXAONWEJ-UHFFFAOYSA-N -1 0 567.605 2.643 1 0 KFAFRM CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CS[C@@H](CCO)C(=O)[O-])O1 ZINC000026188907 561773040 /nfs/dbraw/zinc/77/30/40/561773040.db2.gz APDRTDUGMKLOCD-CPUZKKIZSA-N -1 0 570.651 2.943 1 0 KFAFRM CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CS[C@@H](CCO)C(=O)[O-])O1 ZINC000026188915 561773050 /nfs/dbraw/zinc/77/30/50/561773050.db2.gz APDRTDUGMKLOCD-LVQQZPAQSA-N -1 0 570.651 2.943 1 0 KFAFRM CC(C)[C@H](O)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026259403 561775316 /nfs/dbraw/zinc/77/53/16/561775316.db2.gz RQDDVCOFXCENQD-SPTRTZJMSA-N -1 0 595.590 2.863 1 0 KFAFRM CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](OC(N)=O)C2)c(/C=C/C(=O)[O-])c3=O)n1 ZINC000026260563 561775467 /nfs/dbraw/zinc/77/54/67/561775467.db2.gz HPXXDHOVORKYLH-LQYUOIDQSA-N -1 0 540.602 2.863 1 0 KFAFRM CC(C)[C@@H](O)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026275366 561778066 /nfs/dbraw/zinc/77/80/66/561778066.db2.gz RQDDVCOFXCENQD-CSILHSIFSA-N -1 0 595.590 2.863 1 0 KFAFRM CC(C)[C@H](O)C(=O)N1C[C@H](OC2CCCCC2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026281047 561779013 /nfs/dbraw/zinc/77/90/13/561779013.db2.gz OFAOMLKVABQNBU-SPTRTZJMSA-N -1 0 617.637 2.797 1 0 KFAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@@H](O)C2CC2)c(F)c1 ZINC000026281221 561779006 /nfs/dbraw/zinc/77/90/06/561779006.db2.gz VOFNIBVMZSSUAO-SPTRTZJMSA-N -1 0 593.574 2.617 1 0 KFAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@H](O)C2CC2)c(F)c1 ZINC000026281227 561779011 /nfs/dbraw/zinc/77/90/11/561779011.db2.gz VOFNIBVMZSSUAO-CSILHSIFSA-N -1 0 593.574 2.617 1 0 KFAFRM CC(C)[C@H](O)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026281674 561779119 /nfs/dbraw/zinc/77/91/19/561779119.db2.gz NTZNXYKQIFHOSQ-ITAOHFDISA-N -1 0 625.616 2.665 1 0 KFAFRM CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccc(F)cc1)C3)N(C)C(C)=O ZINC000026281924 561779149 /nfs/dbraw/zinc/77/91/49/561779149.db2.gz JQBZFNPXCPETAI-VZLANYELSA-N -1 0 668.788 2.869 1 0 KFAFRM CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)c1nc2ccccc2s1)C3)N(C)C(C)=O ZINC000026281930 561779129 /nfs/dbraw/zinc/77/91/29/561779129.db2.gz HVOVPWXTIYQJLM-ISVXYFABSA-N -1 0 647.754 2.720 1 0 KFAFRM N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nnc(SCC4CC4)s3)CC[C@H]12)c1ccccc1 ZINC000026378166 561782686 /nfs/dbraw/zinc/78/26/86/561782686.db2.gz DGIZHURQMDCBFH-BMFZPTHFSA-N -1 0 517.658 2.618 1 0 KFAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](c1ccccc1)[C@@H](O)CC(=O)[O-])C(C)C ZINC000026380701 561783380 /nfs/dbraw/zinc/78/33/80/561783380.db2.gz ZCQYSIOBSMLSDT-BELIEFIBSA-N -1 0 527.618 2.771 1 0 KFAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](c1ccccc1)[C@@H](O)CC(=O)[O-])C(C)C ZINC000026380705 561783338 /nfs/dbraw/zinc/78/33/38/561783338.db2.gz ZCQYSIOBSMLSDT-LFBFJMOVSA-N -1 0 527.618 2.771 1 0 KFAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](c1ccccc1)[C@H](O)CC(=O)[O-])C(C)C ZINC000026380708 561783306 /nfs/dbraw/zinc/78/33/06/561783306.db2.gz ZCQYSIOBSMLSDT-DDKRZIBASA-N -1 0 527.618 2.771 1 0 KFAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](O)CC(=O)[O-])C(C)C ZINC000026380713 561783378 /nfs/dbraw/zinc/78/33/78/561783378.db2.gz ZCQYSIOBSMLSDT-VZVHPENPSA-N -1 0 527.618 2.771 1 0 KFAFRM CCCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)[C@@H](O)CC(=O)[O-] ZINC000026381971 561783415 /nfs/dbraw/zinc/78/34/15/561783415.db2.gz QSTGMGZXIKRTIF-VAPSRWTKSA-N -1 0 507.628 2.589 1 0 KFAFRM CCCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)[C@H](O)CC(=O)[O-] ZINC000026381975 561783426 /nfs/dbraw/zinc/78/34/26/561783426.db2.gz QSTGMGZXIKRTIF-SCPDWHHUSA-N -1 0 507.628 2.589 1 0 KFAFRM CCCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)[C@@H](O)CC(=O)[O-] ZINC000026386963 561784656 /nfs/dbraw/zinc/78/46/56/561784656.db2.gz QSTGMGZXIKRTIF-DWQJTFDBSA-N -1 0 507.628 2.589 1 0 KFAFRM CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)[C@@H](O)CC(=O)[O-] ZINC000026386967 561784715 /nfs/dbraw/zinc/78/47/15/561784715.db2.gz QSTGMGZXIKRTIF-BAMDZGJYSA-N -1 0 507.628 2.589 1 0 KFAFRM CCCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)[C@H](O)CC(=O)[O-] ZINC000026386970 561784662 /nfs/dbraw/zinc/78/46/62/561784662.db2.gz QSTGMGZXIKRTIF-YXPKMTABSA-N -1 0 507.628 2.589 1 0 KFAFRM CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)[C@H](O)CC(=O)[O-] ZINC000026386974 561784650 /nfs/dbraw/zinc/78/46/50/561784650.db2.gz QSTGMGZXIKRTIF-PABCKOPISA-N -1 0 507.628 2.589 1 0 KFAFRM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](c1ccccc1)[C@@H](O)CC(=O)[O-])C(C)C ZINC000026390858 561785811 /nfs/dbraw/zinc/78/58/11/561785811.db2.gz ZCQYSIOBSMLSDT-VLYJIQRVSA-N -1 0 527.618 2.771 1 0 KFAFRM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](c1ccccc1)[C@@H](O)CC(=O)[O-])C(C)C ZINC000026390862 561785791 /nfs/dbraw/zinc/78/57/91/561785791.db2.gz ZCQYSIOBSMLSDT-CGBRIMPHSA-N -1 0 527.618 2.771 1 0 KFAFRM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](c1ccccc1)[C@H](O)CC(=O)[O-])C(C)C ZINC000026390866 561785794 /nfs/dbraw/zinc/78/57/94/561785794.db2.gz ZCQYSIOBSMLSDT-RVFVQDDPSA-N -1 0 527.618 2.771 1 0 KFAFRM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](O)CC(=O)[O-])C(C)C ZINC000026390870 561785824 /nfs/dbraw/zinc/78/58/24/561785824.db2.gz ZCQYSIOBSMLSDT-WUEDSLEZSA-N -1 0 527.618 2.771 1 0 KFAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCN2S(=O)(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000026395951 561786961 /nfs/dbraw/zinc/78/69/61/561786961.db2.gz OOKOWKFWBFLMMG-VXKWHMMOSA-N -1 0 524.595 2.946 1 0 KFAFRM Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000026396490 561787156 /nfs/dbraw/zinc/78/71/56/561787156.db2.gz DMUAWZXRYTUAPH-PARVHPLESA-N -1 0 591.713 2.790 1 0 KFAFRM Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000026396494 561787170 /nfs/dbraw/zinc/78/71/70/561787170.db2.gz DMUAWZXRYTUAPH-CTHUERKZSA-N -1 0 591.713 2.790 1 0 KFAFRM Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000026396499 561787166 /nfs/dbraw/zinc/78/71/66/561787166.db2.gz DMUAWZXRYTUAPH-DTJIFZNFSA-N -1 0 591.713 2.790 1 0 KFAFRM Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000026396505 561787128 /nfs/dbraw/zinc/78/71/28/561787128.db2.gz DMUAWZXRYTUAPH-MGMJNFTGSA-N -1 0 591.713 2.790 1 0 KFAFRM Cn1c(Cc2nc3cc(C(N)=O)ccc3[nH]2)nc2ccc(C(=O)Nc3cccc(C(=O)NCCCC(=O)[O-])c3)cc21 ZINC000026402062 561788630 /nfs/dbraw/zinc/78/86/30/561788630.db2.gz GRQYPFXNKBXDCU-UHFFFAOYSA-N -1 0 553.579 2.986 1 0 KFAFRM Cn1c(Cc2nc3cc(C(N)=O)ccc3[nH]2)nc2ccc(C(=O)NCCc3ccc(OCC(=O)[O-])cc3)cc21 ZINC000026402233 561788608 /nfs/dbraw/zinc/78/86/08/561788608.db2.gz RDLJTFJLMIIZLK-UHFFFAOYSA-N -1 0 526.553 2.575 1 0 KFAFRM O=C(NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCO2 ZINC000026466737 561789873 /nfs/dbraw/zinc/78/98/73/561789873.db2.gz GHRUXPKTGDSWGH-QFIPXVFZSA-N -1 0 606.682 2.544 1 0 KFAFRM CO[C@@]1(NC(=O)c2ccccc2Oc2ccccc2)C(=O)N2C(C(=O)OCc3ccc(C(=O)[O-])cc3)=C(CSc3nnnn3C)CO[C@@H]21 ZINC000026487174 561792611 /nfs/dbraw/zinc/79/26/11/561792611.db2.gz NYSPLHRQODICCE-BHYZAODMSA-N -1 0 672.676 2.761 1 0 KFAFRM CCOC(=O)C[P@@](=O)([O-])[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026490045 561793158 /nfs/dbraw/zinc/79/31/58/561793158.db2.gz GSDBAIBPJKAZKN-FCEUIQTBSA-N -1 0 519.620 2.636 1 0 KFAFRM CCCCCCOc1ccc(C/C=C/[C@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])cc1 ZINC000026495792 561794331 /nfs/dbraw/zinc/79/43/31/561794331.db2.gz RPUACXVQBKYYEE-OLVWDMBASA-N -1 0 524.680 2.990 1 0 KFAFRM CCCCCCOc1ccccc1C/C=C/[C@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-] ZINC000026496306 561794340 /nfs/dbraw/zinc/79/43/40/561794340.db2.gz AZHHNYHELCQFJU-NNTFZZRKSA-N -1 0 524.680 2.990 1 0 KFAFRM CCCCCCOc1cccc(C/C=C/[C@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])c1 ZINC000026499847 561795145 /nfs/dbraw/zinc/79/51/45/561795145.db2.gz RYSYWWLALYEJEN-HTACPVTASA-N -1 0 524.680 2.990 1 0 KFAFRM COCCOC(=O)N1CCC([C@H](C(=O)[O-])N(CCOC)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000026500195 561795236 /nfs/dbraw/zinc/79/52/36/561795236.db2.gz IIBGHLQTRXDEKI-RUZDIDTESA-N -1 0 564.657 2.948 1 0 KFAFRM COCCOC(=O)N1CCC([C@@H](C(=O)[O-])N(CCOC)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000026500198 561795326 /nfs/dbraw/zinc/79/53/26/561795326.db2.gz IIBGHLQTRXDEKI-VWLOTQADSA-N -1 0 564.657 2.948 1 0 KFAFRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026501843 561795652 /nfs/dbraw/zinc/79/56/52/561795652.db2.gz QHWVLGPERLBSIQ-KCHLEUMXSA-N -1 0 583.645 2.787 1 0 KFAFRM CC1(C)O[C@@H]2C(=O)O[C@@H](COC(=O)CCNC(=O)[C@H](Cc3ccccc3)C[C@@H](Cc3ccccc3)C(=O)[O-])[C@@H]2O1 ZINC000026509344 561797089 /nfs/dbraw/zinc/79/70/89/561797089.db2.gz NDISAQZDIRJINS-RPWISQQKSA-N -1 0 553.608 2.674 1 0 KFAFRM CCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)C(=O)[O-] ZINC000026567134 561797204 /nfs/dbraw/zinc/79/72/04/561797204.db2.gz NKWKVVRZFOWAQZ-ABTFIVDISA-N -1 0 600.757 2.768 1 0 KFAFRM COc1ccc2c(c1)nccc2O[C@@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CC2)N(C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C2CCCCC2)C(C)C)C1 ZINC000026567847 561797544 /nfs/dbraw/zinc/79/75/44/561797544.db2.gz QEBHXUITTNWIPD-FWDBPZADSA-N -1 0 651.761 2.551 1 0 KFAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000026568918 561797589 /nfs/dbraw/zinc/79/75/89/561797589.db2.gz KLUHRRFQZHUKHC-KJWQXZETSA-N -1 0 578.751 2.530 1 0 KFAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000026568925 561797667 /nfs/dbraw/zinc/79/76/67/561797667.db2.gz KLUHRRFQZHUKHC-LFCBLZOASA-N -1 0 578.751 2.530 1 0 KFAFRM NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(C[P@@](=O)([O-])O)cc2)/C=C/C[C@@H](CC2=c3ccccc3=CCC2)CNC1=O ZINC000026569854 561797915 /nfs/dbraw/zinc/79/79/15/561797915.db2.gz BTUVYXNBILEQJL-GZNVFMSSSA-N -1 0 690.778 2.525 1 0 KFAFRM COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC[C@@]2(C1)OCCN(Cc1n[nH]c(=O)[n-]1)[C@H]2c1ccc(F)cc1 ZINC000026570058 561797888 /nfs/dbraw/zinc/79/78/88/561797888.db2.gz NGVPDDZWSVJTDD-QOFFVNHYSA-N -1 0 590.538 2.757 1 0 KFAFRM COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC[C@]2(C1)OCCN(Cc1n[nH]c(=O)[n-]1)[C@H]2c1ccc(F)cc1 ZINC000026570061 561797946 /nfs/dbraw/zinc/79/79/46/561797946.db2.gz NGVPDDZWSVJTDD-LREARKGRSA-N -1 0 590.538 2.757 1 0 KFAFRM CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000026575546 561799306 /nfs/dbraw/zinc/79/93/06/561799306.db2.gz WLEBKPCOWKLDCS-AWTHHPGASA-N -1 0 600.757 2.804 1 0 KFAFRM CO[N-]C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026576865 561800755 /nfs/dbraw/zinc/80/07/55/561800755.db2.gz XIHPDDQEUWCFDC-GSDHBNRESA-N -1 0 582.698 2.833 1 0 KFAFRM O=C([O-])c1ccc2ccccc2c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026577338 561801307 /nfs/dbraw/zinc/80/13/07/561801307.db2.gz CTBULQFIIOEIHV-XUZZJYLKSA-N -1 0 556.527 2.813 1 0 KFAFRM O=C([O-])c1ccc2ccccc2c1C(=O)c1c([O-])cc(C(=O)O[C@H]2C[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026577339 561801382 /nfs/dbraw/zinc/80/13/82/561801382.db2.gz CTBULQFIIOEIHV-URXFXBBRSA-N -1 0 556.527 2.813 1 0 KFAFRM O=C([O-])c1ccc2ccccc2c1C(=O)c1c([O-])cc(C(=O)O[C@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026577340 561801321 /nfs/dbraw/zinc/80/13/21/561801321.db2.gz CTBULQFIIOEIHV-QPPBQGQZSA-N -1 0 556.527 2.813 1 0 KFAFRM O=C([O-])COc1ccc(C(=O)CNC(=O)c2sc3c(c2Cc2ccccc2)C[NH2+]CC3)cc1OCC(=O)[O-] ZINC000026577462 561801585 /nfs/dbraw/zinc/80/15/85/561801585.db2.gz ALOXVVXDTYIHDX-UHFFFAOYSA-N -1 0 538.578 2.524 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000026578160 561802841 /nfs/dbraw/zinc/80/28/41/561802841.db2.gz GOQQMBMRNCMDQC-VUHWMDJISA-N -1 0 506.603 2.558 1 0 KFAFRM O=C(N[C@@H]1C[NH2+]C[C@@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])ccc3ccccc32)c(O)c1)c1ccc(O)cc1 ZINC000026578965 561804066 /nfs/dbraw/zinc/80/40/66/561804066.db2.gz OMMPHCNBAQGWDC-YKSBVNFPSA-N -1 0 528.517 2.820 1 0 KFAFRM O=C(N[C@H]1C[NH2+]C[C@@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])ccc3ccccc32)c(O)c1)c1ccc(O)cc1 ZINC000026578966 561804046 /nfs/dbraw/zinc/80/40/46/561804046.db2.gz OMMPHCNBAQGWDC-RDPSFJRHSA-N -1 0 528.517 2.820 1 0 KFAFRM O=C(N[C@H]1C[NH2+]C[C@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])ccc3ccccc32)c(O)c1)c1ccc(O)cc1 ZINC000026578967 561804043 /nfs/dbraw/zinc/80/40/43/561804043.db2.gz OMMPHCNBAQGWDC-GBXCKJPGSA-N -1 0 528.517 2.820 1 0 KFAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CO[P@](C)(=O)c1ccccc1 ZINC000026580343 561805911 /nfs/dbraw/zinc/80/59/11/561805911.db2.gz ULCFZQSGHFDDRB-OEHVXMOBSA-N -1 0 581.562 2.698 1 0 KFAFRM NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(C[P@@](=O)([O-])O)cc2)NC(=O)C[C@@H](Cc2cccc3ccccc32)CNC1=O ZINC000026638459 561806189 /nfs/dbraw/zinc/80/61/89/561806189.db2.gz VVFFVOVDUTZPET-FRDKBHKLSA-N -1 0 705.749 2.623 1 0 KFAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)cccc1F ZINC000026642288 561806685 /nfs/dbraw/zinc/80/66/85/561806685.db2.gz ZHCWWOOIEILUBJ-URXFXBBRSA-N -1 0 555.534 2.805 1 0 KFAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(I)cc1F)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026644930 561807181 /nfs/dbraw/zinc/80/71/81/561807181.db2.gz OTECDVMWJBHNTA-YWZLYKJASA-N -1 0 685.340 2.674 1 0 KFAFRM CC(C)CCCCCNC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F)C(C)C ZINC000026646878 561807655 /nfs/dbraw/zinc/80/76/55/561807655.db2.gz QICYITYSEWVMTM-JTSKRJEESA-N -1 0 577.572 2.624 1 0 KFAFRM CC(C)[C@H](NC(=O)C(=O)NCc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026650897 561808340 /nfs/dbraw/zinc/80/83/40/561808340.db2.gz QBECUNYDIMMBJO-CPJSRVTESA-N -1 0 605.541 2.761 1 0 KFAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1I)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026652225 561808609 /nfs/dbraw/zinc/80/86/09/561808609.db2.gz HIYKUVSVYJWQSQ-YWZLYKJASA-N -1 0 667.350 2.535 1 0 KFAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Br)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026652230 561808582 /nfs/dbraw/zinc/80/85/82/561808582.db2.gz CRXIPRWVEVJYQK-YWZLYKJASA-N -1 0 620.350 2.692 1 0 KFAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1 ZINC000026653134 561808720 /nfs/dbraw/zinc/80/87/20/561808720.db2.gz PABZSOUNSSUXIN-VSPOGIRPSA-N -1 0 537.657 2.816 1 0 KFAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026653657 561808861 /nfs/dbraw/zinc/80/88/61/561808861.db2.gz CWPCXTXIKFDSTN-YWZLYKJASA-N -1 0 575.899 2.583 1 0 KFAFRM CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000026661477 561810377 /nfs/dbraw/zinc/81/03/77/561810377.db2.gz JEXNNMXHZMJCBZ-JLZPKONASA-N -1 0 580.682 2.635 1 0 KFAFRM CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)[O-])C(N)=O)cc1 ZINC000026730524 561816674 /nfs/dbraw/zinc/81/66/74/561816674.db2.gz RSINYDAOMFPBJI-GZENYTQFSA-N -1 0 690.842 2.678 1 0 KFAFRM CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C)C(=O)[O-] ZINC000026732288 561816762 /nfs/dbraw/zinc/81/67/62/561816762.db2.gz RDAIGAUEFVSTIL-KWVPQOFUSA-N -1 0 529.678 2.961 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1 ZINC000026733073 561816924 /nfs/dbraw/zinc/81/69/24/561816924.db2.gz AOMOJQKAHRHJLR-DTXPUJKBSA-N -1 0 682.686 2.909 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000026734931 561817303 /nfs/dbraw/zinc/81/73/03/561817303.db2.gz WPLFYWZOONACTN-RHFBVIABSA-N -1 0 682.778 2.656 1 0 KFAFRM CO[C@H]1[C@H](C)O[C@@H](Oc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2C)[C@H](O)[C@@H]1OC(=O)c1ccc(C)[nH]1 ZINC000026736127 561817494 /nfs/dbraw/zinc/81/74/94/561817494.db2.gz DQTQYVJSYTVISZ-IEUOPQEVSA-N -1 0 529.542 2.789 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCCCCCn1cnc2c1ncnc2N(C)C)[C@@H](C)CC)C(=O)[O-] ZINC000026740361 561818008 /nfs/dbraw/zinc/81/80/08/561818008.db2.gz NPKZFAHIJBWONN-VUBDRERZSA-N -1 0 616.764 2.810 1 0 KFAFRM CCOC(=O)c1sc([N-]c2nc3ncn(CC)c3c(NCc3ccc(S(N)(=O)=O)cc3)n2)nc1C ZINC000026744704 561818652 /nfs/dbraw/zinc/81/86/52/561818652.db2.gz QNLOLWMFEMGKAI-UHFFFAOYSA-N -1 0 516.609 2.791 1 0 KFAFRM CCOC(=O)c1sc([N-]c2nc3c(ncn3CC)c(NCc3ccc(S(N)(=O)=O)cc3)n2)nc1C ZINC000026747580 561819173 /nfs/dbraw/zinc/81/91/73/561819173.db2.gz BTADKUGGGUCABZ-UHFFFAOYSA-N -1 0 516.609 2.791 1 0 KFAFRM COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCO)c3c2OC(F)F)CC1 ZINC000026825494 561821832 /nfs/dbraw/zinc/82/18/32/561821832.db2.gz XAZQGJJEMQKGKP-UHFFFAOYSA-N -1 0 507.465 2.768 1 0 KFAFRM COC(=O)Oc1cccc(C(=O)N(C)CCCN(CC(=O)[O-])C(=O)c2cccc(OC(=O)OC)c2OC(=O)OC)c1OC(=O)OC ZINC000026826844 561822132 /nfs/dbraw/zinc/82/21/32/561822132.db2.gz HSYGETJZAXYSQX-UHFFFAOYSA-N -1 0 650.546 2.957 1 0 KFAFRM O=C([O-])[C@H]1O[C@@H](Oc2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(I)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000026838576 561825046 /nfs/dbraw/zinc/82/50/46/561825046.db2.gz RMTUECFMQDHMOA-ADEYADIWSA-N -1 0 693.462 2.919 1 0 KFAFRM O=C([O-])[C@H]1O[C@H](Oc2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(I)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000026838580 561825033 /nfs/dbraw/zinc/82/50/33/561825033.db2.gz RMTUECFMQDHMOA-GPJXSLHSSA-N -1 0 693.462 2.919 1 0 KFAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(O[C@@H](C(=O)[O-])C(=O)NC2CC2)cc1)NC(=O)OC(C)(C)C ZINC000026850746 561827175 /nfs/dbraw/zinc/82/71/75/561827175.db2.gz DMGOTRJCWDJSQX-ATIYNZHBSA-N -1 0 643.690 2.701 1 0 KFAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(O[C@H](C(=O)[O-])C(=O)NC2CC2)cc1)NC(=O)OC(C)(C)C ZINC000026850760 561827167 /nfs/dbraw/zinc/82/71/67/561827167.db2.gz DMGOTRJCWDJSQX-GJZUVCINSA-N -1 0 643.690 2.701 1 0 KFAFRM C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026942179 561828193 /nfs/dbraw/zinc/82/81/93/561828193.db2.gz VIQUXTOZCMLIBK-DYVFJYSZSA-N -1 0 525.341 2.994 1 0 KFAFRM COC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026956604 561829244 /nfs/dbraw/zinc/82/92/44/561829244.db2.gz SAPZAAMIZAXLPX-GJZGRUSLSA-N -1 0 531.370 2.708 1 0 KFAFRM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CN1CCCCS1(=O)=O ZINC000026978967 561831172 /nfs/dbraw/zinc/83/11/72/561831172.db2.gz IUHPLTLPROXJSB-TVZXLZGTSA-N -1 0 551.706 2.738 1 0 KFAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)c1nc(-c2ccccc2)c[nH]1 ZINC000026989629 561832358 /nfs/dbraw/zinc/83/23/58/561832358.db2.gz XPTGPWQMRAYLGF-XZOYJPPVSA-N -1 0 563.611 2.675 1 0 KFAFRM CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1ccccc1)NC(=O)CSc1nnc(N)s1 ZINC000026992024 561832657 /nfs/dbraw/zinc/83/26/57/561832657.db2.gz DNLUGAXTRBSIML-NZSAHSFTSA-N -1 0 568.791 2.568 1 0 KFAFRM CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1ccccc1)NC(=O)CSc1nnc(N)s1 ZINC000026992031 561832626 /nfs/dbraw/zinc/83/26/26/561832626.db2.gz DNLUGAXTRBSIML-YTQUADARSA-N -1 0 568.791 2.568 1 0 KFAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)c1ncc(-c2ccccc2)o1 ZINC000027076820 561834401 /nfs/dbraw/zinc/83/44/01/561834401.db2.gz VIDMDSAEBJOREI-XZOYJPPVSA-N -1 0 564.595 2.940 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000027079060 561834700 /nfs/dbraw/zinc/83/47/00/561834700.db2.gz VJGKWMZBCANVTK-LPHOPBHVSA-N -1 0 530.528 2.875 1 0 KFAFRM C[C@@H]1Cn2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c(c32)S1 ZINC000027089818 561837064 /nfs/dbraw/zinc/83/70/64/561837064.db2.gz IBRKSZPHBWKBPS-CYBMUJFWSA-N -1 0 521.567 2.983 1 0 KFAFRM C[C@H]1Cn2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c(c32)S1 ZINC000027089824 561837094 /nfs/dbraw/zinc/83/70/94/561837094.db2.gz IBRKSZPHBWKBPS-ZDUSSCGKSA-N -1 0 521.567 2.983 1 0 KFAFRM O=C([O-])[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000027091134 561837247 /nfs/dbraw/zinc/83/72/47/561837247.db2.gz GJYOJSWAESZIKG-PUHABZHSSA-N -1 0 664.546 2.930 1 0 KFAFRM COc1ccc(CCNC(=O)[C@@H](CC(=O)[O-])NC(=O)CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1 ZINC000027103960 561839576 /nfs/dbraw/zinc/83/95/76/561839576.db2.gz KSNGUQYDXASGHN-FIRIVFDPSA-N -1 0 655.752 2.661 1 0 KFAFRM CC(=O)N[C@H](Cc1ccc(C(F)(F)C(=O)[O-])cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc32)CCCCC1 ZINC000027105162 561839801 /nfs/dbraw/zinc/83/98/01/561839801.db2.gz ZQCBHKMISVQNEE-IHLOFXLRSA-N -1 0 707.775 2.992 1 0 KFAFRM CC(=O)Nc1cccc(OCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)COc2cccc3ccccc32)C(C)C)c1 ZINC000027179116 561841510 /nfs/dbraw/zinc/84/15/10/561841510.db2.gz UWYZOTNRZFCQAN-OUTSHDOLSA-N -1 0 563.607 2.925 1 0 KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000027180075 561841633 /nfs/dbraw/zinc/84/16/33/561841633.db2.gz SYVJWTKYIPWDIK-CUNXSJBXSA-N -1 0 506.555 2.967 1 0 KFAFRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027181886 561841886 /nfs/dbraw/zinc/84/18/86/561841886.db2.gz YJPQVTKXGCBSPW-DZUOILHNSA-N -1 0 692.814 2.793 1 0 KFAFRM O=C(NCNc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000027211552 561847322 /nfs/dbraw/zinc/84/73/22/561847322.db2.gz RHAAEOXMRMYULG-UHFFFAOYSA-N -1 0 503.544 2.724 1 0 KFAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)N[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000027300244 561848909 /nfs/dbraw/zinc/84/89/09/561848909.db2.gz SWCNAUZRMGDSGP-KCHLEUMXSA-N -1 0 583.689 2.806 1 0 KFAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@]3(C2)C[C@@H](CNc2ccccn2)N(C(=O)OCc2ccccc2)C3)C(=O)[O-])c(C)c1 ZINC000027304129 561849376 /nfs/dbraw/zinc/84/93/76/561849376.db2.gz IBXMYCNAAVLIET-SUPILHGUSA-N -1 0 678.768 2.893 1 0 KFAFRM CCCCOC(=O)N1C[C@@]2(CC(C(=O)NC[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)C(=O)[O-])=NO2)C[C@H]1CNc1nc2ccccc2[nH]1 ZINC000027305574 561849597 /nfs/dbraw/zinc/84/95/97/561849597.db2.gz KTSCJCLXFWHLBQ-QKNIWELYSA-N -1 0 683.788 2.974 1 0 KFAFRM CC(C)C[C@@H]1CC(=O)N(c2ccc(C[C@H](NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)C1=O ZINC000027310558 561850584 /nfs/dbraw/zinc/85/05/84/561850584.db2.gz RBEBHTTXTRLDHD-NHTMILBNSA-N -1 0 519.598 2.915 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000027311354 561850783 /nfs/dbraw/zinc/85/07/83/561850783.db2.gz QVXKEVCSWQRIDQ-ZEQRLZLVSA-N -1 0 511.534 2.790 1 0 KFAFRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC(=O)[O-])C1=O)C2 ZINC000027313388 561851248 /nfs/dbraw/zinc/85/12/48/561851248.db2.gz OCWCDHONYNOIKO-WOIMOHSLSA-N -1 0 543.686 2.840 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(N2C(=O)Cc3ccccc3C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000027315049 561851402 /nfs/dbraw/zinc/85/14/02/561851402.db2.gz FJRZROFSQHKYGT-DQEYMECFSA-N -1 0 525.561 2.719 1 0 KFAFRM O=C([O-])[C@H](CNC(=O)C1=NO[C@@H](CCCCNc2ccccn2)C1)NS(=O)(=O)c1cccc2ccccc21 ZINC000027316642 561851765 /nfs/dbraw/zinc/85/17/65/561851765.db2.gz QSLIIULVEYKKMJ-UGKGYDQZSA-N -1 0 539.614 2.510 1 0 KFAFRM O=C([O-])[C@H](CNC(=O)C1=NO[C@H](CCCCNc2ccccn2)C1)NS(=O)(=O)c1cccc2ccccc21 ZINC000027316649 561851726 /nfs/dbraw/zinc/85/17/26/561851726.db2.gz QSLIIULVEYKKMJ-KNQAVFIVSA-N -1 0 539.614 2.510 1 0 KFAFRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@@H](CC(=O)[O-])C1=O)C2 ZINC000027317894 561852086 /nfs/dbraw/zinc/85/20/86/561852086.db2.gz XLNHXLDLVRTYBV-YCOUAJEISA-N -1 0 543.686 2.886 1 0 KFAFRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@H](CC(=O)[O-])C1=O)C2 ZINC000027317899 561852048 /nfs/dbraw/zinc/85/20/48/561852048.db2.gz XLNHXLDLVRTYBV-OEYPQALGSA-N -1 0 543.686 2.886 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(N2C(=O)C[C@H](c3ccc(O)cc3)C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000027318511 561852188 /nfs/dbraw/zinc/85/21/88/561852188.db2.gz INUDDRIICKNGOP-ZNZIZOMTSA-N -1 0 555.587 2.742 1 0 KFAFRM COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1 ZINC000027326158 561853758 /nfs/dbraw/zinc/85/37/58/561853758.db2.gz GEQVJEQASIQKRF-VQUCDYTQSA-N -1 0 563.603 2.693 1 0 KFAFRM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(N)=O)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027327407 561853888 /nfs/dbraw/zinc/85/38/88/561853888.db2.gz PYYFASWNOTXKCA-UHFFFAOYSA-N -1 0 701.802 2.917 1 0 KFAFRM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027328817 561854299 /nfs/dbraw/zinc/85/42/99/561854299.db2.gz HOOZDGBBITXVTG-UHFFFAOYSA-N -1 0 667.785 2.576 1 0 KFAFRM CCCCCC(=O)N(CC(=O)N(CC(=O)N(CC)CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027329021 561854415 /nfs/dbraw/zinc/85/44/15/561854415.db2.gz VEZNCBHCOQYDNK-UHFFFAOYSA-N -1 0 667.785 2.576 1 0 KFAFRM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027329060 561854434 /nfs/dbraw/zinc/85/44/34/561854434.db2.gz XSIHRSDNQZYJHO-UHFFFAOYSA-N -1 0 701.802 2.917 1 0 KFAFRM CCCCCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC)CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027329273 561854462 /nfs/dbraw/zinc/85/44/62/561854462.db2.gz YMOWUWAKMGKISK-UHFFFAOYSA-N -1 0 667.785 2.576 1 0 KFAFRM CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027329676 561854526 /nfs/dbraw/zinc/85/45/26/561854526.db2.gz BEYIGOWWCIPASX-UHFFFAOYSA-N -1 0 701.802 2.917 1 0 KFAFRM CC(=O)NC[C@H]1CN(c2ccc(O[C@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1 ZINC000027418315 561857302 /nfs/dbraw/zinc/85/73/02/561857302.db2.gz QBBBKUPDYAMFCA-ROUUACIJSA-N -1 0 583.548 2.827 1 0 KFAFRM CC(=O)NC[C@H]1CN(c2ccc(N[C@@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1 ZINC000027422448 561857844 /nfs/dbraw/zinc/85/78/44/561857844.db2.gz BPOMCFNQRHWKEF-QAPCUYQASA-N -1 0 582.564 2.860 1 0 KFAFRM CC(=O)NC[C@H]1CN(c2ccc(O[C@@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1 ZINC000027423900 561858130 /nfs/dbraw/zinc/85/81/30/561858130.db2.gz QBBBKUPDYAMFCA-MSOLQXFVSA-N -1 0 583.548 2.827 1 0 KFAFRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000027434449 561859842 /nfs/dbraw/zinc/85/98/42/561859842.db2.gz VNMVAZJIAINVLF-HYORAKBMSA-N -1 0 741.952 2.799 1 0 KFAFRM CCCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000027438473 561860473 /nfs/dbraw/zinc/86/04/73/561860473.db2.gz YZBDIFXFTYWUEW-XMMDVVFZSA-N -1 0 707.935 2.747 1 0 KFAFRM NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1 ZINC000027518920 561862833 /nfs/dbraw/zinc/86/28/33/561862833.db2.gz WEYCCIGSMAIAHG-UHFFFAOYSA-N -1 0 557.500 2.631 1 0 KFAFRM COc1cccc([C@H]2O[C@H](CC(=O)NCC(=O)[O-])C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC ZINC000027522092 561864338 /nfs/dbraw/zinc/86/43/38/561864338.db2.gz CONNCFGSWRVAOP-NFBKMPQASA-N -1 0 534.993 2.788 1 0 in-vitro KFAFRM CCC[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027522122 561864389 /nfs/dbraw/zinc/86/43/89/561864389.db2.gz ZMALSGOXKJVYAU-UKJMRWJMSA-N -1 0 704.825 2.793 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-] ZINC000027524441 561865693 /nfs/dbraw/zinc/86/56/93/561865693.db2.gz FQNUHXFUIXFXDG-VWEWRVINSA-N -1 0 545.718 2.981 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-] ZINC000027524442 561865666 /nfs/dbraw/zinc/86/56/66/561865666.db2.gz FQNUHXFUIXFXDG-LXIBVNSESA-N -1 0 545.718 2.981 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-] ZINC000027524443 561865722 /nfs/dbraw/zinc/86/57/22/561865722.db2.gz FQNUHXFUIXFXDG-BHNQRHOYSA-N -1 0 545.718 2.981 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-] ZINC000027524444 561865706 /nfs/dbraw/zinc/86/57/06/561865706.db2.gz FQNUHXFUIXFXDG-RVEDGADZSA-N -1 0 545.718 2.981 1 0 KFAFRM O=C([O-])CSc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](Nc4cc[n+](Cc5ccccc5)cc4)[C@H]3SC2)s1 ZINC000027525128 561865927 /nfs/dbraw/zinc/86/59/27/561865927.db2.gz WQSLEPCQIQBHQH-WIYYLYMNSA-O -1 0 588.738 2.877 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-] ZINC000027525885 561866138 /nfs/dbraw/zinc/86/61/38/561866138.db2.gz QJVBGGFSEUUFEP-KPKYYQPRSA-N -1 0 501.665 2.823 1 0 KFAFRM CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000027525988 561866158 /nfs/dbraw/zinc/86/61/58/561866158.db2.gz KWISOMZJDLWXAZ-JOCHJYFZSA-N -1 0 587.641 2.500 1 0 KFAFRM CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](c2cn(CC(=O)[O-])c3ccccc3c2=O)NC1=O ZINC000027552213 561868146 /nfs/dbraw/zinc/86/81/46/561868146.db2.gz XGEXIFZCHVEMIS-PYXIGVGOSA-N -1 0 665.788 2.583 1 0 KFAFRM Cc1oc(=O)oc1COC(=O)N1CCC(CC[C@@H]2CCCN(CC(=O)C[C@H](C)CC(=O)[O-])C2=O)CC1 ZINC000027552754 561868514 /nfs/dbraw/zinc/86/85/14/561868514.db2.gz NEIFWIHJBBANLD-LPHOPBHVSA-N -1 0 508.568 2.979 1 0 KFAFRM Cc1c(CNc2ccc(C(=O)N[C@@H](CCCNC(=O)c3ccccc3C(=O)[O-])C(=O)[O-])cc2)ccc2[nH+]c(N)nc(N)c12 ZINC000027563052 561871219 /nfs/dbraw/zinc/87/12/19/561871219.db2.gz KKVLRIBCTVENJO-QHCPKHFHSA-N -1 0 585.621 2.806 1 0 KFAFRM Cc1c(CNc2ccc(C(=O)N[C@H](CCCNC(=O)c3ccccc3C(=O)[O-])C(=O)[O-])cc2)ccc2[nH+]c(N)nc(N)c12 ZINC000027563055 561871203 /nfs/dbraw/zinc/87/12/03/561871203.db2.gz KKVLRIBCTVENJO-HSZRJFAPSA-N -1 0 585.621 2.806 1 0 KFAFRM CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027563155 561871211 /nfs/dbraw/zinc/87/12/11/561871211.db2.gz YXOOYMGXDFIVOI-HOLBEBDISA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027563316 561871356 /nfs/dbraw/zinc/87/13/56/561871356.db2.gz XBQMARLCINVHEM-HSNHEXMOSA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000027563319 561871384 /nfs/dbraw/zinc/87/13/84/561871384.db2.gz XBQMARLCINVHEM-GDZXGLFHSA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027563504 561871403 /nfs/dbraw/zinc/87/14/03/561871403.db2.gz YXOOYMGXDFIVOI-KULMNKMISA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027618662 561872132 /nfs/dbraw/zinc/87/21/32/561872132.db2.gz YXOOYMGXDFIVOI-BSULFMODSA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027618667 561872135 /nfs/dbraw/zinc/87/21/35/561872135.db2.gz YXOOYMGXDFIVOI-GDZXGLFHSA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027618672 561872114 /nfs/dbraw/zinc/87/21/14/561872114.db2.gz YXOOYMGXDFIVOI-DAUHHZGYSA-N -1 0 692.814 2.697 1 0 KFAFRM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(CC(=O)[O-])c2)c(I)c1)C(=O)[O-] ZINC000027620127 561872368 /nfs/dbraw/zinc/87/23/68/561872368.db2.gz QRVFKYZEMHDDRV-ZDUSSCGKSA-N -1 0 583.116 2.975 1 0 KFAFRM [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(CC(=O)[O-])c2)c(I)c1)C(=O)[O-] ZINC000027620132 561872393 /nfs/dbraw/zinc/87/23/93/561872393.db2.gz QRVFKYZEMHDDRV-CYBMUJFWSA-N -1 0 583.116 2.975 1 0 KFAFRM CC(C)[C@@H](NC(=O)COc1ccc(OCC(=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nc2ccccc2o1)C(C)C ZINC000027628689 561873453 /nfs/dbraw/zinc/87/34/53/561873453.db2.gz AKNLWQANUWDRHX-MXSCXNJPSA-N -1 0 622.675 2.826 1 0 KFAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)COc1ccccc1OCC(=O)[O-])C(C)C)C(=O)c1nc2ccccc2o1 ZINC000027639546 561875168 /nfs/dbraw/zinc/87/51/68/561875168.db2.gz WRVGSOVQMBSZEJ-NUKCWJJBSA-N -1 0 622.675 2.826 1 0 KFAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)COC(=O)c1ccc(OCC(=O)[O-])cc1)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000027644057 561875543 /nfs/dbraw/zinc/87/55/43/561875543.db2.gz FQKMMETXLGNJLZ-RNCAPKPVSA-N -1 0 650.685 2.604 1 0 KFAFRM CO[C@@]12O[C@@H]3[C@@H](COCC(C)C)O[C@@H](OCC(=O)[O-])[C@@H](OCCO)[C@H]3O[C@@]1(OC)c1ccccc1-c1ccccc12 ZINC000027645669 561875801 /nfs/dbraw/zinc/87/58/01/561875801.db2.gz ADYXZYMUMNSMBV-DMZGGTJFSA-N -1 0 574.623 2.626 1 0 KFAFRM CO[C@@]12O[C@@H]3[C@@H](COCC(C)C)O[C@H](OCC(=O)[O-])[C@@H](OCCO)[C@H]3O[C@@]1(OC)c1ccccc1-c1ccccc12 ZINC000027645676 561875791 /nfs/dbraw/zinc/87/57/91/561875791.db2.gz ADYXZYMUMNSMBV-CHTKFXFHSA-N -1 0 574.623 2.626 1 0 KFAFRM CO[C@]12CCCC[C@]1(OC)O[C@@H]1[C@@H](OCc3ccccc3)[C@H](OCC(=O)[O-])O[C@H](COC(C)C)[C@@H]1O2 ZINC000027646688 561875903 /nfs/dbraw/zinc/87/59/03/561875903.db2.gz BSYUFSNEZMSCSY-XOEXTVOSSA-N -1 0 510.580 2.866 1 0 KFAFRM CO[C@]12CCCC[C@]1(OC)O[C@@H]1[C@@H](OCc3ccccc3)[C@H](OCC(=O)[O-])O[C@H](COC(C)C)[C@H]1O2 ZINC000027646699 561875902 /nfs/dbraw/zinc/87/59/02/561875902.db2.gz BSYUFSNEZMSCSY-IEAAZJRNSA-N -1 0 510.580 2.866 1 0 KFAFRM Cc1cc(C)c(NS(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(cnn3CCCNc3ccccn3)c2)C(=O)[O-])c(C)c1 ZINC000027651852 561876684 /nfs/dbraw/zinc/87/66/84/561876684.db2.gz AYBNQLHFGXERNM-QHCPKHFHSA-N -1 0 579.683 2.988 1 0 KFAFRM CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(=O)[O-])C(=O)NCC(C)C ZINC000027657954 561878337 /nfs/dbraw/zinc/87/83/37/561878337.db2.gz KWRXVLZWXUNSLX-SBFWRKJZSA-N -1 0 519.683 2.659 1 0 KFAFRM Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCC(=O)[O-])C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000027705482 561878645 /nfs/dbraw/zinc/87/86/45/561878645.db2.gz IWKYVSUTCYJGFG-FWGANANOSA-N -1 0 712.866 2.897 1 0 KFAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)CCC(=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000027708275 561879161 /nfs/dbraw/zinc/87/91/61/561879161.db2.gz TWAAJRKTMQISEL-UTTLJGBZSA-N -1 0 500.456 2.522 1 0 KFAFRM CS(=O)(=O)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000027709991 561879569 /nfs/dbraw/zinc/87/95/69/561879569.db2.gz WFNCDDGCGNUXLG-MOPGFXCFSA-N -1 0 549.454 2.882 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000027843476 561885258 /nfs/dbraw/zinc/88/52/58/561885258.db2.gz ULLAZOQXJHYBMN-NPWUYRIISA-N -1 0 561.582 2.849 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000027843486 561885307 /nfs/dbraw/zinc/88/53/07/561885307.db2.gz ULLAZOQXJHYBMN-GCBQAYLCSA-N -1 0 561.582 2.849 1 0 KFAFRM CCCn1c2[nH]c(-c3ccc(OCC(=O)[O-])cc3)nc2c(=O)n(CCc2ccc(N)c(I)c2)c1=O ZINC000027850330 561885916 /nfs/dbraw/zinc/88/59/16/561885916.db2.gz GBBLXNAVPKQMTG-UHFFFAOYSA-N -1 0 589.390 2.856 1 0 KFAFRM CCCn1c2[nH]c(-c3ccc(OCC(=O)[O-])cc3)nc2c(=O)n(Cc2ccc(N)c(I)c2)c1=O ZINC000027850354 561885995 /nfs/dbraw/zinc/88/59/95/561885995.db2.gz MMUQMGJPHOIRRP-UHFFFAOYSA-N -1 0 575.363 2.662 1 0 KFAFRM COc1ccc(C(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)c(OC)n1 ZINC000027852717 561886233 /nfs/dbraw/zinc/88/62/33/561886233.db2.gz YEIXEKIUHATHCQ-GOTSBHOMSA-N -1 0 546.580 2.654 1 0 KFAFRM COc1ccc(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)c(OC)n1 ZINC000027852726 561886231 /nfs/dbraw/zinc/88/62/31/561886231.db2.gz YEIXEKIUHATHCQ-XZOQPEGZSA-N -1 0 546.580 2.654 1 0 KFAFRM CC(C)c1cc([O-])cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(S(=O)(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O ZINC000027853467 561886352 /nfs/dbraw/zinc/88/63/52/561886352.db2.gz DDPUNWIHQJWEDJ-UHFFFAOYSA-N -1 0 606.506 2.718 1 0 KFAFRM CCCn1c(=O)c2nc(-c3ccc(OCC(=O)[O-])cc3)[nH]c2n(CCc2ccc(N)c(I)c2)c1=O ZINC000027854702 561886489 /nfs/dbraw/zinc/88/64/89/561886489.db2.gz FDRHECYWNARKHY-UHFFFAOYSA-N -1 0 589.390 2.856 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)C(N)=O ZINC000027867151 561887828 /nfs/dbraw/zinc/88/78/28/561887828.db2.gz CPEGVGOUYIEOQS-KCPYNUOSSA-N -1 0 678.787 2.512 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](Cc1ccccc1)C(N)=O ZINC000027868852 561887948 /nfs/dbraw/zinc/88/79/48/561887948.db2.gz HMEWQBFEWGWBCP-BRKVKBHOSA-N -1 0 678.787 2.512 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)C(N)=O ZINC000027868858 561888118 /nfs/dbraw/zinc/88/81/18/561888118.db2.gz HMEWQBFEWGWBCP-AOGFTHLWSA-N -1 0 678.787 2.512 1 0 KFAFRM CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000027874534 561888575 /nfs/dbraw/zinc/88/85/75/561888575.db2.gz YTZTWGOTWKLHCE-FDFHNCONSA-N -1 0 507.524 2.664 1 0 KFAFRM Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)[C@H](C)C(=O)[O-])CSC1(C)C ZINC000027889807 561889828 /nfs/dbraw/zinc/88/98/28/561889828.db2.gz BXHRMSBTPLAJCU-GGOXTKCOSA-N -1 0 569.724 2.737 1 0 KFAFRM Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)[C@@H](C)C(=O)[O-])CSC1(C)C ZINC000027889815 561889810 /nfs/dbraw/zinc/88/98/10/561889810.db2.gz BXHRMSBTPLAJCU-BUGIRRBRSA-N -1 0 569.724 2.737 1 0 KFAFRM Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)[C@H](C)C(=O)[O-])CSC1(C)C ZINC000027889823 561889840 /nfs/dbraw/zinc/88/98/40/561889840.db2.gz BXHRMSBTPLAJCU-YHZVTLNSSA-N -1 0 569.724 2.737 1 0 KFAFRM Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CSC1(C)C ZINC000027889832 561889839 /nfs/dbraw/zinc/88/98/39/561889839.db2.gz BXHRMSBTPLAJCU-VLNNBNGDSA-N -1 0 569.724 2.737 1 0 KFAFRM O=C([O-])C1=C(COC(=O)c2cn(-c3ccc(F)cc3)c3cc4c(cc3c2=O)OCO4)CS[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12 ZINC000027980959 561891722 /nfs/dbraw/zinc/89/17/22/561891722.db2.gz BWSNBCNWRJPTLJ-JOMNFKBKSA-N -1 0 673.631 2.833 1 0 KFAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@@H]3SC2)c(=O)c2cc(F)c(N3CCSCC3)cc21 ZINC000027984226 561892044 /nfs/dbraw/zinc/89/20/44/561892044.db2.gz JQWIGOVLDXIWPY-VIZCGCQYSA-N -1 0 682.752 2.688 1 0 KFAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3SC2)c(=O)c2cc(F)c(N3CCSCC3)cc21 ZINC000027984232 561892082 /nfs/dbraw/zinc/89/20/82/561892082.db2.gz JQWIGOVLDXIWPY-PDDLMNHVSA-N -1 0 682.752 2.688 1 0 KFAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@@H]3SC2)c(=O)c2cc(F)c(-n3cccc3)cc21 ZINC000027985390 561892258 /nfs/dbraw/zinc/89/22/58/561892258.db2.gz LZWBZOINZXOVEQ-VIZCGCQYSA-N -1 0 646.653 2.926 1 0 KFAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3SC2)c(=O)c2cc(F)c(-n3cccc3)cc21 ZINC000027985396 561892215 /nfs/dbraw/zinc/89/22/15/561892215.db2.gz LZWBZOINZXOVEQ-PDDLMNHVSA-N -1 0 646.653 2.926 1 0 KFAFRM CCn1cc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@@H]3SC2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000027987218 561892314 /nfs/dbraw/zinc/89/23/14/561892314.db2.gz KAKULFVMDUQZEX-VIZCGCQYSA-N -1 0 650.685 2.735 1 0 KFAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCS(=O)(=O)CC2)C(=O)[O-])cc1 ZINC000027989404 561892817 /nfs/dbraw/zinc/89/28/17/561892817.db2.gz SQQCECFUGOZGKP-DEOSSOPVSA-N -1 0 571.673 2.895 1 0 KFAFRM CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)[O-] ZINC000027996453 561893898 /nfs/dbraw/zinc/89/38/98/561893898.db2.gz YECRHLDUXBKSFB-TUSQITKMSA-N -1 0 518.614 2.798 1 0 KFAFRM CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)[O-] ZINC000027996933 561893884 /nfs/dbraw/zinc/89/38/84/561893884.db2.gz YAZSUPVBBKIOLR-TUSQITKMSA-N -1 0 518.614 2.654 1 0 KFAFRM CCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)[O-] ZINC000028000981 561894724 /nfs/dbraw/zinc/89/47/24/561894724.db2.gz AAAFGBNICGQDQE-IGKWTDBASA-N -1 0 504.587 2.870 1 0 KFAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000028009352 561896094 /nfs/dbraw/zinc/89/60/94/561896094.db2.gz UUTDVHMSEUUXBC-XZOQPEGZSA-N -1 0 527.666 2.797 1 0 KFAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000028010522 561896264 /nfs/dbraw/zinc/89/62/64/561896264.db2.gz IAVPOQNSQQEGQF-GPJHCHHRSA-N -1 0 636.693 2.534 1 0 KFAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000028010527 561896234 /nfs/dbraw/zinc/89/62/34/561896234.db2.gz IAVPOQNSQQEGQF-ACESQOTJSA-N -1 0 636.693 2.534 1 0 KFAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000028010532 561896284 /nfs/dbraw/zinc/89/62/84/561896284.db2.gz IAVPOQNSQQEGQF-MLCQCVOFSA-N -1 0 636.693 2.534 1 0 KFAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000028010537 561896273 /nfs/dbraw/zinc/89/62/73/561896273.db2.gz IAVPOQNSQQEGQF-LDVJMBRRSA-N -1 0 636.693 2.534 1 0 KFAFRM CCS(=O)(=O)NCCOc1nc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC ZINC000028013477 561896820 /nfs/dbraw/zinc/89/68/20/561896820.db2.gz VKVKIDBOTDIUCJ-UHFFFAOYSA-N -1 0 563.658 2.977 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)Cn1ccccc1=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013660 561896880 /nfs/dbraw/zinc/89/68/80/561896880.db2.gz HRJATFCSISMPNO-ZEQRLZLVSA-N -1 0 556.575 2.595 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)Cn1ccccc1=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013666 561896822 /nfs/dbraw/zinc/89/68/22/561896822.db2.gz HRJATFCSISMPNO-BJKOFHAPSA-N -1 0 556.575 2.595 1 0 KFAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)Cn1ccccc1=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013670 561896853 /nfs/dbraw/zinc/89/68/53/561896853.db2.gz HRJATFCSISMPNO-RPWUZVMVSA-N -1 0 556.575 2.595 1 0 KFAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)Cn1ccccc1=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013675 561896846 /nfs/dbraw/zinc/89/68/46/561896846.db2.gz HRJATFCSISMPNO-DNQXCXABSA-N -1 0 556.575 2.595 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)Cn1ccc(=O)cc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013680 561896875 /nfs/dbraw/zinc/89/68/75/561896875.db2.gz RHCDMHMDOPYGMS-DQEYMECFSA-N -1 0 556.575 2.595 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)Cn1ccc(=O)cc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013685 561896848 /nfs/dbraw/zinc/89/68/48/561896848.db2.gz RHCDMHMDOPYGMS-LOSJGSFVSA-N -1 0 556.575 2.595 1 0 KFAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)Cn1ccc(=O)cc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013690 561896851 /nfs/dbraw/zinc/89/68/51/561896851.db2.gz RHCDMHMDOPYGMS-RPBOFIJWSA-N -1 0 556.575 2.595 1 0 KFAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)Cn1ccc(=O)cc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013695 561896878 /nfs/dbraw/zinc/89/68/78/561896878.db2.gz RHCDMHMDOPYGMS-JWQCQUIFSA-N -1 0 556.575 2.595 1 0 KFAFRM CCCC(=O)NCC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028018336 561897862 /nfs/dbraw/zinc/89/78/62/561897862.db2.gz UNVJMTSOZORVGT-DHIUTWEWSA-N -1 0 548.596 2.650 1 0 KFAFRM CCCC(=O)NCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028018341 561897876 /nfs/dbraw/zinc/89/78/76/561897876.db2.gz UNVJMTSOZORVGT-XZOQPEGZSA-N -1 0 548.596 2.650 1 0 KFAFRM CCCC(=O)NCC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028018346 561897831 /nfs/dbraw/zinc/89/78/31/561897831.db2.gz UNVJMTSOZORVGT-PKTZIBPZSA-N -1 0 548.596 2.650 1 0 KFAFRM CCCC(=O)NCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028018351 561897852 /nfs/dbraw/zinc/89/78/52/561897852.db2.gz UNVJMTSOZORVGT-GOTSBHOMSA-N -1 0 548.596 2.650 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028019951 561898207 /nfs/dbraw/zinc/89/82/07/561898207.db2.gz AHNAIKXYOWIWTK-ZEQRLZLVSA-N -1 0 564.664 2.782 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028019956 561898251 /nfs/dbraw/zinc/89/82/51/561898251.db2.gz AHNAIKXYOWIWTK-BJKOFHAPSA-N -1 0 564.664 2.782 1 0 KFAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028019960 561898266 /nfs/dbraw/zinc/89/82/66/561898266.db2.gz AHNAIKXYOWIWTK-RPWUZVMVSA-N -1 0 564.664 2.782 1 0 KFAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028019966 561898210 /nfs/dbraw/zinc/89/82/10/561898210.db2.gz AHNAIKXYOWIWTK-DNQXCXABSA-N -1 0 564.664 2.782 1 0 KFAFRM O=S(=O)([N-]S(=O)(=O)NCCc1cccc(C(F)(F)F)c1)NCCc1cccc(C(F)(F)F)c1 ZINC000028020612 561898400 /nfs/dbraw/zinc/89/84/00/561898400.db2.gz CFTKLXPIIWOJFY-UHFFFAOYSA-N -1 0 519.489 2.768 1 0 KFAFRM CCS(=O)(=O)NCCOc1nc(N2CCOCC2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC ZINC000028020781 561898453 /nfs/dbraw/zinc/89/84/53/561898453.db2.gz DNIIBGYNGASUDE-UHFFFAOYSA-N -1 0 636.753 2.751 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN(C)[C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028097610 561901077 /nfs/dbraw/zinc/90/10/77/561901077.db2.gz IRJIBRKSKOEJRL-AWCRTANDSA-N -1 0 639.709 2.762 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN(C)[C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028097615 561901118 /nfs/dbraw/zinc/90/11/18/561901118.db2.gz IRJIBRKSKOEJRL-NHKHRBQYSA-N -1 0 639.709 2.762 1 0 KFAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](Oc2ccnc3ccccc32)C[C@H]1C(=O)NC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028099063 561901226 /nfs/dbraw/zinc/90/12/26/561901226.db2.gz WJUBXTHMPZQWRK-VUFXOVIRSA-N -1 0 621.735 2.542 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028099801 561901392 /nfs/dbraw/zinc/90/13/92/561901392.db2.gz VYQPSHHDKCMIJM-ZEQRLZLVSA-N -1 0 532.597 2.829 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028099807 561901325 /nfs/dbraw/zinc/90/13/25/561901325.db2.gz VYQPSHHDKCMIJM-BJKOFHAPSA-N -1 0 532.597 2.829 1 0 KFAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028099814 561901376 /nfs/dbraw/zinc/90/13/76/561901376.db2.gz VYQPSHHDKCMIJM-RPWUZVMVSA-N -1 0 532.597 2.829 1 0 KFAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028099819 561901360 /nfs/dbraw/zinc/90/13/60/561901360.db2.gz VYQPSHHDKCMIJM-DNQXCXABSA-N -1 0 532.597 2.829 1 0 KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nnnn1-c1ccccc1 ZINC000028102284 561901765 /nfs/dbraw/zinc/90/17/65/561901765.db2.gz XYZHYIMFHBBTAK-CUNXSJBXSA-N -1 0 590.662 2.656 1 0 KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccnc(C(F)(F)F)n1 ZINC000028102692 561901969 /nfs/dbraw/zinc/90/19/69/561901969.db2.gz VJTVVZYQAMLVBG-UUOWRZLLSA-N -1 0 576.528 2.776 1 0 KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)ncn1 ZINC000028102703 561901927 /nfs/dbraw/zinc/90/19/27/561901927.db2.gz SRYFBRNDLUYGGQ-BVZFJXPGSA-N -1 0 576.528 2.776 1 0 KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1nccc(C(F)(F)F)n1 ZINC000028102712 561901956 /nfs/dbraw/zinc/90/19/56/561901956.db2.gz KSSIHOXJIQPAIG-UUOWRZLLSA-N -1 0 576.528 2.776 1 0 KFAFRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC000028104474 561902203 /nfs/dbraw/zinc/90/22/03/561902203.db2.gz WTDZUXIFYOBMCE-RCAZAQBQSA-N -1 0 500.617 2.842 1 0 KFAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](Oc2cccc(Br)c2)C[C@H]1C(=O)NC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028105083 561902204 /nfs/dbraw/zinc/90/22/04/561902204.db2.gz GMOZOGFYPFHVPE-ROHNOIKCSA-N -1 0 649.583 2.757 1 0 KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ncnc2ccccc21 ZINC000028110065 561902935 /nfs/dbraw/zinc/90/29/35/561902935.db2.gz XMXDNHAGEUQBRV-FIPFOOKPSA-N -1 0 558.591 2.910 1 0 KFAFRM Cc1ccc(S(=O)(=O)N(CC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000028110645 561903040 /nfs/dbraw/zinc/90/30/40/561903040.db2.gz OCSCTVALVXUXFU-KAYWLYCHSA-N -1 0 591.686 2.672 1 0 KFAFRM Cc1ccc(S(=O)(=O)N(CC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000028110653 561902997 /nfs/dbraw/zinc/90/29/97/561902997.db2.gz OCSCTVALVXUXFU-RRPNLBNLSA-N -1 0 591.686 2.672 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000028113496 561903404 /nfs/dbraw/zinc/90/34/04/561903404.db2.gz IXLOEMUNKMDCDV-HYJFEMIMSA-N -1 0 527.565 2.652 1 0 in-vivo KFAFRM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-] ZINC000028113502 561903406 /nfs/dbraw/zinc/90/34/06/561903406.db2.gz IXLOEMUNKMDCDV-LBKNJMOBSA-N -1 0 527.565 2.652 1 0 in-vivo KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1nc2ccccc2[nH]1 ZINC000028116036 561903780 /nfs/dbraw/zinc/90/37/80/561903780.db2.gz PEOYJKYGOFCKNT-CUNXSJBXSA-N -1 0 546.580 2.843 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O ZINC000028122487 561904544 /nfs/dbraw/zinc/90/45/44/561904544.db2.gz MBPKVWLXSMFUMN-OALUTQOASA-N -1 0 529.644 2.725 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O ZINC000028122494 561904614 /nfs/dbraw/zinc/90/46/14/561904614.db2.gz MBPKVWLXSMFUMN-RBUKOAKNSA-N -1 0 529.644 2.725 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O ZINC000028129890 561905587 /nfs/dbraw/zinc/90/55/87/561905587.db2.gz GEZSSSVQIGDDMR-PMACEKPBSA-N -1 0 527.603 2.565 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O ZINC000028129894 561905578 /nfs/dbraw/zinc/90/55/78/561905578.db2.gz GEZSSSVQIGDDMR-VQTJNVASSA-N -1 0 527.603 2.565 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NC[C@@H]2COc3ccccc3O2)c1=O ZINC000028132701 561906032 /nfs/dbraw/zinc/90/60/32/561906032.db2.gz BTAFTKGHXXQLHC-FSSWDIPSSA-N -1 0 580.663 2.908 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NC[C@@H]2COc3ccccc3O2)c1=O ZINC000028132708 561906010 /nfs/dbraw/zinc/90/60/10/561906010.db2.gz BTAFTKGHXXQLHC-BHIFYINESA-N -1 0 580.663 2.908 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NC[C@H]2COc3ccccc3O2)c1=O ZINC000028132717 561906016 /nfs/dbraw/zinc/90/60/16/561906016.db2.gz BTAFTKGHXXQLHC-FKBYEOEOSA-N -1 0 580.663 2.908 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NC[C@H]2COc3ccccc3O2)c1=O ZINC000028132724 561906017 /nfs/dbraw/zinc/90/60/17/561906017.db2.gz BTAFTKGHXXQLHC-FDFHNCONSA-N -1 0 580.663 2.908 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O ZINC000028133607 561906141 /nfs/dbraw/zinc/90/61/41/561906141.db2.gz VIKAKOARTUQKPC-VXKWHMMOSA-N -1 0 554.673 2.582 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O ZINC000028133613 561906207 /nfs/dbraw/zinc/90/62/07/561906207.db2.gz VIKAKOARTUQKPC-FCHUYYIVSA-N -1 0 554.673 2.582 1 0 KFAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O ZINC000028137469 561906955 /nfs/dbraw/zinc/90/69/55/561906955.db2.gz LVXZMAMJNHAXKU-ROUUACIJSA-N -1 0 529.644 2.725 1 0 KFAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O ZINC000028137475 561906932 /nfs/dbraw/zinc/90/69/32/561906932.db2.gz LVXZMAMJNHAXKU-ZWKOTPCHSA-N -1 0 529.644 2.725 1 0 KFAFRM COc1ccc2c(cccc2CCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(NC(=O)[C@H](Cc3ccc(C[P@@](=O)([O-])O)cc3)NC(C)=O)CCCCC2)c1 ZINC000028224533 561907777 /nfs/dbraw/zinc/90/77/77/561907777.db2.gz KROYSCLPCFKFPY-ACHIHNKUSA-N -1 0 737.791 2.502 1 0 KFAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2c(Br)cccc2C1)N1CCc2c(Br)cccc2C1 ZINC000028237220 561909985 /nfs/dbraw/zinc/90/99/85/561909985.db2.gz DSCMIQGNFCXSHH-UHFFFAOYSA-N -1 0 565.309 2.707 1 0 KFAFRM Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(C)(C)C(=O)[O-])CSC1(C)C ZINC000028238717 561910267 /nfs/dbraw/zinc/91/02/67/561910267.db2.gz YGUZUUFCXAEKFU-ZKMPZPQNSA-N -1 0 569.724 2.881 1 0 KFAFRM COc1ccc2c(c1Cl)CN(S(=O)(=O)[N-]S(=O)(=O)N1CCc3ccc(OC)c(Cl)c3C1)CC2 ZINC000028241271 561910469 /nfs/dbraw/zinc/91/04/69/561910469.db2.gz DZBHHZYEJRYEHC-UHFFFAOYSA-N -1 0 536.459 2.506 1 0 KFAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Br)cc2C1)N1CCc2ccc(Br)cc2C1 ZINC000028245477 561910765 /nfs/dbraw/zinc/91/07/65/561910765.db2.gz CNCLDRZHEGSJCW-UHFFFAOYSA-N -1 0 565.309 2.707 1 0 KFAFRM CC(C)[C@H](C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000028258057 561911900 /nfs/dbraw/zinc/91/19/00/561911900.db2.gz MEBCLEBMGRMUAO-AMEOFWRWSA-N -1 0 691.788 2.554 1 0 KFAFRM COc1ccc(I)cc1[C@@H](O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000028350164 561915392 /nfs/dbraw/zinc/91/53/92/561915392.db2.gz LPQLYZKOKVZVSN-WDJPJFJCSA-N -1 0 642.512 2.936 1 0 KFAFRM O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028379862 561919947 /nfs/dbraw/zinc/91/99/47/561919947.db2.gz YKDPBQLUFJZRDN-OAQYLSRUSA-N -1 0 508.575 2.672 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)C1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028379870 561919953 /nfs/dbraw/zinc/91/99/53/561919953.db2.gz YKDPBQLUFJZRDN-NRFANRHFSA-N -1 0 508.575 2.672 1 0 KFAFRM COc1cc2nc(N3CCN(S(=O)(=O)c4cc(C(=O)[O-])c(Cl)cc4Cl)CC3)nc(N)c2cc1OC ZINC000028456227 561923874 /nfs/dbraw/zinc/92/38/74/561923874.db2.gz WXVFSBVWDDXUQR-UHFFFAOYSA-N -1 0 542.401 2.745 1 0 KFAFRM CNC(=O)CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028456979 561923907 /nfs/dbraw/zinc/92/39/07/561923907.db2.gz UCMZPMQPFGHGEX-ZNATVVAESA-N -1 0 530.710 2.713 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)C(CNC(=O)OCc1ccccc1)CNC(=O)OCc1ccccc1)C(N)=O ZINC000028457632 561924302 /nfs/dbraw/zinc/92/43/02/561924302.db2.gz TWLUQWINUCUWAC-CONSDPRKSA-N -1 0 719.792 2.663 1 0 KFAFRM Cc1nnc(SCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)COc2cccc3ccccc32)C(C)C)s1 ZINC000028460403 561925031 /nfs/dbraw/zinc/92/50/31/561925031.db2.gz FAGCGGXNFCPYGD-MBSDFSHPSA-N -1 0 544.655 2.840 1 0 KFAFRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1)C(=O)[O-] ZINC000028462035 561925390 /nfs/dbraw/zinc/92/53/90/561925390.db2.gz KJURPZKHCXAZLJ-FQEVSTJZSA-N -1 0 507.524 2.959 1 0 KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)n(C)n1 ZINC000028462435 561925511 /nfs/dbraw/zinc/92/55/11/561925511.db2.gz AYJWXAAAMDKKIP-BVZFJXPGSA-N -1 0 578.544 2.719 1 0 KFAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSC1=NCCS1 ZINC000028469246 561926771 /nfs/dbraw/zinc/92/67/71/561926771.db2.gz GLNGGHOLCUXGCW-MBSDFSHPSA-N -1 0 531.656 2.724 1 0 KFAFRM Cc1cc(COc2ccc(C3(N4CCN(C(=O)C(C)(C)C)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028473633 561927402 /nfs/dbraw/zinc/92/74/02/561927402.db2.gz NPIWTBAYANSBHN-UHFFFAOYSA-N -1 0 543.624 2.874 1 0 KFAFRM O=C([O-])c1cccc([O-])c1C(=O)c1ccc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1 ZINC000028522508 561929525 /nfs/dbraw/zinc/92/95/25/561929525.db2.gz OFPFIAWWDTYSBZ-FYYLOGMGSA-N -1 0 518.522 2.734 1 0 KFAFRM CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])C1CCCC1 ZINC000028522991 561929844 /nfs/dbraw/zinc/92/98/44/561929844.db2.gz YJMIQFUZBHCYMC-KNZVSNRJSA-N -1 0 679.856 2.578 1 0 KFAFRM CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])C1CCCC1 ZINC000028522992 561929827 /nfs/dbraw/zinc/92/98/27/561929827.db2.gz YJMIQFUZBHCYMC-XEZODYMFSA-N -1 0 679.856 2.578 1 0 KFAFRM CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028523434 561930168 /nfs/dbraw/zinc/93/01/68/561930168.db2.gz HMKALQXHYLSSFL-JMZGFNRRSA-N -1 0 687.835 2.761 1 0 KFAFRM CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028523435 561930173 /nfs/dbraw/zinc/93/01/73/561930173.db2.gz HMKALQXHYLSSFL-DZXSPZCNSA-N -1 0 687.835 2.761 1 0 KFAFRM CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028523436 561930112 /nfs/dbraw/zinc/93/01/12/561930112.db2.gz WGCZAVPFJOOJIT-KNZVSNRJSA-N -1 0 687.835 2.903 1 0 KFAFRM CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028523437 561930131 /nfs/dbraw/zinc/93/01/31/561930131.db2.gz WGCZAVPFJOOJIT-XEZODYMFSA-N -1 0 687.835 2.903 1 0 KFAFRM CC[C@]1(C)O[C@@]2(OC[C@@H](COC(=O)CCC(=O)[O-])O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000028523450 561930095 /nfs/dbraw/zinc/93/00/95/561930095.db2.gz MMJRNEITZCOUML-GAZXMLTASA-N -1 0 512.577 2.902 1 0 KFAFRM CC[C@]1(C)O[C@]2(OC[C@@H](COC(=O)CCC(=O)[O-])O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000028523451 561930098 /nfs/dbraw/zinc/93/00/98/561930098.db2.gz MMJRNEITZCOUML-CQLNOVPUSA-N -1 0 512.577 2.902 1 0 KFAFRM CC[C@]1(C)O[C@@]2(OC[C@H](COC(=O)CCC(=O)[O-])O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000028523452 561930176 /nfs/dbraw/zinc/93/01/76/561930176.db2.gz MMJRNEITZCOUML-YRUKQIKQSA-N -1 0 512.577 2.902 1 0 KFAFRM CC[C@]1(C)O[C@]2(OC[C@H](COC(=O)CCC(=O)[O-])O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000028523453 561930142 /nfs/dbraw/zinc/93/01/42/561930142.db2.gz MMJRNEITZCOUML-DPSWKAHMSA-N -1 0 512.577 2.902 1 0 KFAFRM CCC[C@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028525918 561931726 /nfs/dbraw/zinc/93/17/26/561931726.db2.gz ZHVMEZXHKSSDJL-DZXSPZCNSA-N -1 0 685.819 2.515 1 0 KFAFRM CCC[C@@H](NC(=O)[C@@H]1Cc2cccc(c2)OCCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028526165 561931996 /nfs/dbraw/zinc/93/19/96/561931996.db2.gz FSRAVOGUDARYMI-SOKNIMEWSA-N -1 0 733.863 2.644 1 0 KFAFRM CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)OCCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028526166 561932012 /nfs/dbraw/zinc/93/20/12/561932012.db2.gz FSRAVOGUDARYMI-ANFUHZJESA-N -1 0 733.863 2.644 1 0 KFAFRM C[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(F)c(F)cc(F)c1F ZINC000028527152 561932407 /nfs/dbraw/zinc/93/24/07/561932407.db2.gz IABNRQMAPLZDQJ-XOBRGWDASA-N -1 0 617.508 2.739 1 0 KFAFRM C[C@H](NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028528102 561932801 /nfs/dbraw/zinc/93/28/01/561932801.db2.gz NBIXDQLGGRJRIE-BTYIYWSLSA-N -1 0 603.525 2.885 1 0 KFAFRM CCC[C@@H](NC(=O)[C@H](CC1CCC1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528922 561933425 /nfs/dbraw/zinc/93/34/25/561933425.db2.gz UWVAIHDUFUEXNR-QMGVEFKFSA-N -1 0 699.846 2.905 1 0 KFAFRM CCC[C@H](NC(=O)[C@H](CC1CCC1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528923 561933433 /nfs/dbraw/zinc/93/34/33/561933433.db2.gz UWVAIHDUFUEXNR-ZHTHUIBPSA-N -1 0 699.846 2.905 1 0 KFAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(NC(N)=O)ccc4O)c3O)nc2c1 ZINC000028571118 561939313 /nfs/dbraw/zinc/93/93/13/561939313.db2.gz JHBQOFJNFFBKHW-CYBMUJFWSA-N -1 0 518.486 2.726 1 0 KFAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(NC(N)=O)ccc4O)c3O)nc2c1 ZINC000028571119 561939210 /nfs/dbraw/zinc/93/92/10/561939210.db2.gz JHBQOFJNFFBKHW-ZDUSSCGKSA-N -1 0 518.486 2.726 1 0 KFAFRM CSCC[C@H](NC(=O)CN1C(=O)N(Cc2c[nH]cn2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000028571120 561939229 /nfs/dbraw/zinc/93/92/29/561939229.db2.gz IJXSXCBEAJLFHS-NBGIEHNGSA-N -1 0 509.588 2.565 1 0 KFAFRM CSCC[C@H](NC(=O)CN1C(=O)N(Cc2c[nH]cn2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000028571121 561939242 /nfs/dbraw/zinc/93/92/42/561939242.db2.gz IJXSXCBEAJLFHS-CPJSRVTESA-N -1 0 509.588 2.565 1 0 KFAFRM CC(C)COC(=O)N[C@H](C(=O)N(C)[C@@H](CC1CC1)C(=O)N[C@@H](CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000028571880 561939598 /nfs/dbraw/zinc/93/95/98/561939598.db2.gz NRBGWZQULLFDCQ-QMMMHVTISA-N -1 0 711.857 2.857 1 0 KFAFRM CC(C)COC(=O)N[C@H](C(=O)N(C)[C@@H](CC1CC1)C(=O)N[C@H](CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000028571881 561939632 /nfs/dbraw/zinc/93/96/32/561939632.db2.gz NRBGWZQULLFDCQ-AXXAOYNRSA-N -1 0 711.857 2.857 1 0 KFAFRM CC(C)COC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000028572208 561939848 /nfs/dbraw/zinc/93/98/48/561939848.db2.gz VZZMJPCOMQVXJP-QMGVEFKFSA-N -1 0 697.830 2.515 1 0 KFAFRM Cc1ccc(S(=O)(=O)c2cn(C[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cn(-c4ccc(C(=O)C(=O)[O-])cc4)nn3)nn2)cc1 ZINC000028640410 561942846 /nfs/dbraw/zinc/94/28/46/561942846.db2.gz ZQGDVUDIWNHVQM-QFIPXVFZSA-N -1 0 638.666 2.790 1 0 KFAFRM C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000028652969 561946125 /nfs/dbraw/zinc/94/61/25/561946125.db2.gz FTYLQXRCPHOAJS-GMWOSMDTSA-N -1 0 538.601 2.626 1 0 KFAFRM CC(C)(C)CC(=O)N1C[C@H](OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(=O)[O-])C[C@H]1CNc1ccccn1 ZINC000028710116 561950996 /nfs/dbraw/zinc/95/09/96/561950996.db2.gz SMNXQFKEUFRQPU-BDTNDASRSA-N -1 0 559.708 2.572 1 0 KFAFRM Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C(=O)CC(C)(C)C)C2)C(=O)[O-])c(C)c1 ZINC000028710124 561951011 /nfs/dbraw/zinc/95/10/11/561951011.db2.gz AZJYXUVHLYXCJY-VXNXHJTFSA-N -1 0 581.714 2.840 1 0 KFAFRM CC1(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C(=O)OCc3ccccc3)C2)C(=O)[O-])CCCCC1 ZINC000028710128 561950970 /nfs/dbraw/zinc/95/09/70/561950970.db2.gz UZVROHMMUDQAOJ-GVAUOCQISA-N -1 0 595.697 2.946 1 0 KFAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C(=O)OCc3ccccc3)C2)C(=O)[O-])c(C)c1 ZINC000028710138 561950990 /nfs/dbraw/zinc/95/09/90/561950990.db2.gz OURYZIAAXSSBIO-VJGNERBWSA-N -1 0 653.758 2.763 1 0 KFAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C(=O)CCc3ccccc3)C2)C(=O)[O-])c(C)c1 ZINC000028710145 561951021 /nfs/dbraw/zinc/95/10/21/561951021.db2.gz HNKFTNWKBPAXKF-IARZGTGTSA-N -1 0 651.786 2.586 1 0 KFAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCCNC(=O)c4ccc(Cl)c(Cl)c4)C(=O)[O-])cc3)cnc2n1 ZINC000028762144 561958456 /nfs/dbraw/zinc/95/84/56/561958456.db2.gz WLWWMAXVPLTADE-LJQANCHMSA-N -1 0 598.451 2.896 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C(=O)COc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763035 561958612 /nfs/dbraw/zinc/95/86/12/561958612.db2.gz MRCDCBFNFBQWQV-WQZFRIBXSA-N -1 0 684.831 2.839 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)Cn1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 ZINC000028763101 561958576 /nfs/dbraw/zinc/95/85/76/561958576.db2.gz JLGZUYXXKJJXNF-DEOSSOPVSA-N -1 0 527.533 2.861 1 0 KFAFRM Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028763250 561958702 /nfs/dbraw/zinc/95/87/02/561958702.db2.gz QDENPYNVALXSMX-QFIPXVFZSA-N -1 0 521.526 2.513 1 0 KFAFRM CC[C@@H](C)CNC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1)C(C)C ZINC000028763639 561958804 /nfs/dbraw/zinc/95/88/04/561958804.db2.gz SPCYENRBXNWACH-HSQNVRHTSA-N -1 0 549.709 2.741 1 0 KFAFRM CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1)C(C)C ZINC000028763641 561958811 /nfs/dbraw/zinc/95/88/11/561958811.db2.gz SPCYENRBXNWACH-MASZLTEFSA-N -1 0 549.709 2.741 1 0 KFAFRM CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764329 561959043 /nfs/dbraw/zinc/95/90/43/561959043.db2.gz ZQURKDGMKVHKDJ-SZJUTTIESA-N -1 0 547.608 2.707 1 0 KFAFRM CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764331 561959081 /nfs/dbraw/zinc/95/90/81/561959081.db2.gz ZQURKDGMKVHKDJ-MATUZCBOSA-N -1 0 547.608 2.707 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)Cn1cccc(NC(=O)c2cccc3ccccc32)c1=O)C(=O)COc1ccccc1 ZINC000028764333 561959044 /nfs/dbraw/zinc/95/90/44/561959044.db2.gz RFEOZWTYAMRKSP-DEOSSOPVSA-N -1 0 527.533 2.861 1 0 KFAFRM CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C(=O)Cc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C ZINC000028764770 561959304 /nfs/dbraw/zinc/95/93/04/561959304.db2.gz SJQDGCJFSZEKAG-FGDTZFKPSA-N -1 0 534.694 2.576 1 0 KFAFRM CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](C(=O)Cc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C ZINC000028764773 561959286 /nfs/dbraw/zinc/95/92/86/561959286.db2.gz SJQDGCJFSZEKAG-GQOXXRCZSA-N -1 0 534.694 2.576 1 0 KFAFRM O=C([O-])C[C@@H](CNC(=O)CCNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)NC(=O)OCc1ccccc1 ZINC000028770095 561961026 /nfs/dbraw/zinc/96/10/26/561961026.db2.gz NUCFIZZDORSKOM-NRFANRHFSA-N -1 0 565.583 2.607 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000028771427 561961514 /nfs/dbraw/zinc/96/15/14/561961514.db2.gz IYSIHZPXKZQPKR-NSOVKSMOSA-N -1 0 582.657 2.588 1 0 KFAFRM CCN(CC)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(=O)[O-])cc1 ZINC000028771678 561961526 /nfs/dbraw/zinc/96/15/26/561961526.db2.gz YABAZARCGOHKQF-NGDRWEMDSA-N -1 0 628.726 2.905 1 0 KFAFRM CCN(CC)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(=O)[O-])cc1 ZINC000028771684 561961478 /nfs/dbraw/zinc/96/14/78/561961478.db2.gz YABAZARCGOHKQF-DTXPUJKBSA-N -1 0 628.726 2.905 1 0 KFAFRM COC(=O)CSc1nnc(Cc2csc(NCCC(=O)[O-])n2)n1NC(=O)c1ccc(Cl)cc1 ZINC000028815534 561962819 /nfs/dbraw/zinc/96/28/19/561962819.db2.gz PEIFTZAJJRCFLD-UHFFFAOYSA-N -1 0 510.985 2.514 1 0 KFAFRM COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3C(=O)[O-])SCC(=O)N5)C4)c2n1 ZINC000028817512 561964931 /nfs/dbraw/zinc/96/49/31/561964931.db2.gz VIKYDHVRZWIQEM-AWEZNQCLSA-N -1 0 530.566 2.854 1 0 KFAFRM COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3C(=O)[O-])SCC(=O)N5)C4)c2n1 ZINC000028817514 561964894 /nfs/dbraw/zinc/96/48/94/561964894.db2.gz VIKYDHVRZWIQEM-CQSZACIVSA-N -1 0 530.566 2.854 1 0 KFAFRM COS(=O)(=O)[N-]C(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000028821518 561966424 /nfs/dbraw/zinc/96/64/24/561966424.db2.gz PKPSNPAVDRFCKI-DLBZAZTESA-N -1 0 542.029 2.529 1 0 KFAFRM CC(C)=CCC/C(C)=C\C[C@@]12c3ccccc3N[C@@H]1N(C(=O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]2C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000028887874 561977914 /nfs/dbraw/zinc/97/79/14/561977914.db2.gz SWSMWRJESABZRO-BJDVPOQZSA-N -1 0 744.890 2.972 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(O)c1 ZINC000028895157 561978895 /nfs/dbraw/zinc/97/88/95/561978895.db2.gz RRZMDBDMNHCIGY-CRAIPNDOSA-N -1 0 503.939 2.730 1 0 KFAFRM CC[C@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(O)c1 ZINC000028895163 561978904 /nfs/dbraw/zinc/97/89/04/561978904.db2.gz RRZMDBDMNHCIGY-QAPCUYQASA-N -1 0 503.939 2.730 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(O)c1 ZINC000028895169 561978908 /nfs/dbraw/zinc/97/89/08/561978908.db2.gz RRZMDBDMNHCIGY-MAUKXSAKSA-N -1 0 503.939 2.730 1 0 KFAFRM CC[C@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(O)c1 ZINC000028895176 561978862 /nfs/dbraw/zinc/97/88/62/561978862.db2.gz RRZMDBDMNHCIGY-YJBOKZPZSA-N -1 0 503.939 2.730 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(N)c1 ZINC000028895181 561978922 /nfs/dbraw/zinc/97/89/22/561978922.db2.gz ZQCPJAZKZATEMD-DNVCBOLYSA-N -1 0 502.955 2.607 1 0 KFAFRM CC[C@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(N)c1 ZINC000028895183 561978921 /nfs/dbraw/zinc/97/89/21/561978921.db2.gz ZQCPJAZKZATEMD-BEFAXECRSA-N -1 0 502.955 2.607 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(N)c1 ZINC000028895190 561978865 /nfs/dbraw/zinc/97/88/65/561978865.db2.gz ZQCPJAZKZATEMD-HNAYVOBHSA-N -1 0 502.955 2.607 1 0 KFAFRM CC[C@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(N)c1 ZINC000028895195 561978910 /nfs/dbraw/zinc/97/89/10/561978910.db2.gz ZQCPJAZKZATEMD-KXBFYZLASA-N -1 0 502.955 2.607 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000028895265 561978899 /nfs/dbraw/zinc/97/88/99/561978899.db2.gz CYUDVVQWJVHMGL-CRAIPNDOSA-N -1 0 503.939 2.730 1 0 KFAFRM CC[C@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000028895270 561978901 /nfs/dbraw/zinc/97/89/01/561978901.db2.gz CYUDVVQWJVHMGL-QAPCUYQASA-N -1 0 503.939 2.730 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000028895274 561978906 /nfs/dbraw/zinc/97/89/06/561978906.db2.gz CYUDVVQWJVHMGL-MAUKXSAKSA-N -1 0 503.939 2.730 1 0 KFAFRM CC[C@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000028895279 561978872 /nfs/dbraw/zinc/97/88/72/561978872.db2.gz CYUDVVQWJVHMGL-YJBOKZPZSA-N -1 0 503.939 2.730 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(N)c(C(=O)[O-])c1 ZINC000028895285 561978879 /nfs/dbraw/zinc/97/88/79/561978879.db2.gz OYVJDRQTBBCOBT-DNVCBOLYSA-N -1 0 502.955 2.607 1 0 KFAFRM CC[C@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(N)c(C(=O)[O-])c1 ZINC000028895289 561978885 /nfs/dbraw/zinc/97/88/85/561978885.db2.gz OYVJDRQTBBCOBT-BEFAXECRSA-N -1 0 502.955 2.607 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(N)c(C(=O)[O-])c1 ZINC000028895294 561978924 /nfs/dbraw/zinc/97/89/24/561978924.db2.gz OYVJDRQTBBCOBT-HNAYVOBHSA-N -1 0 502.955 2.607 1 0 KFAFRM CC[C@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(N)c(C(=O)[O-])c1 ZINC000028895299 561978916 /nfs/dbraw/zinc/97/89/16/561978916.db2.gz OYVJDRQTBBCOBT-KXBFYZLASA-N -1 0 502.955 2.607 1 0 KFAFRM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCC(CC(=O)[O-])CC3)ccc1OCC)[nH]c2=O ZINC000028895590 561978989 /nfs/dbraw/zinc/97/89/89/561978989.db2.gz UBCITXYVFJLZMG-UHFFFAOYSA-N -1 0 517.608 2.550 1 0 KFAFRM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCC(CCC(=O)[O-])CC3)ccc1OCC)[nH]c2=O ZINC000028895596 561978993 /nfs/dbraw/zinc/97/89/93/561978993.db2.gz CWRKHPCKDQGTTI-UHFFFAOYSA-N -1 0 531.635 2.940 1 0 KFAFRM CCCOc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000028895614 561979040 /nfs/dbraw/zinc/97/90/40/561979040.db2.gz WVTFDIKAJDHPCY-UHFFFAOYSA-N -1 0 517.608 2.550 1 0 KFAFRM CCCOc1ccc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000028895649 561978977 /nfs/dbraw/zinc/97/89/77/561978977.db2.gz MEKKLAMMHOJJHA-UHFFFAOYSA-N -1 0 531.635 2.940 1 0 KFAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000028898899 561979634 /nfs/dbraw/zinc/97/96/34/561979634.db2.gz KOSOGUVRRYONSO-ZDUSSCGKSA-N -1 0 577.024 2.694 1 0 KFAFRM O=C([O-])c1ccc(CCN2C(=O)CCN2CC[C@H](O)Cc2cccc(I)c2)cc1 ZINC000028962058 561984398 /nfs/dbraw/zinc/98/43/98/561984398.db2.gz KDVFFCPULSQTQN-FQEVSTJZSA-N -1 0 508.356 2.975 1 0 KFAFRM O=C([O-])c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(I)c2)cc1 ZINC000028962063 561984454 /nfs/dbraw/zinc/98/44/54/561984454.db2.gz KDVFFCPULSQTQN-HXUWFJFHSA-N -1 0 508.356 2.975 1 0 KFAFRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(N3CCN(c4ccccn4)CC3)cc2)C(=O)[O-])cc1 ZINC000028978662 561987988 /nfs/dbraw/zinc/98/79/88/561987988.db2.gz KXDHHOHONIXTFW-SVBPBHIXSA-N -1 0 577.707 2.682 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(N2CCN(c3ccccc3)CC2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000028978676 561987956 /nfs/dbraw/zinc/98/79/56/561987956.db2.gz VSDOKMSXOUYHRM-NSOVKSMOSA-N -1 0 562.692 2.978 1 0 KFAFRM CC(C)(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1[O-] ZINC000029038374 561988803 /nfs/dbraw/zinc/98/88/03/561988803.db2.gz KOVJEUIMUQYCPY-UHFFFAOYSA-N -1 0 531.616 2.539 1 0 KFAFRM CCC(C)(C)Cn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1[O-] ZINC000029038384 561988785 /nfs/dbraw/zinc/98/87/85/561988785.db2.gz CKWYKIMITHNOQG-UHFFFAOYSA-N -1 0 531.616 2.539 1 0 KFAFRM CC[C@@H](C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1[O-] ZINC000029038389 561988856 /nfs/dbraw/zinc/98/88/56/561988856.db2.gz BWXVWSIVWWPGKL-CYBMUJFWSA-N -1 0 531.616 2.539 1 0 KFAFRM CC[C@H](C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1[O-] ZINC000029038391 561988820 /nfs/dbraw/zinc/98/88/20/561988820.db2.gz BWXVWSIVWWPGKL-ZDUSSCGKSA-N -1 0 531.616 2.539 1 0 KFAFRM NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CC3CCCCC3)nc(-c3cccs3)c1=O)N2 ZINC000029038403 561988791 /nfs/dbraw/zinc/98/87/91/561988791.db2.gz LVQQCLMPJSUOEH-UHFFFAOYSA-N -1 0 543.627 2.683 1 0 KFAFRM Cc1ccc(-c2nn(CCC(C)(C)C)c([O-])c(C3=NS(=O)(=O)c4cc(OCC(N)=O)ccc4N3)c2=O)s1 ZINC000029038428 561988958 /nfs/dbraw/zinc/98/89/58/561988958.db2.gz CQZMTBCBUSLROY-UHFFFAOYSA-N -1 0 545.643 2.847 1 0 KFAFRM C[C@@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[n-]1)c1ccccc1 ZINC000029039568 561989958 /nfs/dbraw/zinc/98/99/58/561989958.db2.gz SNMZYKGCZUWWIW-ATVOGRQSSA-N -1 0 606.643 2.799 1 0 KFAFRM CC(C)(NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[n-]1)c1ccccc1 ZINC000029039572 561990089 /nfs/dbraw/zinc/99/00/89/561990089.db2.gz OVTQEIOCMROWGZ-LSYYVWMOSA-N -1 0 620.670 2.973 1 0 KFAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000029042540 561991502 /nfs/dbraw/zinc/99/15/02/561991502.db2.gz FLYYDCVHLBWLMQ-RFYPFYFJSA-N -1 0 678.647 2.619 1 0 KFAFRM COc1ccc(OC(=O)N(CC(=O)O[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)[O-])Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1 ZINC000029042620 561991576 /nfs/dbraw/zinc/99/15/76/561991576.db2.gz FVQQTDDSTRABAJ-ZCXDVHIGSA-N -1 0 692.674 2.922 1 0 KFAFRM CC(C)CCn1nc(CC2CCCC2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029042949 561991805 /nfs/dbraw/zinc/99/18/05/561991805.db2.gz AZMJERYDFSFNSJ-UHFFFAOYSA-N -1 0 537.664 2.660 1 0 KFAFRM CC(C)CCn1nc(CC(C)(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029043037 561991777 /nfs/dbraw/zinc/99/17/77/561991777.db2.gz PEBFIVIHOBYECP-UHFFFAOYSA-N -1 0 525.653 2.516 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(N(C)S(C)(=O)=O)ccc3N2)c1[O-] ZINC000029043127 561991950 /nfs/dbraw/zinc/99/19/50/561991950.db2.gz ZYZXNEQQUVOTPI-UHFFFAOYSA-N -1 0 551.672 2.680 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029043133 561991955 /nfs/dbraw/zinc/99/19/55/561991955.db2.gz UNKTYNIAIAATDF-UHFFFAOYSA-N -1 0 537.645 2.656 1 0 in-vitro KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(S(=O)(=O)N(C)C)ccc3N2)c1[O-] ZINC000029046171 561992844 /nfs/dbraw/zinc/99/28/44/561992844.db2.gz MPBFILOXUKLJLC-UHFFFAOYSA-N -1 0 551.672 2.535 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(Cc3ccsc3)nc(-c3cccs3)c1=O)N2 ZINC000029046322 561992821 /nfs/dbraw/zinc/99/28/21/561992821.db2.gz KEDAXDZKUGISOU-UHFFFAOYSA-N -1 0 563.664 2.720 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3N2)c1[O-] ZINC000029046324 561992851 /nfs/dbraw/zinc/99/28/51/561992851.db2.gz FDZYGDHUNQLBNP-UHFFFAOYSA-N -1 0 522.630 2.688 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(Cc3ccc(F)cc3)nc(-c3cccs3)c1=O)N2 ZINC000029046327 561992874 /nfs/dbraw/zinc/99/28/74/561992874.db2.gz SIRVFLHRTOQLKW-UHFFFAOYSA-N -1 0 575.625 2.797 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(CS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029046335 561992825 /nfs/dbraw/zinc/99/28/25/561992825.db2.gz RIXWFJXKXDQNRQ-UHFFFAOYSA-N -1 0 536.657 2.829 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(N4CCCS4(=O)=O)ccc3N2)c1[O-] ZINC000029046455 561992889 /nfs/dbraw/zinc/99/28/89/561992889.db2.gz QIJJBUOXNZDPGW-UHFFFAOYSA-N -1 0 563.683 2.824 1 0 KFAFRM COCN(c1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC(C)C)nc(-c3cccs3)c1=O)N2)S(C)(=O)=O ZINC000029046464 561993026 /nfs/dbraw/zinc/99/30/26/561993026.db2.gz KPCLGLHETGDCKN-UHFFFAOYSA-N -1 0 581.698 2.654 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(Cc3ccccc3)nc(-c3cccs3)c1=O)N2 ZINC000029046573 561993045 /nfs/dbraw/zinc/99/30/45/561993045.db2.gz LWEULLDEVBUDBA-UHFFFAOYSA-N -1 0 557.635 2.658 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC3CCC3)nc(-c3cccs3)c1=O)N2 ZINC000029046703 561992954 /nfs/dbraw/zinc/99/29/54/561992954.db2.gz NGRZKFSNLAEIDT-UHFFFAOYSA-N -1 0 549.656 2.800 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CC3(C(F)(F)F)CC3)nc(-c3cccs3)c1=O)N2 ZINC000029046709 561992975 /nfs/dbraw/zinc/99/29/75/561992975.db2.gz OWHFDRSVDOOTEO-UHFFFAOYSA-N -1 0 589.599 2.952 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CC3CCCC3)nc(-c3cccs3)c1=O)N2 ZINC000029046834 561993074 /nfs/dbraw/zinc/99/30/74/561993074.db2.gz ASNLTOZCFAXTIF-UHFFFAOYSA-N -1 0 549.656 2.800 1 0 KFAFRM CC(C)(C)Cn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029046842 561993035 /nfs/dbraw/zinc/99/30/35/561993035.db2.gz SEEAVMVHPRFALM-UHFFFAOYSA-N -1 0 537.645 2.656 1 0 KFAFRM CC[C@@H](C)n1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029046994 561993192 /nfs/dbraw/zinc/99/31/92/561993192.db2.gz AJHJVPVCTKBBDI-LLVKDONJSA-N -1 0 523.618 2.581 1 0 KFAFRM CC[C@H](C)n1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029046997 561993110 /nfs/dbraw/zinc/99/31/10/561993110.db2.gz AJHJVPVCTKBBDI-NSHDSACASA-N -1 0 523.618 2.581 1 0 KFAFRM CCC[C@@H](C)n1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029047144 561993103 /nfs/dbraw/zinc/99/31/03/561993103.db2.gz UZHDKFPKWCGTQM-GFCCVEGCSA-N -1 0 537.645 2.971 1 0 KFAFRM CCC[C@H](C)n1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029047147 561993127 /nfs/dbraw/zinc/99/31/27/561993127.db2.gz UZHDKFPKWCGTQM-LBPRGKRZSA-N -1 0 537.645 2.971 1 0 KFAFRM CCC(C)(C)c1nn(CCC(C)C)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O ZINC000029047545 561993325 /nfs/dbraw/zinc/99/33/25/561993325.db2.gz YDPIHNUXRQOIJM-UHFFFAOYSA-N -1 0 525.653 2.615 1 0 KFAFRM CC(C)CCc1nn(CCC(C)C)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O ZINC000029047548 561993283 /nfs/dbraw/zinc/99/32/83/561993283.db2.gz OZBDIWCFKMFKFC-UHFFFAOYSA-N -1 0 525.653 2.516 1 0 KFAFRM CC(=Cc1nn(CCC(C)C)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O)C(F)(F)F ZINC000029047694 561993303 /nfs/dbraw/zinc/99/33/03/561993303.db2.gz SBZFOUCYBBGDBW-FMIVXFBMSA-N -1 0 563.580 2.893 1 0 KFAFRM CC(C)CCn1nc(CC2=CCCC2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029047827 561993333 /nfs/dbraw/zinc/99/33/33/561993333.db2.gz ZYVFNRJFFHIOAQ-UHFFFAOYSA-N -1 0 535.648 2.580 1 0 KFAFRM CC(C)CCn1nc(C2CCCC2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029047945 561993289 /nfs/dbraw/zinc/99/32/89/561993289.db2.gz BCYSEISPSXCDAH-UHFFFAOYSA-N -1 0 523.637 2.585 1 0 KFAFRM CC(C)CCn1nc(C2CCCCC2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000029048050 561993509 /nfs/dbraw/zinc/99/35/09/561993509.db2.gz MCCDRQLGNMTBSH-UHFFFAOYSA-N -1 0 537.664 2.975 1 0 KFAFRM COc1c(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000029123250 561996603 /nfs/dbraw/zinc/99/66/03/561996603.db2.gz ASODKBLNXZTFAP-NRFANRHFSA-N -1 0 523.517 2.671 1 0 KFAFRM COc1c(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000029123251 561996540 /nfs/dbraw/zinc/99/65/40/561996540.db2.gz ASODKBLNXZTFAP-OAQYLSRUSA-N -1 0 523.517 2.671 1 0 KFAFRM COc1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(F)c(N)c2c(=O)c(C(=O)[O-])cn(C3CC3)c12 ZINC000029123353 561996761 /nfs/dbraw/zinc/99/67/61/561996761.db2.gz YOXMMTADVRAAHO-UHFFFAOYSA-N -1 0 510.522 2.815 1 0 KFAFRM CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(=O)[O-])[C@H]2O[C@H](/C=C/c3ccccc3)O[C@@H]12 ZINC000029125032 561997246 /nfs/dbraw/zinc/99/72/46/561997246.db2.gz JVNMAWUFJWCBRZ-BFCYAOISSA-N -1 0 526.575 2.506 1 0 KFAFRM CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCS(=O)(=O)[O-])[C@H]2O[C@H](/C=C/c3ccccc3)O[C@@H]12 ZINC000029125062 561997250 /nfs/dbraw/zinc/99/72/50/561997250.db2.gz DKEGKPZHZKBEOE-ITLHBUMKSA-N -1 0 590.684 2.700 1 0 KFAFRM COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)c2nnn[n-]2)cc1 ZINC000029127822 562000321 /nfs/dbraw/zinc/00/03/21/562000321.db2.gz FOUDHXTZQKEKBC-INIZCTEOSA-N -1 0 500.346 2.990 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000029128139 562000601 /nfs/dbraw/zinc/00/06/01/562000601.db2.gz UQAPDUYQJPKWFG-JYIQTIOUSA-N -1 0 696.629 2.590 1 0 KFAFRM CC[C@@H](Oc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC(C)C)nc(-c3cccs3)c1=O)N2)C(N)=O ZINC000029128460 562000895 /nfs/dbraw/zinc/00/08/95/562000895.db2.gz DDKWEVPYJSKSCI-MRXNPFEDSA-N -1 0 545.643 2.927 1 0 KFAFRM CC[C@H](Oc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC(C)C)nc(-c3cccs3)c1=O)N2)C(N)=O ZINC000029128461 562000864 /nfs/dbraw/zinc/00/08/64/562000864.db2.gz DDKWEVPYJSKSCI-INIZCTEOSA-N -1 0 545.643 2.927 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(OC(C)(C)C(N)=O)ccc3N2)c1[O-] ZINC000029128463 562000800 /nfs/dbraw/zinc/00/08/00/562000800.db2.gz YKGKSPOZZNTTRL-UHFFFAOYSA-N -1 0 545.643 2.927 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(O[C@@H](C)C(N)=O)ccc3N2)c1[O-] ZINC000029128515 562001004 /nfs/dbraw/zinc/00/10/04/562001004.db2.gz BPHLZVCJUQBQLM-ZDUSSCGKSA-N -1 0 531.616 2.537 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(O[C@H](C)C(N)=O)ccc3N2)c1[O-] ZINC000029128516 562000937 /nfs/dbraw/zinc/00/09/37/562000937.db2.gz BPHLZVCJUQBQLM-CYBMUJFWSA-N -1 0 531.616 2.537 1 0 in-vitro KFAFRM O=C(CN(c1cccn([O-])c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000029128715 562001126 /nfs/dbraw/zinc/00/11/26/562001126.db2.gz GJFWRLSCEYCXSO-UHFFFAOYSA-N -1 0 519.963 2.585 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(C=CC(N)=O)ccc3N2)c1[O-] ZINC000029128974 562001419 /nfs/dbraw/zinc/00/14/19/562001419.db2.gz RGCHCVGSLKVFLI-VURMDHGXSA-N -1 0 513.601 2.783 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(CCC(N)=O)ccc3N2)c1[O-] ZINC000029129012 562001608 /nfs/dbraw/zinc/00/16/08/562001608.db2.gz FAAJUDKQXJTOOD-UHFFFAOYSA-N -1 0 515.617 2.702 1 0 KFAFRM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C[C@H](NC(=O)[C@@H]4CCC(=O)N4Cc4ccccc4)C(=O)[O-])cc3)CC2)cc1 ZINC000029204572 562004938 /nfs/dbraw/zinc/00/49/38/562004938.db2.gz GSLGUUCOLROOAV-VMPREFPWSA-N -1 0 612.683 2.597 1 0 KFAFRM COc1ccc(CNC(=O)c2ccc(C[C@H](NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000029205041 562005126 /nfs/dbraw/zinc/00/51/26/562005126.db2.gz DASRQMORTWMXHK-UIOOFZCWSA-N -1 0 529.593 2.928 1 0 KFAFRM CN(CC(=O)NC[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1)C(=O)c1ccc(NC(=O)NCc2ccccc2)o1 ZINC000029205813 562005075 /nfs/dbraw/zinc/00/50/75/562005075.db2.gz RHBJBHPMIXWECR-OAQYLSRUSA-N -1 0 565.583 2.559 1 0 KFAFRM CCN(CC)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(=O)[O-])c1 ZINC000029206322 562005208 /nfs/dbraw/zinc/00/52/08/562005208.db2.gz WTAZTWLCPYWDLE-NGDRWEMDSA-N -1 0 628.726 2.905 1 0 KFAFRM CCN(CC)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(=O)[O-])c1 ZINC000029206328 562005222 /nfs/dbraw/zinc/00/52/22/562005222.db2.gz WTAZTWLCPYWDLE-DTXPUJKBSA-N -1 0 628.726 2.905 1 0 KFAFRM CC(C)C[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000029206532 562005220 /nfs/dbraw/zinc/00/52/20/562005220.db2.gz HDXLUIHHRNROGM-IZZNHLLZSA-N -1 0 547.656 2.969 1 0 KFAFRM O=C([O-])[C@H](Cc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000029207460 562005347 /nfs/dbraw/zinc/00/53/47/562005347.db2.gz CVEZXWLEEUCICX-NSOVKSMOSA-N -1 0 582.657 2.588 1 0 KFAFRM CC(C)C[C@H](NC(=O)NCC(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000029208066 562005391 /nfs/dbraw/zinc/00/53/91/562005391.db2.gz RJBXDYQFSZSRDW-LEWJYISDSA-N -1 0 501.628 2.546 1 0 KFAFRM CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000029208246 562005446 /nfs/dbraw/zinc/00/54/46/562005446.db2.gz KYSMGSMYRFISBI-FCHUYYIVSA-N -1 0 512.632 2.621 1 0 KFAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000029209523 562005551 /nfs/dbraw/zinc/00/55/51/562005551.db2.gz QAMIWBVQNOICHO-XZOQPEGZSA-N -1 0 513.639 2.786 1 0 KFAFRM CC(C)C[C@H](NC(=O)N1CCC(C)CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000029209538 562005552 /nfs/dbraw/zinc/00/55/52/562005552.db2.gz GSRUXCOSJXLLMZ-XZOQPEGZSA-N -1 0 513.639 2.642 1 0 KFAFRM CC(=O)Oc1ccc(/C=C/C(=O)OC[C@@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)[O-])cc1OC(C)=O ZINC000029209729 562005524 /nfs/dbraw/zinc/00/55/24/562005524.db2.gz FCFXPOHWDJLGDB-VNHMEPNSSA-N -1 0 598.513 2.654 1 0 KFAFRM CC(=O)Oc1ccc(/C=C/C(=O)OC[C@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)[O-])cc1OC(C)=O ZINC000029209734 562005531 /nfs/dbraw/zinc/00/55/31/562005531.db2.gz FCFXPOHWDJLGDB-CYUQMFCNSA-N -1 0 598.513 2.654 1 0 KFAFRM CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000029209847 562005693 /nfs/dbraw/zinc/00/56/93/562005693.db2.gz HDKNDQYKXXJCQF-BJKOFHAPSA-N -1 0 521.618 2.700 1 0 KFAFRM COc1cc(CN(CC[N@H+](CC(=O)[O-])Cc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc(OC)c1OC ZINC000029212754 562005995 /nfs/dbraw/zinc/00/59/95/562005995.db2.gz ZSWDVPLSRYBEAB-UHFFFAOYSA-N -1 0 522.551 2.805 1 0 KFAFRM NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(=O)[O-])c2ccccc2O)c2ccccc2O)c(Br)c1 ZINC000029244546 562010604 /nfs/dbraw/zinc/01/06/04/562010604.db2.gz HHWWPSHUEGDXOG-UHFFFAOYSA-N -1 0 593.456 2.544 1 0 KFAFRM COc1cc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)NCCc3ccccc3)ccc2c(Cl)c1OC ZINC000029321246 562013061 /nfs/dbraw/zinc/01/30/61/562013061.db2.gz XMZLSPVKGHJGDV-IBGZPJMESA-N -1 0 520.991 2.991 1 0 KFAFRM CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H](C(=O)NCCC(=O)[O-])C1 ZINC000029343066 562015740 /nfs/dbraw/zinc/01/57/40/562015740.db2.gz YWCSJVLQBGVZID-YADHBBJMSA-N -1 0 562.664 2.806 1 0 KFAFRM COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])nc(N2CCOCC2)n1 ZINC000029343194 562015776 /nfs/dbraw/zinc/01/57/76/562015776.db2.gz PEUXCIVFVOORRB-KRWDZBQOSA-N -1 0 548.387 2.779 1 0 KFAFRM COc1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])nc(S(C)(=O)=O)n1 ZINC000029343198 562015707 /nfs/dbraw/zinc/01/57/07/562015707.db2.gz QSZXYWSRMSJFDK-HNNXBMFYSA-N -1 0 540.385 2.951 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)CN1CCC=C(C(=O)[O-])C1 ZINC000029345188 562016122 /nfs/dbraw/zinc/01/61/22/562016122.db2.gz SRYNKMOXTSLRPE-GCRSFRQPSA-N -1 0 662.784 2.844 1 0 KFAFRM C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029347990 562016598 /nfs/dbraw/zinc/01/65/98/562016598.db2.gz MINDHVHHQZYEEK-KASZNFOCSA-N -1 0 500.629 2.593 1 0 KFAFRM COCCOc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000029388470 562016742 /nfs/dbraw/zinc/01/67/42/562016742.db2.gz DLLGQRYZARKEBS-SFTDATJTSA-N -1 0 545.441 2.984 1 0 KFAFRM CC(=O)COc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000029391297 562017380 /nfs/dbraw/zinc/01/73/80/562017380.db2.gz NOEWSRIYUKZVEG-SFTDATJTSA-N -1 0 543.425 2.926 1 0 KFAFRM CS(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](Cc1ccccc1)[P@](=O)([O-])CC1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCCC1 ZINC000029392969 562017790 /nfs/dbraw/zinc/01/77/90/562017790.db2.gz UBQFBYMIHFXWBF-AWCRTANDSA-N -1 0 703.799 2.842 1 0 KFAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@](=O)([O-])O ZINC000029403267 562020167 /nfs/dbraw/zinc/02/01/67/562020167.db2.gz GVAHUOPZUZXLJB-FKWFRFQNSA-N -1 0 682.715 2.632 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@](=O)([O-])O ZINC000029403272 562020160 /nfs/dbraw/zinc/02/01/60/562020160.db2.gz GVAHUOPZUZXLJB-QUAHOIDUSA-N -1 0 682.715 2.632 1 0 KFAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@H](=O)[O-] ZINC000029403276 562020121 /nfs/dbraw/zinc/02/01/21/562020121.db2.gz RGBKGYRQVGEQJB-FKWFRFQNSA-N -1 0 666.716 2.921 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@H](=O)[O-] ZINC000029403281 562020143 /nfs/dbraw/zinc/02/01/43/562020143.db2.gz RGBKGYRQVGEQJB-QUAHOIDUSA-N -1 0 666.716 2.921 1 0 KFAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCc4ccc(Cl)c(Cl)c4)C(=O)[O-])cc3)cnc2n1 ZINC000029405658 562020542 /nfs/dbraw/zinc/02/05/42/562020542.db2.gz NWENTCSFEAOENB-IBGZPJMESA-N -1 0 598.451 2.783 1 0 KFAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)NCc4ccc(Cl)c(Cl)c4)C(=O)[O-])cc3)cnc2n1 ZINC000029405661 562020592 /nfs/dbraw/zinc/02/05/92/562020592.db2.gz NWENTCSFEAOENB-LJQANCHMSA-N -1 0 598.451 2.783 1 0 KFAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)NC(=O)c2ccc3c(c2)OCO3)c1Br ZINC000029406468 562020644 /nfs/dbraw/zinc/02/06/44/562020644.db2.gz JHZBVAHDLOSSCU-UHFFFAOYSA-N -1 0 514.335 2.907 1 0 KFAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2cc3c(cc2CNS(C)(=O)=O)OCO3)c1Cl ZINC000029408819 562021332 /nfs/dbraw/zinc/02/13/32/562021332.db2.gz WSEWFQSMWHJQFF-UHFFFAOYSA-N -1 0 549.008 2.529 1 0 KFAFRM COc1cc(OC)c(NC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Cl)c(C(N)=O)c1 ZINC000029409234 562021362 /nfs/dbraw/zinc/02/13/62/562021362.db2.gz NJFUCLJMONYZBN-UHFFFAOYSA-N -1 0 500.942 2.867 1 0 KFAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCc4c(Cl)cccc4Cl)C(=O)[O-])cc3)cnc2n1 ZINC000029411176 562021727 /nfs/dbraw/zinc/02/17/27/562021727.db2.gz JQNLJIVHYFVUEO-IBGZPJMESA-N -1 0 598.451 2.783 1 0 KFAFRM Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)NCc4c(Cl)cccc4Cl)C(=O)[O-])cc3)cnc2n1 ZINC000029411179 562021715 /nfs/dbraw/zinc/02/17/15/562021715.db2.gz JQNLJIVHYFVUEO-LJQANCHMSA-N -1 0 598.451 2.783 1 0 KFAFRM COCc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(CNc2nc3ccccc3[nH]2)CC1 ZINC000029412602 562022103 /nfs/dbraw/zinc/02/21/03/562022103.db2.gz YWBCKDKMEQGQPG-VWLOTQADSA-N -1 0 589.653 2.974 1 0 KFAFRM Cc1cn(C[C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c(=O)nc1NCCC(=O)Nc1nc2ccccc2[nH]1 ZINC000029413510 562022303 /nfs/dbraw/zinc/02/23/03/562022303.db2.gz SMRUVUFTRBQZIV-LJQANCHMSA-N -1 0 547.572 2.638 1 0 KFAFRM Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1NCCCNc1nc2ccccc2[nH]1 ZINC000029414171 562022550 /nfs/dbraw/zinc/02/25/50/562022550.db2.gz SDPXYOAHPWSCEK-NRFANRHFSA-N -1 0 519.562 2.722 1 0 KFAFRM Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(Nc2nc3ccccc3[nH]2)CC1 ZINC000029416054 562022887 /nfs/dbraw/zinc/02/28/87/562022887.db2.gz CYIAZAFUQCTLTE-QHCPKHFHSA-N -1 0 545.600 2.889 1 0 KFAFRM COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@@H]2Cc2ccc(O)cc2)cc1O ZINC000029469755 562025356 /nfs/dbraw/zinc/02/53/56/562025356.db2.gz PEZLAFKDOMGSEL-KSFYIVLOSA-N -1 0 507.495 2.514 1 0 KFAFRM COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2C[NH2+]C[C@@H]2Cc2ccc(O)cc2)cc1O ZINC000029469759 562025289 /nfs/dbraw/zinc/02/52/89/562025289.db2.gz PEZLAFKDOMGSEL-AOMKIAJQSA-N -1 0 507.495 2.514 1 0 KFAFRM COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2C[NH2+]C[C@H]2Cc2ccc(O)cc2)cc1O ZINC000029469765 562025273 /nfs/dbraw/zinc/02/52/73/562025273.db2.gz PEZLAFKDOMGSEL-ZHRRBRCNSA-N -1 0 507.495 2.514 1 0 KFAFRM CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(-c2nn[nH]n2)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029474940 562026325 /nfs/dbraw/zinc/02/63/25/562026325.db2.gz KXFBWTYGBORVKO-ZEQRLZLVSA-N -1 0 623.711 2.800 1 0 KFAFRM CCCCCNC(=O)[C@H](Cc1ccc(OCC(N)=O)c(C(=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029476716 562026554 /nfs/dbraw/zinc/02/65/54/562026554.db2.gz VKBQWOATFAJKFI-ZEQRLZLVSA-N -1 0 598.697 2.719 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)ncc1C1CC1)c1ccc2c(c1)OCO2 ZINC000029479662 562027010 /nfs/dbraw/zinc/02/70/10/562027010.db2.gz JDAGFAQRQYOYIN-FQEVSTJZSA-N -1 0 546.584 2.547 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000029479884 562027124 /nfs/dbraw/zinc/02/71/24/562027124.db2.gz IOUVRURNYHOXNR-LCGRTSHQSA-N -1 0 620.541 2.920 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000029479887 562027120 /nfs/dbraw/zinc/02/71/20/562027120.db2.gz IOUVRURNYHOXNR-NLJWQWLVSA-N -1 0 620.541 2.920 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)nc(Cl)c1C1CC1)c1cccnc1 ZINC000029481276 562027403 /nfs/dbraw/zinc/02/74/03/562027403.db2.gz ZFIVYUYYCMBCTR-IBGZPJMESA-N -1 0 538.008 2.867 1 0 KFAFRM CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C)C(=O)C(F)(F)F ZINC000029557632 562032430 /nfs/dbraw/zinc/03/24/30/562032430.db2.gz JTBUXKMHYWYVHK-KURKYZTESA-N -1 0 528.528 2.794 1 0 KFAFRM CC(C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029557635 562032415 /nfs/dbraw/zinc/03/24/15/562032415.db2.gz JTBUXKMHYWYVHK-SQNIBIBYSA-N -1 0 528.528 2.794 1 0 KFAFRM O=C([O-])Cn1cc(Cc2cn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(SCc3ccc(F)cc3)nc2=O)cnc1=O ZINC000029558071 562032577 /nfs/dbraw/zinc/03/25/77/562032577.db2.gz BQCATWQQAULHNH-UHFFFAOYSA-N -1 0 639.109 2.909 1 0 KFAFRM CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])cc1)C(C)C)C(=O)C(F)(F)F ZINC000029558657 562032618 /nfs/dbraw/zinc/03/26/18/562032618.db2.gz ZONOMOGNJCYCIE-QCRQNLQRSA-N -1 0 539.551 2.802 1 0 KFAFRM CC(C)[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029558661 562032614 /nfs/dbraw/zinc/03/26/14/562032614.db2.gz ZONOMOGNJCYCIE-IMQSPWKJSA-N -1 0 539.551 2.802 1 0 KFAFRM CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])cc1)C(C)C)C(=O)C(F)(F)F ZINC000029558664 562032648 /nfs/dbraw/zinc/03/26/48/562032648.db2.gz ZONOMOGNJCYCIE-JZGBGHTLSA-N -1 0 539.551 2.802 1 0 KFAFRM CC(C)[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029558668 562032626 /nfs/dbraw/zinc/03/26/26/562032626.db2.gz ZONOMOGNJCYCIE-YLHJEMTPSA-N -1 0 539.551 2.802 1 0 KFAFRM CC(C)[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000029560513 562033042 /nfs/dbraw/zinc/03/30/42/562033042.db2.gz QIQMPZYAVPKQKL-XHTHIGMCSA-N -1 0 730.741 2.590 1 0 KFAFRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1)N1CC[C@H](NC(=O)OCc2ccccc2)C1=O ZINC000029567461 562034694 /nfs/dbraw/zinc/03/46/94/562034694.db2.gz XNQJHSCCDHTITC-NYVOZVTQSA-N -1 0 645.591 2.714 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000029567596 562034803 /nfs/dbraw/zinc/03/48/03/562034803.db2.gz XZTXUQKRQVTNND-FKBYEOEOSA-N -1 0 677.494 2.502 1 0 KFAFRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12)C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000029569296 562035193 /nfs/dbraw/zinc/03/51/93/562035193.db2.gz LNFAFKBNOGXETQ-HJOGWXRNSA-N -1 0 714.654 2.622 1 0 KFAFRM [NH3+][C@@H](Cc1ccc(Oc2ccc(OS(=O)(=O)[O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000031706818 562036361 /nfs/dbraw/zinc/03/63/61/562036361.db2.gz NBAZIIRGURJZJA-LBPRGKRZSA-N -1 0 605.144 2.824 1 0 in-vitro KFAFRM [NH3+][C@H](Cc1ccc(Oc2ccc(OS(=O)(=O)[O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000031706823 562036358 /nfs/dbraw/zinc/03/63/58/562036358.db2.gz NBAZIIRGURJZJA-GFCCVEGCSA-N -1 0 605.144 2.824 1 0 KFAFRM O=C(OC[C@@H]1O[C@H](c2nnn[n-]2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000031871665 562036611 /nfs/dbraw/zinc/03/66/11/562036611.db2.gz LYFJYZSVRFEBQB-BJESRGMDSA-N -1 0 514.494 2.948 1 0 KFAFRM COc1ccc(-c2oc3c(CC=C(C)C)c([O-])cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000034199143 291765380 /nfs/dbraw/zinc/76/53/80/291765380.db2.gz NGMYNFJANBHLKA-PKADWCSHSA-N -1 0 514.527 2.595 1 0 biogenic,in-vitro KFAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCC[C@H](N(C)S(C)(=O)=O)C3)cc2)cc1 ZINC000034801748 562041511 /nfs/dbraw/zinc/04/15/11/562041511.db2.gz CPDXTLZUFAYJLD-IPJJNNNSSA-N -1 0 510.634 2.544 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2F)S(=O)(=O)[N-]1 ZINC000036088401 562046146 /nfs/dbraw/zinc/04/61/46/562046146.db2.gz HOQITEINXLYXTR-VXKWHMMOSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088451 562046254 /nfs/dbraw/zinc/04/62/54/562046254.db2.gz VRFWMWDKZZMHGY-YADHBBJMSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088455 562046261 /nfs/dbraw/zinc/04/62/61/562046261.db2.gz VRFWMWDKZZMHGY-VXKWHMMOSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088458 562046286 /nfs/dbraw/zinc/04/62/86/562046286.db2.gz VRFWMWDKZZMHGY-FGZHOGPDSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088461 562046264 /nfs/dbraw/zinc/04/62/64/562046264.db2.gz VRFWMWDKZZMHGY-FCHUYYIVSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088493 562046269 /nfs/dbraw/zinc/04/62/69/562046269.db2.gz FAALJQOGTJOOFY-IRLDBZIGSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088496 562046314 /nfs/dbraw/zinc/04/63/14/562046314.db2.gz FAALJQOGTJOOFY-UNMCSNQZSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088500 562046318 /nfs/dbraw/zinc/04/63/18/562046318.db2.gz FAALJQOGTJOOFY-IFMALSPDSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088504 562046282 /nfs/dbraw/zinc/04/62/82/562046282.db2.gz FAALJQOGTJOOFY-RBBKRZOGSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088538 562046324 /nfs/dbraw/zinc/04/63/24/562046324.db2.gz MKJMILQLYQFSMD-RTWAWAEBSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088542 562046330 /nfs/dbraw/zinc/04/63/30/562046330.db2.gz MKJMILQLYQFSMD-SFTDATJTSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088546 562046247 /nfs/dbraw/zinc/04/62/47/562046247.db2.gz MKJMILQLYQFSMD-NHCUHLMSSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088549 562046328 /nfs/dbraw/zinc/04/63/28/562046328.db2.gz MKJMILQLYQFSMD-LEWJYISDSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088629 562046409 /nfs/dbraw/zinc/04/64/09/562046409.db2.gz TZSWCNIVVBIBKO-YADHBBJMSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088633 562046356 /nfs/dbraw/zinc/04/63/56/562046356.db2.gz TZSWCNIVVBIBKO-VXKWHMMOSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088636 562046362 /nfs/dbraw/zinc/04/63/62/562046362.db2.gz TZSWCNIVVBIBKO-FGZHOGPDSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088639 562046366 /nfs/dbraw/zinc/04/63/66/562046366.db2.gz TZSWCNIVVBIBKO-FCHUYYIVSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088686 562046529 /nfs/dbraw/zinc/04/65/29/562046529.db2.gz XKRAIYVCHTUOQL-IRLDBZIGSA-N -1 0 528.587 2.855 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088690 562046526 /nfs/dbraw/zinc/04/65/26/562046526.db2.gz XKRAIYVCHTUOQL-UNMCSNQZSA-N -1 0 528.587 2.855 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088693 562046520 /nfs/dbraw/zinc/04/65/20/562046520.db2.gz XKRAIYVCHTUOQL-IFMALSPDSA-N -1 0 528.587 2.855 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088697 562046542 /nfs/dbraw/zinc/04/65/42/562046542.db2.gz XKRAIYVCHTUOQL-RBBKRZOGSA-N -1 0 528.587 2.855 1 0 KFAFRM COc1cccc(S(=O)(=O)N[C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1 ZINC000036088705 562046515 /nfs/dbraw/zinc/04/65/15/562046515.db2.gz YGFRTSPJHCKERI-GOTSBHOMSA-N -1 0 540.623 2.725 1 0 KFAFRM COc1cccc(S(=O)(=O)N[C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1 ZINC000036088708 562046516 /nfs/dbraw/zinc/04/65/16/562046516.db2.gz YGFRTSPJHCKERI-PKTZIBPZSA-N -1 0 540.623 2.725 1 0 KFAFRM COc1cccc(S(=O)(=O)N[C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1 ZINC000036088711 562046528 /nfs/dbraw/zinc/04/65/28/562046528.db2.gz YGFRTSPJHCKERI-XZOQPEGZSA-N -1 0 540.623 2.725 1 0 KFAFRM COc1cccc(S(=O)(=O)N[C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1 ZINC000036088715 562046548 /nfs/dbraw/zinc/04/65/48/562046548.db2.gz YGFRTSPJHCKERI-DHIUTWEWSA-N -1 0 540.623 2.725 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3c(F)cccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088734 562046517 /nfs/dbraw/zinc/04/65/17/562046517.db2.gz OHSIXKORPOKWMH-RTWAWAEBSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3c(F)cccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088738 562046533 /nfs/dbraw/zinc/04/65/33/562046533.db2.gz OHSIXKORPOKWMH-SFTDATJTSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3c(F)cccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088741 562046539 /nfs/dbraw/zinc/04/65/39/562046539.db2.gz OHSIXKORPOKWMH-NHCUHLMSSA-N -1 0 546.577 2.994 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3c(F)cccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088744 562046546 /nfs/dbraw/zinc/04/65/46/562046546.db2.gz OHSIXKORPOKWMH-LEWJYISDSA-N -1 0 546.577 2.994 1 0 KFAFRM COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000036088901 562046812 /nfs/dbraw/zinc/04/68/12/562046812.db2.gz QJUBUUVBIMQGRE-GOTSBHOMSA-N -1 0 540.623 2.725 1 0 KFAFRM COc1ccc(S(=O)(=O)N[C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000036088904 562046747 /nfs/dbraw/zinc/04/67/47/562046747.db2.gz QJUBUUVBIMQGRE-PKTZIBPZSA-N -1 0 540.623 2.725 1 0 KFAFRM COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000036088909 562046814 /nfs/dbraw/zinc/04/68/14/562046814.db2.gz QJUBUUVBIMQGRE-XZOQPEGZSA-N -1 0 540.623 2.725 1 0 KFAFRM COc1ccc(S(=O)(=O)N[C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000036088912 562046810 /nfs/dbraw/zinc/04/68/10/562046810.db2.gz QJUBUUVBIMQGRE-DHIUTWEWSA-N -1 0 540.623 2.725 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088931 562046781 /nfs/dbraw/zinc/04/67/81/562046781.db2.gz RNRQTNIFZXXHQT-YADHBBJMSA-N -1 0 528.587 2.855 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088935 562046736 /nfs/dbraw/zinc/04/67/36/562046736.db2.gz RNRQTNIFZXXHQT-FGZHOGPDSA-N -1 0 528.587 2.855 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088938 562046806 /nfs/dbraw/zinc/04/68/06/562046806.db2.gz WJRHNFYXCFLTKZ-YADHBBJMSA-N -1 0 528.587 2.855 1 0 KFAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088941 562046749 /nfs/dbraw/zinc/04/67/49/562046749.db2.gz WJRHNFYXCFLTKZ-VXKWHMMOSA-N -1 0 528.587 2.855 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088945 562046752 /nfs/dbraw/zinc/04/67/52/562046752.db2.gz WJRHNFYXCFLTKZ-FGZHOGPDSA-N -1 0 528.587 2.855 1 0 KFAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088948 562046788 /nfs/dbraw/zinc/04/67/88/562046788.db2.gz WJRHNFYXCFLTKZ-FCHUYYIVSA-N -1 0 528.587 2.855 1 0 KFAFRM COc1cc(C)c(Sc2cnc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000036184862 562050529 /nfs/dbraw/zinc/05/05/29/562050529.db2.gz FTMLRRDOVOHUFS-CABCVRRESA-N -1 0 518.617 2.575 1 0 KFAFRM COc1cc(C)c(Sc2cnc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000036184863 562050538 /nfs/dbraw/zinc/05/05/38/562050538.db2.gz FTMLRRDOVOHUFS-GJZGRUSLSA-N -1 0 518.617 2.575 1 0 KFAFRM COc1cc(C)c(Sc2cnc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000036184864 562050532 /nfs/dbraw/zinc/05/05/32/562050532.db2.gz FTMLRRDOVOHUFS-HUUCEWRRSA-N -1 0 518.617 2.575 1 0 KFAFRM COc1cc(C)c(Sc2cnc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000036184865 562050492 /nfs/dbraw/zinc/05/04/92/562050492.db2.gz FTMLRRDOVOHUFS-LSDHHAIUSA-N -1 0 518.617 2.575 1 0 KFAFRM CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C(=O)Cc1ccccc1)[C@H](O)C(=O)[O-])C(C)C ZINC000036188248 562050852 /nfs/dbraw/zinc/05/08/52/562050852.db2.gz SJQDGCJFSZEKAG-OWFCJLNUSA-N -1 0 534.694 2.576 1 0 KFAFRM CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](C(=O)Cc1ccccc1)[C@H](O)C(=O)[O-])C(C)C ZINC000036188252 562050881 /nfs/dbraw/zinc/05/08/81/562050881.db2.gz SJQDGCJFSZEKAG-RGNSQGFOSA-N -1 0 534.694 2.576 1 0 KFAFRM Cn1nc(C[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1S(=O)(=O)CCc1ccc2c(n1)NCCC2 ZINC000036269291 562052913 /nfs/dbraw/zinc/05/29/13/562052913.db2.gz CTOPQASYIWIPDN-SFHVURJKSA-N -1 0 512.588 2.719 1 0 KFAFRM Cn1nc(C[C@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1S(=O)(=O)CCc1ccc2c(n1)NCCC2 ZINC000036269295 562052928 /nfs/dbraw/zinc/05/29/28/562052928.db2.gz CTOPQASYIWIPDN-GOSISDBHSA-N -1 0 512.588 2.719 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-] ZINC000036295305 562054852 /nfs/dbraw/zinc/05/48/52/562054852.db2.gz YFYJTMYWPJCXPG-GCLMUHHRSA-N -1 0 501.665 2.823 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-] ZINC000036295327 562054875 /nfs/dbraw/zinc/05/48/75/562054875.db2.gz QJVBGGFSEUUFEP-SBPVMYIFSA-N -1 0 501.665 2.823 1 0 KFAFRM CSCC[C@H](NC(=O)CN1C(=O)N(CCCc2c[nH]cn2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330403 562055839 /nfs/dbraw/zinc/05/58/39/562055839.db2.gz OEMBXAJIJLOISQ-CUNXSJBXSA-N -1 0 537.642 2.998 1 0 KFAFRM CSCC[C@H](NC(=O)CN1C(=O)N(CCCc2c[nH]cn2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330404 562055742 /nfs/dbraw/zinc/05/57/42/562055742.db2.gz OEMBXAJIJLOISQ-WXVAWEFUSA-N -1 0 537.642 2.998 1 0 KFAFRM CSCC[C@H](NC(=O)CN1C(=O)N(CCc2c[nH]cn2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330437 562055783 /nfs/dbraw/zinc/05/57/83/562055783.db2.gz KAZRGJXVBVPWLA-LVXARBLLSA-N -1 0 523.615 2.608 1 0 KFAFRM CSCC[C@H](NC(=O)CN1C(=O)N(CCc2c[nH]cn2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330438 562055818 /nfs/dbraw/zinc/05/58/18/562055818.db2.gz KAZRGJXVBVPWLA-HFZDXXHNSA-N -1 0 523.615 2.608 1 0 KFAFRM O=C([O-])[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000036330741 562055935 /nfs/dbraw/zinc/05/59/35/562055935.db2.gz WQPOVPBTIHMXFJ-GOTSBHOMSA-N -1 0 500.640 2.982 1 0 KFAFRM O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccccc4)c3)cc21 ZINC000036338505 562057015 /nfs/dbraw/zinc/05/70/15/562057015.db2.gz WBDQJMDMOVDHIN-UHFFFAOYSA-N -1 0 501.421 2.906 1 0 KFAFRM O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)NCc4ccccc4)c3)cc21 ZINC000036338508 562057005 /nfs/dbraw/zinc/05/70/05/562057005.db2.gz RSWNHIRFWDYIOD-UHFFFAOYSA-N -1 0 515.448 2.583 1 0 KFAFRM CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCCC(=O)[O-])NC(=O)[C@H]2CCCCN2CC1=O ZINC000036338645 562057031 /nfs/dbraw/zinc/05/70/31/562057031.db2.gz PRFWXXWMOYTDHF-AZDSTDOASA-N -1 0 639.794 2.605 1 0 KFAFRM O=S(=O)([N-]C[C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1c(F)cccc1F ZINC000036380431 562059736 /nfs/dbraw/zinc/05/97/36/562059736.db2.gz CAYDKLHVEUTOIC-CVEARBPZSA-N -1 0 516.588 2.799 1 0 KFAFRM O=S(=O)([N-]CC1CCC(NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1c(F)cccc1F ZINC000036380730 562059760 /nfs/dbraw/zinc/05/97/60/562059760.db2.gz PZGZDNRHQQUFLI-UHFFFAOYSA-N -1 0 502.561 2.552 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C(=O)COc1ccccc1)[C@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1 ZINC000036774634 562061404 /nfs/dbraw/zinc/06/14/04/562061404.db2.gz MRCDCBFNFBQWQV-KJMBSTGJSA-N -1 0 684.831 2.839 1 0 KFAFRM COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000038854231 562072406 /nfs/dbraw/zinc/07/24/06/562072406.db2.gz RFARYVQJZDNVPQ-UHFFFAOYSA-N -1 0 515.382 2.683 1 0 KFAFRM COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OS(=O)(=O)[O-])=C1c1ccc(O)cc1 ZINC000040392713 562073866 /nfs/dbraw/zinc/07/38/66/562073866.db2.gz QRQVCSIFYBTLJW-XMMPIXPASA-N -1 0 504.513 2.848 1 0 KFAFRM COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)NCc2cccc(Br)c2)cc(OC)c1OC ZINC000040411168 562075324 /nfs/dbraw/zinc/07/53/24/562075324.db2.gz VSRQAGFMXSCXSN-MRXNPFEDSA-N -1 0 509.353 2.755 1 0 KFAFRM CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000040514713 562077646 /nfs/dbraw/zinc/07/76/46/562077646.db2.gz YTZTWGOTWKLHCE-FKBYEOEOSA-N -1 0 507.524 2.664 1 0 KFAFRM CO[C@]12CCCC[C@]1(OC)O[C@@H]1[C@@H](OCc3ccccc3)[C@H](OCC(=O)[O-])O[C@@H](COC(C)C)[C@H]1O2 ZINC000040737953 562079201 /nfs/dbraw/zinc/07/92/01/562079201.db2.gz BSYUFSNEZMSCSY-IXZITBLKSA-N -1 0 510.580 2.866 1 0 KFAFRM CO[C@]12CCCC[C@]1(OC)O[C@H]1[C@H](COC(C)C)O[C@@H](OCC(=O)[O-])[C@H](OCc3ccccc3)[C@H]1O2 ZINC000040737956 562079243 /nfs/dbraw/zinc/07/92/43/562079243.db2.gz BSYUFSNEZMSCSY-OPDRTAFHSA-N -1 0 510.580 2.866 1 0 KFAFRM COc1ccc(NC(=S)[N-]S(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000040880690 562082567 /nfs/dbraw/zinc/08/25/67/562082567.db2.gz KVEPIEBZLVCHJA-UHFFFAOYSA-N -1 0 505.643 2.892 1 0 KFAFRM Cn1c(=O)cc(N2CCN(CCCN3c4ccccc4Sc4ccc(C(=O)[O-])cc43)CC2)n(C)c1=O ZINC000043021714 562644925 /nfs/dbraw/zinc/64/49/25/562644925.db2.gz PPLDJNZKOFVZGW-UHFFFAOYSA-N -1 0 507.616 2.597 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NC3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000043059416 562645102 /nfs/dbraw/zinc/64/51/02/562645102.db2.gz KNBUJJVQJZAVBH-QHCPKHFHSA-N -1 0 567.643 2.603 1 0 KFAFRM CC(C)CCn1c2ccsc2c([O-])c(C2=NS(=O)(=O)c3cc(O[C@H](C)C(N)=O)ccc3N2)c1=O ZINC000043069111 562645448 /nfs/dbraw/zinc/64/54/48/562645448.db2.gz GKMQPSDSAWQSEV-GFCCVEGCSA-N -1 0 504.590 2.628 1 0 KFAFRM CCCNc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 ZINC000043073937 562645627 /nfs/dbraw/zinc/64/56/27/562645627.db2.gz QIBTUTJUGMWHDQ-NRFANRHFSA-N -1 0 525.606 2.834 1 0 KFAFRM Cn1c(=O)cc(N2CCN(CCCN3c4ccccc4Sc4ccc(CC(=O)[O-])cc43)CC2)n(C)c1=O ZINC000043074046 562645625 /nfs/dbraw/zinc/64/56/25/562645625.db2.gz BACLISNXCXJOMR-UHFFFAOYSA-N -1 0 521.643 2.526 1 0 KFAFRM O=S(=O)([N-][C@H]1CC12CCN(S(=O)(=O)c1cc3ccccc3n1S(=O)(=O)c1ccccc1F)CC2)C(F)(F)F ZINC000043103655 562645975 /nfs/dbraw/zinc/64/59/75/562645975.db2.gz ZKCNEOIXQJGFAC-IBGZPJMESA-N -1 0 595.618 3.000 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N(CC)CC)cc(-c3ccccc3)n2)CC1 ZINC000043120864 562646152 /nfs/dbraw/zinc/64/61/52/562646152.db2.gz OKKXRWPAEVRAQO-QFIPXVFZSA-N -1 0 539.633 2.859 1 0 KFAFRM Cn1c(=O)cc(N2CCN(CCCN3c4ccccc4Sc4ccc(CCC(=O)[O-])cc43)CC2)n(C)c1=O ZINC000043121157 562646133 /nfs/dbraw/zinc/64/61/33/562646133.db2.gz RIUIDVINUPJOQH-UHFFFAOYSA-N -1 0 535.670 2.916 1 0 KFAFRM COC(=O)Nc1cc(C(=O)Nc2cc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])n(C)c2)n(C)c1 ZINC000043123406 562646252 /nfs/dbraw/zinc/64/62/52/562646252.db2.gz BJHFIOLHUHEXSS-IBGZPJMESA-N -1 0 506.519 2.701 1 0 KFAFRM COC(=O)Nc1cc(C(=O)Nc2cc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])n(C)c2)n(C)c1 ZINC000043123409 562646251 /nfs/dbraw/zinc/64/62/51/562646251.db2.gz BJHFIOLHUHEXSS-LJQANCHMSA-N -1 0 506.519 2.701 1 0 KFAFRM O=C(c1ccc(I)cc1[N-]S(=O)(=O)c1cccc2nccnc21)N1CCOCC1 ZINC000043196286 562646779 /nfs/dbraw/zinc/64/67/79/562646779.db2.gz ZGNZXTPZDMUKIG-UHFFFAOYSA-N -1 0 524.340 2.508 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC(C)(C)C(=O)OCC)c3ccc(C)cc3n2)CC1 ZINC000043199845 562646859 /nfs/dbraw/zinc/64/68/59/562646859.db2.gz PHDMSNZRDFPYNQ-FQEVSTJZSA-N -1 0 586.642 2.528 1 0 in-vitro KFAFRM O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1)c1ccc2[nH]c(=O)cc([O-])c2c1 ZINC000043201618 562646898 /nfs/dbraw/zinc/64/68/98/562646898.db2.gz JAUUPTJHJIUVMZ-QHCPKHFHSA-N -1 0 557.998 2.563 1 0 in-vitro KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 ZINC000043208329 562647159 /nfs/dbraw/zinc/64/71/59/562647159.db2.gz JYWHVURROUEYNL-VJBWXMMDSA-N -1 0 581.670 2.938 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc([C@H]3C[C@H]3COC)nc(-c3ccccc3)n2)CC1 ZINC000043208331 562647158 /nfs/dbraw/zinc/64/71/58/562647158.db2.gz JYWHVURROUEYNL-VABKMULXSA-N -1 0 581.670 2.938 1 0 KFAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1Br ZINC000043322308 562647660 /nfs/dbraw/zinc/64/76/60/562647660.db2.gz ZNEHREIXAZPVNE-UHFFFAOYSA-N -1 0 520.858 2.866 1 0 KFAFRM O=C([O-])[C@@H]1CC=CC(=O)[C@@H]1C(=O)c1ccc(C(=O)O[C@H]2CCCOC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000043677135 562650753 /nfs/dbraw/zinc/65/07/53/562650753.db2.gz IBRAPAZCYFZVRR-MYSJAJEPSA-N -1 0 537.521 2.744 1 0 KFAFRM O=C([O-])[C@@H]1CC=CC(=O)[C@H]1C(=O)c1ccc(C(=O)O[C@H]2CCCOC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000043677137 562650728 /nfs/dbraw/zinc/65/07/28/562650728.db2.gz IBRAPAZCYFZVRR-CHOVIJNXSA-N -1 0 537.521 2.744 1 0 KFAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1I ZINC000044247063 562652732 /nfs/dbraw/zinc/65/27/32/562652732.db2.gz MFNLZDZIXPXABI-UHFFFAOYSA-N -1 0 567.858 2.708 1 0 KFAFRM CO[C@@H](/C=C/CC/C=C/C(=O)[O-])[C@@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000044418879 562657369 /nfs/dbraw/zinc/65/73/69/562657369.db2.gz HJCZOTBHYAPUHT-LPYGBFRZSA-N -1 0 507.624 2.711 1 0 in-vitro KFAFRM CO[C@@H](/C=C/CC/C=C/C(=O)[O-])[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000044418883 562657367 /nfs/dbraw/zinc/65/73/67/562657367.db2.gz HJCZOTBHYAPUHT-FFMZNCFZSA-N -1 0 507.624 2.711 1 0 KFAFRM COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)NCc2ccc(Br)cc2F)cc(OC)c1OC ZINC000044430504 562657575 /nfs/dbraw/zinc/65/75/75/562657575.db2.gz ZSUBNFVJGMRAEZ-MRXNPFEDSA-N -1 0 527.343 2.894 1 0 KFAFRM COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)NCc2cccc(I)c2)cc(OC)c1OC ZINC000044431823 562657930 /nfs/dbraw/zinc/65/79/30/562657930.db2.gz BXJNUUXUWSKOHW-MRXNPFEDSA-N -1 0 556.353 2.597 1 0 KFAFRM CCc1cc2c(nc(NC(=O)NCCC(=O)[O-])nc2N2CCN(C(=O)COc3ccccc3)CC2)s1 ZINC000045245923 562659794 /nfs/dbraw/zinc/65/97/94/562659794.db2.gz NZLROLVZBANOOK-UHFFFAOYSA-N -1 0 512.592 2.578 1 0 KFAFRM CCc1cc2c(nc(NC(=O)NCCC(=O)[O-])nc2N2CCN(C(=O)CCOc3ccccc3)CC2)s1 ZINC000045316291 562660911 /nfs/dbraw/zinc/66/09/11/562660911.db2.gz AHEBWSLJMXSMMY-UHFFFAOYSA-N -1 0 526.619 2.968 1 0 KFAFRM O=C([O-])CCN1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000045336355 562661398 /nfs/dbraw/zinc/66/13/98/562661398.db2.gz CINMAWWAAKERIH-UHFFFAOYSA-N -1 0 520.551 2.756 1 0 KFAFRM O=C([O-])CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC2CCCC2)CC1 ZINC000045355927 562661896 /nfs/dbraw/zinc/66/18/96/562661896.db2.gz KZIQWYAGHMPUFQ-QHCPKHFHSA-N -1 0 508.575 2.935 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(=O)cc(-c3ccccc3)[nH]2)CC1 ZINC000045356287 562661906 /nfs/dbraw/zinc/66/19/06/562661906.db2.gz MZHQQCDSQNGZCM-NRFANRHFSA-N -1 0 526.590 2.888 1 0 KFAFRM O=C([O-])CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC2CCC2)CC1 ZINC000045356556 562661913 /nfs/dbraw/zinc/66/19/13/562661913.db2.gz OCSBJSNLDROCGE-QHCPKHFHSA-N -1 0 508.575 2.793 1 0 KFAFRM O=C([O-])CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000045357552 562661929 /nfs/dbraw/zinc/66/19/29/562661929.db2.gz PMHTVAJQFYOXGH-IBGZPJMESA-N -1 0 522.480 2.555 1 0 KFAFRM O=C([O-])CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCC2CC2)CC1 ZINC000045368775 562662130 /nfs/dbraw/zinc/66/21/30/562662130.db2.gz OPLKSTGTYCOYFI-QHCPKHFHSA-N -1 0 508.575 2.793 1 0 KFAFRM CCCOc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 ZINC000045389457 562662511 /nfs/dbraw/zinc/66/25/11/562662511.db2.gz PUPSDODQAPCXQJ-NRFANRHFSA-N -1 0 526.590 2.801 1 0 KFAFRM CO[C@@H](/C=C/CC/C=C/C(=O)[O-])[C@@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000045496627 562662659 /nfs/dbraw/zinc/66/26/59/562662659.db2.gz YQDJUXPUIRGKNV-NRWIMSPQSA-N -1 0 507.624 2.711 1 0 in-vitro KFAFRM CO[C@@H](/C=C/CC/C=C/C(=O)[O-])[C@@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000045496629 562662660 /nfs/dbraw/zinc/66/26/60/562662660.db2.gz YQDJUXPUIRGKNV-PISLCXBGSA-N -1 0 507.624 2.711 1 0 KFAFRM Cc1cc(S(=O)(=O)NCC(=O)[O-])ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 ZINC000049033655 562663455 /nfs/dbraw/zinc/66/34/55/562663455.db2.gz RPSCCGWFQDERCL-UHFFFAOYSA-N -1 0 501.609 2.949 1 0 KFAFRM C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1 ZINC000049071358 562664129 /nfs/dbraw/zinc/66/41/29/562664129.db2.gz QNJUIJYMNKFBHK-VWLOTQADSA-N -1 0 513.487 2.839 1 0 KFAFRM O=C([O-])[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1coc(-c2ccccc2)n1 ZINC000049590176 562664910 /nfs/dbraw/zinc/66/49/10/562664910.db2.gz XOASQIZBZGSXPJ-NSOVKSMOSA-N -1 0 620.666 2.856 1 0 KFAFRM CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-] ZINC000049600146 562665044 /nfs/dbraw/zinc/66/50/44/562665044.db2.gz NHYGKDYDTKGEIW-VWLOTQADSA-N -1 0 686.799 2.772 1 0 KFAFRM CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-] ZINC000049600151 562665039 /nfs/dbraw/zinc/66/50/39/562665039.db2.gz NHYGKDYDTKGEIW-RUZDIDTESA-N -1 0 686.799 2.772 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 ZINC000049650120 562667985 /nfs/dbraw/zinc/66/79/85/562667985.db2.gz ZQAMEULSVFQGJW-VWLOTQADSA-N -1 0 645.779 2.664 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049677771 562668340 /nfs/dbraw/zinc/66/83/40/562668340.db2.gz YAMLVDXZRGDJAN-NDEPHWFRSA-N -1 0 679.819 2.879 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(CC(=O)NC)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049677874 562668391 /nfs/dbraw/zinc/66/83/91/562668391.db2.gz ZGJOIKGPFOECAU-SANMLTNESA-N -1 0 665.792 2.930 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCO)CC3)n2)CC1 ZINC000049678059 562668408 /nfs/dbraw/zinc/66/84/08/562668408.db2.gz FQOAMXCZSHIBAL-SANMLTNESA-N -1 0 654.765 2.556 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCOCC4)CC3)n2)CC1 ZINC000049678121 562668495 /nfs/dbraw/zinc/66/84/95/562668495.db2.gz GUGIJIRBKATBAC-NDEPHWFRSA-N -1 0 679.819 2.879 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC(OCC)C3)nc(-c3ccccc3)n2)CC1 ZINC000049678398 562668542 /nfs/dbraw/zinc/66/85/42/562668542.db2.gz RHDIKXVQQLTBEO-DEOSSOPVSA-N -1 0 610.712 2.803 1 0 KFAFRM CCc1cc2c(nc(NC(=O)NCCC(=O)[O-])nc2N2CCN(C(=O)COc3cccc(OC)c3)CC2)s1 ZINC000049678909 562668680 /nfs/dbraw/zinc/66/86/80/562668680.db2.gz ZKQQDWXQTAUEOE-UHFFFAOYSA-N -1 0 542.618 2.586 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccc(I)cc4)CC3)nc21 ZINC000049678981 562668688 /nfs/dbraw/zinc/66/86/88/562668688.db2.gz GYOHNVIPPJBIHB-UHFFFAOYSA-N -1 0 564.409 2.633 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCCOC)nc(-c3ccccc3)n2)CC1 ZINC000049679200 562668790 /nfs/dbraw/zinc/66/87/90/562668790.db2.gz JWRHFTGJLNGSTG-QFIPXVFZSA-N -1 0 584.674 2.636 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCCN3CCOCC3)nc(-c3ccccc3)n2)CC1 ZINC000049679273 562668856 /nfs/dbraw/zinc/66/88/56/562668856.db2.gz OTPVYTZQPGECTK-SANMLTNESA-N -1 0 654.765 2.679 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(NCCOC)cc(-c3ccccc3)n2)CC1 ZINC000049679380 562668830 /nfs/dbraw/zinc/66/88/30/562668830.db2.gz YBSDQGBRPKMWQR-QFIPXVFZSA-N -1 0 584.674 2.636 1 0 KFAFRM CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)[O-])C(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)N1 ZINC000049679470 562668872 /nfs/dbraw/zinc/66/88/72/562668872.db2.gz UQIBYWVWCZGXRK-FUTPGTCUSA-N -1 0 566.699 2.826 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049679497 562668888 /nfs/dbraw/zinc/66/88/88/562668888.db2.gz ZTMYBEABVWIVAC-DEOSSOPVSA-N -1 0 610.712 2.803 1 0 KFAFRM O=C(OC1([C@H]2COC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@H]([N-]S(=O)(=O)C(F)(F)F)C1 ZINC000049679648 562668992 /nfs/dbraw/zinc/66/89/92/562668992.db2.gz ORHPKFAQDLRRDR-YTQUADARSA-N -1 0 602.053 2.691 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(SCCO)nc(-c3ccccc3)n2)CC1 ZINC000049679914 562669063 /nfs/dbraw/zinc/66/90/63/562669063.db2.gz BHRRQKCXMMILKK-NRFANRHFSA-N -1 0 587.699 2.662 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049679966 562669056 /nfs/dbraw/zinc/66/90/56/562669056.db2.gz IMQMUOAXQSNTDV-SANMLTNESA-N -1 0 665.792 2.930 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(OCCCN3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000049680080 562669088 /nfs/dbraw/zinc/66/90/88/562669088.db2.gz IFJJFBIHRGTSBT-SANMLTNESA-N -1 0 654.765 2.679 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049694475 562669371 /nfs/dbraw/zinc/66/93/71/562669371.db2.gz QXPXXKHDAQTBBU-SANMLTNESA-N -1 0 665.792 2.882 1 0 KFAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)[C@@H]2CN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C(=O)[O-])C(=O)OC(C)(C)C)c(C)c1 ZINC000049694560 562669496 /nfs/dbraw/zinc/66/94/96/562669496.db2.gz CWOLMRLBMKWCNE-CYXNTTPDSA-N -1 0 708.875 2.913 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 ZINC000049694562 562669477 /nfs/dbraw/zinc/66/94/77/562669477.db2.gz QSQZAAXOWHAIHP-QFIPXVFZSA-N -1 0 585.658 2.603 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(OCCOC)cc(-c3ccccc3)n2)CC1 ZINC000049694563 562669519 /nfs/dbraw/zinc/66/95/19/562669519.db2.gz MBKRUNMEAGPEHL-QFIPXVFZSA-N -1 0 585.658 2.603 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC[C@@H]3CCCO3)nc(-c3ccccc3)n2)CC1 ZINC000049694564 562669495 /nfs/dbraw/zinc/66/94/95/562669495.db2.gz CMPXHRVOTWOKFI-GOTSBHOMSA-N -1 0 597.669 2.746 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC[C@H]3CCCO3)nc(-c3ccccc3)n2)CC1 ZINC000049694565 562669476 /nfs/dbraw/zinc/66/94/76/562669476.db2.gz CMPXHRVOTWOKFI-PKTZIBPZSA-N -1 0 597.669 2.746 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(OCCO)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049694585 562669494 /nfs/dbraw/zinc/66/94/94/562669494.db2.gz IWRWBWOLICVAAY-SANMLTNESA-N -1 0 654.765 2.556 1 0 KFAFRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000049695224 562670290 /nfs/dbraw/zinc/67/02/90/562670290.db2.gz MFRBEEFZCWWEBB-SFTDATJTSA-N -1 0 614.606 2.821 1 0 KFAFRM CC[C@H](C)OC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000049707340 562670834 /nfs/dbraw/zinc/67/08/34/562670834.db2.gz MAFDAFDILUWTJS-DZFGPLHGSA-N -1 0 663.662 2.698 1 0 KFAFRM CC[C@H](C)OC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000049707342 562670837 /nfs/dbraw/zinc/67/08/37/562670837.db2.gz MAFDAFDILUWTJS-YYWHXJBOSA-N -1 0 663.662 2.698 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccccc4I)CC3)nc21 ZINC000049708358 562670856 /nfs/dbraw/zinc/67/08/56/562670856.db2.gz XATBSCTWFXRKGQ-UHFFFAOYSA-N -1 0 564.409 2.633 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049711218 562672016 /nfs/dbraw/zinc/67/20/16/562672016.db2.gz KIFSYWSFYZAHDN-MHZLTWQESA-N -1 0 687.816 2.986 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(I)c4)CC3)nc21 ZINC000049723206 562673063 /nfs/dbraw/zinc/67/30/63/562673063.db2.gz IAXDKFWKYZLGKQ-UHFFFAOYSA-N -1 0 564.409 2.633 1 0 KFAFRM CC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCC(=O)[O-])[C@@H](CCC(=O)OCc1ccccc1)C(=O)N2 ZINC000049723377 562673335 /nfs/dbraw/zinc/67/33/35/562673335.db2.gz XJBRWXPVZLHKDG-ZEQRLZLVSA-N -1 0 566.611 2.547 1 0 KFAFRM CC(=O)Nc1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCC(=O)[O-])[C@@H](CCC(=O)OCc1ccccc1)C(=O)N2 ZINC000049723378 562673342 /nfs/dbraw/zinc/67/33/42/562673342.db2.gz XJBRWXPVZLHKDG-BJKOFHAPSA-N -1 0 566.611 2.547 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC[C@H](C(N)=O)C3)cc(-c3ccccc3)n2)CC1 ZINC000049745593 562673985 /nfs/dbraw/zinc/67/39/85/562673985.db2.gz GHXNUPGTACUZGO-AHWVRZQESA-N -1 0 636.750 2.885 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC[C@@H](C(N)=O)C3)cc(-c3ccccc3)n2)CC1 ZINC000049745595 562673970 /nfs/dbraw/zinc/67/39/70/562673970.db2.gz GHXNUPGTACUZGO-RSXGOPAZSA-N -1 0 636.750 2.885 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000049745605 562673969 /nfs/dbraw/zinc/67/39/69/562673969.db2.gz BTPWGIJDXVOFJA-DEOSSOPVSA-N -1 0 581.670 2.629 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C(N)=O)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049745854 562674110 /nfs/dbraw/zinc/67/41/10/562674110.db2.gz COZGGNIQUZFSOQ-SANMLTNESA-N -1 0 636.750 2.885 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC(C(=O)NCC)C3)cc(-c3ccccc3)n2)CC1 ZINC000049745970 562674141 /nfs/dbraw/zinc/67/41/41/562674141.db2.gz NYTPZYAGXPXEFR-SANMLTNESA-N -1 0 636.750 2.755 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@H](OCC(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1 ZINC000049745973 562674160 /nfs/dbraw/zinc/67/41/60/562674160.db2.gz JSFHMZINYVWWHB-NSOVKSMOSA-N -1 0 680.803 2.866 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@H](O)C3)cc(-c3ccccc3)n2)CC1 ZINC000049746185 562674283 /nfs/dbraw/zinc/67/42/83/562674283.db2.gz YBRICPHMUGKTCX-LOSJGSFVSA-N -1 0 595.697 2.754 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@H](O)C3)cc(-c3ccccc3)n2)CC1 ZINC000049746187 562674301 /nfs/dbraw/zinc/67/43/01/562674301.db2.gz YBRICPHMUGKTCX-DQEYMECFSA-N -1 0 595.697 2.754 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049746566 562674512 /nfs/dbraw/zinc/67/45/12/562674512.db2.gz WSUVVCWTIUBKMS-MHZLTWQESA-N -1 0 636.750 2.851 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(CCC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000049746877 562674647 /nfs/dbraw/zinc/67/46/47/562674647.db2.gz KLMWLTBMVOSCAC-MHZLTWQESA-N -1 0 651.761 2.974 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000049746936 562674675 /nfs/dbraw/zinc/67/46/75/562674675.db2.gz NAIRXYAKXNXUBM-VWLOTQADSA-N -1 0 623.707 2.655 1 0 KFAFRM C[C@H](O)C1(C[N-]S(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1 ZINC000049756324 562674944 /nfs/dbraw/zinc/67/49/44/562674944.db2.gz IFMQEBQRWGTZFZ-AWEZNQCLSA-N -1 0 623.068 2.903 1 0 KFAFRM C[C@@H](O)C1(C[N-]S(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1 ZINC000049756326 562674963 /nfs/dbraw/zinc/67/49/63/562674963.db2.gz IFMQEBQRWGTZFZ-CQSZACIVSA-N -1 0 623.068 2.903 1 0 KFAFRM O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CO)(C[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000049756347 562674972 /nfs/dbraw/zinc/67/49/72/562674972.db2.gz AQHYVBHJINDJIW-UHFFFAOYSA-N -1 0 609.041 2.514 1 0 KFAFRM O=S(=O)([N-][C@H]1CC12CCN(S(=O)(=O)c1cc(OC(F)(F)F)ccc1S(=O)(=O)c1ccccn1)CC2)C(F)(F)F ZINC000049756473 562675085 /nfs/dbraw/zinc/67/50/85/562675085.db2.gz GUETVUDZJQRDME-INIZCTEOSA-N -1 0 623.575 2.795 1 0 KFAFRM O=S(=O)([N-][C@@H]1CC12CCN(S(=O)(=O)c1cc(OC(F)(F)F)ccc1S(=O)(=O)c1ccccn1)CC2)C(F)(F)F ZINC000049756475 562675022 /nfs/dbraw/zinc/67/50/22/562675022.db2.gz GUETVUDZJQRDME-MRXNPFEDSA-N -1 0 623.575 2.795 1 0 KFAFRM CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 ZINC000049756604 562675118 /nfs/dbraw/zinc/67/51/18/562675118.db2.gz GEWQZAWAIHXDMQ-DEOSSOPVSA-N -1 0 584.670 2.944 1 0 KFAFRM O=S(=O)(c1ccccn1)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(C[C@@H]2[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000049756794 562675270 /nfs/dbraw/zinc/67/52/70/562675270.db2.gz JUQOWIVYUJPGSV-INIZCTEOSA-N -1 0 574.024 2.550 1 0 KFAFRM O=S(=O)(c1ccccn1)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(C[C@H]2[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000049756796 562675268 /nfs/dbraw/zinc/67/52/68/562675268.db2.gz JUQOWIVYUJPGSV-MRXNPFEDSA-N -1 0 574.024 2.550 1 0 KFAFRM Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@H]2C[C@H](CNc3ccccn3)N(C(=O)CC(C)(C)C)C2)C(=O)[O-])c(C)c1 ZINC000049756926 562675320 /nfs/dbraw/zinc/67/53/20/562675320.db2.gz AZJYXUVHLYXCJY-SGNDLWITSA-N -1 0 581.714 2.840 1 0 KFAFRM O=S(=O)([N-]CCCCNS(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F)C(F)(F)F ZINC000049757070 562675511 /nfs/dbraw/zinc/67/55/11/562675511.db2.gz OOVUQROFIYVYHF-UHFFFAOYSA-N -1 0 552.977 2.810 1 0 KFAFRM O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CC(CC[N-]S(=O)(=O)C(F)(F)F)C1 ZINC000049757071 562675525 /nfs/dbraw/zinc/67/55/25/562675525.db2.gz YGILMJYQKXFDDM-UHFFFAOYSA-N -1 0 564.988 2.762 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000049757085 562675530 /nfs/dbraw/zinc/67/55/30/562675530.db2.gz YURHLZOCSFKDPN-DEOSSOPVSA-N -1 0 625.679 2.624 1 0 KFAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)COc1ccc(OCC(=O)[O-])cc1)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000049757278 562675859 /nfs/dbraw/zinc/67/58/59/562675859.db2.gz AKNLWQANUWDRHX-RNCAPKPVSA-N -1 0 622.675 2.826 1 0 KFAFRM O=C([O-])CCC(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049757299 562675850 /nfs/dbraw/zinc/67/58/50/562675850.db2.gz MJRLIVFDLFBXET-UHFFFAOYSA-N -1 0 548.561 2.672 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCCCO)cc(-c3ccccc3)n2)CC1 ZINC000049757336 562675924 /nfs/dbraw/zinc/67/59/24/562675924.db2.gz VWKAYLURWJVHDL-DEOSSOPVSA-N -1 0 584.670 2.944 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 ZINC000049757342 562675898 /nfs/dbraw/zinc/67/58/98/562675898.db2.gz XXPAYSATRCQXOB-QFIPXVFZSA-N -1 0 583.642 2.853 1 0 KFAFRM O=S(=O)(c1ccccn1)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(C[C@@H]2[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000049757484 562676090 /nfs/dbraw/zinc/67/60/90/562676090.db2.gz IEEFYXFSZIMIJN-INIZCTEOSA-N -1 0 607.576 2.916 1 0 KFAFRM O=S(=O)(c1ccccn1)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(C[C@H]2[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000049757485 562676093 /nfs/dbraw/zinc/67/60/93/562676093.db2.gz IEEFYXFSZIMIJN-MRXNPFEDSA-N -1 0 607.576 2.916 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 ZINC000049761997 562676275 /nfs/dbraw/zinc/67/62/75/562676275.db2.gz HMINMYHUXLYERU-QHCPKHFHSA-N -1 0 569.659 2.587 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)NC)cc(-c3ccccc3)n2)CC1 ZINC000049762184 562676414 /nfs/dbraw/zinc/67/64/14/562676414.db2.gz JKBZXSVPVVRKMZ-QFIPXVFZSA-N -1 0 567.643 2.542 1 0 KFAFRM O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)C(F)(F)F)C1 ZINC000049762387 562676509 /nfs/dbraw/zinc/67/65/09/562676509.db2.gz SRIRFCAJHZJRPK-LBPRGKRZSA-N -1 0 550.961 2.514 1 0 KFAFRM O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)C(F)(F)F)C1 ZINC000049762389 562676534 /nfs/dbraw/zinc/67/65/34/562676534.db2.gz SRIRFCAJHZJRPK-GFCCVEGCSA-N -1 0 550.961 2.514 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 ZINC000049762502 562676560 /nfs/dbraw/zinc/67/65/60/562676560.db2.gz KNLKSDKIXOPILM-QHCPKHFHSA-N -1 0 570.643 2.554 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049762730 562676717 /nfs/dbraw/zinc/67/67/17/562676717.db2.gz JLFYFKSZKDBIRY-SANMLTNESA-N -1 0 636.750 2.570 1 0 KFAFRM CCC(=O)N[C@H]1C[C@@H](n2cnc3c2nc(NCCc2cn(CC(=O)[O-])cn2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000049762892 562676761 /nfs/dbraw/zinc/67/67/61/562676761.db2.gz SLUDEWSSMYOKIL-ZBKRMGPDSA-N -1 0 653.744 2.567 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC(N4CCOCC4)C3)cc(-c3ccccc3)n2)CC1 ZINC000049763131 562676845 /nfs/dbraw/zinc/67/68/45/562676845.db2.gz SAHWNZLCCJXNFR-NDEPHWFRSA-N -1 0 650.777 2.704 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N(C)CCOC)cc(-c3ccccc3)n2)CC1 ZINC000049763257 562676877 /nfs/dbraw/zinc/67/68/77/562676877.db2.gz JHLKESIAKMBCBI-DEOSSOPVSA-N -1 0 583.686 2.875 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)NCC)cc(-c3ccccc3)n2)CC1 ZINC000049766694 562677187 /nfs/dbraw/zinc/67/71/87/562677187.db2.gz WHWBYRFHPCDINM-QHCPKHFHSA-N -1 0 581.670 2.933 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)N(C)C)cc(-c3ccccc3)n2)CC1 ZINC000049766696 562677157 /nfs/dbraw/zinc/67/71/57/562677157.db2.gz GRHQOGNGMHSFLC-QHCPKHFHSA-N -1 0 581.670 2.885 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)NCCOC)cc(-c3ccccc3)n2)CC1 ZINC000049766697 562677174 /nfs/dbraw/zinc/67/71/74/562677174.db2.gz KLSXCWFPQDFOIO-DEOSSOPVSA-N -1 0 611.696 2.559 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)NCCCOC)cc(-c3ccccc3)n2)CC1 ZINC000049766698 562677184 /nfs/dbraw/zinc/67/71/84/562677184.db2.gz PXQFKAHDDLFGEH-VWLOTQADSA-N -1 0 625.723 2.949 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(CC(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049767365 562677548 /nfs/dbraw/zinc/67/75/48/562677548.db2.gz GYJIGVIZMDGPSV-PMERELPUSA-N -1 0 705.857 2.927 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(C(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049767371 562677531 /nfs/dbraw/zinc/67/75/31/562677531.db2.gz CBLIQENJRDLRAN-MHZLTWQESA-N -1 0 665.792 2.986 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1F ZINC000049777797 562680577 /nfs/dbraw/zinc/68/05/77/562680577.db2.gz DRHOFEUUQIADGB-DTXPUJKBSA-N -1 0 647.631 2.962 1 0 KFAFRM CC(C)(C)OC(=O)n1cnc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)c2coc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000049777870 562680606 /nfs/dbraw/zinc/68/06/06/562680606.db2.gz GFMNJNBHPXDZNG-ZEQRLZLVSA-N -1 0 630.658 2.591 1 0 KFAFRM NC(=O)C1(NC(=O)[C@H](CCCCNC(=O)c2cccc(OCC(=O)[O-])c2)NC(=O)c2ncccc2C(=O)c2ccccc2)CCCCC1 ZINC000049780077 562681301 /nfs/dbraw/zinc/68/13/01/562681301.db2.gz FLPVVCLDZHRWIW-MHZLTWQESA-N -1 0 657.724 2.779 1 0 KFAFRM CN(C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000049780495 562681842 /nfs/dbraw/zinc/68/18/42/562681842.db2.gz CPZRYRVSOCXUSE-ULNSLHSMSA-N -1 0 613.671 2.835 1 0 KFAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(CO)CO)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049780743 562682205 /nfs/dbraw/zinc/68/22/05/562682205.db2.gz ZYQOSGKGHXBWHH-WEVVVXLNSA-N -1 0 564.513 2.531 1 0 KFAFRM CN(C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049780995 562682528 /nfs/dbraw/zinc/68/25/28/562682528.db2.gz SESRACCSDGDUPO-ULNSLHSMSA-N -1 0 613.671 2.835 1 0 KFAFRM O=C([O-])CC/C=C\C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049784799 562683755 /nfs/dbraw/zinc/68/37/55/562683755.db2.gz RNJPAJVFGYAXBL-GNKJFYKQSA-N -1 0 638.725 2.705 1 0 KFAFRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc1cccc(Br)n1 ZINC000049799619 562685349 /nfs/dbraw/zinc/68/53/49/562685349.db2.gz ZJSICYCWTAVUMT-QDSKXPNFSA-N -1 0 652.546 2.997 1 0 KFAFRM C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CCC(=O)[O-])CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O ZINC000049802964 562685982 /nfs/dbraw/zinc/68/59/82/562685982.db2.gz ZSFVGXAKMZRLKO-OTMMWRGTSA-N -1 0 510.668 2.838 1 0 KFAFRM C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](/C=C/C(=O)[O-])CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O ZINC000049803058 562686018 /nfs/dbraw/zinc/68/60/18/562686018.db2.gz MZDBIEDZOXKPKW-XNBGPIFASA-N -1 0 508.652 2.614 1 0 KFAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1coc(-c2ccccc2)n1 ZINC000049803948 562686279 /nfs/dbraw/zinc/68/62/79/562686279.db2.gz VVWWMIYMKAEFAP-UIOOFZCWSA-N -1 0 595.612 2.798 1 0 KFAFRM CC(C)[C@H](CC[C@@H](C)[C@H]1C[C@H](OS(=O)(=O)[O-])[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000049841062 562687970 /nfs/dbraw/zinc/68/79/70/562687970.db2.gz OKAHKEMGGOSBJG-KWARNCMSSA-N -1 0 648.856 2.671 1 0 KFAFRM CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC000049867334 562689450 /nfs/dbraw/zinc/68/94/50/562689450.db2.gz BSYYAVSXHHIAFT-OEMFJLHTSA-N -1 0 542.658 2.814 1 0 KFAFRM CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC000049867563 562689553 /nfs/dbraw/zinc/68/95/53/562689553.db2.gz AVAXSGXOQJUXHZ-OEMFJLHTSA-N -1 0 542.658 2.814 1 0 KFAFRM CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccn2)cc1 ZINC000049867658 562689627 /nfs/dbraw/zinc/68/96/27/562689627.db2.gz UNCVRLMOEPDIDB-ODGPQVTHSA-N -1 0 542.658 2.814 1 0 KFAFRM CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000058533227 562698624 /nfs/dbraw/zinc/69/86/24/562698624.db2.gz YTZTWGOTWKLHCE-BHDDXSALSA-N -1 0 507.524 2.664 1 0 KFAFRM CN(C)C(=O)[C@@H]1OCO[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000058575640 562699632 /nfs/dbraw/zinc/69/96/32/562699632.db2.gz DWYGOWJEVXYBMF-XUVXKRRUSA-N -1 0 511.358 2.514 1 0 KFAFRM O=c1c([O-])c(-c2ncc(Cc3ccc(F)cc3)s2)nc2c(N3CCCS3(=O)=O)cc(N3CCOCC3)cn12 ZINC000058581071 562699792 /nfs/dbraw/zinc/69/97/92/562699792.db2.gz JOMOIXVBAURLGQ-UHFFFAOYSA-N -1 0 557.629 2.630 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NC1CC1 ZINC000058581118 562699761 /nfs/dbraw/zinc/69/97/61/562699761.db2.gz WFRWRDPACMNSEM-PWRODBHTSA-N -1 0 523.369 2.704 1 0 KFAFRM CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c([O-])c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)C1=O ZINC000058581900 562699873 /nfs/dbraw/zinc/69/98/73/562699873.db2.gz ZUDAEFJXXIGRHK-UHFFFAOYSA-N -1 0 536.589 2.962 1 0 KFAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCC[C@H](N(C)S(C)(=O)=O)C3)cc2)cc1 ZINC000058583907 562700210 /nfs/dbraw/zinc/70/02/10/562700210.db2.gz CPDXTLZUFAYJLD-DXIQSLLYSA-N -1 0 510.634 2.544 1 0 KFAFRM CC(C)NC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000058590524 562700283 /nfs/dbraw/zinc/70/02/83/562700283.db2.gz FELVRPFPVAZAFZ-PWRODBHTSA-N -1 0 525.385 2.950 1 0 KFAFRM CCNC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000058590969 562700392 /nfs/dbraw/zinc/70/03/92/562700392.db2.gz ZPHKDDILSBIJSX-XUVXKRRUSA-N -1 0 511.358 2.562 1 0 KFAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)Cc1cccc2ccccc21 ZINC000058591048 562700424 /nfs/dbraw/zinc/70/04/24/562700424.db2.gz JGHWUUDYURZMLH-GLSOUHKVSA-N -1 0 619.671 2.910 1 0 KFAFRM CN1CCN(c2cc(CN3CCOCC3)cn3c(=O)c([O-])c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)C1=O ZINC000058592886 562700691 /nfs/dbraw/zinc/70/06/91/562700691.db2.gz YOFRHQKQOOVMIF-UHFFFAOYSA-N -1 0 550.616 2.958 1 0 KFAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000058668249 562701523 /nfs/dbraw/zinc/70/15/23/562701523.db2.gz VWSBHFWKGOESTL-GIDFYXQGSA-N -1 0 578.751 2.530 1 0 KFAFRM CO[C@H]1CN(c2nc(-c3ncnn3C)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000059129812 562701748 /nfs/dbraw/zinc/70/17/48/562701748.db2.gz BMQFAHOPSKEIHS-ZJUUUORDSA-N -1 0 514.395 2.604 1 0 KFAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000059939793 562702474 /nfs/dbraw/zinc/70/24/74/562702474.db2.gz KLUHRRFQZHUKHC-VAFBSOEGSA-N -1 0 578.751 2.530 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)C(F)(F)F ZINC000059970754 562702497 /nfs/dbraw/zinc/70/24/97/562702497.db2.gz YLUXVNBHWOCFLK-BJLQDIEVSA-N -1 0 545.555 2.949 1 0 KFAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(C=CC(N)=O)ccc3N2)c1[O-] ZINC000062233614 562704390 /nfs/dbraw/zinc/70/43/90/562704390.db2.gz RGCHCVGSLKVFLI-SOFGYWHQSA-N -1 0 513.601 2.783 1 0 KFAFRM CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2C)OC1(C)C ZINC000064436689 562705234 /nfs/dbraw/zinc/70/52/34/562705234.db2.gz WBAURESZKLTLSD-DCDYHQBJSA-N -1 0 529.542 2.632 1 0 KFAFRM CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)/C=C/c4ccccc4)c(=O)oc3c2C)OC1(C)C ZINC000064447983 562705473 /nfs/dbraw/zinc/70/54/73/562705473.db2.gz XIBZWQXVYROCKO-DQPYZKGWSA-N -1 0 511.527 2.709 1 0 KFAFRM CCCc1cc(C(=O)Nc2c([O-])c3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](O)[C@H]4O)c(C)c3oc2=O)ccc1O ZINC000064448936 562705591 /nfs/dbraw/zinc/70/55/91/562705591.db2.gz RSLKARIZRNNERP-CXTNQITHSA-N -1 0 543.569 2.968 1 0 KFAFRM Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(Cc3n[n-]c(=S)o3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064454151 562705677 /nfs/dbraw/zinc/70/56/77/562705677.db2.gz ZUILLFNAJYJVFU-UHFFFAOYSA-N -1 0 509.979 2.796 1 0 KFAFRM O=S(=O)([N-]CC1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1)C(F)(F)F ZINC000064513893 562706483 /nfs/dbraw/zinc/70/64/83/562706483.db2.gz LBFUAIJBJBAUPA-UHFFFAOYSA-N -1 0 583.607 2.857 1 0 KFAFRM O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC2(CC([N-]S(=O)(=O)C(F)(F)F)C2)C1 ZINC000064526344 562706633 /nfs/dbraw/zinc/70/66/33/562706633.db2.gz OSJLIPOHUSWCQJ-UHFFFAOYSA-N -1 0 595.618 3.000 1 0 KFAFRM Cn1c2ccccc2c(S(=O)(=O)N2CCC(C[N-]S(=O)(=O)C(F)(F)F)CC2)c1S(=O)(=O)c1ccccc1F ZINC000064526346 562706655 /nfs/dbraw/zinc/70/66/55/562706655.db2.gz LVWRYJJNZXHGFG-UHFFFAOYSA-N -1 0 597.634 2.990 1 0 KFAFRM COc1ccc2c(cc(S(=O)(=O)N3CCC(C[N-]S(=O)(=O)C(F)(F)F)CC3)n2S(=O)(=O)c2ccccc2F)c1 ZINC000064528042 562707209 /nfs/dbraw/zinc/70/72/09/562707209.db2.gz PACLTQUNLBYGBX-UHFFFAOYSA-N -1 0 613.633 2.866 1 0 KFAFRM Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C(=O)[O-])cc2)Cc2ccccc2)c1 ZINC000064539566 562707569 /nfs/dbraw/zinc/70/75/69/562707569.db2.gz HWCJBTBFGJPZTR-UHFFFAOYSA-N -1 0 508.604 2.750 1 0 KFAFRM COc1cc(CC(=O)NCC(=O)N(CCC(=O)[O-])Cc2ccc(CO)c(CO)c2)ccc1NC(=O)Nc1ccccc1C ZINC000064755024 562709148 /nfs/dbraw/zinc/70/91/48/562709148.db2.gz AKSICDDPRTUYOD-UHFFFAOYSA-N -1 0 592.649 2.794 1 0 KFAFRM COc1c(N2CCN(CN3C(=O)C(=O)c4cc(F)ccc43)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000066104847 562711776 /nfs/dbraw/zinc/71/17/76/562711776.db2.gz FQSZYYDCPNVHNE-UHFFFAOYSA-N -1 0 538.507 2.630 1 0 KFAFRM COc1c(N2CCN(CCN3C(=O)C(=O)c4ccccc43)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000066112258 562712008 /nfs/dbraw/zinc/71/20/08/562712008.db2.gz NRZZVTWCSHUGMR-UHFFFAOYSA-N -1 0 534.544 2.534 1 0 KFAFRM COc1c(N2CCN(CCN3C(=O)C(=O)c4cc(F)ccc43)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000066113069 562712163 /nfs/dbraw/zinc/71/21/63/562712163.db2.gz IHFDEUMRECWRBL-UHFFFAOYSA-N -1 0 552.534 2.673 1 0 KFAFRM CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCC(=O)[O-])CN3c2ccccc2)cc1 ZINC000066252228 562714679 /nfs/dbraw/zinc/71/46/79/562714679.db2.gz OYJRDZNUIOZDQL-UHFFFAOYSA-N -1 0 520.630 2.856 1 0 KFAFRM COc1ccc(NC(=O)NCCCC[C@H](NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)C(=O)[O-])cc1 ZINC000069061796 562716335 /nfs/dbraw/zinc/71/63/35/562716335.db2.gz KEJRRAVSOKIPFB-NRFANRHFSA-N -1 0 509.563 2.816 1 0 KFAFRM COc1ccccc1C(=O)O[C@H]1[C@@H](O)[C@H](Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)cc4)oc-3c2)O[C@@H](C)[C@@H]1O ZINC000070450995 560048931 /nfs/dbraw/zinc/04/89/31/560048931.db2.gz NEPVCTKYHYAHAZ-CLDZSJCVSA-N -1 0 566.515 2.656 1 0 biogenic,in-vitro KFAFRM COc1ccccc1C(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1Oc1cc(=O)c2c([O-])c(O)c(-c3ccc(O)cc3)oc-2c1 ZINC000070454088 560048774 /nfs/dbraw/zinc/04/87/74/560048774.db2.gz LEIRBJWWXASKQN-SBCOBMDLSA-N -1 0 566.515 2.656 1 0 biogenic,in-vitro KFAFRM C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000071280833 562716622 /nfs/dbraw/zinc/71/66/22/562716622.db2.gz GJIXWWQYEGUWAF-FIPUOLMPSA-N -1 0 620.710 2.708 1 0 KFAFRM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C2CC2)cc1 ZINC000071295006 562717096 /nfs/dbraw/zinc/71/70/96/562717096.db2.gz BBKCAKPNCLOJQV-DHIUTWEWSA-N -1 0 602.685 2.724 1 0 KFAFRM NC(=O)c1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C2CC2)cc1 ZINC000071295204 562717157 /nfs/dbraw/zinc/71/71/57/562717157.db2.gz CGPOMNYIDPSXAA-FGZHOGPDSA-N -1 0 538.576 2.572 1 0 KFAFRM O=C([O-])CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2cc(Br)cnc21 ZINC000071316489 562717962 /nfs/dbraw/zinc/71/79/62/562717962.db2.gz YNKPVIBGSVEFJK-UHFFFAOYSA-N -1 0 509.151 2.799 1 0 KFAFRM O=C(c1ccc(Cl)nc1)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000072107126 562721181 /nfs/dbraw/zinc/72/11/81/562721181.db2.gz LPZDWWQSUZYCFI-UHFFFAOYSA-N -1 0 533.972 2.937 1 0 KFAFRM O=C(c1ccc(Cl)nc1)N1CCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000072107420 562721291 /nfs/dbraw/zinc/72/12/91/562721291.db2.gz YAPNDZAGUYDTAT-UHFFFAOYSA-N -1 0 519.945 2.547 1 0 KFAFRM Cn1nc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)[N-]C(=O)NC3=O)CC2)c2ccccc21 ZINC000072107687 562721331 /nfs/dbraw/zinc/72/13/31/562721331.db2.gz DIHUJPNEHNNZDZ-UHFFFAOYSA-N -1 0 552.591 2.775 1 0 KFAFRM O=C(c1cnc2ccccc2n1)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000072107689 562721353 /nfs/dbraw/zinc/72/13/53/562721353.db2.gz UYQVBRVYZIDHBO-UHFFFAOYSA-N -1 0 550.575 2.832 1 0 KFAFRM O=C(Cc1cccs1)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000072107690 562721349 /nfs/dbraw/zinc/72/13/49/562721349.db2.gz ARFMWLMOXLXDGE-UHFFFAOYSA-N -1 0 518.595 2.879 1 0 KFAFRM O=C(c1cccs1)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000072107991 562721405 /nfs/dbraw/zinc/72/14/05/562721405.db2.gz QBHSAKPHKDFXFL-UHFFFAOYSA-N -1 0 504.568 2.950 1 0 KFAFRM NC(=O)C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118323 562723479 /nfs/dbraw/zinc/72/34/79/562723479.db2.gz CIYUOAFXEVESEA-GMAHTHKFSA-N -1 0 553.015 2.876 1 0 KFAFRM [NH3+][C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072118701 562723658 /nfs/dbraw/zinc/72/36/58/562723658.db2.gz UWOQGVCOBIWEJL-GMAHTHKFSA-N -1 0 519.554 2.822 1 0 KFAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1 ZINC000072128653 562726225 /nfs/dbraw/zinc/72/62/25/562726225.db2.gz OFGYOKYBMNRXMX-YRCZKMHPSA-N -1 0 686.773 2.654 1 0 KFAFRM CN1CCN(c2nc(N3CCN(C)CC3)nc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5Cc4ccc(C(F)(F)F)cc4)CC3)n2)CC1 ZINC000072131667 562726747 /nfs/dbraw/zinc/72/67/47/562726747.db2.gz BZHCIKWBDLGJCM-UHFFFAOYSA-N -1 0 724.764 2.921 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](C(=O)COc1ccccc1)[C@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1 ZINC000072133438 562726997 /nfs/dbraw/zinc/72/69/97/562726997.db2.gz MRCDCBFNFBQWQV-ZFIQZZOESA-N -1 0 684.831 2.839 1 0 KFAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CCC(=O)[O-])nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000072141481 562729370 /nfs/dbraw/zinc/72/93/70/562729370.db2.gz AGDJWTBHYWBCNX-AKEHSPCASA-N -1 0 537.525 2.574 1 0 KFAFRM NN1C(=S)N=NC1CSc1nnc(Cc2c3c(sc2NCCC(=O)[O-])CCCC3)n1NC(=O)c1ccccc1 ZINC000072173148 562730814 /nfs/dbraw/zinc/73/08/14/562730814.db2.gz DUETXKNXFRANMW-UHFFFAOYSA-N -1 0 585.741 2.966 1 0 KFAFRM COc1ccc(-n2c(-c3cncc([N-]S(=O)(=O)c4ccc(C)cc4)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000072173202 562730866 /nfs/dbraw/zinc/73/08/66/562730866.db2.gz QAVOTRFQSYTQPQ-UHFFFAOYSA-N -1 0 532.582 2.603 1 0 KFAFRM COc1ccc(S(=O)(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)cc1OC ZINC000073129752 562733379 /nfs/dbraw/zinc/73/33/79/562733379.db2.gz LFSPOSHDHWYRRR-UHFFFAOYSA-N -1 0 531.562 2.702 1 0 KFAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c(F)cc2c1=O ZINC000073129760 562733337 /nfs/dbraw/zinc/73/33/37/562733337.db2.gz VPHFEBHYXHHJGH-UHFFFAOYSA-N -1 0 507.490 2.963 1 0 KFAFRM COc1ccc(S(=O)(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c(OC)c1 ZINC000073138208 562733348 /nfs/dbraw/zinc/73/33/48/562733348.db2.gz HRRKDYBZTCCUSL-UHFFFAOYSA-N -1 0 531.562 2.702 1 0 KFAFRM O=C([O-])Cn1nnc(-c2cnc(-c3cn(Cc4cc(Br)c(Br)c(Br)c4)nn3)cn2)n1 ZINC000073163811 562734289 /nfs/dbraw/zinc/73/42/89/562734289.db2.gz QOYPHKCQCFZZPS-UHFFFAOYSA-N -1 0 600.029 2.809 1 0 KFAFRM CCOC(=O)N1CCN(CCCCN2C(=O)N(CC(=O)[O-])C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000073167117 562734528 /nfs/dbraw/zinc/73/45/28/562734528.db2.gz MVAAGEKJOPFEEG-UHFFFAOYSA-N -1 0 522.602 2.833 1 0 KFAFRM O=C([O-])Cn1nnc(-c2cn(CCc3cc(Br)c(Br)c(Br)c3)nn2)n1 ZINC000073195850 562734990 /nfs/dbraw/zinc/73/49/90/562734990.db2.gz BSPAMFCMXHBGMQ-UHFFFAOYSA-N -1 0 535.982 2.546 1 0 KFAFRM O=C([O-])Cn1nnc(-c2cn(CCCc3cc(Br)c(Br)c(Br)c3)nn2)n1 ZINC000073195851 562734976 /nfs/dbraw/zinc/73/49/76/562734976.db2.gz ACTQREAHOJEUIV-UHFFFAOYSA-N -1 0 550.009 2.937 1 0 KFAFRM CCOC(=O)N[C@@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1)C(F)(F)F ZINC000073277591 562737383 /nfs/dbraw/zinc/73/73/83/562737383.db2.gz WXDALWZZLSGIPW-QHCPKHFHSA-N -1 0 560.501 2.549 1 0 KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccccc1)O2 ZINC000073294184 562737579 /nfs/dbraw/zinc/73/75/79/562737579.db2.gz JGCITIHRFPNCEH-ANSQWYIGSA-N -1 0 620.750 2.562 1 0 KFAFRM CCOC(=O)[C@@](NC(=O)CC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(F)(F)F ZINC000073370268 562738359 /nfs/dbraw/zinc/73/83/59/562738359.db2.gz LPMATLYZOMJOIQ-XMMPIXPASA-N -1 0 556.513 2.644 1 0 KFAFRM COc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCCCC2)cc1NC(=O)CCC(=O)[O-] ZINC000073386198 562738520 /nfs/dbraw/zinc/73/85/20/562738520.db2.gz PXTMNXYTOSYHIH-UHFFFAOYSA-N -1 0 505.593 2.976 1 0 KFAFRM CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)C(F)(F)F ZINC000073417897 562738785 /nfs/dbraw/zinc/73/87/85/562738785.db2.gz JOUSFQISCOTOSZ-QFIPXVFZSA-N -1 0 553.519 2.950 1 0 KFAFRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CCC[C@@H]2CC[C@H](NC(=O)Cc3ccccc3)C(=O)N21 ZINC000082136651 562738987 /nfs/dbraw/zinc/73/89/87/562738987.db2.gz IBJCWHYQQHNUJX-JZVHMONDSA-N -1 0 639.753 2.582 1 0 KFAFRM O=c1c2[n-][nH]n(Cc3nc(-c4ccc(I)cc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000082157885 562740998 /nfs/dbraw/zinc/74/09/98/562740998.db2.gz OVKWYIHQMKFBGA-JKSUJKDBSA-N -1 0 500.256 2.835 1 0 KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2 ZINC000082170519 562741464 /nfs/dbraw/zinc/74/14/64/562741464.db2.gz CVNXCGJIBSEPDP-XWXLMPLOSA-N -1 0 638.740 2.701 1 0 KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2 ZINC000082181580 562741869 /nfs/dbraw/zinc/74/18/69/562741869.db2.gz CVNXCGJIBSEPDP-CUAXAMRHSA-N -1 0 638.740 2.701 1 0 KFAFRM CCCCC/C=C\C/C(=C\CCCCCCCC(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)[N+](=O)[O-] ZINC000084403315 562742961 /nfs/dbraw/zinc/74/29/61/562742961.db2.gz JQGQUYTVPIHUFE-ZIXBUDCKSA-N -1 0 501.573 2.840 1 0 KFAFRM CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)COCC(=O)[O-])CC3=CC[C@]12O ZINC000084588017 562743598 /nfs/dbraw/zinc/74/35/98/562743598.db2.gz UDYPUWGXFSQRTQ-AUWNOXGESA-N -1 0 606.709 2.636 1 0 KFAFRM CC(C)C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC(=O)[O-])c(OCCc2c[nH]c3ccccc23)c1)C(=O)[O-] ZINC000084652494 562746579 /nfs/dbraw/zinc/74/65/79/562746579.db2.gz WJMSVTWAFHXZSY-UGKGYDQZSA-N -1 0 524.574 2.759 1 0 KFAFRM NC(=O)C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084653432 562746881 /nfs/dbraw/zinc/74/68/81/562746881.db2.gz JOWATCWBXUSYFN-HOFKKMOUSA-N -1 0 596.644 2.838 1 0 KFAFRM O=S(=O)(Cc1nnc(CS(=O)(=O)c2c[n-]cc2S(=O)(=O)c2ccccc2)s1)Nc1ccccc1 ZINC000084653985 562747088 /nfs/dbraw/zinc/74/70/88/562747088.db2.gz NIWBDGBSSIQAOI-UHFFFAOYSA-N -1 0 538.654 2.615 1 0 KFAFRM Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3cn[n-]c3S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000084655440 562747551 /nfs/dbraw/zinc/74/75/51/562747551.db2.gz WOQQPTZKECWWOI-UHFFFAOYSA-N -1 0 567.696 2.627 1 0 KFAFRM COc1ncnc([N-]S(=O)(=O)c2ccc(N3C(=O)c4c(c(F)c(F)c(F)c4F)C3=O)cc2)c1OC ZINC000084669008 562747806 /nfs/dbraw/zinc/74/78/06/562747806.db2.gz REQJXAOGRVFVOY-UHFFFAOYSA-N -1 0 512.397 2.652 1 0 KFAFRM CO[N-]C(=O)[C@H]1[C@H](c2ccccc2)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]2(O)[C@H]1O ZINC000084671721 562748631 /nfs/dbraw/zinc/74/86/31/562748631.db2.gz KLSIFOJPWJBRFH-DFEWDZLZSA-N -1 0 507.539 2.640 1 0 KFAFRM CO[N-]C(=O)[C@@H]1[C@H](O)[C@]2(O)c3c(cc(OC)cc3OC)O[C@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000084671722 562748633 /nfs/dbraw/zinc/74/86/33/562748633.db2.gz KLSIFOJPWJBRFH-IRRJPASUSA-N -1 0 507.539 2.640 1 0 KFAFRM CO[N-]C(=O)[C@@H]1[C@H](O)[C@]2(O)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000084671723 562748642 /nfs/dbraw/zinc/74/86/42/562748642.db2.gz KLSIFOJPWJBRFH-FVWWXAAGSA-N -1 0 507.539 2.640 1 0 KFAFRM CO[N-]C(=O)[C@H]1[C@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]2(O)[C@H]1O ZINC000084671724 562748638 /nfs/dbraw/zinc/74/86/38/562748638.db2.gz KLSIFOJPWJBRFH-MHSKHUKVSA-N -1 0 507.539 2.640 1 0 KFAFRM CO[N-]C(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000084689886 562749410 /nfs/dbraw/zinc/74/94/10/562749410.db2.gz KLSIFOJPWJBRFH-GWNOIRNCSA-N -1 0 507.539 2.640 1 0 KFAFRM Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3c[n-]cc3S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000084710023 562750425 /nfs/dbraw/zinc/75/04/25/562750425.db2.gz ASCPAIPDRBERDD-UHFFFAOYSA-N -1 0 550.640 2.763 1 0 KFAFRM COc1ccc2c(c1OC)O[C@H]1c3c(-c4ccccc4)cc4c(c3OC[C@@H]21)C=C[C@@]1(O4)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000085488619 291766549 /nfs/dbraw/zinc/76/65/49/291766549.db2.gz PUNUXNPFIVITEF-SVWQJCQHSA-N -1 0 576.554 2.649 1 0 biogenic,in-vitro KFAFRM CCNc1cc(O[C@@H]2O[C@H](COC(=O)c3cc(OC)c(O)c(OCCc4cccc(CC)c4)c3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1C(=O)[O-])CCCO2 ZINC000085489653 291758986 /nfs/dbraw/zinc/75/89/86/291758986.db2.gz CNYTXQLWUKHIII-UOYTUHCWSA-N -1 0 713.733 2.789 1 0 biogenic,in-vitro KFAFRM C[C@@H](C/C=C/c1ccccc1)CC[NH2+][C@H](O)[C@@]1(O)[C@@H](O)[C@H](O)[C@@H](C(=O)[O-])O[C@H]1Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000085491318 565126977 /nfs/dbraw/zinc/12/69/77/565126977.db2.gz FNPLBJMLOYFSSR-NFIMVTBKSA-N -1 0 647.677 2.845 1 0 biogenic,in-vitro KFAFRM O=C([O-])CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@@H](OCCc2ccccc2)[C@H](O)[C@H]1O ZINC000085504431 565129434 /nfs/dbraw/zinc/12/94/34/565129434.db2.gz SNTHWOVLCQVQNV-VREMGYNISA-N -1 0 606.580 2.637 1 0 biogenic,in-vitro KFAFRM COc1ccc(-c2cc(=O)c3c(O)c(O[C@]4(O)CCC[C@H](Cc5ccccc5)C4)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1 ZINC000085506435 565130760 /nfs/dbraw/zinc/13/07/60/565130760.db2.gz KLGFECFODYMXTH-UVURAXFMSA-N -1 0 664.660 2.946 1 0 biogenic,in-vitro KFAFRM O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(OC5CCCC5)cc4)cc(=O)c3c(O)c2OC2(O)CCCCC2)[C@H](O)[C@H](O)[C@@H]1O ZINC000085506490 565130798 /nfs/dbraw/zinc/13/07/98/565130798.db2.gz CZIKQLUVCDTOKO-NOWDPZSZSA-N -1 0 628.627 2.790 1 0 biogenic,in-vitro KFAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](C=C(Cc4ccncc4)C[C@@H]3CCCCCC13CCCC3)C(=O)O2)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-] ZINC000085507530 565131110 /nfs/dbraw/zinc/13/11/10/565131110.db2.gz RUKBQBZJTQUNLC-XNRRSBDESA-N -1 0 698.839 2.820 1 0 biogenic,in-vitro KFAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@]12C=C[C@]3(CC(Cc4ccncc4)=C[C@H]4C(=O)OC1=C43)CCCCCC2)C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000085507637 565131785 /nfs/dbraw/zinc/13/17/85/565131785.db2.gz LOSAGJZJKLNDJD-WMXXVOCASA-N -1 0 652.770 2.641 1 0 biogenic,in-vitro KFAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@H]1CC2CCC(CC2)C[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32)C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000085507640 565131855 /nfs/dbraw/zinc/13/18/55/565131855.db2.gz YMLNSZMKAIWENH-GXPIEVHMSA-N -1 0 654.786 2.577 1 0 biogenic,in-vitro KFAFRM CCC1([C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C2=C3CCC(Cc4ccncc4)=C[C@H]3C(=O)O2)CCCC1 ZINC000085507654 565131899 /nfs/dbraw/zinc/13/18/99/565131899.db2.gz ZJWSINNEGQWSPS-DELVEFKNSA-N -1 0 642.775 2.721 1 0 biogenic,in-vitro KFAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@H]1CCCCCC[C@H]2CC(Cc3ccccc3)=C[C@H]3C(=O)OC1=C32)C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000085507680 565131879 /nfs/dbraw/zinc/13/18/79/565131879.db2.gz BBBUHKFTZXKJRT-VMAPGKTHSA-N -1 0 627.760 2.936 1 0 biogenic,in-vitro KFAFRM CCC[C@]1(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC[C@H]2CC(Cc3ccccc3)=C[C@H]3C(=O)OC1=C32 ZINC000085507727 291758576 /nfs/dbraw/zinc/75/85/76/291758576.db2.gz QRLNNIRHKTUKEW-PSOLBTNOSA-N -1 0 613.733 2.546 1 0 biogenic,in-vitro KFAFRM CC(=O)c1c(C)c(O)c2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COCC[C@H]6[C@@H]5C)CO4)[C@H](O)[C@H]3O)c2c1O ZINC000085511209 291755930 /nfs/dbraw/zinc/75/59/30/291755930.db2.gz AEXLVXDBCSCVGR-VDQXOMELSA-N -1 0 652.693 2.982 1 0 biogenic,in-vitro KFAFRM CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CC[C@@H]4CCC[C@@H]5COCC[C@H]45)[C@H](O)[C@H]3O)c2c1O ZINC000085511433 291756152 /nfs/dbraw/zinc/75/61/52/291756152.db2.gz VZMPHYFQGQMAOR-QLRVEFOKSA-N -1 0 588.650 2.537 1 0 biogenic,in-vitro KFAFRM CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@@]5(O)[C@H]6C=CO[C@@]4(CC[C@@H]5CCC6)[C@H](O)[C@H]3O)c2c1O ZINC000085511635 560073799 /nfs/dbraw/zinc/07/37/99/560073799.db2.gz ASYSBXUMARYLEB-FLEXURKGSA-N -1 0 540.565 2.804 1 0 biogenic,in-vitro KFAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@@H](O)CC[C@@H](C)[C@]4(O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511727 291769261 /nfs/dbraw/zinc/76/92/61/291769261.db2.gz BJXZKGOMUUZALV-YEYFMVNUSA-N -1 0 566.603 2.715 1 0 biogenic,in-vitro KFAFRM CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H]([C@]4(O)CCCC5(CCCC5)C4)[C@@H](O)[C@H](O)[C@H]3O)c2c1O ZINC000085511741 560073767 /nfs/dbraw/zinc/07/37/67/560073767.db2.gz VIPNHQIHWNTXKQ-WGNSLHQYSA-N -1 0 544.597 2.807 1 0 biogenic,in-vitro KFAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](C4(O)CCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511817 291769265 /nfs/dbraw/zinc/76/92/65/291769265.db2.gz BNFDKZPWWIFPOQ-NEOPOEGOSA-N -1 0 566.603 2.859 1 0 biogenic,in-vitro KFAFRM CC[C@@H](C(=O)C[C@@H](C)C1C(=O)C(=O)C2=C3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000095535841 562753850 /nfs/dbraw/zinc/75/38/50/562753850.db2.gz UUZNGYBZCIIUTK-IEWDKBCYSA-N -1 0 764.906 2.568 1 0 KFAFRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O ZINC000095537913 562754434 /nfs/dbraw/zinc/75/44/34/562754434.db2.gz FNRFRMQWGSYIMM-WZJLIZBTSA-N -1 0 803.317 2.826 1 0 KFAFRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O ZINC000095537914 562754436 /nfs/dbraw/zinc/75/44/36/562754436.db2.gz FNRFRMQWGSYIMM-HWFRFQLBSA-N -1 0 803.317 2.826 1 0 KFAFRM CC[C@@H](C(=O)C[C@@H](C)C1C(=O)C(=O)[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000095540285 562755609 /nfs/dbraw/zinc/75/56/09/562755609.db2.gz HKRRSAXEEWJIKZ-YGUAJHQJSA-N -1 0 766.922 2.648 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC1=O)C(=O)[O-] ZINC000095541536 562756173 /nfs/dbraw/zinc/75/61/73/562756173.db2.gz UHGIIADZWWCEKS-NDSQDYTJSA-N -1 0 791.991 2.677 1 0 KFAFRM CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)C(C)C ZINC000095541748 562756331 /nfs/dbraw/zinc/75/63/31/562756331.db2.gz RKFQNFXCYRYMML-IZMIHLHUSA-N -1 0 767.987 2.976 1 0 KFAFRM CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)C(C)C ZINC000095541749 562756324 /nfs/dbraw/zinc/75/63/24/562756324.db2.gz RKFQNFXCYRYMML-RYDNSKGNSA-N -1 0 767.987 2.976 1 0 KFAFRM CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)C(C)C ZINC000095548270 562759183 /nfs/dbraw/zinc/75/91/83/562759183.db2.gz WGTRMDKGODHROV-NBWROZBJSA-N -1 0 762.657 2.508 1 0 KFAFRM CCCCc1cn(CCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nn1 ZINC000095549133 562759758 /nfs/dbraw/zinc/75/97/58/562759758.db2.gz JCSWMCKHOKTFAH-BBACVFHCSA-N -1 0 818.014 2.800 1 0 KFAFRM CCC(CC)(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cn(-c2ccc(O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)c(C(F)F)c2)nn1 ZINC000095550468 562760222 /nfs/dbraw/zinc/76/02/22/562760222.db2.gz OLGWWQXYFVRJIT-LLTFEFKVSA-N -1 0 825.046 2.904 1 0 KFAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(-c4cccc(NC(=O)c5c(Cl)cccc5Cl)c4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000095550539 562760244 /nfs/dbraw/zinc/76/02/44/562760244.db2.gz JMPSBDYEEDZJFR-XJASLPHDSA-N -1 0 766.538 2.959 1 0 KFAFRM CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(-c4cccc(NS(=O)(=O)c5ccc(Cl)c(Cl)c5)c4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O ZINC000095550540 562760249 /nfs/dbraw/zinc/76/02/49/562760249.db2.gz SNEJAYOQEBGZJN-FHOLAVHPSA-N -1 0 802.593 2.508 1 0 KFAFRM CCCNS(=O)(=O)[N-]c1ncnc(OCCOc2ncc(Br)cn2)c1Oc1cccc(OC)c1 ZINC000095552472 562760632 /nfs/dbraw/zinc/76/06/32/562760632.db2.gz XYZWCNYWABHTRK-UHFFFAOYSA-N -1 0 555.411 2.944 1 0 KFAFRM O=C([O-])CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000095553875 562761096 /nfs/dbraw/zinc/76/10/96/562761096.db2.gz MMFKCRKIICEICG-SMCANUKXSA-N -1 0 712.804 2.996 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000095554195 562761162 /nfs/dbraw/zinc/76/11/62/562761162.db2.gz SJJFTMOQIHGUBG-XCZPVHLTSA-N -1 0 660.728 2.879 1 0 KFAFRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000095559835 562762922 /nfs/dbraw/zinc/76/29/22/562762922.db2.gz QXROXWFFCFLRBZ-ZEQRLZLVSA-N -1 0 589.667 2.629 1 0 in-vitro KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2 ZINC000095567415 562765814 /nfs/dbraw/zinc/76/58/14/562765814.db2.gz CVNXCGJIBSEPDP-FIAZIHOUSA-N -1 0 638.740 2.701 1 0 KFAFRM CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(C)C)c(I)c(=O)[n-]1 ZINC000095573450 562769679 /nfs/dbraw/zinc/76/96/79/562769679.db2.gz PZCNHDOGDRUQGL-UHFFFAOYSA-N -1 0 560.458 2.890 1 0 KFAFRM CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000095577913 562771117 /nfs/dbraw/zinc/77/11/17/562771117.db2.gz KWNPAPPOMUTAMQ-ZTTXAYQISA-N -1 0 757.951 2.505 1 0 KFAFRM CCC[C@@H]1O[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O ZINC000095580944 562772035 /nfs/dbraw/zinc/77/20/35/562772035.db2.gz KJNVQQRKZXSWGI-WGXSRGGHSA-N -1 0 544.509 2.705 1 0 KFAFRM COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095581130 562772102 /nfs/dbraw/zinc/77/21/02/562772102.db2.gz DGLGYAULJNAFMY-DQEYMECFSA-N -1 0 596.529 2.796 1 0 KFAFRM COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095581929 562772388 /nfs/dbraw/zinc/77/23/88/562772388.db2.gz ASGKESZFXKYWKT-DQEYMECFSA-N -1 0 623.555 2.679 1 0 KFAFRM COc1ccc(Cn2cnc3c4nc(=O)n(Cc5ccc(OC)cc5)c-4nc(CCC(=O)[O-])nc32)cc1 ZINC000095582126 562772446 /nfs/dbraw/zinc/77/24/46/562772446.db2.gz RCZYVGAPOUVFCE-UHFFFAOYSA-N -1 0 500.515 2.619 1 0 KFAFRM CCC[C@@H]1O[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000095582689 562772668 /nfs/dbraw/zinc/77/26/68/562772668.db2.gz PRMVLMCLSDUYOK-ODHHTFEASA-N -1 0 544.509 2.705 1 0 KFAFRM NC(=O)CNC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095583278 562772879 /nfs/dbraw/zinc/77/28/79/562772879.db2.gz OTPQZJWRZHTCSM-QHCPKHFHSA-N -1 0 551.492 2.747 1 0 KFAFRM Cc1cccc(Br)c1C(=O)N[C@@H](Cc1ccc(-c2cn(C)c(=O)n(C)c2=O)c(C)c1)C(=O)[O-] ZINC000095592215 562775858 /nfs/dbraw/zinc/77/58/58/562775858.db2.gz UKWYHTZGSXWVGK-IBGZPJMESA-N -1 0 514.376 2.556 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc(C(=O)[O-])cc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000095593904 562776346 /nfs/dbraw/zinc/77/63/46/562776346.db2.gz VAMBUZYTCVDLCS-WWZJJOFDSA-N -1 0 679.796 2.939 1 0 KFAFRM O=C([O-])CS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000095594359 562776463 /nfs/dbraw/zinc/77/64/63/562776463.db2.gz ZPMAVVZDYBVVFM-VPKVUBIPSA-N -1 0 550.985 2.974 1 0 KFAFRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21 ZINC000095596012 562776889 /nfs/dbraw/zinc/77/68/89/562776889.db2.gz VPKCXWASZODJMF-UHFFFAOYSA-N -1 0 562.579 2.593 1 0 KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)O2 ZINC000095599246 562777854 /nfs/dbraw/zinc/77/78/54/562777854.db2.gz DPDCQLOCKJIHKP-VKIDHGPPSA-N -1 0 634.777 2.870 1 0 KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1cccs1)O2 ZINC000095601345 562779563 /nfs/dbraw/zinc/77/95/63/562779563.db2.gz JECMABXLVLPZJA-MFEFFIJZSA-N -1 0 626.779 2.623 1 0 KFAFRM CS(=O)(=O)[N-]C(=O)c1c(-c2ccc[nH]c2=O)c2c(ccc3ccoc32)n1Cc1cc(C(N)=O)ccc1F ZINC000095604470 562781030 /nfs/dbraw/zinc/78/10/30/562781030.db2.gz RJQAGEOKNNJKEE-UHFFFAOYSA-N -1 0 522.514 2.719 1 0 KFAFRM COc1cc2cccc(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(NC(=O)[C@H](Cc4ccc(C[P@@](=O)([O-])O)cc4)NC(C)=O)CCCCC3)c2cc1OC ZINC000095606305 562782015 /nfs/dbraw/zinc/78/20/15/562782015.db2.gz SLXHIXKJEPUSKD-CONSDPRKSA-N -1 0 767.817 2.510 1 0 KFAFRM C[C@H](O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095606714 562782344 /nfs/dbraw/zinc/78/23/44/562782344.db2.gz LKNINRAARBJQFY-LRTXKPITSA-N -1 0 794.991 2.699 1 0 KFAFRM C[C@@H](O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095606715 562782306 /nfs/dbraw/zinc/78/23/06/562782306.db2.gz LKNINRAARBJQFY-JQPQFBORSA-N -1 0 794.991 2.699 1 0 KFAFRM CCC[C@H](NC(=O)[C@H](CC1SCCS1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000095606736 562782353 /nfs/dbraw/zinc/78/23/53/562782353.db2.gz WSNJYSNNBVYSQQ-NSIYGSDQSA-N -1 0 749.953 2.911 1 0 KFAFRM CCC[C@@H](NC(=O)[C@H](CC1SCCS1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000095606737 562782352 /nfs/dbraw/zinc/78/23/52/562782352.db2.gz WSNJYSNNBVYSQQ-AKPJXSIGSA-N -1 0 749.953 2.911 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](CC(C)C)C(=O)[O-])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000095607836 562783162 /nfs/dbraw/zinc/78/31/62/562783162.db2.gz RFUHKNDCMIJDQD-ZWHHYXARSA-N -1 0 817.985 2.815 1 0 KFAFRM Cc1nccn1Cc1ccc(C(=O)N[C@H]2CCC(=O)N3CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c4c(Cl)cccc4Cl)N3C2=O)cc1 ZINC000095609657 562783912 /nfs/dbraw/zinc/78/39/12/562783912.db2.gz FRVBTBWBAKHMHR-GSDHBNRESA-N -1 0 741.585 2.559 1 0 KFAFRM CC[C@@H](C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000095610246 562784284 /nfs/dbraw/zinc/78/42/84/562784284.db2.gz RGDFSZUFTCYIHO-NKLUUBGTSA-N -1 0 767.965 2.843 1 0 KFAFRM CC[C@H](C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000095610247 562784268 /nfs/dbraw/zinc/78/42/68/562784268.db2.gz RGDFSZUFTCYIHO-YNZPSPOMSA-N -1 0 767.965 2.843 1 0 KFAFRM COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095610529 562784470 /nfs/dbraw/zinc/78/44/70/562784470.db2.gz XYVMADLAVILVLD-CUPIEXAXSA-N -1 0 798.898 2.735 1 0 KFAFRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095610643 562784498 /nfs/dbraw/zinc/78/44/98/562784498.db2.gz XFWHGYUORWRMIN-BBACVFHCSA-N -1 0 782.899 2.515 1 0 KFAFRM CC[C@@H](C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000095611189 562784879 /nfs/dbraw/zinc/78/48/79/562784879.db2.gz SVCPLPDXRDYRPF-NKLUUBGTSA-N -1 0 767.965 2.843 1 0 KFAFRM CC[C@H](C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000095611190 562784867 /nfs/dbraw/zinc/78/48/67/562784867.db2.gz SVCPLPDXRDYRPF-YNZPSPOMSA-N -1 0 767.965 2.843 1 0 KFAFRM CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4ccccn4)nn3)C(=O)O[C@@]21C ZINC000095612406 562785469 /nfs/dbraw/zinc/78/54/69/562785469.db2.gz WUNBMLFBBONWJC-CZPWLJPFSA-N -1 0 801.935 2.726 1 0 KFAFRM COc1ccc(Cn2nnc(CC(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)N[C@@H](Cc3ccc(OCC(=O)[O-])cc3)C(=O)C[C@@H](CC(C)C)C(N)=O)n2)cc1 ZINC000095612486 562785586 /nfs/dbraw/zinc/78/55/86/562785586.db2.gz TYBVKHRBHSANDI-RDKKHIPBSA-N -1 0 799.882 2.579 1 0 KFAFRM CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095613655 562786421 /nfs/dbraw/zinc/78/64/21/562786421.db2.gz IHBIJADDDDFNAJ-BBACVFHCSA-N -1 0 796.926 2.905 1 0 KFAFRM C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@H](O[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(C)(C)O ZINC000095617627 574416994 /nfs/dbraw/zinc/41/69/94/574416994.db2.gz USYNZBLVOOXNSN-HWNFQEAQSA-N -1 0 606.753 2.800 1 0 endogenous,world KFAFRM C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@H](O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(C)(C)O ZINC000095617628 574416979 /nfs/dbraw/zinc/41/69/79/574416979.db2.gz USYNZBLVOOXNSN-SFVRNRCFSA-N -1 0 606.753 2.800 1 0 endogenous,world KFAFRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1C(=O)NCCCN1CCOCC1 ZINC000095872225 562790031 /nfs/dbraw/zinc/79/00/31/562790031.db2.gz LCGACXPVSJJYHE-SSBOKUKZSA-N -1 0 590.721 2.886 1 0 KFAFRM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1C(=O)NCCCN1CCOCC1 ZINC000095872226 562790008 /nfs/dbraw/zinc/79/00/08/562790008.db2.gz LCGACXPVSJJYHE-YTCPBCGMSA-N -1 0 590.721 2.886 1 0 KFAFRM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1C(=O)NCCCN1CCOCC1 ZINC000095872227 562790020 /nfs/dbraw/zinc/79/00/20/562790020.db2.gz LCGACXPVSJJYHE-MPFGFTFXSA-N -1 0 590.721 2.886 1 0 KFAFRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1C(=O)NCCCN1CCOCC1 ZINC000095872228 562790050 /nfs/dbraw/zinc/79/00/50/562790050.db2.gz LCGACXPVSJJYHE-ZGIBFIJWSA-N -1 0 590.721 2.886 1 0 KFAFRM COc1ccc(-c2oc3c4c(cc(=O)c-3c([O-])c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC(C)(C)C=C4)cc1 ZINC000095909321 553714702 /nfs/dbraw/zinc/71/47/02/553714702.db2.gz HFACBAJBHOSYOZ-GULSFEPBSA-N -1 0 512.511 2.565 1 0 biogenic,in-vitro KFAFRM CCCS(=O)(=O)c1cnc(N2CCN(C(=O)[N-]S(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC000096272824 562794258 /nfs/dbraw/zinc/79/42/58/562794258.db2.gz HBLIPFDRTLHMEB-UHFFFAOYSA-N -1 0 527.477 2.854 1 0 KFAFRM CCN(CC)c1ncc(N(CC)S(=O)(=O)N(C)C)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273502 562794533 /nfs/dbraw/zinc/79/45/33/562794533.db2.gz NWAMIYLHUKLGAN-NRFANRHFSA-N -1 0 577.708 2.658 1 0 KFAFRM CCN(CC)c1ncc(N(CC)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273508 562794491 /nfs/dbraw/zinc/79/44/91/562794491.db2.gz WQRWVWWUVJMCFW-FQEVSTJZSA-N -1 0 548.666 2.811 1 0 KFAFRM CCNc1ncc(N(C(C)C)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273512 562794554 /nfs/dbraw/zinc/79/45/54/562794554.db2.gz YKUCCSWXXBJAOL-IBGZPJMESA-N -1 0 534.639 2.785 1 0 KFAFRM CCN(CC)c1ncc(N(c2ncccn2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273514 562794564 /nfs/dbraw/zinc/79/45/64/562794564.db2.gz SSWUDBNXURSBGV-NRFANRHFSA-N -1 0 598.686 2.913 1 0 KFAFRM COc1ccc(-c2ccc(C(=O)N[C@H](CO)C(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2cccc(C(N)=O)c2)n1 ZINC000096283211 562794795 /nfs/dbraw/zinc/79/47/95/562794795.db2.gz QOJVSMMGUMUYEI-OAQYLSRUSA-N -1 0 534.569 2.943 1 0 in-vitro KFAFRM C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](COc2cc(F)cc(F)c2)[C@@H](O)CC(=O)NCC(=O)NCc2ccc(C(=O)[O-])cc2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000096302126 562796304 /nfs/dbraw/zinc/79/63/04/562796304.db2.gz WYJCIBRLASGGRM-RLDSBJTASA-N -1 0 809.845 2.911 1 0 KFAFRM Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC34C(=O)[N-]C(=O)NC4=O)cc2)c2ccccc2n1 ZINC000096316642 562796505 /nfs/dbraw/zinc/79/65/05/562796505.db2.gz BIMPKRWFMWVAKJ-HSZRJFAPSA-N -1 0 573.606 2.824 1 0 KFAFRM Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC34C(=O)[N-]C(=O)NC4=O)cc2)c2ccccc2n1 ZINC000096316643 562796480 /nfs/dbraw/zinc/79/64/80/562796480.db2.gz BIMPKRWFMWVAKJ-QHCPKHFHSA-N -1 0 573.606 2.824 1 0 KFAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 ZINC000096900081 562796718 /nfs/dbraw/zinc/79/67/18/562796718.db2.gz WKLOXXYNSRILFT-QHCPKHFHSA-N -1 0 569.659 2.851 1 0 KFAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(NC(=O)C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000096905486 562798475 /nfs/dbraw/zinc/79/84/75/562798475.db2.gz QYVDEYRBQUXSCR-LJQANCHMSA-N -1 0 573.599 2.613 1 0 KFAFRM Cc1ccc(S(=O)(=O)N(C)c2cncnc2N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])cc1 ZINC000096907661 562799175 /nfs/dbraw/zinc/79/91/75/562799175.db2.gz AQRMPFCDLOBVMH-FQEVSTJZSA-N -1 0 513.576 2.778 1 0 KFAFRM CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(CCC)c(Br)c(=O)[n-]1 ZINC000096916009 562801100 /nfs/dbraw/zinc/80/11/00/562801100.db2.gz HUXIRPTUIBCBEG-UHFFFAOYSA-N -1 0 513.458 2.877 1 0 KFAFRM CCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916027 562801138 /nfs/dbraw/zinc/80/11/38/562801138.db2.gz UALMJAGSIJNOTF-UHFFFAOYSA-N -1 0 543.484 2.722 1 0 KFAFRM CCOC(=O)CNc1nc2ccc(-c3cnc(OC)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cn2n1 ZINC000096921862 562801547 /nfs/dbraw/zinc/80/15/47/562801547.db2.gz WNQIPKTTWSVBJF-UHFFFAOYSA-N -1 0 500.512 2.715 1 0 KFAFRM CCCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)/C=C/C(=O)[O-])c3cc(C(=O)NC4CC4)ccc3C)c2c1C ZINC000096928079 562802745 /nfs/dbraw/zinc/80/27/45/562802745.db2.gz KONVXCZBTUVWLG-MDZDMXLPSA-N -1 0 578.582 2.794 1 0 KFAFRM CC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1CCCNS(=O)(=O)c1ccccc1 ZINC000096940404 562804954 /nfs/dbraw/zinc/80/49/54/562804954.db2.gz QFIGTHRXTXXYIX-UHFFFAOYSA-N -1 0 516.595 2.684 1 0 KFAFRM CC(=O)Nc1ccc(S(=O)(=O)NCCCn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc2C(C)(C)C)cc1 ZINC000096940412 562804935 /nfs/dbraw/zinc/80/49/35/562804935.db2.gz AMRUDLBDXGFIDK-UHFFFAOYSA-N -1 0 573.647 2.643 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@H]3N(Cc3ccc(F)c(F)c3)C1=O)N2 ZINC000098065364 562805102 /nfs/dbraw/zinc/80/51/02/562805102.db2.gz FUYGFKRYXHLTKS-KBXCAEBGSA-N -1 0 552.581 2.872 1 0 KFAFRM NC(=O)[C@H](Cc1ccc(C2=CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000098082171 562805209 /nfs/dbraw/zinc/80/52/09/562805209.db2.gz QBATVDUEFUNXGP-ZEQRLZLVSA-N -1 0 628.629 2.829 1 0 KFAFRM Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3-c3cccnc3)CC2)cn1 ZINC000098208274 562805942 /nfs/dbraw/zinc/80/59/42/562805942.db2.gz WSCXEOSPTMGMGQ-UHFFFAOYSA-N -1 0 562.496 2.944 1 0 in-vitro KFAFRM NC(=O)CC[C@H](NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(N)=O ZINC000098209333 562806072 /nfs/dbraw/zinc/80/60/72/562806072.db2.gz KGPPRBTYRFIDAL-GOTSBHOMSA-N -1 0 564.664 2.600 1 0 in-vitro KFAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1N1CCSCC1 ZINC000100012032 562806106 /nfs/dbraw/zinc/80/61/06/562806106.db2.gz FQKAGOPIYIPBGP-LFPGFTMUSA-N -1 0 535.409 2.732 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccccn3)c1=O)N2 ZINC000100087617 562806752 /nfs/dbraw/zinc/80/67/52/562806752.db2.gz JQZPDHBNHZDSLJ-UHFFFAOYSA-N -1 0 542.570 2.859 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3cccnc3)c1=O)N2 ZINC000100087619 562806741 /nfs/dbraw/zinc/80/67/41/562806741.db2.gz LZPFLXBRHHRBKI-UHFFFAOYSA-N -1 0 542.570 2.859 1 0 KFAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccncc3)c1=O)N2 ZINC000100087630 562806744 /nfs/dbraw/zinc/80/67/44/562806744.db2.gz ZWHNLJRVSGIVGW-UHFFFAOYSA-N -1 0 542.570 2.859 1 0 KFAFRM CC(C)(C)CCn1c(=O)c(=C2CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)c(=O)c2cccn21 ZINC000100424933 562806968 /nfs/dbraw/zinc/80/69/68/562806968.db2.gz IFOIHAHIQJSCGH-UHFFFAOYSA-N -1 0 506.606 2.812 1 0 KFAFRM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3c2cccc3CNS(C)(=O)=O)C(=O)[C@@H]1C(C)(C)C ZINC000100425078 562807079 /nfs/dbraw/zinc/80/70/79/562807079.db2.gz UDBQWZPCPSWFLI-HXUWFJFHSA-N -1 0 511.666 2.732 1 0 KFAFRM O=C([O-])[C@H](Cc1ccc(N2C(=O)C[C@@H](c3ccc(O)cc3)C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000100870675 562808342 /nfs/dbraw/zinc/80/83/42/562808342.db2.gz INUDDRIICKNGOP-GSDHBNRESA-N -1 0 555.587 2.742 1 0 KFAFRM CC(C)C[C@H]1CC(=O)N(c2ccc(C[C@H](NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)C1=O ZINC000100870699 562808326 /nfs/dbraw/zinc/80/83/26/562808326.db2.gz RBEBHTTXTRLDHD-XWGVYQGASA-N -1 0 519.598 2.915 1 0 KFAFRM CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C(C)C)ccc3N2)c([O-])c2cccnc21 ZINC000101048747 562808915 /nfs/dbraw/zinc/80/89/15/562808915.db2.gz RVXAJFQEHULQHB-UHFFFAOYSA-N -1 0 533.632 2.859 1 0 KFAFRM CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)NC4CCCC4)ccc3N2)c([O-])c2cccnc21 ZINC000101085922 562809037 /nfs/dbraw/zinc/80/90/37/562809037.db2.gz UETQKIUTZSLQRY-UHFFFAOYSA-N -1 0 574.685 2.898 1 0 KFAFRM CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)N4CCCCC4)ccc3N2)c([O-])c2cccnc21 ZINC000101100132 562809225 /nfs/dbraw/zinc/80/92/25/562809225.db2.gz OIILLBRUGQCENM-UHFFFAOYSA-N -1 0 574.685 2.852 1 0 KFAFRM CC(C)(C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3c2cccc3[N-]S(C)(=O)=O)C(=O)N1Cc1ccc(F)cc1 ZINC000101287979 562810223 /nfs/dbraw/zinc/81/02/23/562810223.db2.gz YYQJQWOCQVVUQF-OAQYLSRUSA-N -1 0 521.592 2.958 1 0 KFAFRM Cc1cc(CN2C(=O)C(=C3[N-]S(=O)(=O)c4c3cccc4CNS(C)(=O)=O)C(=O)[C@@H]2C(C)(C)C)ccc1F ZINC000101287992 562810226 /nfs/dbraw/zinc/81/02/26/562810226.db2.gz DHZIDFFWYOJIBF-HSZRJFAPSA-N -1 0 549.646 2.944 1 0 KFAFRM NS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2 ZINC000101672419 562811671 /nfs/dbraw/zinc/81/16/71/562811671.db2.gz XMSGTULYDYYVDY-UHFFFAOYSA-N -1 0 560.560 2.847 1 0 KFAFRM Cc1cccc(CN2C(=O)C(=C3Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)N3)C(=O)[C@H]3CCC[C@H]32)c1 ZINC000101691569 562811745 /nfs/dbraw/zinc/81/17/45/562811745.db2.gz IVVBJSLLVYVULT-PKOBYXMFSA-N -1 0 530.628 2.902 1 0 KFAFRM NC(=O)OCc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3cc(F)ccc3n(CCC3CC3)c1=O)N2 ZINC000101994548 562812487 /nfs/dbraw/zinc/81/24/87/562812487.db2.gz NJJDOHLBYJJWKC-UHFFFAOYSA-N -1 0 500.508 2.803 1 0 KFAFRM COc1cccc(CN2C(=O)C(=C3Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)N3)C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1 ZINC000102001065 562812532 /nfs/dbraw/zinc/81/25/32/562812532.db2.gz WGNYQVZRHRCFBV-FACYHLHNSA-N -1 0 572.665 2.849 1 0 KFAFRM CN(C)C(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3cc(F)ccc3n(CCC3CC3)c1=O)N2 ZINC000102002854 562812520 /nfs/dbraw/zinc/81/25/20/562812520.db2.gz CEVBDPVAKUNIQD-UHFFFAOYSA-N -1 0 528.562 2.674 1 0 KFAFRM O=C(Cn1c(=O)c(C(=O)NCc2ccc(F)cc2)c([O-])c2ncc(Cc3ccc(F)cc3)cc21)N1CCOCC1 ZINC000102899582 562813455 /nfs/dbraw/zinc/81/34/55/562813455.db2.gz PSTJDKLNPIOKOG-UHFFFAOYSA-N -1 0 548.546 2.760 1 0 KFAFRM CN(C)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(F)cc2)c([O-])c2ncc(Cc3ccc(F)cc3)cc21 ZINC000102905945 562813503 /nfs/dbraw/zinc/81/35/03/562813503.db2.gz DVTZVOHNHIDPQF-UHFFFAOYSA-N -1 0 506.509 2.989 1 0 KFAFRM CC(C)(C)c1[nH]cnc1C=c1[n-]c(=O)c(=Cc2cccc(C(=O)c3ccc(C(F)(F)F)cc3)c2)[nH]c1=O ZINC000102993873 562814008 /nfs/dbraw/zinc/81/40/08/562814008.db2.gz OWROJOBYLXJBCN-FDYZEBBJSA-N -1 0 508.500 2.991 1 0 KFAFRM CC(C)(C)c1[nH]cnc1C=c1[n-]c(=O)c(=Cc2cccc(C(=O)c3ccc(Br)cc3)c2)[nH]c1=O ZINC000102994223 562813982 /nfs/dbraw/zinc/81/39/82/562813982.db2.gz CNOMYYLXXWXJHE-FDYZEBBJSA-N -1 0 519.399 2.735 1 0 KFAFRM COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2sccc2COCC(Cl)(Cl)Cl)n1 ZINC000103167771 562814662 /nfs/dbraw/zinc/81/46/62/562814662.db2.gz VWKYAHBYHHGUTA-UHFFFAOYSA-N -1 0 505.789 2.953 1 0 KFAFRM COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2sccc2COCC(F)(F)C(F)(F)F)n1 ZINC000103167776 562814669 /nfs/dbraw/zinc/81/46/69/562814669.db2.gz SBJCHDOWSWROIC-UHFFFAOYSA-N -1 0 506.431 2.780 1 0 KFAFRM COc1cnc(OC)n2nc([N-]S(=O)(=O)c3c(OCC(F)(F)F)cccc3C(F)(F)F)nc12 ZINC000103193629 562815769 /nfs/dbraw/zinc/81/57/69/562815769.db2.gz OSEMZABURDWAKF-UHFFFAOYSA-N -1 0 501.365 2.902 1 0 KFAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(=O)(=O)c3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000103224543 562817568 /nfs/dbraw/zinc/81/75/68/562817568.db2.gz AXGUQIBZCHSNLP-LVEBQJTPSA-N -1 0 582.587 2.802 1 0 KFAFRM COc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1 ZINC000103224546 562817579 /nfs/dbraw/zinc/81/75/79/562817579.db2.gz VVUCWSMRFDUYGK-QNMIOERPSA-N -1 0 612.613 2.811 1 0 KFAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(=O)(=O)c3ccc(F)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000103224557 562817582 /nfs/dbraw/zinc/81/75/82/562817582.db2.gz GIWQWLURJDHYMG-LVEBQJTPSA-N -1 0 600.577 2.941 1 0 KFAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(=O)(=O)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000103224562 562817577 /nfs/dbraw/zinc/81/75/77/562817577.db2.gz ITUGBOIARZDCSE-QNMIOERPSA-N -1 0 596.614 2.943 1 0 KFAFRM CCCCS(=O)(=O)[N-]C(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000103224592 562817593 /nfs/dbraw/zinc/81/75/93/562817593.db2.gz FKCPXQJHDDFUPQ-AZIXLERZSA-N -1 0 562.597 2.543 1 0 KFAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CN4CCN(Cc5ccccc5)CC4)CC3)c(F)cc2c1=O ZINC000103231208 562818247 /nfs/dbraw/zinc/81/82/47/562818247.db2.gz CQDLVNWOCGKGKI-UHFFFAOYSA-N -1 0 547.631 2.640 1 0 KFAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CN4CCN(c5ccccc5)CC4)CC3)c(F)cc2c1=O ZINC000103231211 562818241 /nfs/dbraw/zinc/81/82/41/562818241.db2.gz MYBVHYJQNYTUEY-UHFFFAOYSA-N -1 0 533.604 2.645 1 0 KFAFRM COc1cccc(N2CCN(CC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)CC2)c1 ZINC000103231223 562818292 /nfs/dbraw/zinc/81/82/92/562818292.db2.gz XQQPTHLXSIUDFM-UHFFFAOYSA-N -1 0 563.630 2.653 1 0 KFAFRM Cc1cccc(N2CCN(CC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)CC2)c1 ZINC000103231225 562818276 /nfs/dbraw/zinc/81/82/76/562818276.db2.gz PIQAUBPKZIMMAL-UHFFFAOYSA-N -1 0 547.631 2.953 1 0 KFAFRM COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[N-]S(C)(=O)=O)c2cc(-c3cccs3)ccc2n1 ZINC000103233034 562818428 /nfs/dbraw/zinc/81/84/28/562818428.db2.gz ZJIWRRXPHCDIEE-QFIPXVFZSA-N -1 0 553.618 2.872 1 0 KFAFRM CCCN(CCC)C(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC000103235218 562818628 /nfs/dbraw/zinc/81/86/28/562818628.db2.gz VENSGUUYPGHMKN-JYFHCDHNSA-N -1 0 563.607 2.941 1 0 KFAFRM CCCN(CCC)C(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)o1 ZINC000103235222 562818745 /nfs/dbraw/zinc/81/87/45/562818745.db2.gz WPYMFMLOEKOSCU-JYFHCDHNSA-N -1 0 603.632 2.586 1 0 KFAFRM CC(=O)N[C@@H](CSc1ccc(C(N)=O)c2c1Nc1c(C(N)=O)cc(C(=O)c3ccccc3)cc1N2C)C(=O)[O-] ZINC000103241589 562819589 /nfs/dbraw/zinc/81/95/89/562819589.db2.gz ZSWYLEPUUBUTJS-SFHVURJKSA-N -1 0 547.593 2.622 1 0 KFAFRM CC(=O)N[C@H](CSc1ccc(C(N)=O)c2c1Nc1c(C(N)=O)cc(C(=O)c3ccccc3)cc1N2C)C(=O)[O-] ZINC000103241591 562819603 /nfs/dbraw/zinc/81/96/03/562819603.db2.gz ZSWYLEPUUBUTJS-GOSISDBHSA-N -1 0 547.593 2.622 1 0 KFAFRM CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)[N-]S(=O)(=O)C1CC1)n2Cc1cc(S(N)(=O)=O)ccc1F ZINC000103252950 562820469 /nfs/dbraw/zinc/82/04/69/562820469.db2.gz ALIWJYPLDBXFNH-UHFFFAOYSA-N -1 0 572.640 2.616 1 0 KFAFRM CCCCO[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[N-]S(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000103257680 562820931 /nfs/dbraw/zinc/82/09/31/562820931.db2.gz FNYOVHOBVOVBFZ-AUFFTCOMSA-N -1 0 624.801 2.670 1 0 KFAFRM O=C(COc1ccc(-c2cc(=O)c3c([O-])cc(OCC(=O)OCCCCO[N+](=O)[O-])cc3o2)cc1)OCCCCO[N+](=O)[O-] ZINC000103259855 562821133 /nfs/dbraw/zinc/82/11/33/562821133.db2.gz MHUCUWNXWFJXAB-UHFFFAOYSA-N -1 0 620.520 2.987 1 0 KFAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CN4CCN(c5ccc(F)c(F)c5)CC4)CC3)c(F)cc2c1=O ZINC000103294176 562824369 /nfs/dbraw/zinc/82/43/69/562824369.db2.gz QYYJPRXAVDEACR-UHFFFAOYSA-N -1 0 569.584 2.923 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000115437682 562828874 /nfs/dbraw/zinc/82/88/74/562828874.db2.gz CTINNEWZQMVBHY-OXQOHEQNSA-N -1 0 544.992 2.599 1 0 KFAFRM CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000115437686 562828905 /nfs/dbraw/zinc/82/89/05/562828905.db2.gz CTINNEWZQMVBHY-OXJNMPFZSA-N -1 0 544.992 2.599 1 0 KFAFRM O=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncn(COP(=O)([O-])[O-])n4)c(F)c3)c2n1 ZINC000116185061 562829263 /nfs/dbraw/zinc/82/92/63/562829263.db2.gz QPUWXYFFJPOVGS-LJQANCHMSA-N -1 0 552.419 2.954 1 0 KFAFRM O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000118519393 562830293 /nfs/dbraw/zinc/83/02/93/562830293.db2.gz LCKYCDCHIPVEQA-UHFFFAOYSA-N -1 0 511.522 2.970 1 0 KFAFRM COC[C@H](C)NC(=O)c1nc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)sc1C(=O)[O-] ZINC000136319904 562831160 /nfs/dbraw/zinc/83/11/60/562831160.db2.gz KGZHRAVDXGQUQM-WCQGTBRESA-N -1 0 548.449 2.573 1 0 KFAFRM CO[C@@H](C)CNC(=O)c1nc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)sc1C(=O)[O-] ZINC000136326918 562831157 /nfs/dbraw/zinc/83/11/57/562831157.db2.gz GJPLARNFXUUBBL-WCQGTBRESA-N -1 0 548.449 2.573 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NC(=O)c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC000136613736 562831200 /nfs/dbraw/zinc/83/12/00/562831200.db2.gz GJPAJAUMHIACEQ-QFIPXVFZSA-N -1 0 588.621 2.660 1 0 KFAFRM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccnc2)cc(C(=O)N2CCN(C)CC2)c1 ZINC000138161070 562831756 /nfs/dbraw/zinc/83/17/56/562831756.db2.gz ZTLGAYSVVFMYOC-UHFFFAOYSA-N -1 0 533.614 2.965 1 0 KFAFRM COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000138193470 562831775 /nfs/dbraw/zinc/83/17/75/562831775.db2.gz JYYUXZUNDHPLEI-UHFFFAOYSA-N -1 0 516.605 2.503 1 0 KFAFRM COc1ccc(CCCS(C)(=O)=O)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000138528179 562831974 /nfs/dbraw/zinc/83/19/74/562831974.db2.gz ZEXHFUCNRRBYEQ-UHFFFAOYSA-N -1 0 530.632 2.894 1 0 KFAFRM CC(C)C(=O)O[C@@H](C)OC(=O)N[C@@H](CC[S@](C)=O)CSSC[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-] ZINC000139336172 562832442 /nfs/dbraw/zinc/83/24/42/562832442.db2.gz PODABKAFZCMGQS-BPKQRLMNSA-N -1 0 576.759 2.836 1 0 KFAFRM CC(C)C(=O)O[C@H](C)OC(=O)N[C@@H](CC[S@](C)=O)CSSC[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-] ZINC000139336285 562832440 /nfs/dbraw/zinc/83/24/40/562832440.db2.gz PODABKAFZCMGQS-QDJJXFCDSA-N -1 0 576.759 2.836 1 0 KFAFRM O=C([O-])[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)NC1=NNNN1 ZINC000142162529 562833974 /nfs/dbraw/zinc/83/39/74/562833974.db2.gz UICHKPYJUXBLSG-GOTSBHOMSA-N -1 0 506.994 2.593 1 0 KFAFRM COc1ccc([C@@H](O)C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)[N-]S(C)(=O)=O)c(C)s2)c(F)c1 ZINC000142704903 562834289 /nfs/dbraw/zinc/83/42/89/562834289.db2.gz SZZZOPPCCGSYDP-HSZRJFAPSA-N -1 0 549.646 2.984 1 0 KFAFRM COC1COC2(CN(c3ncc(C(=O)[O-])s3)CC[C@H]2NC(=O)c2[nH]c(C)c(Cl)c2Cl)OC1 ZINC000142776096 562834312 /nfs/dbraw/zinc/83/43/12/562834312.db2.gz RINSZEUILDCFND-LFBZESBLSA-N -1 0 505.380 2.551 1 0 KFAFRM C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C(=O)[O-])ncnc2Nc1ccc(Br)cc1F ZINC000143261524 562834854 /nfs/dbraw/zinc/83/48/54/562834854.db2.gz WTKHKEHPGMXSBH-UHFFFAOYSA-N -1 0 518.299 2.979 1 0 KFAFRM CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCc3nnn[n-]3)ccc12 ZINC000143947737 562835444 /nfs/dbraw/zinc/83/54/44/562835444.db2.gz GWOOAVRWPDGLTE-ZHRRBRCNSA-N -1 0 571.972 2.984 1 0 KFAFRM NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O ZINC000144372193 562836167 /nfs/dbraw/zinc/83/61/67/562836167.db2.gz MUGAWCXYWNGHML-GOTSBHOMSA-N -1 0 564.664 2.600 1 0 KFAFRM NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)cc1 ZINC000144372405 562836178 /nfs/dbraw/zinc/83/61/78/562836178.db2.gz IIRLMDJELCRLPB-DQEYMECFSA-N -1 0 517.582 2.554 1 0 KFAFRM NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2cccs2)cc1 ZINC000144381293 562836184 /nfs/dbraw/zinc/83/61/84/562836184.db2.gz QQGKYSPTORHWNZ-VXKWHMMOSA-N -1 0 523.611 2.616 1 0 KFAFRM CC(=O)O[C@H]1[C@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)C[C@@H](C)[C@H](OC(C)=O)[C@H]1O ZINC000144488908 562836277 /nfs/dbraw/zinc/83/62/77/562836277.db2.gz WADXCMSONJVPKX-LTBIHHBXSA-N -1 0 514.483 2.588 1 0 KFAFRM CC(=O)O[C@@H]1[C@@H](C)C[C@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)[C@@H](OC(C)=O)[C@H]1O ZINC000144510255 562836293 /nfs/dbraw/zinc/83/62/93/562836293.db2.gz WADXCMSONJVPKX-NWZCJRRASA-N -1 0 514.483 2.588 1 0 KFAFRM CC(=O)O[C@@H]1[C@H](O)[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)C[C@H](C)[C@H]1OC(C)=O ZINC000144531517 562836329 /nfs/dbraw/zinc/83/63/29/562836329.db2.gz LLFRXYFZGCTTDG-FIKJVCJOSA-N -1 0 514.483 2.588 1 0 KFAFRM CC(=O)O[C@H]1[C@H](C)C[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(C)=O ZINC000144531752 562836368 /nfs/dbraw/zinc/83/63/68/562836368.db2.gz LLFRXYFZGCTTDG-OTGJNIAMSA-N -1 0 514.483 2.588 1 0 KFAFRM NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O ZINC000144562397 562836434 /nfs/dbraw/zinc/83/64/34/562836434.db2.gz RIICMTINBCLPOY-UIOOFZCWSA-N -1 0 558.635 2.538 1 0 KFAFRM Cc1n[nH]c2c1[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N(C(=O)C=Cc1c(F)c(Cl)ccc1-n1cnnn1)CC2 ZINC000145842165 562837670 /nfs/dbraw/zinc/83/76/70/562837670.db2.gz AYAKVDYEJGZWBH-MFJULSPGSA-N -1 0 550.938 2.962 1 0 KFAFRM Cc1n[nH]c2c1[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N(C(=O)C=Cc1c(F)c(Cl)ccc1-n1cnnn1)CC2 ZINC000145842363 562837634 /nfs/dbraw/zinc/83/76/34/562837634.db2.gz AYAKVDYEJGZWBH-CJHOVAGGSA-N -1 0 550.938 2.962 1 0 KFAFRM CC(C)C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2F)s1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000145928267 562837779 /nfs/dbraw/zinc/83/77/79/562837779.db2.gz JRFWEPKREKVKLE-BBRMVZONSA-N -1 0 507.540 2.639 1 0 KFAFRM CC(C)C[C@H](Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2F)s1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000145945843 562837763 /nfs/dbraw/zinc/83/77/63/562837763.db2.gz JRFWEPKREKVKLE-CJNGLKHVSA-N -1 0 507.540 2.639 1 0 KFAFRM Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)cc2nc1N1CC(O)C1 ZINC000147480043 562839390 /nfs/dbraw/zinc/83/93/90/562839390.db2.gz HMHCZRZWVOXHAI-FQEVSTJZSA-N -1 0 519.027 2.611 1 0 KFAFRM COc1ccc(CCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(NC(=O)CO)cc2)c1 ZINC000147525753 562839459 /nfs/dbraw/zinc/83/94/59/562839459.db2.gz SDJLJRYFABMMAB-UHFFFAOYSA-N -1 0 523.571 2.648 1 0 KFAFRM CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000147706564 562839523 /nfs/dbraw/zinc/83/95/23/562839523.db2.gz VOOWYLAUROXLNZ-INIZCTEOSA-N -1 0 513.498 2.656 1 0 KFAFRM CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000147716362 562839521 /nfs/dbraw/zinc/83/95/21/562839521.db2.gz VOOWYLAUROXLNZ-MRXNPFEDSA-N -1 0 513.498 2.656 1 0 KFAFRM COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)c(CN(C)C)n2)c1 ZINC000147968481 562839773 /nfs/dbraw/zinc/83/97/73/562839773.db2.gz MOZQKIROXCTUPJ-UHFFFAOYSA-N -1 0 573.701 2.565 1 0 KFAFRM NC(=O)n1cc(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(CC(=O)[O-])cc21 ZINC000148155729 562840372 /nfs/dbraw/zinc/84/03/72/562840372.db2.gz HHRRLQDKSHOVPC-VMRPVKRXSA-N -1 0 526.952 2.836 1 0 KFAFRM CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(C)=O)c3ccc(C(=O)[O-])cc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000148276244 562840838 /nfs/dbraw/zinc/84/08/38/562840838.db2.gz YFNKTDIMKJXZBU-PDIWNELESA-N -1 0 548.930 2.610 1 0 KFAFRM COc1ccc(CCCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)c(CN(C)C)n2)c1 ZINC000148529976 562841486 /nfs/dbraw/zinc/84/14/86/562841486.db2.gz WODOGQVXCIUUBL-UHFFFAOYSA-N -1 0 525.635 2.903 1 0 KFAFRM COCCc1ccc(OC)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cn(C)c(CS(C)(=O)=O)n1 ZINC000149479009 562842684 /nfs/dbraw/zinc/84/26/84/562842684.db2.gz BJFMGWUVBVEEIN-UHFFFAOYSA-N -1 0 560.658 2.650 1 0 KFAFRM CO[C@@H]1[C@H]([C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)[O-])N(CCc2ccccc2)C(=O)Nc2ccccc2C)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000150522796 562843522 /nfs/dbraw/zinc/84/35/22/562843522.db2.gz TYGMACINTGSIES-ZGOQMAMDSA-N -1 0 626.707 2.557 1 0 KFAFRM O=c1c2c(nc3[n-]nc([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n31)nc1c(c2-c2ccc(Cl)cc2)CCC/C1=C\c1ccc(Cl)cc1 ZINC000150551602 562844605 /nfs/dbraw/zinc/84/46/05/562844605.db2.gz YTLDBUGETRFBDT-KJYVFFTCSA-N -1 0 624.481 2.925 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(=O)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000150561351 562844890 /nfs/dbraw/zinc/84/48/90/562844890.db2.gz WQJCWOJNLIJQKF-HJEQBHELSA-N -1 0 881.881 2.999 1 0 KFAFRM CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)[N-]S(=O)(=O)C1CC1 ZINC000150564194 562844966 /nfs/dbraw/zinc/84/49/66/562844966.db2.gz VKRMJRJZOHAQMT-UPMWSNGQSA-N -1 0 715.870 2.869 1 0 KFAFRM CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)[N-]S(=O)(=O)C1CC1 ZINC000150575790 562845303 /nfs/dbraw/zinc/84/53/03/562845303.db2.gz QHSISMWKFUPLLL-LOUXOOFSSA-N -1 0 713.854 2.950 1 0 KFAFRM COc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)c(OC)c1 ZINC000150591099 562846178 /nfs/dbraw/zinc/84/61/78/562846178.db2.gz LFETWVSZIYSUIZ-QKHVDVHYSA-N -1 0 642.639 2.819 1 0 KFAFRM COc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000150594202 562846495 /nfs/dbraw/zinc/84/64/95/562846495.db2.gz PEPWVZMBSOOVLI-DEIHTGSNSA-N -1 0 648.680 2.782 1 0 KFAFRM CC(C)(C)OC(=O)N[C@H]1CCCC/C=C\[C@@H]2C[C@@]2(C(=O)[N-]S(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O ZINC000150601520 562847240 /nfs/dbraw/zinc/84/72/40/562847240.db2.gz AESNYUJSYZDZNC-XKXKJDRCSA-N -1 0 717.817 2.754 1 0 KFAFRM CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]2C[C@@]2(C(=O)[N-]S(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O ZINC000150601523 562847238 /nfs/dbraw/zinc/84/72/38/562847238.db2.gz GCRQGTZAJIWEHL-MJLXZQEUSA-N -1 0 719.833 2.978 1 0 KFAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)c5cnn(C)n5)C(=O)N4C3)cc(OC(C)C)nc2c1C ZINC000150606642 562847989 /nfs/dbraw/zinc/84/79/89/562847989.db2.gz GHUXTSFKJMEWDR-PMPRTXRGSA-N -1 0 806.943 2.618 1 0 KFAFRM CCOc1cc(O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)[N-]S(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)c4ccn[nH]4)C(=O)N3C2)c2ccc(OC)c(C)c2n1 ZINC000150606677 562847987 /nfs/dbraw/zinc/84/79/87/562847987.db2.gz NKFDKDRRKUCFEY-QVBNDVBHSA-N -1 0 777.901 2.824 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](N)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]([NH3+])Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000150619002 562848858 /nfs/dbraw/zinc/84/88/58/562848858.db2.gz GAMVLIUHJHWAHQ-SWHLWKPMSA-N -1 0 907.304 2.564 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]([NH3+])Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000150619008 562848853 /nfs/dbraw/zinc/84/88/53/562848853.db2.gz GAMVLIUHJHWAHQ-CVUOCSEZSA-N -1 0 907.304 2.564 1 0 KFAFRM CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CCC[C@H]2CCCC[C@H]21)C(=O)[O-])C(=O)CCCC1CC[NH2+]CC1 ZINC000165279929 562850061 /nfs/dbraw/zinc/85/00/61/562850061.db2.gz VWSBHFWKGOESTL-KJWQXZETSA-N -1 0 578.751 2.530 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(C)(C)C)nc(-c3ccccc3)n2)CC1 ZINC000168135313 562851275 /nfs/dbraw/zinc/85/12/75/562851275.db2.gz SVTHVVJIJPJGMZ-IBGZPJMESA-N -1 0 525.606 2.705 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(C)C)nc(-c3ccccc3)n2)CC1 ZINC000168144719 562851251 /nfs/dbraw/zinc/85/12/51/562851251.db2.gz UPXQLIWUUTYFND-IBGZPJMESA-N -1 0 511.579 2.531 1 0 KFAFRM CCCCc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)n1 ZINC000168744304 562851530 /nfs/dbraw/zinc/85/15/30/562851530.db2.gz HIZOTAWTPMIDDW-NRFANRHFSA-N -1 0 525.606 2.750 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NC(=O)C3CCCCC3)nc(-c3ccccc3)n2)CC1 ZINC000168834921 562851549 /nfs/dbraw/zinc/85/15/49/562851549.db2.gz MBHGPQWRQSNOES-QFIPXVFZSA-N -1 0 594.669 2.926 1 0 KFAFRM Cc1cc(C(=O)N2CC(NC(=O)c3ccccn3)C2)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000169196869 562851658 /nfs/dbraw/zinc/85/16/58/562851658.db2.gz XVXKYFXKWDRQFP-UHFFFAOYSA-N -1 0 501.568 2.993 1 0 KFAFRM O=C(NC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)c(F)c2)C1)c1ccccn1 ZINC000169284191 562851720 /nfs/dbraw/zinc/85/17/20/562851720.db2.gz MIWOZDQEFXGCTE-UHFFFAOYSA-N -1 0 505.531 2.824 1 0 KFAFRM CC(C)[C@H](CC[C@@H](C)[C@H]1C[C@H](OS(=O)(=O)[O-])[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000169297878 562852631 /nfs/dbraw/zinc/85/26/31/562852631.db2.gz OKAHKEMGGOSBJG-YSQXDMSQSA-N -1 0 648.856 2.671 1 0 KFAFRM CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](OS(=O)(=O)[O-])CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O ZINC000169302256 562853029 /nfs/dbraw/zinc/85/30/29/562853029.db2.gz AGWMWTCIIYRMTA-DKKJKVFASA-N -1 0 610.722 2.946 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@@H](c4nnnn4C(C)(C)C)c4ccncc4)CC3)cc21 ZINC000169308127 562854014 /nfs/dbraw/zinc/85/40/14/562854014.db2.gz ZNTRJXAFPTWSKP-HSZRJFAPSA-N -1 0 534.596 2.907 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H](c4nnnn4C(C)(C)C)c4ccncc4)CC3)cc21 ZINC000169308128 562854011 /nfs/dbraw/zinc/85/40/11/562854011.db2.gz ZNTRJXAFPTWSKP-QHCPKHFHSA-N -1 0 534.596 2.907 1 0 KFAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CNC(=O)OCc4ccccc4)CC3)c(F)cc2c1=O ZINC000169309676 562854442 /nfs/dbraw/zinc/85/44/42/562854442.db2.gz FNQBAOXNZBTEHO-UHFFFAOYSA-N -1 0 522.533 2.749 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=O)[C@H](Cc4ccccc4)NC(=O)OCc4ccccc4)CC3)nc21 ZINC000169309685 562854433 /nfs/dbraw/zinc/85/44/33/562854433.db2.gz CEUOREXMVPENAW-VWLOTQADSA-N -1 0 584.633 2.696 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)[C@H](C)NC(=O)OCc4ccccc4)CC3)cc21 ZINC000169309690 562854438 /nfs/dbraw/zinc/85/44/38/562854438.db2.gz CTBKJVYVENAUQU-KRWDZBQOSA-N -1 0 524.549 2.822 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)[C@@H](C)NC(=O)OCc4ccccc4)CC3)cc21 ZINC000169309691 562854450 /nfs/dbraw/zinc/85/44/50/562854450.db2.gz CTBKJVYVENAUQU-QGZVFWFLSA-N -1 0 524.549 2.822 1 0 KFAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@@H](O)C3)cc(-c3ccccc3)n2)CC1 ZINC000169310944 562854998 /nfs/dbraw/zinc/85/49/98/562854998.db2.gz YBRICPHMUGKTCX-RPBOFIJWSA-N -1 0 595.697 2.754 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000169319222 562856216 /nfs/dbraw/zinc/85/62/16/562856216.db2.gz XBQMARLCINVHEM-LQBCTSRJSA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169319224 562856206 /nfs/dbraw/zinc/85/62/06/562856206.db2.gz XBQMARLCINVHEM-JSRHHAARSA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000169319894 562856301 /nfs/dbraw/zinc/85/63/01/562856301.db2.gz YXOOYMGXDFIVOI-JSRHHAARSA-N -1 0 692.814 2.697 1 0 KFAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CC(N)=O)Cc1ccccc1 ZINC000169320481 562856432 /nfs/dbraw/zinc/85/64/32/562856432.db2.gz DDCWLSAGVYYMFZ-JSRHHAARSA-N -1 0 692.814 2.697 1 0 KFAFRM CCN(CC)c1ncnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H]2CO[P@@](=O)([O-])O[C@H]2[C@H]1O ZINC000169320630 562856440 /nfs/dbraw/zinc/85/64/40/562856440.db2.gz VGBABQODXMXXNP-WVSUBDOOSA-N -1 0 507.509 2.739 1 0 KFAFRM O=C([O-])CCNC(=O)c1cnc(NC(=O)[C@@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1 ZINC000169326265 562857724 /nfs/dbraw/zinc/85/77/24/562857724.db2.gz RAFLSTZWHDRWED-IBGZPJMESA-N -1 0 535.644 2.823 1 0 KFAFRM O=C([O-])CCNC(=O)c1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1 ZINC000169326266 562857719 /nfs/dbraw/zinc/85/77/19/562857719.db2.gz RAFLSTZWHDRWED-LJQANCHMSA-N -1 0 535.644 2.823 1 0 KFAFRM O=[P@@]1([O-])OC[C@H]2O[C@@H](n3c(SCc4ccccc4)nc4c3ncnc4N3CCCCC3)[C@H](O)[C@@H]2O1 ZINC000169328022 562858206 /nfs/dbraw/zinc/85/82/06/562858206.db2.gz WIKLUXJOOGBXNQ-QTQZEZTPSA-N -1 0 519.520 2.883 1 0 KFAFRM CC(C)(C)NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169328033 562858232 /nfs/dbraw/zinc/85/82/32/562858232.db2.gz GNCTXZCRPJHAQB-ORYMTKCHSA-N -1 0 792.935 2.529 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOC4=C(c5ccccc5)C(=O)OC4)CC3)cc21 ZINC000169330490 562858704 /nfs/dbraw/zinc/85/87/04/562858704.db2.gz CEJQNZBABJHJRF-UHFFFAOYSA-N -1 0 521.545 2.965 1 0 KFAFRM CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169330653 562858708 /nfs/dbraw/zinc/85/87/08/562858708.db2.gz NCEZLTGXSCIBMC-KRCBVYEFSA-N -1 0 779.892 2.566 1 0 KFAFRM COc1ccc2nccc(C(=O)NCCC3CCN(S(=O)(=O)N=C([O-])NC4CCCCC4)CC3)c2c1 ZINC000169331499 562859033 /nfs/dbraw/zinc/85/90/33/562859033.db2.gz UBEVKWFDEMGQIF-UHFFFAOYSA-N -1 0 517.652 2.952 1 0 KFAFRM CCCCc1nc2c(nc(SCc3ccccc3)n2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]3[C@H]2O)c(N)n1 ZINC000169339016 562860360 /nfs/dbraw/zinc/86/03/60/562860360.db2.gz ZVOPQGVMOZSGOH-AEVYOOLXSA-N -1 0 507.509 2.818 1 0 KFAFRM COc1ccc(Cl)cc1C(=O)NCCC1CCN(S(=O)(=O)N=C([O-])NN2CCCCCC2)CC1 ZINC000169340738 562860665 /nfs/dbraw/zinc/86/06/65/562860665.db2.gz UBGXCJHTKFDQSP-UHFFFAOYSA-N -1 0 516.064 2.516 1 0 KFAFRM CCCC(=O)Nc1ncnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H]2CO[P@@](=O)([O-])O[C@H]2[C@H]1O ZINC000169345324 562861591 /nfs/dbraw/zinc/86/15/91/562861591.db2.gz OUAJLWHSKSBXGQ-AEVYOOLXSA-N -1 0 521.492 2.631 1 0 KFAFRM O=C([O-])C1=C(Cc2cccnc2)CS[C@@H]2[C@H](NC(=O)[C@@H](C(=O)Oc3ccccc3)c3cccs3)C(=O)N12 ZINC000169347143 562861902 /nfs/dbraw/zinc/86/19/02/562861902.db2.gz BXPMBTMDRCMDTC-DCLXLUIPSA-N -1 0 535.603 2.814 1 0 KFAFRM O=C([O-])C1=C(Cc2cccnc2)CS[C@@H]2[C@H](NC(=O)[C@H](C(=O)Oc3ccccc3)c3cccs3)C(=O)N12 ZINC000169347144 562861893 /nfs/dbraw/zinc/86/18/93/562861893.db2.gz BXPMBTMDRCMDTC-YOSAUDMPSA-N -1 0 535.603 2.814 1 0 KFAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](C(=O)COc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1 ZINC000169360212 562864124 /nfs/dbraw/zinc/86/41/24/562864124.db2.gz MRCDCBFNFBQWQV-CUEMQOIFSA-N -1 0 684.831 2.839 1 0 KFAFRM Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)COC2)n1 ZINC000169697125 562866416 /nfs/dbraw/zinc/86/64/16/562866416.db2.gz YOFLVURHBHANJB-KRWDZBQOSA-N -1 0 538.889 2.888 1 0 KFAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCCCC3)c3ccc(C)cc3n2)CC1 ZINC000169701294 562868017 /nfs/dbraw/zinc/86/80/17/562868017.db2.gz MAHOFDIDXRFMIP-AZIXZEHSSA-N -1 0 708.813 2.578 1 0 KFAFRM CC[C@H](NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)N[C@@H](CCC(=O)[O-])C(N)=O ZINC000169701545 562868097 /nfs/dbraw/zinc/86/80/97/562868097.db2.gz FFHINXVCVWQCSG-VXKWHMMOSA-N -1 0 506.559 2.671 1 0 KFAFRM CC[C@@H](NC(=O)N1CC2N=NC(=O)N2C[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(N)c1 ZINC000169707615 562870093 /nfs/dbraw/zinc/87/00/93/562870093.db2.gz VBVDJCSKERVLGI-DNVCBOLYSA-N -1 0 542.980 2.988 1 0 KFAFRM CC[C@@H](NC(=O)N1CC2N=NC(=O)N2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(N)c1 ZINC000169707616 562870165 /nfs/dbraw/zinc/87/01/65/562870165.db2.gz VBVDJCSKERVLGI-HNAYVOBHSA-N -1 0 542.980 2.988 1 0 KFAFRM O=C([O-])c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)cc1 ZINC000201540284 562873500 /nfs/dbraw/zinc/87/35/00/562873500.db2.gz ZQQORFVNQRTACB-QFIPXVFZSA-N -1 0 518.961 2.714 1 0 KFAFRM C[C@@H]1CN2c3c(Cl)c4onc(-c5cnc(Br)s5)c4nc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2[C@H](C)O1 ZINC000202887828 562873936 /nfs/dbraw/zinc/87/39/36/562873936.db2.gz CIUFNFOXLZPCDB-FYHVHOSDSA-N -1 0 567.809 2.653 1 0 KFAFRM CO[C@H]1CN(c2nc(C(=O)N(C)C)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000204263812 562874414 /nfs/dbraw/zinc/87/44/14/562874414.db2.gz DJMUEWMILFUPKL-ZJUUUORDSA-N -1 0 504.396 2.510 1 0 KFAFRM CO[C@H]1CN(c2nc(CN3CCOCC3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000204271290 562874402 /nfs/dbraw/zinc/87/44/02/562874402.db2.gz VDJNESCRGWJWLH-OCCSQVGLSA-N -1 0 532.450 2.641 1 0 KFAFRM CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CC(=O)[O-] ZINC000204607394 562874572 /nfs/dbraw/zinc/87/45/72/562874572.db2.gz ZCONVUIWLFTKHH-WOIMJGHISA-N -1 0 722.817 2.822 1 0 KFAFRM CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2F)s1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000206887058 562876580 /nfs/dbraw/zinc/87/65/80/562876580.db2.gz IBHPUOCNUKPTBM-HNNXBMFYSA-N -1 0 507.540 2.783 1 0 KFAFRM Cc1ccc([C@H](Nc2c(=O)c(=O)c2Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2[O-])C2(C)COC2)o1 ZINC000207335829 562876734 /nfs/dbraw/zinc/87/67/34/562876734.db2.gz YWEPAFKNLSBBBU-NRFANRHFSA-N -1 0 509.968 2.727 1 0 KFAFRM Cc1ccc([C@@H](Nc2c(=O)c(=O)c2Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2[O-])C2(C)COC2)o1 ZINC000207335871 562876707 /nfs/dbraw/zinc/87/67/07/562876707.db2.gz YWEPAFKNLSBBBU-OAQYLSRUSA-N -1 0 509.968 2.727 1 0 KFAFRM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc3ccccc3n2)C(=O)N[C@H](C(=O)N[C@H](/C=C(\Cl)S(C)(=O)=O)CC(=O)[O-])C(C)C)cc1 ZINC000217349591 562877519 /nfs/dbraw/zinc/87/75/19/562877519.db2.gz IENIVWGNTWFGIT-WQLZMRGMSA-N -1 0 679.217 2.658 1 0 KFAFRM O=C([O-])c1cn(C[C@H]2O[C@@H](n3cc(Cc4ccc(C5CC5)cc4)c4c3cccc4Cl)[C@H](O)[C@@H](O)[C@@H]2O)nn1 ZINC000219452099 562878231 /nfs/dbraw/zinc/87/82/31/562878231.db2.gz DIBSKUATJLGIRS-XDXGNBCUSA-N -1 0 538.988 2.733 1 0 KFAFRM CCn1cc(CC2(O)CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccc5nccnc54)cc3)CC2)cn1 ZINC000220482845 562878519 /nfs/dbraw/zinc/87/85/19/562878519.db2.gz SRUBOFBAXCHWNM-UHFFFAOYSA-N -1 0 520.615 2.857 1 0 KFAFRM C[C@@H](CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3)OP(=O)([O-])[O-] ZINC000222568987 562879841 /nfs/dbraw/zinc/87/98/41/562879841.db2.gz TWPJXUJGTGKNDN-UCVJIWRCSA-N -1 0 581.921 2.581 1 0 KFAFRM Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(S(=O)(=O)[N-]C(=O)CO)cnn21 ZINC000224696196 562880503 /nfs/dbraw/zinc/88/05/03/562880503.db2.gz SJMZDPCVHPJXEG-UHFFFAOYSA-N -1 0 566.615 2.737 1 0 KFAFRM CS(=O)(=O)Nc1cccc(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1 ZINC000299824124 562883190 /nfs/dbraw/zinc/88/31/90/562883190.db2.gz ATKAJHQISJLDPF-UHFFFAOYSA-N -1 0 654.615 2.920 1 0 KFAFRM CC(C)CCCCCCCCCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)N[C@H](C)CCC(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)C(N)=O ZINC000299824856 562883420 /nfs/dbraw/zinc/88/34/20/562883420.db2.gz DWGUYUOIZRVKRS-JPTSUMRUSA-N -1 0 628.852 2.726 1 0 KFAFRM CC(C)CCCCCCCCCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)N[C@@H](C)CCC(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)C(N)=O ZINC000299824859 562883428 /nfs/dbraw/zinc/88/34/28/562883428.db2.gz DWGUYUOIZRVKRS-NPSTYVEBSA-N -1 0 628.852 2.726 1 0 KFAFRM Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3-c3ccncc3)CC2)cn1 ZINC000299825574 562883620 /nfs/dbraw/zinc/88/36/20/562883620.db2.gz DKPWAWBSOXIVBW-UHFFFAOYSA-N -1 0 562.496 2.944 1 0 KFAFRM CS(=O)(=O)c1ccc(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cc1 ZINC000299825639 562883623 /nfs/dbraw/zinc/88/36/23/562883623.db2.gz DQCSAQAYLJJUSA-UHFFFAOYSA-N -1 0 639.600 2.952 1 0 KFAFRM Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3C3CC3)CC2)cn1 ZINC000299826753 562883999 /nfs/dbraw/zinc/88/39/99/562883999.db2.gz HXJSEUWGSQNESP-UHFFFAOYSA-N -1 0 525.475 2.759 1 0 KFAFRM Cc1c(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cnn1C ZINC000299826864 562883985 /nfs/dbraw/zinc/88/39/85/562883985.db2.gz IHIWYRPASJOQTM-UHFFFAOYSA-N -1 0 579.527 2.591 1 0 KFAFRM Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3Br)CC2)cn1 ZINC000299827598 562884199 /nfs/dbraw/zinc/88/41/99/562884199.db2.gz LIQUTPXNQZLJQR-UHFFFAOYSA-N -1 0 564.306 2.644 1 0 KFAFRM NC(=O)c1cccc(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1 ZINC000299829946 562885051 /nfs/dbraw/zinc/88/50/51/562885051.db2.gz TZUUGDAFBFAIPJ-UHFFFAOYSA-N -1 0 604.533 2.648 1 0 KFAFRM COc1cncc(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1 ZINC000299830040 562885065 /nfs/dbraw/zinc/88/50/65/562885065.db2.gz UVCLXYOQARSBRO-UHFFFAOYSA-N -1 0 592.522 2.953 1 0 KFAFRM CCN1c2ncccc2NC(=O)c2ccc(N3CCN(c4cc5c(cc4N)c(=O)c(C(=O)[O-])cn5C)CC3)nc21 ZINC000299830262 562885202 /nfs/dbraw/zinc/88/52/02/562885202.db2.gz MEZQVVSOFVZFTF-UHFFFAOYSA-N -1 0 540.584 2.659 1 0 KFAFRM CCN1c2ncccc2NC(=O)c2cc(N3CCN(c4cc5c(cc4N)c(=O)c(C(=O)[O-])cn5C)CC3)cnc21 ZINC000299830426 562885247 /nfs/dbraw/zinc/88/52/47/562885247.db2.gz MZRBEWUOJMVMIZ-UHFFFAOYSA-N -1 0 540.584 2.659 1 0 KFAFRM Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3Cl)CC2)cn1 ZINC000299830573 562885280 /nfs/dbraw/zinc/88/52/80/562885280.db2.gz XBUBRXIUOXRHDZ-UHFFFAOYSA-N -1 0 519.855 2.535 1 0 KFAFRM CN(CC(=O)N(C[C@H]1CCCO1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000299830646 562885334 /nfs/dbraw/zinc/88/53/34/562885334.db2.gz ISCFLHLUUPVHOO-LLVKDONJSA-N -1 0 538.447 2.619 1 0 KFAFRM CN(CC(=O)N(C[C@@H]1CCCO1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000299830649 562885338 /nfs/dbraw/zinc/88/53/38/562885338.db2.gz ISCFLHLUUPVHOO-NSHDSACASA-N -1 0 538.447 2.619 1 0 KFAFRM Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(Cc2nccn2C)c2ccc(C(=O)[O-])c(O)c2)c(C)c1 ZINC000299831906 562885721 /nfs/dbraw/zinc/88/57/21/562885721.db2.gz JGWFTZHDFVGFOY-UHFFFAOYSA-N -1 0 500.577 2.603 1 0 KFAFRM COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)[N-]C(=S)Nc3ccccc3)cc2)cc1 ZINC000299832181 562885756 /nfs/dbraw/zinc/88/57/56/562885756.db2.gz SLVWDWIVQNJQEN-UHFFFAOYSA-N -1 0 505.643 2.892 1 0 KFAFRM COc1c([N-]S(=O)(=O)c2ccc(F)cc2)cc(-c2ccc3nc(NC(=O)C4CC4)nn3c2)cc1C(N)=O ZINC000299834673 562886527 /nfs/dbraw/zinc/88/65/27/562886527.db2.gz BWBUELREYUBKNS-UHFFFAOYSA-N -1 0 524.534 2.792 1 0 KFAFRM CO[C@H]1CN(c2nc(C(=O)NC3COC(C)(C)OC3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000299834931 562886658 /nfs/dbraw/zinc/88/66/58/562886658.db2.gz WBDULDQSWCLBSA-OLZOCXBDSA-N -1 0 590.486 2.690 1 0 KFAFRM CCN1c2ncccc2NC(=O)c2cc(NCCNc3cc4c(cc3N)c(=O)c(C(=O)[O-])cn4C)cnc21 ZINC000299835607 562886913 /nfs/dbraw/zinc/88/69/13/562886913.db2.gz WWXZIENDQAZOKH-UHFFFAOYSA-N -1 0 514.546 2.857 1 0 KFAFRM [NH3+][C@](CO)(CCc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1)COP(=O)([O-])[O-] ZINC000299836203 562887070 /nfs/dbraw/zinc/88/70/70/562887070.db2.gz MGNDDFZWNSKXTJ-IBGZPJMESA-N -1 0 502.386 2.565 1 0 KFAFRM [NH3+][C@@](CO)(CCc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1)COP(=O)([O-])[O-] ZINC000299836205 562887067 /nfs/dbraw/zinc/88/70/67/562887067.db2.gz MGNDDFZWNSKXTJ-LJQANCHMSA-N -1 0 502.386 2.565 1 0 KFAFRM COc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cc(-c2ccc3nc(NC(C)=O)nn3c2)cc1C(N)=O ZINC000299837445 562887471 /nfs/dbraw/zinc/88/74/71/562887471.db2.gz KDRGCLOSJMJBSD-UHFFFAOYSA-N -1 0 514.951 2.916 1 0 KFAFRM CC(=O)[N-]S(=O)(=O)c1ccc(-n2c(C)nc3c(I)cc(I)cc3c2=O)cc1 ZINC000299840256 562888495 /nfs/dbraw/zinc/88/84/95/562888495.db2.gz WMFHZWOKHBOZCH-UHFFFAOYSA-N -1 0 609.183 2.728 1 0 KFAFRM CC(C)[C@H](CC[C@@H](C)[C@H]1C[C@H](OS(=O)(=O)[O-])[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O ZINC000299848375 562890225 /nfs/dbraw/zinc/89/02/25/562890225.db2.gz OKAHKEMGGOSBJG-GOBVEUAESA-N -1 0 648.856 2.671 1 0 KFAFRM CC(C)[C@H](CC[C@@H](C)[C@H]1C[C@H](OS(=O)(=O)[O-])[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O ZINC000299848378 562890236 /nfs/dbraw/zinc/89/02/36/562890236.db2.gz OKAHKEMGGOSBJG-LUUPCYICSA-N -1 0 648.856 2.671 1 0 KFAFRM CC(C)[C@H](CC[C@@H](C)[C@H]1C[C@H](OS(=O)(=O)[O-])[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000299848380 562890233 /nfs/dbraw/zinc/89/02/33/562890233.db2.gz OKAHKEMGGOSBJG-TWXBUREMSA-N -1 0 648.856 2.671 1 0 KFAFRM O=C([O-])[C@H]1O[C@@H](Oc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299853052 562891045 /nfs/dbraw/zinc/89/10/45/562891045.db2.gz DSANPNAZRNHWME-RNGZQALNSA-N -1 0 507.710 2.562 1 0 KFAFRM O=C([O-])[C@H]1O[C@H](Oc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299853053 562891053 /nfs/dbraw/zinc/89/10/53/562891053.db2.gz DSANPNAZRNHWME-RPUYLAQPSA-N -1 0 507.710 2.562 1 0 KFAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@H](C)N(CC(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C(=O)Oc2ccc(O)cc2)cc1 ZINC000299853224 562891081 /nfs/dbraw/zinc/89/10/81/562891081.db2.gz HXRMDUSWAOXYFQ-CRGLGLDNSA-N -1 0 692.674 2.975 1 0 KFAFRM COc1ccc(OC(=O)N(CC(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1 ZINC000299854177 562891268 /nfs/dbraw/zinc/89/12/68/562891268.db2.gz VLMNHAOSAKQBJM-WKRHDJAJSA-N -1 0 692.674 2.717 1 0 KFAFRM O=C([O-])[C@H]1O[C@@H](Oc2cc(Cl)ccc2NC(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299854275 562891301 /nfs/dbraw/zinc/89/13/01/562891301.db2.gz XCQBQJHEPXUNPG-RNGZQALNSA-N -1 0 507.710 2.562 1 0 KFAFRM O=C([O-])[C@H]1O[C@H](Oc2cc(Cl)ccc2NC(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299854276 562891335 /nfs/dbraw/zinc/89/13/35/562891335.db2.gz XCQBQJHEPXUNPG-RPUYLAQPSA-N -1 0 507.710 2.562 1 0 KFAFRM O=C([O-])[C@H]1O[C@@H](Oc2cc(Cl)c(Cl)cc2NC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299854396 562891363 /nfs/dbraw/zinc/89/13/63/562891363.db2.gz XZHQVDPNCJWGLS-RNGZQALNSA-N -1 0 507.710 2.562 1 0 KFAFRM O=C([O-])[C@H]1O[C@H](Oc2cc(Cl)c(Cl)cc2NC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299854397 562891336 /nfs/dbraw/zinc/89/13/36/562891336.db2.gz XZHQVDPNCJWGLS-RPUYLAQPSA-N -1 0 507.710 2.562 1 0 KFAFRM CCN(c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000299859392 562892703 /nfs/dbraw/zinc/89/27/03/562892703.db2.gz XIIPVRRCXGPOCW-UHFFFAOYSA-N -1 0 536.950 2.826 1 0 KFAFRM Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1NC(=O)[C@@H]([NH3+])CCc1ccc(O)cc1 ZINC000299863912 562893949 /nfs/dbraw/zinc/89/39/49/562893949.db2.gz QFIZLFVZFOTXHE-OFVILXPXSA-N -1 0 515.570 2.780 1 0 KFAFRM CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCCC2=O)c1)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000299870135 562895407 /nfs/dbraw/zinc/89/54/07/562895407.db2.gz VWZVRNGTSBKQNR-SKVHGFQVSA-N -1 0 769.896 2.731 1 0 KFAFRM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N=c3ccn(COCC(Cl)(Cl)Cl)cc3C(=O)OC(C)(C)C)[C@H]2SC1 ZINC000377811191 562895996 /nfs/dbraw/zinc/89/59/96/562895996.db2.gz WUCSSBXKSTYTMJ-CRAIPNDOSA-N -1 0 666.997 2.627 1 0 KFAFRM C[C@H](OC(=O)CNC(=O)OC(C)(C)C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000473083705 562896826 /nfs/dbraw/zinc/89/68/26/562896826.db2.gz PHLAYSCZYXUOPR-HARLFGEKSA-N -1 0 557.600 2.550 1 0 KFAFRM O=C([O-])CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2 ZINC000473088673 562897345 /nfs/dbraw/zinc/89/73/45/562897345.db2.gz JDRIHSSGXXPQER-LURJTMIESA-N -1 0 506.176 2.697 1 0 KFAFRM O=C([O-])CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2 ZINC000473088675 562897347 /nfs/dbraw/zinc/89/73/47/562897347.db2.gz JDRIHSSGXXPQER-ZCFIWIBFSA-N -1 0 506.176 2.697 1 0 KFAFRM COc1ncc(-c2ccc3nc(=NC(=O)N4CCCC4)[n-]n3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473097065 562897906 /nfs/dbraw/zinc/89/79/06/562897906.db2.gz BXDIIOOGLWXHIE-UHFFFAOYSA-N -1 0 511.539 2.789 1 0 KFAFRM CC[NH+](CC)CCNC(=O)N=c1nc2ccc(-c3cnc(OC)c([N-]S(=O)(=O)c4ccc(C)cc4)c3)cn2[n-]1 ZINC000473098030 562897997 /nfs/dbraw/zinc/89/79/97/562897997.db2.gz FBUYWHIWCGFGGE-UHFFFAOYSA-N -1 0 552.661 2.794 1 0 KFAFRM CC[NH+](CC)CCNC(=O)N=c1nc2ccc(-c3cnc(OC)c([N-]S(=O)(=O)c4ccc(F)cc4F)c3)cn2[n-]1 ZINC000473105290 562898172 /nfs/dbraw/zinc/89/81/72/562898172.db2.gz RQCGZIMOCDOERZ-UHFFFAOYSA-N -1 0 574.614 2.764 1 0 KFAFRM COc1ccc2c(c1OCCCCS(=O)(=O)[O-])C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000473106924 562898294 /nfs/dbraw/zinc/89/82/94/562898294.db2.gz ZNZHDWAAALZJHK-RTWAWAEBSA-N -1 0 535.571 2.920 1 0 KFAFRM COc1ncc(-c2ccc3nc(=NC(=O)NCC[NH+]4CCCCC4)[n-]n3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473108533 562898403 /nfs/dbraw/zinc/89/84/03/562898403.db2.gz MZVYOYMCEXRORF-UHFFFAOYSA-N -1 0 568.635 2.769 1 0 KFAFRM CC[NH+](CC)CCNC(=O)N=c1nc2ccc(-c3cnc(OC)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cn2[n-]1 ZINC000473110939 562898560 /nfs/dbraw/zinc/89/85/60/562898560.db2.gz YCMPAJXRYQKAKZ-UHFFFAOYSA-N -1 0 556.624 2.625 1 0 KFAFRM CN[C@H](C(=O)O[C@H](C)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(C)C ZINC000473112025 562898646 /nfs/dbraw/zinc/89/86/46/562898646.db2.gz CHDNOQIBMZFIHZ-NYHFZMIOSA-N -1 0 532.569 2.566 1 0 KFAFRM CN[C@H](C(=O)O[C@@H](C)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(C)C ZINC000473112027 562898641 /nfs/dbraw/zinc/89/86/41/562898641.db2.gz CHDNOQIBMZFIHZ-QRQCRPRQSA-N -1 0 532.569 2.566 1 0 KFAFRM CCCNC(=O)c1cn2ncnc(N(COP(=O)([O-])[O-])c3cc(C(=O)NC4CC4)ccc3C)c2c1C ZINC000473114682 562898968 /nfs/dbraw/zinc/89/89/68/562898968.db2.gz OTPXLKDUUACSGF-UHFFFAOYSA-N -1 0 516.495 2.583 1 0 KFAFRM Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c3ccccc32)cc1 ZINC000473119848 562899306 /nfs/dbraw/zinc/89/93/06/562899306.db2.gz MSUCZAQRBMNZKQ-RUZDIDTESA-N -1 0 586.626 2.779 1 0 KFAFRM Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c3ccccc32)cc1 ZINC000473119852 562899311 /nfs/dbraw/zinc/89/93/11/562899311.db2.gz MSUCZAQRBMNZKQ-VWLOTQADSA-N -1 0 586.626 2.779 1 0 KFAFRM COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)N=c4cnn(C5CC(F)(F)C5)[n-]4)cc3C2)c1 ZINC000473121835 562899431 /nfs/dbraw/zinc/89/94/31/562899431.db2.gz HDOWDUOKCODCGN-UHFFFAOYSA-N -1 0 503.531 2.565 1 0 KFAFRM Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)[O-])c3ccccc32)cc1 ZINC000473123270 562899555 /nfs/dbraw/zinc/89/95/55/562899555.db2.gz UVNDWKYBZGLGEE-RUZDIDTESA-N -1 0 586.626 2.779 1 0 KFAFRM Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)[O-])c3ccccc32)cc1 ZINC000473123271 562899543 /nfs/dbraw/zinc/89/95/43/562899543.db2.gz UVNDWKYBZGLGEE-VWLOTQADSA-N -1 0 586.626 2.779 1 0 KFAFRM COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)[N-]c4cnn(-c5ccc(F)cc5)n4)cc3C2)c1 ZINC000473123795 562899604 /nfs/dbraw/zinc/89/96/04/562899604.db2.gz MMIVSGRTVAIABY-UHFFFAOYSA-N -1 0 507.547 2.723 1 0 KFAFRM CCn1cc([C@@]2(c3nn(CC(=O)[O-])c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1 ZINC000473130747 562900137 /nfs/dbraw/zinc/90/01/37/562900137.db2.gz LKUFQCLASPKCNE-LYZGTLIUSA-N -1 0 569.557 2.722 1 0 KFAFRM CCn1cc(C(=O)NCCCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000473132067 562900226 /nfs/dbraw/zinc/90/02/26/562900226.db2.gz QQSVCHYAOQZBPH-UHFFFAOYSA-N -1 0 647.660 2.781 1 0 KFAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)CCCNC(=O)c4cn(CC)c5nc(C)ccc5c4=O)CC3)cc21 ZINC000473132389 562900209 /nfs/dbraw/zinc/90/02/09/562900209.db2.gz RGTDABAVCLBJAT-UHFFFAOYSA-N -1 0 618.666 2.756 1 0 KFAFRM CCn1cc(C(=O)NCCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000473133078 562900286 /nfs/dbraw/zinc/90/02/86/562900286.db2.gz WVADDSLSKLWFJI-UHFFFAOYSA-N -1 0 645.644 2.706 1 0 KFAFRM C[C@H](CCC(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653701105 562907492 /nfs/dbraw/zinc/90/74/92/562907492.db2.gz YRGNGOBHHWKRFH-VYACWCJYSA-N -1 0 552.705 2.858 1 0 KFAFRM O=C([N-]S(=O)(=O)c1cccs1)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CSCC3)cn1 ZINC000653711356 562908112 /nfs/dbraw/zinc/90/81/12/562908112.db2.gz BUAUUGNBKLVAAD-UHFFFAOYSA-N -1 0 518.646 2.736 1 0 KFAFRM CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(O[N-]C(=O)OCc2ccccc2)nc3OC)[C@](C)(O)[C@@H]1O)Oc1ccccc1 ZINC000653711446 562908166 /nfs/dbraw/zinc/90/81/66/562908166.db2.gz LMLBLWHZRFOBIB-BWFVSIHXSA-N -1 0 716.641 2.809 1 0 KFAFRM CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(O[N-]C(=O)OCc2ccccc2)nc3OC)[C@](C)(O)[C@@H]1O)Oc1ccccc1 ZINC000653711452 562908161 /nfs/dbraw/zinc/90/81/61/562908161.db2.gz LMLBLWHZRFOBIB-FKVBSWKKSA-N -1 0 716.641 2.809 1 0 KFAFRM COCCCOc1cccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1 ZINC000653719590 562908681 /nfs/dbraw/zinc/90/86/81/562908681.db2.gz QGQCRBLYAPATDC-UHFFFAOYSA-N -1 0 515.592 2.927 1 0 KFAFRM Cn1cnc(S(=O)(=O)[N-]c2cc3c(cc2Oc2cccc(OC[C@@H]4CCOC4)c2)n(C)c(=O)n3C)c1 ZINC000653721438 562908751 /nfs/dbraw/zinc/90/87/51/562908751.db2.gz XUYARXQUNNANMN-MRXNPFEDSA-N -1 0 513.576 2.619 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000653859664 562915937 /nfs/dbraw/zinc/91/59/37/562915937.db2.gz KJXBMGMAMOVHEP-YDIQRDFNSA-N -1 0 533.666 2.662 1 0 KFAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000653859665 562915931 /nfs/dbraw/zinc/91/59/31/562915931.db2.gz KJXBMGMAMOVHEP-ZOCROYAYSA-N -1 0 533.666 2.662 1 0 KFAFRM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000009033428 561708745 /nfs/dbraw/zinc/70/87/45/561708745.db2.gz RKAXLDHTTPHZOB-HXSWHSGASA-N -1 0 513.635 2.521 3 0 KFAFRM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000009033429 561708780 /nfs/dbraw/zinc/70/87/80/561708780.db2.gz RKAXLDHTTPHZOB-CFIPNSJZSA-N -1 0 513.635 2.521 3 0 KFAFRM Cc1c(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCC[C@H](O)C4)c(F)c32)c(=O)n(-c2ccccc2)n1C ZINC000010013959 561709165 /nfs/dbraw/zinc/70/91/65/561709165.db2.gz DMNMPCLCPQUPIB-INIZCTEOSA-N -1 0 510.497 2.726 3 0 KFAFRM Cc1c(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCC[C@@H](O)C4)c(F)c32)c(=O)n(-c2ccccc2)n1C ZINC000010013960 561709191 /nfs/dbraw/zinc/70/91/91/561709191.db2.gz DMNMPCLCPQUPIB-MRXNPFEDSA-N -1 0 510.497 2.726 3 0 KFAFRM CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCC(=O)[O-])nn1 ZINC000013478011 561714808 /nfs/dbraw/zinc/71/48/08/561714808.db2.gz RCTSXYTYQMIGQE-IBGZPJMESA-N -1 0 538.646 2.611 3 0 KFAFRM CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc2ncc(C(=O)[O-])c(O)c2c1)c1ccc(OCC)c(OC)c1 ZINC000015936884 561753302 /nfs/dbraw/zinc/75/33/02/561753302.db2.gz VAJSNFCQMQFFCW-LJQANCHMSA-N -1 0 518.544 2.606 3 0 KFAFRM CCOC(=O)C[C@H](NS(=O)(=O)c1ccc2ncc(C(=O)[O-])c(O)c2c1)c1ccc(OCC)c(OC)c1 ZINC000015936885 561753293 /nfs/dbraw/zinc/75/32/93/561753293.db2.gz VAJSNFCQMQFFCW-IBGZPJMESA-N -1 0 518.544 2.606 3 0 KFAFRM O=S(=O)([N-]C1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1c(F)cccc1F ZINC000036380731 562059809 /nfs/dbraw/zinc/05/98/09/562059809.db2.gz IBDAHCWTFTYRKZ-UHFFFAOYSA-N -1 0 502.561 2.552 3 0 KFAFRM CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(=O)c3c(O)cc([O-])c(CC=C(C)C)c3oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1O ZINC000059807368 562702405 /nfs/dbraw/zinc/70/24/05/562702405.db2.gz ZVEFBUCBFFPLIG-MJTLGMIWSA-N -1 0 542.537 2.863 3 0 KFAFRM O=C([O-])c1cccc2c1C(=O)c1ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc1S2(=O)=O ZINC000061921103 562703190 /nfs/dbraw/zinc/70/31/90/562703190.db2.gz XHDQEZUEOCZQLC-UHFFFAOYSA-N -1 0 506.536 2.813 3 0 KFAFRM CC(C)NC(=O)N(C)C[C@H]1Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061947666 562704076 /nfs/dbraw/zinc/70/40/76/562704076.db2.gz LHWVYZQLIDKFBQ-YCRNBWNJSA-N -1 0 532.663 2.757 3 0 KFAFRM CC(C)NC(=O)N(C)C[C@@H]1Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061947733 562704087 /nfs/dbraw/zinc/70/40/87/562704087.db2.gz LHWVYZQLIDKFBQ-YDHSSHFGSA-N -1 0 532.663 2.757 3 0 KFAFRM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2c([N-]S(C)(=O)=O)cccc2C1=O ZINC000061947827 562704152 /nfs/dbraw/zinc/70/41/52/562704152.db2.gz VXNLNSCWARXTFE-XFQAVAEZSA-N -1 0 522.599 2.581 3 0 KFAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2C1=O ZINC000066128483 562712754 /nfs/dbraw/zinc/71/27/54/562712754.db2.gz DSYXSZXUUAYXOW-YCRNBWNJSA-N -1 0 570.672 2.605 3 0 KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)O2 ZINC000066129366 562712917 /nfs/dbraw/zinc/71/29/17/562712917.db2.gz LSCNAWXLOYTVLX-YYULODDRSA-N -1 0 606.723 2.633 3 0 KFAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000066136411 562713143 /nfs/dbraw/zinc/71/31/43/562713143.db2.gz DIFQBLCWBAWSCO-XLNZFTOWSA-N -1 0 570.672 2.605 3 0 KFAFRM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000066167137 562714224 /nfs/dbraw/zinc/71/42/24/562714224.db2.gz DIFQBLCWBAWSCO-IECBHUPTSA-N -1 0 570.672 2.605 3 0 KFAFRM CC(C)NC(=O)N(C)C[C@H]1Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072104366 562720481 /nfs/dbraw/zinc/72/04/81/562720481.db2.gz SRIBEGCPAFZYLJ-SQGPQFPESA-N -1 0 538.692 2.819 3 0 KFAFRM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000072119597 562723846 /nfs/dbraw/zinc/72/38/46/562723846.db2.gz NFOBBCSMLNCEQG-OHUGHZGNSA-N -1 0 584.699 2.534 3 0 KFAFRM COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4c(C)noc4C)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072127744 562725927 /nfs/dbraw/zinc/72/59/27/562725927.db2.gz BKWAPWVFHDSAGY-CUAXAMRHSA-N -1 0 636.749 2.642 3 0 KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2 ZINC000072128013 562726028 /nfs/dbraw/zinc/72/60/28/562726028.db2.gz CVNXCGJIBSEPDP-DFXHWTJYSA-N -1 0 638.740 2.701 3 0 KFAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2 ZINC000072135722 562727501 /nfs/dbraw/zinc/72/75/01/562727501.db2.gz OPUGAVQNYJACAT-RJYGXOMWSA-N -1 0 624.713 2.772 3 0 KFAFRM CC(C)NC(=O)N(C)C[C@H]1Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072136383 562727914 /nfs/dbraw/zinc/72/79/14/562727914.db2.gz HMGYHNLXIXAUKY-YZZKKUAISA-N -1 0 550.653 2.896 3 0 KFAFRM CC(C)NC(=O)N(C)C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072136661 562728117 /nfs/dbraw/zinc/72/81/17/562728117.db2.gz SMIXCWNNAWHQCL-CSODHUTKSA-N -1 0 538.692 2.819 3 0 KFAFRM COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072137562 562728292 /nfs/dbraw/zinc/72/82/92/562728292.db2.gz YZUPLTZBNUKSOV-OSWQYVSFSA-N -1 0 600.698 2.614 3 0 KFAFRM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000072141232 562729335 /nfs/dbraw/zinc/72/93/35/562729335.db2.gz VJLDMUDEUPSNTR-XHNVNVPESA-N -1 0 602.689 2.673 3 0 KFAFRM COc1ccc(NC(=O)N(C)C[C@H]2Oc3c([N-]S(=O)(=O)c4cn(C)cn4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095569279 562767363 /nfs/dbraw/zinc/76/73/63/562767363.db2.gz OFUFKPCTKSQGAV-XLNZFTOWSA-N -1 0 600.698 2.614 3 0 KFAFRM Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095600422 562778849 /nfs/dbraw/zinc/77/88/49/562778849.db2.gz GXOXGLLWGAZZBI-CLYWQNBRSA-N -1 0 710.876 2.942 3 0 KFAFRM COc1cc(CNc2ncnc3c2ncn3[C@H]2CN(Cc3ccc(C(=O)[O-])cc3)C[C@@H](CO)O2)cc(OC)c1OC ZINC000095604347 562780963 /nfs/dbraw/zinc/78/09/63/562780963.db2.gz KIFKWEIVSYENTA-NZQKXSOJSA-N -1 0 564.599 2.554 3 0 KFAFRM COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095834247 562789399 /nfs/dbraw/zinc/78/93/99/562789399.db2.gz CUDXXJQMVWYKPJ-XLNZFTOWSA-N -1 0 562.689 2.766 3 0 KFAFRM