smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c2c1C ZINC001164409899 718864266 /nfs/dbraw/zinc/86/42/66/718864266.db2.gz VGQYHPDZUCNRIP-ZWKOTPCHSA-N 2 2 473.643 2.977 20 0 JFADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164713610 720140562 /nfs/dbraw/zinc/14/05/62/720140562.db2.gz STSLRAVARLMBBT-QHCPKHFHSA-N 2 2 492.672 2.975 20 0 JFADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164713610 720140572 /nfs/dbraw/zinc/14/05/72/720140572.db2.gz STSLRAVARLMBBT-QHCPKHFHSA-N 2 2 492.672 2.975 20 0 JFADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164713610 720140583 /nfs/dbraw/zinc/14/05/83/720140583.db2.gz STSLRAVARLMBBT-QHCPKHFHSA-N 2 2 492.672 2.975 20 0 JFADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164713610 720140601 /nfs/dbraw/zinc/14/06/01/720140601.db2.gz STSLRAVARLMBBT-QHCPKHFHSA-N 2 2 492.672 2.975 20 0 JFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)n1 ZINC001164815116 720246908 /nfs/dbraw/zinc/24/69/08/720246908.db2.gz ARELEWQTIOOZPC-UHFFFAOYSA-N 2 2 489.605 2.681 20 0 JFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)C2=O)cs1 ZINC001164825943 720384362 /nfs/dbraw/zinc/38/43/62/720384362.db2.gz WBWSMINLVZTHAX-UHFFFAOYSA-N 2 2 454.644 2.756 20 0 JFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)C2=O)cs1 ZINC001164825943 720384369 /nfs/dbraw/zinc/38/43/69/720384369.db2.gz WBWSMINLVZTHAX-UHFFFAOYSA-N 2 2 454.644 2.756 20 0 JFADLP O=S(=O)(c1ccccc1)n1ccc2c[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc21 ZINC001164736793 720578449 /nfs/dbraw/zinc/57/84/49/720578449.db2.gz UMIMKXUETPNTJB-UHFFFAOYSA-N 2 2 477.594 2.523 20 0 JFADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164756588 720897837 /nfs/dbraw/zinc/89/78/37/720897837.db2.gz QRPGOPVOFRSBQG-KCWPFWIISA-N 3 2 477.657 2.554 20 0 JFADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164756588 720897842 /nfs/dbraw/zinc/89/78/42/720897842.db2.gz QRPGOPVOFRSBQG-KCWPFWIISA-N 3 2 477.657 2.554 20 0 JFADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164756589 720898117 /nfs/dbraw/zinc/89/81/17/720898117.db2.gz QRPGOPVOFRSBQG-WNCULLNHSA-N 3 2 477.657 2.554 20 0 JFADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164756589 720898119 /nfs/dbraw/zinc/89/81/19/720898119.db2.gz QRPGOPVOFRSBQG-WNCULLNHSA-N 3 2 477.657 2.554 20 0 JFADLP CN(C)C(=O)c1cc2c[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764916 721134656 /nfs/dbraw/zinc/13/46/56/721134656.db2.gz ILPXPPMRRVBFMX-TZIWHRDSSA-N 2 2 476.629 2.940 20 0 JFADLP CN(C)C(=O)c1cc2c[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764916 721134665 /nfs/dbraw/zinc/13/46/65/721134665.db2.gz ILPXPPMRRVBFMX-TZIWHRDSSA-N 2 2 476.629 2.940 20 0 JFADLP COCCn1ccc2c1nc[nH+]c2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777346 721353768 /nfs/dbraw/zinc/35/37/68/721353768.db2.gz GKENZWIIQUPCDP-XMMPIXPASA-N 2 2 454.575 2.802 20 0 JFADLP COCCn1ccc2c1nc[nH+]c2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777346 721353770 /nfs/dbraw/zinc/35/37/70/721353770.db2.gz GKENZWIIQUPCDP-XMMPIXPASA-N 2 2 454.575 2.802 20 0 JFADLP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164904627 721552501 /nfs/dbraw/zinc/55/25/01/721552501.db2.gz DZJVINFESPGYLA-FPOVZHCZSA-N 2 2 453.566 2.553 20 0 JFADLP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164904627 721552504 /nfs/dbraw/zinc/55/25/04/721552504.db2.gz DZJVINFESPGYLA-FPOVZHCZSA-N 2 2 453.566 2.553 20 0 JFADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165056568 722015503 /nfs/dbraw/zinc/01/55/03/722015503.db2.gz WJBAISKTNFFEKE-OAQYLSRUSA-N 2 2 480.657 2.640 20 0 JFADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165056568 722015506 /nfs/dbraw/zinc/01/55/06/722015506.db2.gz WJBAISKTNFFEKE-OAQYLSRUSA-N 2 2 480.657 2.640 20 0 JFADLP c1ccc(N2CCN(c3cc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164985412 722149617 /nfs/dbraw/zinc/14/96/17/722149617.db2.gz ZJBUFTOCLZIJCC-RSXGOPAZSA-N 2 2 485.636 2.926 20 0 JFADLP c1ccc(N2CCN(c3cc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164985412 722149622 /nfs/dbraw/zinc/14/96/22/722149622.db2.gz ZJBUFTOCLZIJCC-RSXGOPAZSA-N 2 2 485.636 2.926 20 0 JFADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001265064041 1059760363 /nfs/dbraw/zinc/76/03/63/1059760363.db2.gz VSFSJMOCABTWHR-GOSISDBHSA-N 2 2 455.509 2.637 20 0 JFADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001265064041 1059760377 /nfs/dbraw/zinc/76/03/77/1059760377.db2.gz VSFSJMOCABTWHR-GOSISDBHSA-N 2 2 455.509 2.637 20 0 JFADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286973164 1061758944 /nfs/dbraw/zinc/75/89/44/1061758944.db2.gz ZWYNRFIUTKPAOP-FQEVSTJZSA-N 2 2 459.683 2.656 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(-c4cccn4C)n3CC(C)(C)C[NH+](C)C)CC2)s1 ZINC001290496723 1062286737 /nfs/dbraw/zinc/28/67/37/1062286737.db2.gz QODVNXCMWLTMJR-UHFFFAOYSA-N 2 2 456.664 2.959 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)s1 ZINC001290497038 1062287461 /nfs/dbraw/zinc/28/74/61/1062287461.db2.gz TVMDADLMCVSQME-WOJBJXKFSA-N 2 2 461.680 2.845 20 0 JFADLP CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161458 1062562981 /nfs/dbraw/zinc/56/29/81/1062562981.db2.gz ALLPDWPPPOHYAT-AOHZBQACSA-N 2 2 476.710 2.913 20 0 JFADLP CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161458 1062562999 /nfs/dbraw/zinc/56/29/99/1062562999.db2.gz ALLPDWPPPOHYAT-AOHZBQACSA-N 2 2 476.710 2.913 20 0 JFADLP CC(C)[C@@H](Cn1c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287166152 1062576924 /nfs/dbraw/zinc/57/69/24/1062576924.db2.gz YGEKUAJWRMJWFW-XMMPIXPASA-N 2 2 489.753 2.927 20 0 JFADLP CC(C)[C@@H](Cn1c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287166152 1062576930 /nfs/dbraw/zinc/57/69/30/1062576930.db2.gz YGEKUAJWRMJWFW-XMMPIXPASA-N 2 2 489.753 2.927 20 0 JFADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001287223641 1062710080 /nfs/dbraw/zinc/71/00/80/1062710080.db2.gz OTOGLHAFFPXQQG-FGZHOGPDSA-N 2 2 473.666 2.529 20 0 JFADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001287223641 1062710094 /nfs/dbraw/zinc/71/00/94/1062710094.db2.gz OTOGLHAFFPXQQG-FGZHOGPDSA-N 2 2 473.666 2.529 20 0 JFADLP CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001287318769 1062789876 /nfs/dbraw/zinc/78/98/76/1062789876.db2.gz FFRVUZAKBRDMND-HSZRJFAPSA-N 2 2 485.652 2.952 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287328723 1062803720 /nfs/dbraw/zinc/80/37/20/1062803720.db2.gz LEZFTWGQHOHMBK-GOTSBHOMSA-N 2 2 498.720 2.783 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329175 1062805219 /nfs/dbraw/zinc/80/52/19/1062805219.db2.gz RTRJEACWAUDNSP-JWQCQUIFSA-N 2 2 498.720 2.548 20 0 JFADLP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001291103003 1063079283 /nfs/dbraw/zinc/07/92/83/1063079283.db2.gz WTIDFDHMDDPUMW-UXHICEINSA-N 2 2 480.723 2.611 20 0 JFADLP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001291103003 1063079306 /nfs/dbraw/zinc/07/93/06/1063079306.db2.gz WTIDFDHMDDPUMW-UXHICEINSA-N 2 2 480.723 2.611 20 0 JFADLP C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291143670 1063222806 /nfs/dbraw/zinc/22/28/06/1063222806.db2.gz AIWRRHMZVSULJK-FCHUYYIVSA-N 2 2 494.750 2.859 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001295336177 1063256761 /nfs/dbraw/zinc/25/67/61/1063256761.db2.gz NPLNGMCASHNMKH-HSZRJFAPSA-N 2 2 496.635 2.706 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295336814 1063260060 /nfs/dbraw/zinc/26/00/60/1063260060.db2.gz WTSXKTRXNMGCAD-JOCHJYFZSA-N 2 2 467.662 2.728 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295336814 1063260081 /nfs/dbraw/zinc/26/00/81/1063260081.db2.gz WTSXKTRXNMGCAD-JOCHJYFZSA-N 2 2 467.662 2.728 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001295359248 1063319137 /nfs/dbraw/zinc/31/91/37/1063319137.db2.gz WEHUESAIMNGTDO-GOSISDBHSA-N 2 2 477.617 2.679 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295378564 1063348497 /nfs/dbraw/zinc/34/84/97/1063348497.db2.gz GWCBHTVWOAWHMJ-LEWJYISDSA-N 2 2 461.699 2.730 20 0 JFADLP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001295463641 1063464706 /nfs/dbraw/zinc/46/47/06/1063464706.db2.gz NXRINANRFIUBDI-XMMPIXPASA-N 2 2 497.688 2.628 20 0 JFADLP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001295463641 1063464718 /nfs/dbraw/zinc/46/47/18/1063464718.db2.gz NXRINANRFIUBDI-XMMPIXPASA-N 2 2 497.688 2.628 20 0 JFADLP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001295520700 1063556788 /nfs/dbraw/zinc/55/67/88/1063556788.db2.gz UVJMPVJYUJTPAB-XMMPIXPASA-N 2 2 481.689 2.510 20 0 JFADLP CC[N@H+](CCn1c(-c2ccccc2Br)nnc1N(C)CC[NH+]1CCOCC1)C1CC1 ZINC001295833661 1063848108 /nfs/dbraw/zinc/84/81/08/1063848108.db2.gz AGRWADOZYCONPG-UHFFFAOYSA-N 2 2 477.451 2.960 20 0 JFADLP CC[N@@H+](CCn1c(-c2ccccc2Br)nnc1N(C)CC[NH+]1CCOCC1)C1CC1 ZINC001295833661 1063848119 /nfs/dbraw/zinc/84/81/19/1063848119.db2.gz AGRWADOZYCONPG-UHFFFAOYSA-N 2 2 477.451 2.960 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291509551 1064060536 /nfs/dbraw/zinc/06/05/36/1064060536.db2.gz GFYBJUPXRZAHDJ-MLCQCVOFSA-N 2 2 475.726 2.896 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291509550 1064060659 /nfs/dbraw/zinc/06/06/59/1064060659.db2.gz GFYBJUPXRZAHDJ-GPJHCHHRSA-N 2 2 475.726 2.896 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291509550 1064060667 /nfs/dbraw/zinc/06/06/67/1064060667.db2.gz GFYBJUPXRZAHDJ-GPJHCHHRSA-N 2 2 475.726 2.896 20 0 JFADLP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001296009657 1064065850 /nfs/dbraw/zinc/06/58/50/1064065850.db2.gz IBWHAZZNPDLWJA-NHCUHLMSSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001296009657 1064065857 /nfs/dbraw/zinc/06/58/57/1064065857.db2.gz IBWHAZZNPDLWJA-NHCUHLMSSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001296010710 1064069122 /nfs/dbraw/zinc/06/91/22/1064069122.db2.gz CTHCQUOVWYGQQT-HKBOAZHASA-N 2 2 472.634 2.505 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001296010710 1064069127 /nfs/dbraw/zinc/06/91/27/1064069127.db2.gz CTHCQUOVWYGQQT-HKBOAZHASA-N 2 2 472.634 2.505 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291594444 1064130456 /nfs/dbraw/zinc/13/04/56/1064130456.db2.gz HWYACNKZCVIZDZ-VXKWHMMOSA-N 2 2 497.688 2.848 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291594431 1064130481 /nfs/dbraw/zinc/13/04/81/1064130481.db2.gz HWYACNKZCVIZDZ-FCHUYYIVSA-N 2 2 497.688 2.848 20 0 JFADLP CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296074446 1064140510 /nfs/dbraw/zinc/14/05/10/1064140510.db2.gz NZAYDYUYBMXINS-JOCHJYFZSA-N 2 2 456.635 2.727 20 0 JFADLP CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296074446 1064140511 /nfs/dbraw/zinc/14/05/11/1064140511.db2.gz NZAYDYUYBMXINS-JOCHJYFZSA-N 2 2 456.635 2.727 20 0 JFADLP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CCn3cc[nH+]c3C)CC2)CC1 ZINC001296119901 1064206699 /nfs/dbraw/zinc/20/66/99/1064206699.db2.gz ZINQOOPCYMGQCF-UHFFFAOYSA-N 2 2 470.666 2.551 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001296167124 1064290141 /nfs/dbraw/zinc/29/01/41/1064290141.db2.gz QSPJYRGWMDCYJW-NRFANRHFSA-N 2 2 456.635 2.807 20 0 JFADLP CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001296167124 1064290151 /nfs/dbraw/zinc/29/01/51/1064290151.db2.gz QSPJYRGWMDCYJW-NRFANRHFSA-N 2 2 456.635 2.807 20 0 JFADLP CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001296167124 1064290161 /nfs/dbraw/zinc/29/01/61/1064290161.db2.gz QSPJYRGWMDCYJW-NRFANRHFSA-N 2 2 456.635 2.807 20 0 JFADLP CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001296167124 1064290172 /nfs/dbraw/zinc/29/01/72/1064290172.db2.gz QSPJYRGWMDCYJW-NRFANRHFSA-N 2 2 456.635 2.807 20 0 JFADLP CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296195213 1064359669 /nfs/dbraw/zinc/35/96/69/1064359669.db2.gz OVPDYVTWTAJBDJ-QFIPXVFZSA-N 2 2 499.704 2.766 20 0 JFADLP CCN1CC[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296210464 1064400931 /nfs/dbraw/zinc/40/09/31/1064400931.db2.gz FYISHNBIMMIHFR-UHFFFAOYSA-N 2 2 475.632 2.705 20 0 JFADLP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001292920950 1065606571 /nfs/dbraw/zinc/60/65/71/1065606571.db2.gz SNHGVOUBBXCWDW-QGZVFWFLSA-N 2 2 454.537 2.506 20 0 JFADLP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293110145 1065756064 /nfs/dbraw/zinc/75/60/64/1065756064.db2.gz WZBBUPGHXACQFC-XMMPIXPASA-N 2 2 457.018 2.869 20 0 JFADLP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293110145 1065756075 /nfs/dbraw/zinc/75/60/75/1065756075.db2.gz WZBBUPGHXACQFC-XMMPIXPASA-N 2 2 457.018 2.869 20 0 JFADLP CCc1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001293127589 1065778599 /nfs/dbraw/zinc/77/85/99/1065778599.db2.gz MKMRJLUAUBHMLO-XMMPIXPASA-N 2 2 486.661 2.537 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293131341 1065783470 /nfs/dbraw/zinc/78/34/70/1065783470.db2.gz OGQWJPZXRRQPTQ-DNQXCXABSA-N 2 2 475.726 2.726 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293131341 1065783481 /nfs/dbraw/zinc/78/34/81/1065783481.db2.gz OGQWJPZXRRQPTQ-DNQXCXABSA-N 2 2 475.726 2.726 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001293132050 1065784486 /nfs/dbraw/zinc/78/44/86/1065784486.db2.gz UVPQZQBDAYYIGM-RUZDIDTESA-N 2 2 483.705 2.572 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001293132050 1065784498 /nfs/dbraw/zinc/78/44/98/1065784498.db2.gz UVPQZQBDAYYIGM-RUZDIDTESA-N 2 2 483.705 2.572 20 0 JFADLP CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293361410 1065965608 /nfs/dbraw/zinc/96/56/08/1065965608.db2.gz AGIGBFAVMXKWRB-ZEQRLZLVSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293361410 1065965622 /nfs/dbraw/zinc/96/56/22/1065965622.db2.gz AGIGBFAVMXKWRB-ZEQRLZLVSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC001293549244 1066065424 /nfs/dbraw/zinc/06/54/24/1066065424.db2.gz IXYHVXVACUMUQG-HXUWFJFHSA-N 2 2 453.591 2.903 20 0 JFADLP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC001293549244 1066065437 /nfs/dbraw/zinc/06/54/37/1066065437.db2.gz IXYHVXVACUMUQG-HXUWFJFHSA-N 2 2 453.591 2.903 20 0 JFADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC001293589583 1066097074 /nfs/dbraw/zinc/09/70/74/1066097074.db2.gz KIJXSKCSHJVTBA-LLVKDONJSA-N 2 2 454.284 2.961 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2c[nH+]ccc2OC)CC[N@@H+]1CCOC ZINC001294077877 1066547543 /nfs/dbraw/zinc/54/75/43/1066547543.db2.gz SZYHRQLURPAIKV-OAQYLSRUSA-N 2 2 451.575 2.729 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2c[nH+]ccc2OC)CC[N@H+]1CCOC ZINC001294077877 1066547555 /nfs/dbraw/zinc/54/75/55/1066547555.db2.gz SZYHRQLURPAIKV-OAQYLSRUSA-N 2 2 451.575 2.729 20 0 JFADLP CN1CC[NH+](Cc2cc3nc(N4CCCC[C@@H]4C4CC[NH2+]CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417324 718892474 /nfs/dbraw/zinc/89/24/74/718892474.db2.gz JNTQXWOFZJNHPB-HSZRJFAPSA-N 2 2 499.729 2.634 20 0 JFADLP COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164430773 718954053 /nfs/dbraw/zinc/95/40/53/718954053.db2.gz YDSHSEWKPVPSDC-QHCPKHFHSA-N 2 2 463.626 2.835 20 0 JFADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164719663 720127313 /nfs/dbraw/zinc/12/73/13/720127313.db2.gz ZUGDOVQHKZNZBW-HSZRJFAPSA-N 3 2 450.631 2.736 20 0 JFADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164719663 720127315 /nfs/dbraw/zinc/12/73/15/720127315.db2.gz ZUGDOVQHKZNZBW-HSZRJFAPSA-N 3 2 450.631 2.736 20 0 JFADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164713100 720150482 /nfs/dbraw/zinc/15/04/82/720150482.db2.gz QVOMSVDZLXYISC-OAQYLSRUSA-N 2 2 454.644 2.932 20 0 JFADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164713100 720150494 /nfs/dbraw/zinc/15/04/94/720150494.db2.gz QVOMSVDZLXYISC-OAQYLSRUSA-N 2 2 454.644 2.932 20 0 JFADLP CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840640 720600585 /nfs/dbraw/zinc/60/05/85/720600585.db2.gz QCSFIQUIQSVCPS-BHIFYINESA-N 2 2 465.650 2.646 20 0 JFADLP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840640 720600590 /nfs/dbraw/zinc/60/05/90/720600590.db2.gz QCSFIQUIQSVCPS-BHIFYINESA-N 2 2 465.650 2.646 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164773395 721211553 /nfs/dbraw/zinc/21/15/53/721211553.db2.gz WYKGXPNLFISIFE-FGZHOGPDSA-N 2 2 476.604 2.634 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164773395 721211563 /nfs/dbraw/zinc/21/15/63/721211563.db2.gz WYKGXPNLFISIFE-FGZHOGPDSA-N 2 2 476.604 2.634 20 0 JFADLP Cc1nc(COC[C@H]2Cn3nccc3CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)cs1 ZINC001164877882 721331939 /nfs/dbraw/zinc/33/19/39/721331939.db2.gz XJIQMVLXXYZGBN-LJQANCHMSA-N 2 2 453.616 2.648 20 0 JFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1 ZINC001164784076 721357339 /nfs/dbraw/zinc/35/73/39/721357339.db2.gz QGYAFUVPUYEJHW-VWLOTQADSA-N 3 2 454.619 2.557 20 0 JFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1 ZINC001164784076 721357342 /nfs/dbraw/zinc/35/73/42/721357342.db2.gz QGYAFUVPUYEJHW-VWLOTQADSA-N 3 2 454.619 2.557 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)n2)CC1 ZINC001164782976 721359661 /nfs/dbraw/zinc/35/96/61/721359661.db2.gz OMXCLCHLBNMWAU-SANMLTNESA-N 2 2 498.628 2.590 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)n2)CC1 ZINC001164782976 721359666 /nfs/dbraw/zinc/35/96/66/721359666.db2.gz OMXCLCHLBNMWAU-SANMLTNESA-N 2 2 498.628 2.590 20 0 JFADLP CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164902244 721578173 /nfs/dbraw/zinc/57/81/73/721578173.db2.gz DQNZXLIZDGLJBW-JOCHJYFZSA-N 2 2 454.619 2.597 20 0 JFADLP c1nc(CN(c2ncccn2)c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c2n1CCC[NH2+]C2 ZINC001165016752 721767044 /nfs/dbraw/zinc/76/70/44/721767044.db2.gz YFAOFHNYOFJJBH-UHFFFAOYSA-N 2 2 467.581 2.853 20 0 JFADLP c1nc(CN(c2ncccn2)c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c2n1CCC[NH2+]C2 ZINC001165016752 721767050 /nfs/dbraw/zinc/76/70/50/721767050.db2.gz YFAOFHNYOFJJBH-UHFFFAOYSA-N 2 2 467.581 2.853 20 0 JFADLP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164947380 721991385 /nfs/dbraw/zinc/99/13/85/721991385.db2.gz CLCXPROLJCACMA-XMSQKQJNSA-N 2 2 469.051 2.931 20 0 JFADLP O=C1NCCc2[nH]c(-c3cc[nH+]c(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)c3)cc21 ZINC001164964982 722055798 /nfs/dbraw/zinc/05/57/98/722055798.db2.gz ZOTHIPSLOGRQLA-UHFFFAOYSA-N 2 2 472.593 2.877 20 0 JFADLP O=C1NCCc2[nH]c(-c3cc[nH+]c(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)c3)cc21 ZINC001164964982 722055800 /nfs/dbraw/zinc/05/58/00/722055800.db2.gz ZOTHIPSLOGRQLA-UHFFFAOYSA-N 2 2 472.593 2.877 20 0 JFADLP CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165004700 722270127 /nfs/dbraw/zinc/27/01/27/722270127.db2.gz CCJMWMXAUQPSJP-RUZDIDTESA-N 2 2 453.562 2.621 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001286890250 1061353394 /nfs/dbraw/zinc/35/33/94/1061353394.db2.gz PKINLYRETLBZCV-UHFFFAOYSA-N 2 2 485.652 2.591 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001286890250 1061353413 /nfs/dbraw/zinc/35/34/13/1061353413.db2.gz PKINLYRETLBZCV-UHFFFAOYSA-N 2 2 485.652 2.591 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001286890749 1061356743 /nfs/dbraw/zinc/35/67/43/1061356743.db2.gz TWLZADYTYLXHGF-UHFFFAOYSA-N 2 2 461.699 2.587 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001286890749 1061356758 /nfs/dbraw/zinc/35/67/58/1061356758.db2.gz TWLZADYTYLXHGF-UHFFFAOYSA-N 2 2 461.699 2.587 20 0 JFADLP Cc1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001289954705 1061650731 /nfs/dbraw/zinc/65/07/31/1061650731.db2.gz OCESHFIWTIQYGA-JOCHJYFZSA-N 2 2 454.667 2.593 20 0 JFADLP Cc1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001289954705 1061650742 /nfs/dbraw/zinc/65/07/42/1061650742.db2.gz OCESHFIWTIQYGA-JOCHJYFZSA-N 2 2 454.667 2.593 20 0 JFADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001286972322 1061753072 /nfs/dbraw/zinc/75/30/72/1061753072.db2.gz QRCDGZGVVUQKGZ-NRFANRHFSA-N 2 2 473.710 2.973 20 0 JFADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001286972322 1061753095 /nfs/dbraw/zinc/75/30/95/1061753095.db2.gz QRCDGZGVVUQKGZ-NRFANRHFSA-N 2 2 473.710 2.973 20 0 JFADLP CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001286973168 1061759097 /nfs/dbraw/zinc/75/90/97/1061759097.db2.gz ZYQDFZXGTHTRKD-JOCHJYFZSA-N 2 2 484.693 2.915 20 0 JFADLP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294696261 1062258111 /nfs/dbraw/zinc/25/81/11/1062258111.db2.gz DMQNQEYWDKAVTQ-HSZRJFAPSA-N 2 2 482.677 2.595 20 0 JFADLP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294696261 1062258138 /nfs/dbraw/zinc/25/81/38/1062258138.db2.gz DMQNQEYWDKAVTQ-HSZRJFAPSA-N 2 2 482.677 2.595 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001290498807 1062290536 /nfs/dbraw/zinc/29/05/36/1062290536.db2.gz WTRZHNYHJYWDSM-UHFFFAOYSA-N 2 2 496.685 2.635 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001290498807 1062290561 /nfs/dbraw/zinc/29/05/61/1062290561.db2.gz WTRZHNYHJYWDSM-UHFFFAOYSA-N 2 2 496.685 2.635 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001290563819 1062366359 /nfs/dbraw/zinc/36/63/59/1062366359.db2.gz KSORULKALWKKNR-PMACEKPBSA-N 2 2 486.709 2.962 20 0 JFADLP CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161359 1062562207 /nfs/dbraw/zinc/56/22/07/1062562207.db2.gz MRKPTUFMZRLJAD-FUPPJEDESA-N 2 2 490.718 2.833 20 0 JFADLP CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161359 1062562226 /nfs/dbraw/zinc/56/22/26/1062562226.db2.gz MRKPTUFMZRLJAD-FUPPJEDESA-N 2 2 490.718 2.833 20 0 JFADLP CC(C)[C@H](Cn1c(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163266 1062568344 /nfs/dbraw/zinc/56/83/44/1062568344.db2.gz CIUOFVZOKXJFMZ-ZEQRLZLVSA-N 2 2 489.753 2.927 20 0 JFADLP CC(C)[C@@H](Cn1c(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163259 1062568555 /nfs/dbraw/zinc/56/85/55/1062568555.db2.gz CIUOFVZOKXJFMZ-BJKOFHAPSA-N 2 2 489.753 2.927 20 0 JFADLP CC(C)[C@H](Cn1c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287166151 1062576689 /nfs/dbraw/zinc/57/66/89/1062576689.db2.gz YGEKUAJWRMJWFW-DEOSSOPVSA-N 2 2 489.753 2.927 20 0 JFADLP CC(C)[C@H](Cn1c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287166151 1062576710 /nfs/dbraw/zinc/57/67/10/1062576710.db2.gz YGEKUAJWRMJWFW-DEOSSOPVSA-N 2 2 489.753 2.927 20 0 JFADLP Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001290714095 1062646429 /nfs/dbraw/zinc/64/64/29/1062646429.db2.gz UJORZGVYBWTVAW-SFTDATJTSA-N 2 2 462.664 2.515 20 0 JFADLP CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001287223640 1062710224 /nfs/dbraw/zinc/71/02/24/1062710224.db2.gz OTOGLHAFFPXQQG-FCHUYYIVSA-N 2 2 473.666 2.529 20 0 JFADLP CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001287223640 1062710237 /nfs/dbraw/zinc/71/02/37/1062710237.db2.gz OTOGLHAFFPXQQG-FCHUYYIVSA-N 2 2 473.666 2.529 20 0 JFADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC001290859876 1062744202 /nfs/dbraw/zinc/74/42/02/1062744202.db2.gz LBKUZPLBGGXPPA-SANMLTNESA-N 2 2 450.627 2.638 20 0 JFADLP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001290877163 1062761698 /nfs/dbraw/zinc/76/16/98/1062761698.db2.gz SIECXGRXOOLZNY-UHFFFAOYSA-N 2 2 477.535 2.971 20 0 JFADLP CC(C)C[C@@H](Cn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339380 1062816971 /nfs/dbraw/zinc/81/69/71/1062816971.db2.gz UWJDZSFYOLHHJZ-SFTDATJTSA-N 2 2 461.699 2.685 20 0 JFADLP CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001291066031 1063011549 /nfs/dbraw/zinc/01/15/49/1063011549.db2.gz ITTDDLFZTSIJQY-CPJSRVTESA-N 2 2 468.650 2.648 20 0 JFADLP C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107687 1063097582 /nfs/dbraw/zinc/09/75/82/1063097582.db2.gz LQEZGSOZQJEDEL-NHCUHLMSSA-N 2 2 458.626 2.897 20 0 JFADLP C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107687 1063097604 /nfs/dbraw/zinc/09/76/04/1063097604.db2.gz LQEZGSOZQJEDEL-NHCUHLMSSA-N 2 2 458.626 2.897 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](C)C(C)C)CC1 ZINC001295335587 1063253461 /nfs/dbraw/zinc/25/34/61/1063253461.db2.gz CAPZAERLIQQALO-UHFFFAOYSA-N 2 2 476.069 2.929 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)C(C)C)CC1 ZINC001295335587 1063253482 /nfs/dbraw/zinc/25/34/82/1063253482.db2.gz CAPZAERLIQQALO-UHFFFAOYSA-N 2 2 476.069 2.929 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295336347 1063257115 /nfs/dbraw/zinc/25/71/15/1063257115.db2.gz PCSREXFAFVSEEU-UHFFFAOYSA-N 2 2 467.662 2.812 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295337135 1063262156 /nfs/dbraw/zinc/26/21/56/1063262156.db2.gz CGRKZIMAOXPALH-FQEVSTJZSA-N 2 2 494.644 2.541 20 0 JFADLP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187335 1063294624 /nfs/dbraw/zinc/29/46/24/1063294624.db2.gz SLVOZRRLYDBMPM-FXELSEDVSA-N 2 2 450.672 2.835 20 0 JFADLP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187335 1063294641 /nfs/dbraw/zinc/29/46/41/1063294641.db2.gz SLVOZRRLYDBMPM-FXELSEDVSA-N 2 2 450.672 2.835 20 0 JFADLP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187335 1063294646 /nfs/dbraw/zinc/29/46/46/1063294646.db2.gz SLVOZRRLYDBMPM-FXELSEDVSA-N 2 2 450.672 2.835 20 0 JFADLP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187335 1063294667 /nfs/dbraw/zinc/29/46/67/1063294667.db2.gz SLVOZRRLYDBMPM-FXELSEDVSA-N 2 2 450.672 2.835 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001295390537 1063370045 /nfs/dbraw/zinc/37/00/45/1063370045.db2.gz PYSCDDYKDFGVRT-SFTDATJTSA-N 2 2 493.697 2.849 20 0 JFADLP CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)c[nH+]1 ZINC001295414553 1063418141 /nfs/dbraw/zinc/41/81/41/1063418141.db2.gz ZSMCFZVOHOYJBX-FQEVSTJZSA-N 2 2 464.618 2.787 20 0 JFADLP CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c[nH+]1 ZINC001295414553 1063418153 /nfs/dbraw/zinc/41/81/53/1063418153.db2.gz ZSMCFZVOHOYJBX-FQEVSTJZSA-N 2 2 464.618 2.787 20 0 JFADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001295479287 1063487545 /nfs/dbraw/zinc/48/75/45/1063487545.db2.gz CUPMXUPPZRJGCP-UHFFFAOYSA-N 2 2 482.608 2.765 20 0 JFADLP CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001295501311 1063535305 /nfs/dbraw/zinc/53/53/05/1063535305.db2.gz XHYZBXSTYKKDJC-REWPJTCUSA-N 2 2 488.702 2.601 20 0 JFADLP CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC001295501311 1063535325 /nfs/dbraw/zinc/53/53/25/1063535325.db2.gz XHYZBXSTYKKDJC-REWPJTCUSA-N 2 2 488.702 2.601 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295573312 1063612231 /nfs/dbraw/zinc/61/22/31/1063612231.db2.gz VOJOSVBHKPQERO-BWKNWUBXSA-N 2 2 471.650 2.771 20 0 JFADLP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001291458469 1064024932 /nfs/dbraw/zinc/02/49/32/1064024932.db2.gz HXAFJFWUZCHVDL-OQLXKQOESA-N 2 2 472.682 2.765 20 0 JFADLP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001291458469 1064024940 /nfs/dbraw/zinc/02/49/40/1064024940.db2.gz HXAFJFWUZCHVDL-OQLXKQOESA-N 2 2 472.682 2.765 20 0 JFADLP CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001295990984 1064045519 /nfs/dbraw/zinc/04/55/19/1064045519.db2.gz ONYNPHDASSBFLQ-RPWUZVMVSA-N 2 2 456.631 2.988 20 0 JFADLP CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001295990984 1064045527 /nfs/dbraw/zinc/04/55/27/1064045527.db2.gz ONYNPHDASSBFLQ-RPWUZVMVSA-N 2 2 456.631 2.988 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001295997737 1064054298 /nfs/dbraw/zinc/05/42/98/1064054298.db2.gz RWGCZHBWZTZPIL-CPLUKWAASA-N 2 2 475.588 2.729 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001295997737 1064054305 /nfs/dbraw/zinc/05/43/05/1064054305.db2.gz RWGCZHBWZTZPIL-CPLUKWAASA-N 2 2 475.588 2.729 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001295997520 1064054327 /nfs/dbraw/zinc/05/43/27/1064054327.db2.gz RIFJCNWDGROQFZ-MHMIHQHRSA-N 2 2 494.750 2.857 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001295997520 1064054333 /nfs/dbraw/zinc/05/43/33/1064054333.db2.gz RIFJCNWDGROQFZ-MHMIHQHRSA-N 2 2 494.750 2.857 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291572790 1064099042 /nfs/dbraw/zinc/09/90/42/1064099042.db2.gz PBJHDEQKHOYFST-VXNXHJTFSA-N 2 2 475.726 2.614 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001291572790 1064099047 /nfs/dbraw/zinc/09/90/47/1064099047.db2.gz PBJHDEQKHOYFST-VXNXHJTFSA-N 2 2 475.726 2.614 20 0 JFADLP CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296062636 1064128192 /nfs/dbraw/zinc/12/81/92/1064128192.db2.gz TYAFTVKRJFILLH-FPOVZHCZSA-N 2 2 460.598 2.810 20 0 JFADLP CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296062636 1064128195 /nfs/dbraw/zinc/12/81/95/1064128195.db2.gz TYAFTVKRJFILLH-FPOVZHCZSA-N 2 2 460.598 2.810 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296132588 1064230788 /nfs/dbraw/zinc/23/07/88/1064230788.db2.gz BTEOZPHXMRLWLR-YTFSRNRJSA-N 2 2 499.704 2.811 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296132588 1064230792 /nfs/dbraw/zinc/23/07/92/1064230792.db2.gz BTEOZPHXMRLWLR-YTFSRNRJSA-N 2 2 499.704 2.811 20 0 JFADLP CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001296132943 1064232570 /nfs/dbraw/zinc/23/25/70/1064232570.db2.gz FCAQUBBXTSHUIX-QFIPXVFZSA-N 2 2 475.726 2.584 20 0 JFADLP CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001296132943 1064232575 /nfs/dbraw/zinc/23/25/75/1064232575.db2.gz FCAQUBBXTSHUIX-QFIPXVFZSA-N 2 2 475.726 2.584 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296134830 1064237134 /nfs/dbraw/zinc/23/71/34/1064237134.db2.gz QZMWDKHIKFKBHZ-ZLNRFVROSA-N 2 2 499.704 2.811 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296134830 1064237139 /nfs/dbraw/zinc/23/71/39/1064237139.db2.gz QZMWDKHIKFKBHZ-ZLNRFVROSA-N 2 2 499.704 2.811 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291765330 1064245697 /nfs/dbraw/zinc/24/56/97/1064245697.db2.gz LAPLMFHGBUMHOD-FGZHOGPDSA-N 2 2 497.688 2.817 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291765330 1064245705 /nfs/dbraw/zinc/24/57/05/1064245705.db2.gz LAPLMFHGBUMHOD-FGZHOGPDSA-N 2 2 497.688 2.817 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)C[C@H]1C ZINC001296166700 1064287990 /nfs/dbraw/zinc/28/79/90/1064287990.db2.gz ONINIWKIAJOSNR-GOSISDBHSA-N 2 2 468.631 2.697 20 0 JFADLP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)C[C@H]1C ZINC001296166700 1064288004 /nfs/dbraw/zinc/28/80/04/1064288004.db2.gz ONINIWKIAJOSNR-GOSISDBHSA-N 2 2 468.631 2.697 20 0 JFADLP CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296183533 1064329035 /nfs/dbraw/zinc/32/90/35/1064329035.db2.gz FAVJTJAIBYNBAV-QFIPXVFZSA-N 2 2 499.704 2.766 20 0 JFADLP CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291894443 1064524268 /nfs/dbraw/zinc/52/42/68/1064524268.db2.gz QAALJSVLKGFORN-HSZRJFAPSA-N 2 2 470.662 2.699 20 0 JFADLP CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291955683 1064570532 /nfs/dbraw/zinc/57/05/32/1064570532.db2.gz ZSNKDISJYVDZJS-RBBKRZOGSA-N 2 2 461.699 2.901 20 0 JFADLP CCC(CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)[NH+](C)C ZINC001291968030 1064583650 /nfs/dbraw/zinc/58/36/50/1064583650.db2.gz SULTTYSPTJXMOA-FCHUYYIVSA-N 2 2 470.666 2.964 20 0 JFADLP CCc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC001292460484 1065187793 /nfs/dbraw/zinc/18/77/93/1065187793.db2.gz YDIIZZFUNIYEIL-DEOSSOPVSA-N 2 2 463.630 2.974 20 0 JFADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463564 1065192898 /nfs/dbraw/zinc/19/28/98/1065192898.db2.gz XJZGXIHGVLFSRH-URXFXBBRSA-N 2 2 481.689 2.839 20 0 JFADLP CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292920881 1065606629 /nfs/dbraw/zinc/60/66/29/1065606629.db2.gz QKQATHSLNYRVMV-XPTLAUCJSA-N 2 2 456.631 2.574 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293131342 1065783108 /nfs/dbraw/zinc/78/31/08/1065783108.db2.gz OGQWJPZXRRQPTQ-RPWUZVMVSA-N 2 2 475.726 2.726 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293131342 1065783121 /nfs/dbraw/zinc/78/31/21/1065783121.db2.gz OGQWJPZXRRQPTQ-RPWUZVMVSA-N 2 2 475.726 2.726 20 0 JFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210316 1065845897 /nfs/dbraw/zinc/84/58/97/1065845897.db2.gz BHXQKCOJUMCHMD-OXQOHEQNSA-N 2 2 453.414 2.883 20 0 JFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210316 1065845912 /nfs/dbraw/zinc/84/59/12/1065845912.db2.gz BHXQKCOJUMCHMD-OXQOHEQNSA-N 2 2 453.414 2.883 20 0 JFADLP CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001293253312 1065917757 /nfs/dbraw/zinc/91/77/57/1065917757.db2.gz LAEAVWKOBTYQKI-SFHVURJKSA-N 2 2 451.409 2.873 20 0 JFADLP CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001293253312 1065917764 /nfs/dbraw/zinc/91/77/64/1065917764.db2.gz LAEAVWKOBTYQKI-SFHVURJKSA-N 2 2 451.409 2.873 20 0 JFADLP CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC001293622346 1066138714 /nfs/dbraw/zinc/13/87/14/1066138714.db2.gz NLRMCJJYYQJXAK-NRFANRHFSA-N 2 2 484.674 2.690 20 0 JFADLP CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC001293622346 1066138718 /nfs/dbraw/zinc/13/87/18/1066138718.db2.gz NLRMCJJYYQJXAK-NRFANRHFSA-N 2 2 484.674 2.690 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001294073139 1066542574 /nfs/dbraw/zinc/54/25/74/1066542574.db2.gz KJQZMWDJXICIKI-RTWAWAEBSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001294073139 1066542581 /nfs/dbraw/zinc/54/25/81/1066542581.db2.gz KJQZMWDJXICIKI-RTWAWAEBSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001294073139 1066542587 /nfs/dbraw/zinc/54/25/87/1066542587.db2.gz KJQZMWDJXICIKI-RTWAWAEBSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001294073139 1066542589 /nfs/dbraw/zinc/54/25/89/1066542589.db2.gz KJQZMWDJXICIKI-RTWAWAEBSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001294081758 1066550165 /nfs/dbraw/zinc/55/01/65/1066550165.db2.gz OQJPPRJMNJQLQX-HSZRJFAPSA-N 2 2 475.726 2.899 20 0 JFADLP CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001294081758 1066550181 /nfs/dbraw/zinc/55/01/81/1066550181.db2.gz OQJPPRJMNJQLQX-HSZRJFAPSA-N 2 2 475.726 2.899 20 0 JFADLP CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001294081758 1066550198 /nfs/dbraw/zinc/55/01/98/1066550198.db2.gz OQJPPRJMNJQLQX-HSZRJFAPSA-N 2 2 475.726 2.899 20 0 JFADLP CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001294081758 1066550211 /nfs/dbraw/zinc/55/02/11/1066550211.db2.gz OQJPPRJMNJQLQX-HSZRJFAPSA-N 2 2 475.726 2.899 20 0 JFADLP CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC[N@@H+]1CCOC ZINC001294082430 1066551206 /nfs/dbraw/zinc/55/12/06/1066551206.db2.gz REKFVFBIBVNCHH-FPOVZHCZSA-N 2 2 458.607 2.561 20 0 JFADLP CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC[N@H+]1CCOC ZINC001294082430 1066551218 /nfs/dbraw/zinc/55/12/18/1066551218.db2.gz REKFVFBIBVNCHH-FPOVZHCZSA-N 2 2 458.607 2.561 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164391055 718824691 /nfs/dbraw/zinc/82/46/91/718824691.db2.gz SMSAHWAMWKPART-DLBZAZTESA-N 2 2 459.616 2.729 20 0 JFADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164644742 719280298 /nfs/dbraw/zinc/28/02/98/719280298.db2.gz SZNFDRDCCSJWNO-UHFFFAOYSA-N 2 2 488.702 2.909 20 0 JFADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164644742 719280303 /nfs/dbraw/zinc/28/03/03/719280303.db2.gz SZNFDRDCCSJWNO-UHFFFAOYSA-N 2 2 488.702 2.909 20 0 JFADLP CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164677470 719564687 /nfs/dbraw/zinc/56/46/87/719564687.db2.gz NYUGNXQWOLFRTJ-GOSISDBHSA-N 2 2 493.612 2.676 20 0 JFADLP CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164677470 719564692 /nfs/dbraw/zinc/56/46/92/719564692.db2.gz NYUGNXQWOLFRTJ-GOSISDBHSA-N 2 2 493.612 2.676 20 0 JFADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164702705 719848449 /nfs/dbraw/zinc/84/84/49/719848449.db2.gz PDQSXDPORWBCBQ-HOFKKMOUSA-N 2 2 464.610 2.873 20 0 JFADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164702705 719848451 /nfs/dbraw/zinc/84/84/51/719848451.db2.gz PDQSXDPORWBCBQ-HOFKKMOUSA-N 2 2 464.610 2.873 20 0 JFADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164702707 719848691 /nfs/dbraw/zinc/84/86/91/719848691.db2.gz PDQSXDPORWBCBQ-KCWPFWIISA-N 2 2 464.610 2.873 20 0 JFADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164702707 719848693 /nfs/dbraw/zinc/84/86/93/719848693.db2.gz PDQSXDPORWBCBQ-KCWPFWIISA-N 2 2 464.610 2.873 20 0 JFADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164719665 720126852 /nfs/dbraw/zinc/12/68/52/720126852.db2.gz ZUGDOVQHKZNZBW-QHCPKHFHSA-N 3 2 450.631 2.736 20 0 JFADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164719665 720126869 /nfs/dbraw/zinc/12/68/69/720126869.db2.gz ZUGDOVQHKZNZBW-QHCPKHFHSA-N 3 2 450.631 2.736 20 0 JFADLP COc1cc2[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ccc2c(OC)c1 ZINC001164713253 720204111 /nfs/dbraw/zinc/20/41/11/720204111.db2.gz AEDQWZPOAFGNTK-OAQYLSRUSA-N 2 2 452.559 2.597 20 0 JFADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CCC2 ZINC001164812851 720241733 /nfs/dbraw/zinc/24/17/33/720241733.db2.gz JCJUESRRLHDUIN-UHFFFAOYSA-N 2 2 488.640 2.610 20 0 JFADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CCC2 ZINC001164812851 720241746 /nfs/dbraw/zinc/24/17/46/720241746.db2.gz JCJUESRRLHDUIN-UHFFFAOYSA-N 2 2 488.640 2.610 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001164818553 720300149 /nfs/dbraw/zinc/30/01/49/720300149.db2.gz AEVPXHCQIGJXQR-IZZNHLLZSA-N 2 2 474.653 2.946 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001164818553 720300160 /nfs/dbraw/zinc/30/01/60/720300160.db2.gz AEVPXHCQIGJXQR-IZZNHLLZSA-N 2 2 474.653 2.946 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001164818550 720300327 /nfs/dbraw/zinc/30/03/27/720300327.db2.gz AEVPXHCQIGJXQR-CLJLJLNGSA-N 2 2 474.653 2.946 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001164818550 720300333 /nfs/dbraw/zinc/30/03/33/720300333.db2.gz AEVPXHCQIGJXQR-CLJLJLNGSA-N 2 2 474.653 2.946 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CC1 ZINC001164830208 720346475 /nfs/dbraw/zinc/34/64/75/720346475.db2.gz VNTUTJFXBWIVKY-LOSJGSFVSA-N 2 2 489.668 2.715 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)CC1 ZINC001164830208 720346479 /nfs/dbraw/zinc/34/64/79/720346479.db2.gz VNTUTJFXBWIVKY-LOSJGSFVSA-N 2 2 489.668 2.715 20 0 JFADLP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826146 720398956 /nfs/dbraw/zinc/39/89/56/720398956.db2.gz CBJBTHGXRIXGIB-UHFFFAOYSA-N 2 2 460.920 2.903 20 0 JFADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164834453 720479015 /nfs/dbraw/zinc/47/90/15/720479015.db2.gz SFOVYCUELQKHOO-UPVQGACJSA-N 2 2 468.646 2.815 20 0 JFADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164834453 720479022 /nfs/dbraw/zinc/47/90/22/720479022.db2.gz SFOVYCUELQKHOO-UPVQGACJSA-N 2 2 468.646 2.815 20 0 JFADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751064 720853474 /nfs/dbraw/zinc/85/34/74/720853474.db2.gz PYZZWOFOBMWQOW-AYRHNUGRSA-N 2 2 499.667 2.774 20 0 JFADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751064 720853476 /nfs/dbraw/zinc/85/34/76/720853476.db2.gz PYZZWOFOBMWQOW-AYRHNUGRSA-N 2 2 499.667 2.774 20 0 JFADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164860079 720895553 /nfs/dbraw/zinc/89/55/53/720895553.db2.gz SCSMHJCOJYMLPE-UHFFFAOYSA-N 2 2 467.577 2.852 20 0 JFADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164860079 720895554 /nfs/dbraw/zinc/89/55/54/720895554.db2.gz SCSMHJCOJYMLPE-UHFFFAOYSA-N 2 2 467.577 2.852 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164774106 721133792 /nfs/dbraw/zinc/13/37/92/721133792.db2.gz ZURVDPAGWBHRLT-OALUTQOASA-N 2 2 451.575 2.670 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164774106 721133803 /nfs/dbraw/zinc/13/38/03/721133803.db2.gz ZURVDPAGWBHRLT-OALUTQOASA-N 2 2 451.575 2.670 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001164762091 721161590 /nfs/dbraw/zinc/16/15/90/721161590.db2.gz BWNRKNPDBSGASU-FTJBHMTQSA-N 2 2 499.663 2.731 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001164762091 721161597 /nfs/dbraw/zinc/16/15/97/721161597.db2.gz BWNRKNPDBSGASU-FTJBHMTQSA-N 2 2 499.663 2.731 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001164762093 721163400 /nfs/dbraw/zinc/16/34/00/721163400.db2.gz BWNRKNPDBSGASU-UIOOFZCWSA-N 2 2 499.663 2.731 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001164762093 721163412 /nfs/dbraw/zinc/16/34/12/721163412.db2.gz BWNRKNPDBSGASU-UIOOFZCWSA-N 2 2 499.663 2.731 20 0 JFADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+]cnc4c2ccn4Cc2cccc(F)c2)CC3)CC1 ZINC001164799005 721514365 /nfs/dbraw/zinc/51/43/65/721514365.db2.gz VQKLGQYMFJDDHP-UHFFFAOYSA-N 2 2 460.561 2.583 20 0 JFADLP C[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007958 721691330 /nfs/dbraw/zinc/69/13/30/721691330.db2.gz HNPFCUJRVQTALJ-QVNIBDNGSA-N 2 2 450.587 2.631 20 0 JFADLP C[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007956 721691438 /nfs/dbraw/zinc/69/14/38/721691438.db2.gz HNPFCUJRVQTALJ-FZOAFFARSA-N 2 2 450.587 2.631 20 0 JFADLP CC[NH+](CC)C1CCN(c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)CC1 ZINC001165053760 722005038 /nfs/dbraw/zinc/00/50/38/722005038.db2.gz UWGHGDUYIXMLLD-UHFFFAOYSA-N 2 2 487.718 2.586 20 0 JFADLP Cc1ccccc1-c1nnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290130604 1061865194 /nfs/dbraw/zinc/86/51/94/1061865194.db2.gz WUIIFLCKYGKKNH-HSZRJFAPSA-N 2 2 481.689 2.974 20 0 JFADLP CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC001294634607 1062145250 /nfs/dbraw/zinc/14/52/50/1062145250.db2.gz VFANZGSXVKFMQQ-UHFFFAOYSA-N 2 2 485.652 3.000 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCC(O)CC3)CC2)s1 ZINC001290496024 1062284119 /nfs/dbraw/zinc/28/41/19/1062284119.db2.gz AVPGXANZEPZVSB-UHFFFAOYSA-N 2 2 475.707 2.801 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)s1 ZINC001290497037 1062287214 /nfs/dbraw/zinc/28/72/14/1062287214.db2.gz TVMDADLMCVSQME-VQTJNVASSA-N 2 2 461.680 2.845 20 0 JFADLP CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001287222391 1062707970 /nfs/dbraw/zinc/70/79/70/1062707970.db2.gz CYENPEUJGLODCD-HSZRJFAPSA-N 2 2 475.726 2.897 20 0 JFADLP CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001287318772 1062790381 /nfs/dbraw/zinc/79/03/81/1062790381.db2.gz FFRVUZAKBRDMND-QHCPKHFHSA-N 2 2 485.652 2.952 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287328561 1062802789 /nfs/dbraw/zinc/80/27/89/1062802789.db2.gz HSMIUHYGCRIQOY-FGZHOGPDSA-N 2 2 484.693 2.773 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287328722 1062803334 /nfs/dbraw/zinc/80/33/34/1062803334.db2.gz LEZFTWGQHOHMBK-DHIUTWEWSA-N 2 2 498.720 2.783 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328928 1062804445 /nfs/dbraw/zinc/80/44/45/1062804445.db2.gz OXPPBAKLGJIDKF-RPWUZVMVSA-N 2 2 498.720 2.548 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329173 1062805115 /nfs/dbraw/zinc/80/51/15/1062805115.db2.gz RTRJEACWAUDNSP-DQEYMECFSA-N 2 2 498.720 2.548 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290970420 1062844566 /nfs/dbraw/zinc/84/45/66/1062844566.db2.gz QUCNZWQIHCWINA-RTWAWAEBSA-N 2 2 459.639 2.767 20 0 JFADLP CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCOC1 ZINC001291068771 1063016823 /nfs/dbraw/zinc/01/68/23/1063016823.db2.gz RXPQGRRQRGDKPV-RCXJIHSJSA-N 2 2 492.709 2.598 20 0 JFADLP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC001295464233 1063465817 /nfs/dbraw/zinc/46/58/17/1063465817.db2.gz YRABFDHLEAFTRL-IBGZPJMESA-N 2 2 456.639 2.809 20 0 JFADLP CC[N@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[NH+]1CCOCC1)C(C)C ZINC001295838576 1063856535 /nfs/dbraw/zinc/85/65/35/1063856535.db2.gz IKXVFVQESUVDML-UHFFFAOYSA-N 2 2 453.635 2.936 20 0 JFADLP CC[N@@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[NH+]1CCOCC1)C(C)C ZINC001295838576 1063856552 /nfs/dbraw/zinc/85/65/52/1063856552.db2.gz IKXVFVQESUVDML-UHFFFAOYSA-N 2 2 453.635 2.936 20 0 JFADLP CC[N@H+](CCn1c(C2CCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295846559 1063868763 /nfs/dbraw/zinc/86/87/63/1063868763.db2.gz WKCRQZSCYPGRDI-IBGZPJMESA-N 2 2 499.626 2.953 20 0 JFADLP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295846559 1063868783 /nfs/dbraw/zinc/86/87/83/1063868783.db2.gz WKCRQZSCYPGRDI-IBGZPJMESA-N 2 2 499.626 2.953 20 0 JFADLP CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1)C1CC1 ZINC001295869119 1063906431 /nfs/dbraw/zinc/90/64/31/1063906431.db2.gz JJLWBJHYQXWRSY-NRFANRHFSA-N 2 2 491.681 2.603 20 0 JFADLP CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1)C1CC1 ZINC001295869119 1063906448 /nfs/dbraw/zinc/90/64/48/1063906448.db2.gz JJLWBJHYQXWRSY-NRFANRHFSA-N 2 2 491.681 2.603 20 0 JFADLP CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001295990982 1064045467 /nfs/dbraw/zinc/04/54/67/1064045467.db2.gz ONYNPHDASSBFLQ-BJKOFHAPSA-N 2 2 456.631 2.988 20 0 JFADLP CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001295990982 1064045479 /nfs/dbraw/zinc/04/54/79/1064045479.db2.gz ONYNPHDASSBFLQ-BJKOFHAPSA-N 2 2 456.631 2.988 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295997518 1064053614 /nfs/dbraw/zinc/05/36/14/1064053614.db2.gz RIFJCNWDGROQFZ-ISBRNDMJSA-N 2 2 494.750 2.857 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295997518 1064053621 /nfs/dbraw/zinc/05/36/21/1064053621.db2.gz RIFJCNWDGROQFZ-ISBRNDMJSA-N 2 2 494.750 2.857 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295997518 1064053631 /nfs/dbraw/zinc/05/36/31/1064053631.db2.gz RIFJCNWDGROQFZ-ISBRNDMJSA-N 2 2 494.750 2.857 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295997518 1064053637 /nfs/dbraw/zinc/05/36/37/1064053637.db2.gz RIFJCNWDGROQFZ-ISBRNDMJSA-N 2 2 494.750 2.857 20 0 JFADLP CC[NH+]1CCC(CCn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001296031312 1064089446 /nfs/dbraw/zinc/08/94/46/1064089446.db2.gz UIPWOFLFSMUTAW-XMMPIXPASA-N 2 2 489.753 2.929 20 0 JFADLP CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001296037872 1064097883 /nfs/dbraw/zinc/09/78/83/1064097883.db2.gz MOCUGTUYTSSRCR-SFHVURJKSA-N 2 2 477.451 2.818 20 0 JFADLP CC[N@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001296037872 1064097890 /nfs/dbraw/zinc/09/78/90/1064097890.db2.gz MOCUGTUYTSSRCR-SFHVURJKSA-N 2 2 477.451 2.818 20 0 JFADLP CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001296037870 1064098019 /nfs/dbraw/zinc/09/80/19/1064098019.db2.gz MOCUGTUYTSSRCR-GOSISDBHSA-N 2 2 477.451 2.818 20 0 JFADLP CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001296037870 1064098027 /nfs/dbraw/zinc/09/80/27/1064098027.db2.gz MOCUGTUYTSSRCR-GOSISDBHSA-N 2 2 477.451 2.818 20 0 JFADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC001291634780 1064183720 /nfs/dbraw/zinc/18/37/20/1064183720.db2.gz ITSYMAPJENQDGU-JOCHJYFZSA-N 2 2 453.587 2.707 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291767454 1064249425 /nfs/dbraw/zinc/24/94/25/1064249425.db2.gz MYOHLDNZKWVIFH-FQEVSTJZSA-N 2 2 451.619 2.992 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291767454 1064249433 /nfs/dbraw/zinc/24/94/33/1064249433.db2.gz MYOHLDNZKWVIFH-FQEVSTJZSA-N 2 2 451.619 2.992 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001296168966 1064292733 /nfs/dbraw/zinc/29/27/33/1064292733.db2.gz ZGNYNKDYTYIZJK-OAQYLSRUSA-N 2 2 456.635 2.807 20 0 JFADLP CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001296168966 1064292746 /nfs/dbraw/zinc/29/27/46/1064292746.db2.gz ZGNYNKDYTYIZJK-OAQYLSRUSA-N 2 2 456.635 2.807 20 0 JFADLP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291890186 1064515385 /nfs/dbraw/zinc/51/53/85/1064515385.db2.gz VLYSRBBSOWUXQM-VWLOTQADSA-N 2 2 481.689 2.905 20 0 JFADLP CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291890186 1064515399 /nfs/dbraw/zinc/51/53/99/1064515399.db2.gz VLYSRBBSOWUXQM-VWLOTQADSA-N 2 2 481.689 2.905 20 0 JFADLP CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)[NH+](C)C ZINC001291968040 1064584002 /nfs/dbraw/zinc/58/40/02/1064584002.db2.gz SULTTYSPTJXMOA-YADHBBJMSA-N 2 2 470.666 2.964 20 0 JFADLP CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)[NH+](C)C ZINC001291968038 1064584095 /nfs/dbraw/zinc/58/40/95/1064584095.db2.gz SULTTYSPTJXMOA-VXKWHMMOSA-N 2 2 470.666 2.964 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001292018728 1064654845 /nfs/dbraw/zinc/65/48/45/1064654845.db2.gz YIXOGHBBFFMDDC-TUACAJSNSA-N 2 2 497.688 2.656 20 0 JFADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001292309958 1065078203 /nfs/dbraw/zinc/07/82/03/1065078203.db2.gz ZYBMQLQMMZWREP-RBUKOAKNSA-N 2 2 450.509 2.832 20 0 JFADLP COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255469 1065919925 /nfs/dbraw/zinc/91/99/25/1065919925.db2.gz VYRJYCAGWUUTCC-BHIYHBOVSA-N 2 2 458.603 2.539 20 0 JFADLP COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255469 1065919931 /nfs/dbraw/zinc/91/99/31/1065919931.db2.gz VYRJYCAGWUUTCC-BHIYHBOVSA-N 2 2 458.603 2.539 20 0 JFADLP C[C@@H](C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)n1cc[nH+]c1 ZINC001293382889 1065985269 /nfs/dbraw/zinc/98/52/69/1065985269.db2.gz JHKMZEORTSVCSB-INIZCTEOSA-N 2 2 452.372 2.622 20 0 JFADLP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC001293549243 1066065258 /nfs/dbraw/zinc/06/52/58/1066065258.db2.gz IXYHVXVACUMUQG-FQEVSTJZSA-N 2 2 453.591 2.903 20 0 JFADLP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC001293549243 1066065270 /nfs/dbraw/zinc/06/52/70/1066065270.db2.gz IXYHVXVACUMUQG-FQEVSTJZSA-N 2 2 453.591 2.903 20 0 JFADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC001293589584 1066096943 /nfs/dbraw/zinc/09/69/43/1066096943.db2.gz KIJXSKCSHJVTBA-NSHDSACASA-N 2 2 454.284 2.961 20 0 JFADLP COc1cc(N2C[C@@H](C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)CC2=O)cc(OC)c1OC ZINC001293589598 1066096977 /nfs/dbraw/zinc/09/69/77/1066096977.db2.gz LALDSGDJDAFWRX-HNNXBMFYSA-N 2 2 451.483 2.593 20 0 JFADLP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164431947 718968214 /nfs/dbraw/zinc/96/82/14/718968214.db2.gz CVMMIVSAJVMFJY-GOTSBHOMSA-N 2 2 475.515 2.556 20 0 JFADLP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164431947 718968220 /nfs/dbraw/zinc/96/82/20/718968220.db2.gz CVMMIVSAJVMFJY-GOTSBHOMSA-N 2 2 475.515 2.556 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164671668 719444372 /nfs/dbraw/zinc/44/43/72/719444372.db2.gz QOEWDKRKLZNRDB-SJORKVTESA-N 2 2 459.616 2.682 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC001164671668 719444376 /nfs/dbraw/zinc/44/43/76/719444376.db2.gz QOEWDKRKLZNRDB-SJORKVTESA-N 2 2 459.616 2.682 20 0 JFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814780 720095192 /nfs/dbraw/zinc/09/51/92/720095192.db2.gz WPPWSJBCLMTLRL-CJFMBICVSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814780 720095199 /nfs/dbraw/zinc/09/51/99/720095199.db2.gz WPPWSJBCLMTLRL-CJFMBICVSA-N 2 2 481.622 2.853 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001164818555 720300569 /nfs/dbraw/zinc/30/05/69/720300569.db2.gz AEVPXHCQIGJXQR-UIOOFZCWSA-N 2 2 474.653 2.946 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001164818555 720300578 /nfs/dbraw/zinc/30/05/78/720300578.db2.gz AEVPXHCQIGJXQR-UIOOFZCWSA-N 2 2 474.653 2.946 20 0 JFADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751083 720853346 /nfs/dbraw/zinc/85/33/46/720853346.db2.gz PYZZWOFOBMWQOW-SKBVVQJISA-N 2 2 499.667 2.774 20 0 JFADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751083 720853348 /nfs/dbraw/zinc/85/33/48/720853348.db2.gz PYZZWOFOBMWQOW-SKBVVQJISA-N 2 2 499.667 2.774 20 0 JFADLP CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3ccc[nH+]c3)c12 ZINC001164756018 720883025 /nfs/dbraw/zinc/88/30/25/720883025.db2.gz OCNXPTJFVPQAGH-NBGIEHNGSA-N 2 2 496.637 2.512 20 0 JFADLP CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3ccc[nH+]c3)c12 ZINC001164756018 720883026 /nfs/dbraw/zinc/88/30/26/720883026.db2.gz OCNXPTJFVPQAGH-NBGIEHNGSA-N 2 2 496.637 2.512 20 0 JFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868631 721058314 /nfs/dbraw/zinc/05/83/14/721058314.db2.gz OVAJASQLBKQOJP-ZEQRLZLVSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868631 721058319 /nfs/dbraw/zinc/05/83/19/721058319.db2.gz OVAJASQLBKQOJP-ZEQRLZLVSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868631 721058325 /nfs/dbraw/zinc/05/83/25/721058325.db2.gz OVAJASQLBKQOJP-ZEQRLZLVSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868631 721058332 /nfs/dbraw/zinc/05/83/32/721058332.db2.gz OVAJASQLBKQOJP-ZEQRLZLVSA-N 2 2 456.594 2.910 20 0 JFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164776473 721340678 /nfs/dbraw/zinc/34/06/78/721340678.db2.gz BYMUDMSNDDHRRM-XMMPIXPASA-N 2 2 468.558 2.858 20 0 JFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164776473 721340683 /nfs/dbraw/zinc/34/06/83/721340683.db2.gz BYMUDMSNDDHRRM-XMMPIXPASA-N 2 2 468.558 2.858 20 0 JFADLP COCCn1ccc2c1nc[nH+]c2N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777342 721353740 /nfs/dbraw/zinc/35/37/40/721353740.db2.gz GKENZWIIQUPCDP-DEOSSOPVSA-N 2 2 454.575 2.802 20 0 JFADLP COCCn1ccc2c1nc[nH+]c2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777342 721353743 /nfs/dbraw/zinc/35/37/43/721353743.db2.gz GKENZWIIQUPCDP-DEOSSOPVSA-N 2 2 454.575 2.802 20 0 JFADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164783603 721462274 /nfs/dbraw/zinc/46/22/74/721462274.db2.gz DPZHRSXCCGWFLK-HSZRJFAPSA-N 3 2 457.663 2.567 20 0 JFADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164783603 721462276 /nfs/dbraw/zinc/46/22/76/721462276.db2.gz DPZHRSXCCGWFLK-HSZRJFAPSA-N 3 2 457.663 2.567 20 0 JFADLP COC(=O)c1ccc(-c2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)[nH+]c2C)cc1 ZINC001164798254 721518196 /nfs/dbraw/zinc/51/81/96/721518196.db2.gz RBGAXFISCUPGFD-UHFFFAOYSA-N 2 2 460.582 2.808 20 0 JFADLP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164904629 721552451 /nfs/dbraw/zinc/55/24/51/721552451.db2.gz DZJVINFESPGYLA-PZJWPPBQSA-N 2 2 453.566 2.553 20 0 JFADLP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164904629 721552454 /nfs/dbraw/zinc/55/24/54/721552454.db2.gz DZJVINFESPGYLA-PZJWPPBQSA-N 2 2 453.566 2.553 20 0 JFADLP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164904625 721552803 /nfs/dbraw/zinc/55/28/03/721552803.db2.gz DZJVINFESPGYLA-CTNGQTDRSA-N 2 2 453.566 2.553 20 0 JFADLP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164904625 721552804 /nfs/dbraw/zinc/55/28/04/721552804.db2.gz DZJVINFESPGYLA-CTNGQTDRSA-N 2 2 453.566 2.553 20 0 JFADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015545 721766305 /nfs/dbraw/zinc/76/63/05/721766305.db2.gz QWDTZIURJVLZMG-NRFANRHFSA-N 2 2 462.602 2.551 20 0 JFADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015545 721766307 /nfs/dbraw/zinc/76/63/07/721766307.db2.gz QWDTZIURJVLZMG-NRFANRHFSA-N 2 2 462.602 2.551 20 0 JFADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164947019 721972223 /nfs/dbraw/zinc/97/22/23/721972223.db2.gz ZZTCZYJKMQNOPL-UHFFFAOYSA-N 2 2 455.006 2.568 20 0 JFADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164947019 721972224 /nfs/dbraw/zinc/97/22/24/721972224.db2.gz ZZTCZYJKMQNOPL-UHFFFAOYSA-N 2 2 455.006 2.568 20 0 JFADLP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164947370 721991501 /nfs/dbraw/zinc/99/15/01/721991501.db2.gz CLCXPROLJCACMA-GCJKJVERSA-N 2 2 469.051 2.931 20 0 JFADLP C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CCC2 ZINC001165000578 722251375 /nfs/dbraw/zinc/25/13/75/722251375.db2.gz SRLUCBDSENJHMD-UHFFFAOYSA-N 2 2 461.614 2.720 20 0 JFADLP C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CCC2 ZINC001165000578 722251379 /nfs/dbraw/zinc/25/13/79/722251379.db2.gz SRLUCBDSENJHMD-UHFFFAOYSA-N 2 2 461.614 2.720 20 0 JFADLP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001289931071 1061622477 /nfs/dbraw/zinc/62/24/77/1061622477.db2.gz GIZRWCLIVJSZFP-JOCHJYFZSA-N 2 2 463.630 2.937 20 0 JFADLP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001289931071 1061622488 /nfs/dbraw/zinc/62/24/88/1061622488.db2.gz GIZRWCLIVJSZFP-JOCHJYFZSA-N 2 2 463.630 2.937 20 0 JFADLP C[C@H]1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001294201223 1061707713 /nfs/dbraw/zinc/70/77/13/1061707713.db2.gz IBFBNHZVFKSTMY-VCOUNFBDSA-N 2 2 455.603 2.966 20 0 JFADLP C[C@H]1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC001294201223 1061707730 /nfs/dbraw/zinc/70/77/30/1061707730.db2.gz IBFBNHZVFKSTMY-VCOUNFBDSA-N 2 2 455.603 2.966 20 0 JFADLP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001290133770 1061868110 /nfs/dbraw/zinc/86/81/10/1061868110.db2.gz VBBBTTPLHWRTQW-QFIPXVFZSA-N 2 2 456.635 2.521 20 0 JFADLP CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001294513691 1062048186 /nfs/dbraw/zinc/04/81/86/1062048186.db2.gz ICSMEROONIROFX-QFIPXVFZSA-N 2 2 454.667 2.677 20 0 JFADLP CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001294513691 1062048213 /nfs/dbraw/zinc/04/82/13/1062048213.db2.gz ICSMEROONIROFX-QFIPXVFZSA-N 2 2 454.667 2.677 20 0 JFADLP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)CC1 ZINC001294638174 1062152917 /nfs/dbraw/zinc/15/29/17/1062152917.db2.gz OLHLMYMUUZLUAF-DEOSSOPVSA-N 2 2 475.726 2.755 20 0 JFADLP CCC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001294661945 1062213632 /nfs/dbraw/zinc/21/36/32/1062213632.db2.gz XJBHKHOYTVXNEK-UHFFFAOYSA-N 2 2 458.626 2.898 20 0 JFADLP CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001294674964 1062234896 /nfs/dbraw/zinc/23/48/96/1062234896.db2.gz PIRQQSPRURQGJY-UHFFFAOYSA-N 2 2 468.650 2.770 20 0 JFADLP Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001290514017 1062312914 /nfs/dbraw/zinc/31/29/14/1062312914.db2.gz HRHNMTAHZCPACX-UHFFFAOYSA-N 2 2 452.607 2.730 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328927 1062804231 /nfs/dbraw/zinc/80/42/31/1062804231.db2.gz OXPPBAKLGJIDKF-DNQXCXABSA-N 2 2 498.720 2.548 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328929 1062804344 /nfs/dbraw/zinc/80/43/44/1062804344.db2.gz OXPPBAKLGJIDKF-ZEQRLZLVSA-N 2 2 498.720 2.548 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328926 1062804606 /nfs/dbraw/zinc/80/46/06/1062804606.db2.gz OXPPBAKLGJIDKF-BJKOFHAPSA-N 2 2 498.720 2.548 20 0 JFADLP CC(C)C[C@@H](Cn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339378 1062817140 /nfs/dbraw/zinc/81/71/40/1062817140.db2.gz UWJDZSFYOLHHJZ-RTWAWAEBSA-N 2 2 461.699 2.685 20 0 JFADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291000254 1062895488 /nfs/dbraw/zinc/89/54/88/1062895488.db2.gz VCRCLODOULEJQW-FGZHOGPDSA-N 2 2 469.678 2.789 20 0 JFADLP CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)C1 ZINC001287732958 1063054916 /nfs/dbraw/zinc/05/49/16/1063054916.db2.gz ANIPYDBZJNZJMS-FQEVSTJZSA-N 2 2 482.677 2.808 20 0 JFADLP CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)C1 ZINC001287732958 1063054936 /nfs/dbraw/zinc/05/49/36/1063054936.db2.gz ANIPYDBZJNZJMS-FQEVSTJZSA-N 2 2 482.677 2.808 20 0 JFADLP C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291130661 1063176842 /nfs/dbraw/zinc/17/68/42/1063176842.db2.gz NATSVBYJOJYNJD-YPAWHYETSA-N 2 2 462.683 2.697 20 0 JFADLP C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291130661 1063176850 /nfs/dbraw/zinc/17/68/50/1063176850.db2.gz NATSVBYJOJYNJD-YPAWHYETSA-N 2 2 462.683 2.697 20 0 JFADLP C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291135829 1063189031 /nfs/dbraw/zinc/18/90/31/1063189031.db2.gz KSAIJBUNCJSXGQ-SFHVURJKSA-N 2 2 477.451 2.960 20 0 JFADLP C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291135829 1063189043 /nfs/dbraw/zinc/18/90/43/1063189043.db2.gz KSAIJBUNCJSXGQ-SFHVURJKSA-N 2 2 477.451 2.960 20 0 JFADLP C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291143672 1063223055 /nfs/dbraw/zinc/22/30/55/1063223055.db2.gz AIWRRHMZVSULJK-VXKWHMMOSA-N 2 2 494.750 2.859 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295336824 1063261035 /nfs/dbraw/zinc/26/10/35/1063261035.db2.gz XGSZBUIVLYVEIV-XMMPIXPASA-N 2 2 496.704 2.841 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291186396 1063290287 /nfs/dbraw/zinc/29/02/87/1063290287.db2.gz DQYGFWKDFSQTJI-PFDCGNQRSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291186396 1063290311 /nfs/dbraw/zinc/29/03/11/1063290311.db2.gz DQYGFWKDFSQTJI-PFDCGNQRSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291186395 1063290404 /nfs/dbraw/zinc/29/04/04/1063290404.db2.gz DQYGFWKDFSQTJI-KCSJKLDESA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291186395 1063290423 /nfs/dbraw/zinc/29/04/23/1063290423.db2.gz DQYGFWKDFSQTJI-KCSJKLDESA-N 2 2 492.709 2.605 20 0 JFADLP C[N@H+](CC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCC[C@H]1O ZINC001295361091 1063322031 /nfs/dbraw/zinc/32/20/31/1063322031.db2.gz XLPIRTRGMUYMBG-JWQCQUIFSA-N 2 2 451.611 2.782 20 0 JFADLP C[N@@H+](CC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCC[C@H]1O ZINC001295361091 1063322052 /nfs/dbraw/zinc/32/20/52/1063322052.db2.gz XLPIRTRGMUYMBG-JWQCQUIFSA-N 2 2 451.611 2.782 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295368945 1063333725 /nfs/dbraw/zinc/33/37/25/1063333725.db2.gz YSRWEYMGXKVGNO-CTNGQTDRSA-N 2 2 471.650 2.710 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[NH+]1CCOCC1 ZINC001295372102 1063338328 /nfs/dbraw/zinc/33/83/28/1063338328.db2.gz BHFMEMIKVXOCAI-FQEVSTJZSA-N 2 2 453.635 2.936 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373071 1063340325 /nfs/dbraw/zinc/34/03/25/1063340325.db2.gz XSLSVDXCJSNKFM-NHCUHLMSSA-N 2 2 484.693 2.583 20 0 JFADLP CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001295501308 1063535432 /nfs/dbraw/zinc/53/54/32/1063535432.db2.gz XHYZBXSTYKKDJC-NFBKMPQASA-N 2 2 488.702 2.601 20 0 JFADLP CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC001295501308 1063535450 /nfs/dbraw/zinc/53/54/50/1063535450.db2.gz XHYZBXSTYKKDJC-NFBKMPQASA-N 2 2 488.702 2.601 20 0 JFADLP C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291102 1063666524 /nfs/dbraw/zinc/66/65/24/1063666524.db2.gz KFGCGKBIOYZYDQ-BHIFYINESA-N 2 2 478.682 2.566 20 0 JFADLP C[C@@H]1C[N@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291102 1063666535 /nfs/dbraw/zinc/66/65/35/1063666535.db2.gz KFGCGKBIOYZYDQ-BHIFYINESA-N 2 2 478.682 2.566 20 0 JFADLP C[C@@H]1C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291102 1063666541 /nfs/dbraw/zinc/66/65/41/1063666541.db2.gz KFGCGKBIOYZYDQ-BHIFYINESA-N 2 2 478.682 2.566 20 0 JFADLP C[C@@H]1C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291102 1063666542 /nfs/dbraw/zinc/66/65/42/1063666542.db2.gz KFGCGKBIOYZYDQ-BHIFYINESA-N 2 2 478.682 2.566 20 0 JFADLP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(C)C ZINC001295845171 1063866183 /nfs/dbraw/zinc/86/61/83/1063866183.db2.gz JWLAYOZBRBYOJG-OAQYLSRUSA-N 2 2 474.053 2.935 20 0 JFADLP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(C)C ZINC001295845171 1063866203 /nfs/dbraw/zinc/86/62/03/1063866203.db2.gz JWLAYOZBRBYOJG-OAQYLSRUSA-N 2 2 474.053 2.935 20 0 JFADLP CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)C1CC1 ZINC001295858429 1063888240 /nfs/dbraw/zinc/88/82/40/1063888240.db2.gz XTFIQSALLKFGOP-HSZRJFAPSA-N 2 2 475.726 2.582 20 0 JFADLP CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)C1CC1 ZINC001295858429 1063888247 /nfs/dbraw/zinc/88/82/47/1063888247.db2.gz XTFIQSALLKFGOP-HSZRJFAPSA-N 2 2 475.726 2.582 20 0 JFADLP CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)C1CC1 ZINC001295858430 1063888456 /nfs/dbraw/zinc/88/84/56/1063888456.db2.gz XTFIQSALLKFGOP-QHCPKHFHSA-N 2 2 475.726 2.582 20 0 JFADLP CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)C1CC1 ZINC001295858430 1063888469 /nfs/dbraw/zinc/88/84/69/1063888469.db2.gz XTFIQSALLKFGOP-QHCPKHFHSA-N 2 2 475.726 2.582 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)c2)CC1 ZINC001295868314 1063904476 /nfs/dbraw/zinc/90/44/76/1063904476.db2.gz YWDFFRUKENJIKJ-ZEQRLZLVSA-N 2 2 457.018 2.889 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC001295868314 1063904489 /nfs/dbraw/zinc/90/44/89/1063904489.db2.gz YWDFFRUKENJIKJ-ZEQRLZLVSA-N 2 2 457.018 2.889 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001291458468 1064024847 /nfs/dbraw/zinc/02/48/47/1064024847.db2.gz HXAFJFWUZCHVDL-CUDBPUKSSA-N 2 2 472.682 2.765 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001291458468 1064024853 /nfs/dbraw/zinc/02/48/53/1064024853.db2.gz HXAFJFWUZCHVDL-CUDBPUKSSA-N 2 2 472.682 2.765 20 0 JFADLP COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001295992042 1064046673 /nfs/dbraw/zinc/04/66/73/1064046673.db2.gz GEQZXNIUCPMJDO-ACRUOGEOSA-N 2 2 454.656 2.712 20 0 JFADLP COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001295992042 1064046677 /nfs/dbraw/zinc/04/66/77/1064046677.db2.gz GEQZXNIUCPMJDO-ACRUOGEOSA-N 2 2 454.656 2.712 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001291581709 1064112319 /nfs/dbraw/zinc/11/23/19/1064112319.db2.gz FDQWXLXZJUUYRZ-HXUWFJFHSA-N 2 2 466.634 2.672 20 0 JFADLP CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291594441 1064130345 /nfs/dbraw/zinc/13/03/45/1064130345.db2.gz HWYACNKZCVIZDZ-FGZHOGPDSA-N 2 2 497.688 2.848 20 0 JFADLP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296124190 1064216684 /nfs/dbraw/zinc/21/66/84/1064216684.db2.gz GCTRYIVXJWVMGA-FDFHNCONSA-N 2 2 487.668 2.656 20 0 JFADLP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296124190 1064216690 /nfs/dbraw/zinc/21/66/90/1064216690.db2.gz GCTRYIVXJWVMGA-FDFHNCONSA-N 2 2 487.668 2.656 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001296130962 1064224626 /nfs/dbraw/zinc/22/46/26/1064224626.db2.gz GXYQPKXXIQGINZ-NHCUHLMSSA-N 2 2 457.642 2.564 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001296130962 1064224636 /nfs/dbraw/zinc/22/46/36/1064224636.db2.gz GXYQPKXXIQGINZ-NHCUHLMSSA-N 2 2 457.642 2.564 20 0 JFADLP CC[NH+]1CCN([C@@H](C)Cn2c(N3CC[NH+](Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134926 1064237491 /nfs/dbraw/zinc/23/74/91/1064237491.db2.gz SRWWPKFJUKGMNW-IBGZPJMESA-N 2 2 474.723 2.689 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001296149568 1064261254 /nfs/dbraw/zinc/26/12/54/1064261254.db2.gz JYTMCTRVNCFUSC-KRWDZBQOSA-N 2 2 452.559 2.945 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC001296159313 1064273710 /nfs/dbraw/zinc/27/37/10/1064273710.db2.gz ABPSIAYUGCVGTA-FQEVSTJZSA-N 2 2 457.642 2.564 20 0 JFADLP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC001296159313 1064273717 /nfs/dbraw/zinc/27/37/17/1064273717.db2.gz ABPSIAYUGCVGTA-FQEVSTJZSA-N 2 2 457.642 2.564 20 0 JFADLP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC001296159313 1064273727 /nfs/dbraw/zinc/27/37/27/1064273727.db2.gz ABPSIAYUGCVGTA-FQEVSTJZSA-N 2 2 457.642 2.564 20 0 JFADLP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC001296159313 1064273736 /nfs/dbraw/zinc/27/37/36/1064273736.db2.gz ABPSIAYUGCVGTA-FQEVSTJZSA-N 2 2 457.642 2.564 20 0 JFADLP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291955684 1064570397 /nfs/dbraw/zinc/57/03/97/1064570397.db2.gz ZSNKDISJYVDZJS-UNMCSNQZSA-N 2 2 461.699 2.901 20 0 JFADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001292309956 1065078264 /nfs/dbraw/zinc/07/82/64/1065078264.db2.gz ZYBMQLQMMZWREP-MOPGFXCFSA-N 2 2 450.509 2.832 20 0 JFADLP CC(=O)c1cc(Br)ccc1OCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001292416983 1065150245 /nfs/dbraw/zinc/15/02/45/1065150245.db2.gz LYUXPTBLAUCCQF-UHFFFAOYSA-N 2 2 452.393 2.705 20 0 JFADLP CCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293123855 1065776678 /nfs/dbraw/zinc/77/66/78/1065776678.db2.gz MMAHONCQQRBXOG-QHCPKHFHSA-N 2 2 453.679 2.745 20 0 JFADLP CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001293253310 1065917630 /nfs/dbraw/zinc/91/76/30/1065917630.db2.gz LAEAVWKOBTYQKI-GOSISDBHSA-N 2 2 451.409 2.873 20 0 JFADLP CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001293253310 1065917638 /nfs/dbraw/zinc/91/76/38/1065917638.db2.gz LAEAVWKOBTYQKI-GOSISDBHSA-N 2 2 451.409 2.873 20 0 JFADLP COc1c(N)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(Cl)c1Br ZINC001293254646 1065919044 /nfs/dbraw/zinc/91/90/44/1065919044.db2.gz ROEBTXPQKDRAOJ-CYBMUJFWSA-N 2 2 459.816 2.934 20 0 JFADLP COc1c(N)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(Cl)c1Br ZINC001293254646 1065919047 /nfs/dbraw/zinc/91/90/47/1065919047.db2.gz ROEBTXPQKDRAOJ-CYBMUJFWSA-N 2 2 459.816 2.934 20 0 JFADLP CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001293255443 1065919845 /nfs/dbraw/zinc/91/98/45/1065919845.db2.gz UWFVFAXTXVHDCW-LJQANCHMSA-N 2 2 456.978 2.623 20 0 JFADLP CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001293255443 1065919852 /nfs/dbraw/zinc/91/98/52/1065919852.db2.gz UWFVFAXTXVHDCW-LJQANCHMSA-N 2 2 456.978 2.623 20 0 JFADLP COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255470 1065919977 /nfs/dbraw/zinc/91/99/77/1065919977.db2.gz VYRJYCAGWUUTCC-NZSAHSFTSA-N 2 2 458.603 2.539 20 0 JFADLP COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255470 1065919983 /nfs/dbraw/zinc/91/99/83/1065919983.db2.gz VYRJYCAGWUUTCC-NZSAHSFTSA-N 2 2 458.603 2.539 20 0 JFADLP CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1CCOC ZINC001293517019 1066040367 /nfs/dbraw/zinc/04/03/67/1066040367.db2.gz GXQMIZDSCZSIEJ-XMMPIXPASA-N 2 2 470.662 2.829 20 0 JFADLP CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1CCOC ZINC001293517019 1066040377 /nfs/dbraw/zinc/04/03/77/1066040377.db2.gz GXQMIZDSCZSIEJ-XMMPIXPASA-N 2 2 470.662 2.829 20 0 JFADLP COc1cc(N2C[C@H](C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)CC2=O)cc(OC)c1OC ZINC001293589599 1066097011 /nfs/dbraw/zinc/09/70/11/1066097011.db2.gz LALDSGDJDAFWRX-OAHLLOKOSA-N 2 2 451.483 2.593 20 0 JFADLP CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293610717 1066126592 /nfs/dbraw/zinc/12/65/92/1066126592.db2.gz FTCASHQBMGHFBD-QFIPXVFZSA-N 2 2 488.652 2.666 20 0 JFADLP CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293610717 1066126596 /nfs/dbraw/zinc/12/65/96/1066126596.db2.gz FTCASHQBMGHFBD-QFIPXVFZSA-N 2 2 488.652 2.666 20 0 JFADLP CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293610717 1066126602 /nfs/dbraw/zinc/12/66/02/1066126602.db2.gz FTCASHQBMGHFBD-QFIPXVFZSA-N 2 2 488.652 2.666 20 0 JFADLP CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293610717 1066126604 /nfs/dbraw/zinc/12/66/04/1066126604.db2.gz FTCASHQBMGHFBD-QFIPXVFZSA-N 2 2 488.652 2.666 20 0 JFADLP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)CC2)CC1 ZINC001293860659 1066368708 /nfs/dbraw/zinc/36/87/08/1066368708.db2.gz NKRJJXOXATYKNB-UHFFFAOYSA-N 2 2 451.615 2.655 20 0 JFADLP CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC[N@@H+]1CCOC ZINC001294082431 1066551523 /nfs/dbraw/zinc/55/15/23/1066551523.db2.gz REKFVFBIBVNCHH-PZJWPPBQSA-N 2 2 458.607 2.561 20 0 JFADLP CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC[N@H+]1CCOC ZINC001294082431 1066551534 /nfs/dbraw/zinc/55/15/34/1066551534.db2.gz REKFVFBIBVNCHH-PZJWPPBQSA-N 2 2 458.607 2.561 20 0 JFADLP CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC[N@@H+]1CCOC ZINC001294082429 1066551573 /nfs/dbraw/zinc/55/15/73/1066551573.db2.gz REKFVFBIBVNCHH-CTNGQTDRSA-N 2 2 458.607 2.561 20 0 JFADLP CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC[N@H+]1CCOC ZINC001294082429 1066551579 /nfs/dbraw/zinc/55/15/79/1066551579.db2.gz REKFVFBIBVNCHH-CTNGQTDRSA-N 2 2 458.607 2.561 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1C ZINC001164391077 718824625 /nfs/dbraw/zinc/82/46/25/718824625.db2.gz SMSAHWAMWKPART-IRXDYDNUSA-N 2 2 459.616 2.729 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CCc4c(c(COc5cccnc5)nn4CC4CC4)C3)[nH+]2)CC1 ZINC001164656035 719323456 /nfs/dbraw/zinc/32/34/56/719323456.db2.gz UOZFQLIKDOQWPL-UHFFFAOYSA-N 2 2 459.598 2.977 20 0 JFADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164663482 719347481 /nfs/dbraw/zinc/34/74/81/719347481.db2.gz IFPPWVGTDAFEFQ-UHFFFAOYSA-N 2 2 458.614 2.581 20 0 JFADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164663482 719347482 /nfs/dbraw/zinc/34/74/82/719347482.db2.gz IFPPWVGTDAFEFQ-UHFFFAOYSA-N 2 2 458.614 2.581 20 0 JFADLP CN(C)c1nc(N2CCOC[C@@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)C2)cc[nH+]1 ZINC001164664912 719357853 /nfs/dbraw/zinc/35/78/53/719357853.db2.gz SAWSQMFSOOVWPH-AREMUKBSSA-N 3 2 481.645 2.534 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164671659 719443821 /nfs/dbraw/zinc/44/38/21/719443821.db2.gz QOEWDKRKLZNRDB-DLBZAZTESA-N 2 2 459.616 2.682 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164671659 719443824 /nfs/dbraw/zinc/44/38/24/719443824.db2.gz QOEWDKRKLZNRDB-DLBZAZTESA-N 2 2 459.616 2.682 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001164671662 719444401 /nfs/dbraw/zinc/44/44/01/719444401.db2.gz QOEWDKRKLZNRDB-IAGOWNOFSA-N 2 2 459.616 2.682 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001164671662 719444403 /nfs/dbraw/zinc/44/44/03/719444403.db2.gz QOEWDKRKLZNRDB-IAGOWNOFSA-N 2 2 459.616 2.682 20 0 JFADLP CCc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(N2CCOCC2)[nH+]1 ZINC001164672700 719514418 /nfs/dbraw/zinc/51/44/18/719514418.db2.gz MWFDCYIZGBCOML-UHFFFAOYSA-N 2 2 455.578 2.886 20 0 JFADLP CCc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(N2CCOCC2)[nH+]1 ZINC001164672700 719514426 /nfs/dbraw/zinc/51/44/26/719514426.db2.gz MWFDCYIZGBCOML-UHFFFAOYSA-N 2 2 455.578 2.886 20 0 JFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814784 720095018 /nfs/dbraw/zinc/09/50/18/720095018.db2.gz WPPWSJBCLMTLRL-NLFFAJNJSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814784 720095024 /nfs/dbraw/zinc/09/50/24/720095024.db2.gz WPPWSJBCLMTLRL-NLFFAJNJSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164713099 720150080 /nfs/dbraw/zinc/15/00/80/720150080.db2.gz QVOMSVDZLXYISC-NRFANRHFSA-N 2 2 454.644 2.932 20 0 JFADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164713099 720150083 /nfs/dbraw/zinc/15/00/83/720150083.db2.gz QVOMSVDZLXYISC-NRFANRHFSA-N 2 2 454.644 2.932 20 0 JFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)C2 ZINC001164815944 720158112 /nfs/dbraw/zinc/15/81/12/720158112.db2.gz IZKLKEWVGZPRNX-SQJMNOBHSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)C2 ZINC001164815944 720158117 /nfs/dbraw/zinc/15/81/17/720158117.db2.gz IZKLKEWVGZPRNX-SQJMNOBHSA-N 2 2 481.622 2.853 20 0 JFADLP Cc1nc(CN2CC[NH+](C)C3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC3)C2=O)cs1 ZINC001164826943 720380433 /nfs/dbraw/zinc/38/04/33/720380433.db2.gz YXLIKVPZFBGKML-UHFFFAOYSA-N 2 2 454.644 2.754 20 0 JFADLP Cc1nc(CN2CC[NH+](C)C3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)CC3)C2=O)cs1 ZINC001164826943 720380440 /nfs/dbraw/zinc/38/04/40/720380440.db2.gz YXLIKVPZFBGKML-UHFFFAOYSA-N 2 2 454.644 2.754 20 0 JFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C[NH+](C)C5CC5)cn4)CC3)C2=O)cs1 ZINC001164826943 720380450 /nfs/dbraw/zinc/38/04/50/720380450.db2.gz YXLIKVPZFBGKML-UHFFFAOYSA-N 2 2 454.644 2.754 20 0 JFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C[NH+](C)C5CC5)cn4)CC3)C2=O)cs1 ZINC001164826943 720380461 /nfs/dbraw/zinc/38/04/61/720380461.db2.gz YXLIKVPZFBGKML-UHFFFAOYSA-N 2 2 454.644 2.754 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CCOC[C@@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)[nH+]2)CC1 ZINC001164727735 720493600 /nfs/dbraw/zinc/49/36/00/720493600.db2.gz NVCSQJVIZNJHMD-CJFMBICVSA-N 2 2 455.578 2.697 20 0 JFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868629 721059182 /nfs/dbraw/zinc/05/91/82/721059182.db2.gz OVAJASQLBKQOJP-DNQXCXABSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868629 721059186 /nfs/dbraw/zinc/05/91/86/721059186.db2.gz OVAJASQLBKQOJP-DNQXCXABSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868629 721059189 /nfs/dbraw/zinc/05/91/89/721059189.db2.gz OVAJASQLBKQOJP-DNQXCXABSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868629 721059192 /nfs/dbraw/zinc/05/91/92/721059192.db2.gz OVAJASQLBKQOJP-DNQXCXABSA-N 2 2 456.594 2.910 20 0 JFADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915547 721786083 /nfs/dbraw/zinc/78/60/83/721786083.db2.gz LBCGLHYJQUMRER-XMMPIXPASA-N 2 2 458.006 2.834 20 0 JFADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915547 721786085 /nfs/dbraw/zinc/78/60/85/721786085.db2.gz LBCGLHYJQUMRER-XMMPIXPASA-N 2 2 458.006 2.834 20 0 JFADLP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164998152 722232010 /nfs/dbraw/zinc/23/20/10/722232010.db2.gz YTOMSAUZWNHLGV-UHFFFAOYSA-N 2 2 469.637 2.787 20 0 JFADLP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164998152 722232011 /nfs/dbraw/zinc/23/20/11/722232011.db2.gz YTOMSAUZWNHLGV-UHFFFAOYSA-N 2 2 469.637 2.787 20 0 JFADLP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001289932190 1061624467 /nfs/dbraw/zinc/62/44/67/1061624467.db2.gz RSVRNWFFSVZRCO-UHFFFAOYSA-N 2 2 455.651 2.929 20 0 JFADLP C[C@H]1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001294201221 1061707438 /nfs/dbraw/zinc/70/74/38/1061707438.db2.gz IBFBNHZVFKSTMY-DWLFOUALSA-N 2 2 455.603 2.966 20 0 JFADLP C[C@H]1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC001294201221 1061707459 /nfs/dbraw/zinc/70/74/59/1061707459.db2.gz IBFBNHZVFKSTMY-DWLFOUALSA-N 2 2 455.603 2.966 20 0 JFADLP CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001286971306 1061748910 /nfs/dbraw/zinc/74/89/10/1061748910.db2.gz HUEPJGIRKIKWKU-HSZRJFAPSA-N 2 2 496.704 2.516 20 0 JFADLP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001294455712 1062003385 /nfs/dbraw/zinc/00/33/85/1062003385.db2.gz ZFPRLJNDWSNRTH-FQEVSTJZSA-N 2 2 464.618 2.818 20 0 JFADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001294455712 1062003401 /nfs/dbraw/zinc/00/34/01/1062003401.db2.gz ZFPRLJNDWSNRTH-FQEVSTJZSA-N 2 2 464.618 2.818 20 0 JFADLP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001294698210 1062261114 /nfs/dbraw/zinc/26/11/14/1062261114.db2.gz IWZDQIIWWBJFHR-NRFANRHFSA-N 2 2 456.635 2.987 20 0 JFADLP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001294698210 1062261135 /nfs/dbraw/zinc/26/11/35/1062261135.db2.gz IWZDQIIWWBJFHR-NRFANRHFSA-N 2 2 456.635 2.987 20 0 JFADLP CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287374983 1062833124 /nfs/dbraw/zinc/83/31/24/1062833124.db2.gz RMMDJJQQDQUAQZ-UHFFFAOYSA-N 2 2 496.748 2.761 20 0 JFADLP CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287374983 1062833141 /nfs/dbraw/zinc/83/31/41/1062833141.db2.gz RMMDJJQQDQUAQZ-UHFFFAOYSA-N 2 2 496.748 2.761 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290970421 1062844869 /nfs/dbraw/zinc/84/48/69/1062844869.db2.gz QUCNZWQIHCWINA-SFTDATJTSA-N 2 2 459.639 2.767 20 0 JFADLP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001287464518 1062908578 /nfs/dbraw/zinc/90/85/78/1062908578.db2.gz CJIMHUHYKMAXKD-GOTSBHOMSA-N 2 2 473.710 2.732 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295336823 1063261110 /nfs/dbraw/zinc/26/11/10/1063261110.db2.gz XGSZBUIVLYVEIV-DEOSSOPVSA-N 2 2 496.704 2.841 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295338042 1063264932 /nfs/dbraw/zinc/26/49/32/1063264932.db2.gz LJOXGGNDHQVCMM-UHFFFAOYSA-N 2 2 496.704 2.761 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295338042 1063264955 /nfs/dbraw/zinc/26/49/55/1063264955.db2.gz LJOXGGNDHQVCMM-UHFFFAOYSA-N 2 2 496.704 2.761 20 0 JFADLP C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187358 1063295748 /nfs/dbraw/zinc/29/57/48/1063295748.db2.gz SWARHOJBRZRRLR-WOZUAGRISA-N 2 2 462.683 2.979 20 0 JFADLP C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187358 1063295768 /nfs/dbraw/zinc/29/57/68/1063295768.db2.gz SWARHOJBRZRRLR-WOZUAGRISA-N 2 2 462.683 2.979 20 0 JFADLP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001295462648 1063462680 /nfs/dbraw/zinc/46/26/80/1063462680.db2.gz FFMPWIBZNOVPDW-UHFFFAOYSA-N 2 2 464.618 2.961 20 0 JFADLP CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001295480397 1063490431 /nfs/dbraw/zinc/49/04/31/1063490431.db2.gz LYDMHLFUBCZXRH-REWPJTCUSA-N 2 2 471.650 2.822 20 0 JFADLP CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)C ZINC001295821121 1063827413 /nfs/dbraw/zinc/82/74/13/1063827413.db2.gz MOIYNPUEMQNFNS-UHFFFAOYSA-N 2 2 497.673 2.743 20 0 JFADLP CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)C ZINC001295821121 1063827429 /nfs/dbraw/zinc/82/74/29/1063827429.db2.gz MOIYNPUEMQNFNS-UHFFFAOYSA-N 2 2 497.673 2.743 20 0 JFADLP CC[N@H+](CCn1c(C2CCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295846560 1063868989 /nfs/dbraw/zinc/86/89/89/1063868989.db2.gz WKCRQZSCYPGRDI-LJQANCHMSA-N 2 2 499.626 2.953 20 0 JFADLP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295846560 1063869000 /nfs/dbraw/zinc/86/90/00/1063869000.db2.gz WKCRQZSCYPGRDI-LJQANCHMSA-N 2 2 499.626 2.953 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001291457307 1064023485 /nfs/dbraw/zinc/02/34/85/1064023485.db2.gz IWPROCPGDVXSSU-ISKFKSNPSA-N 2 2 470.662 2.851 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291457307 1064023492 /nfs/dbraw/zinc/02/34/92/1064023492.db2.gz IWPROCPGDVXSSU-ISKFKSNPSA-N 2 2 470.662 2.851 20 0 JFADLP CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1c[nH+]ccc1OC ZINC001291470124 1064030267 /nfs/dbraw/zinc/03/02/67/1064030267.db2.gz LTLORUPFHLBZCT-IPJJNNNSSA-N 2 2 469.634 2.622 20 0 JFADLP CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1c[nH+]ccc1OC ZINC001291470124 1064030274 /nfs/dbraw/zinc/03/02/74/1064030274.db2.gz LTLORUPFHLBZCT-IPJJNNNSSA-N 2 2 469.634 2.622 20 0 JFADLP COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001295992045 1064046896 /nfs/dbraw/zinc/04/68/96/1064046896.db2.gz GEQZXNIUCPMJDO-PWRODBHTSA-N 2 2 454.656 2.712 20 0 JFADLP COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001295992045 1064046908 /nfs/dbraw/zinc/04/69/08/1064046908.db2.gz GEQZXNIUCPMJDO-PWRODBHTSA-N 2 2 454.656 2.712 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001295997739 1064054060 /nfs/dbraw/zinc/05/40/60/1064054060.db2.gz RWGCZHBWZTZPIL-FVCZOJIISA-N 2 2 475.588 2.729 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001295997739 1064054071 /nfs/dbraw/zinc/05/40/71/1064054071.db2.gz RWGCZHBWZTZPIL-FVCZOJIISA-N 2 2 475.588 2.729 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296009758 1064066414 /nfs/dbraw/zinc/06/64/14/1064066414.db2.gz MXAZYXZPKWPDPF-FKBYEOEOSA-N 2 2 470.662 2.712 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296009758 1064066422 /nfs/dbraw/zinc/06/64/22/1064066422.db2.gz MXAZYXZPKWPDPF-FKBYEOEOSA-N 2 2 470.662 2.712 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296009758 1064066429 /nfs/dbraw/zinc/06/64/29/1064066429.db2.gz MXAZYXZPKWPDPF-FKBYEOEOSA-N 2 2 470.662 2.712 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296009758 1064066439 /nfs/dbraw/zinc/06/64/39/1064066439.db2.gz MXAZYXZPKWPDPF-FKBYEOEOSA-N 2 2 470.662 2.712 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001296017308 1064079259 /nfs/dbraw/zinc/07/92/59/1064079259.db2.gz XWWIQENSQBOMPE-SFTDATJTSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001296017308 1064079269 /nfs/dbraw/zinc/07/92/69/1064079269.db2.gz XWWIQENSQBOMPE-SFTDATJTSA-N 2 2 486.661 2.895 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001296017308 1064079279 /nfs/dbraw/zinc/07/92/79/1064079279.db2.gz XWWIQENSQBOMPE-SFTDATJTSA-N 2 2 486.661 2.895 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001296017308 1064079291 /nfs/dbraw/zinc/07/92/91/1064079291.db2.gz XWWIQENSQBOMPE-SFTDATJTSA-N 2 2 486.661 2.895 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296134831 1064237205 /nfs/dbraw/zinc/23/72/05/1064237205.db2.gz QZMWDKHIKFKBHZ-ZRBLBEILSA-N 2 2 499.704 2.811 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296134831 1064237212 /nfs/dbraw/zinc/23/72/12/1064237212.db2.gz QZMWDKHIKFKBHZ-ZRBLBEILSA-N 2 2 499.704 2.811 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001291767890 1064249849 /nfs/dbraw/zinc/24/98/49/1064249849.db2.gz OWSAJQKNDUVKPV-LEWJYISDSA-N 2 2 467.662 2.773 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001291767890 1064249854 /nfs/dbraw/zinc/24/98/54/1064249854.db2.gz OWSAJQKNDUVKPV-LEWJYISDSA-N 2 2 467.662 2.773 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296168965 1064292859 /nfs/dbraw/zinc/29/28/59/1064292859.db2.gz ZGNYNKDYTYIZJK-NRFANRHFSA-N 2 2 456.635 2.807 20 0 JFADLP CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296168965 1064292875 /nfs/dbraw/zinc/29/28/75/1064292875.db2.gz ZGNYNKDYTYIZJK-NRFANRHFSA-N 2 2 456.635 2.807 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C3CCCC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292105784 1064800473 /nfs/dbraw/zinc/80/04/73/1064800473.db2.gz ORZJQQTVCSXDJT-UHFFFAOYSA-N 2 2 489.709 2.762 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C3CCCC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292105784 1064800478 /nfs/dbraw/zinc/80/04/78/1064800478.db2.gz ORZJQQTVCSXDJT-UHFFFAOYSA-N 2 2 489.709 2.762 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001292105784 1064800489 /nfs/dbraw/zinc/80/04/89/1064800489.db2.gz ORZJQQTVCSXDJT-UHFFFAOYSA-N 2 2 489.709 2.762 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001292105784 1064800496 /nfs/dbraw/zinc/80/04/96/1064800496.db2.gz ORZJQQTVCSXDJT-UHFFFAOYSA-N 2 2 489.709 2.762 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001292115898 1064835129 /nfs/dbraw/zinc/83/51/29/1064835129.db2.gz NDKHNVLYXJPGAU-OAQYLSRUSA-N 2 2 468.650 2.793 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001292115898 1064835134 /nfs/dbraw/zinc/83/51/34/1064835134.db2.gz NDKHNVLYXJPGAU-OAQYLSRUSA-N 2 2 468.650 2.793 20 0 JFADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463568 1065192828 /nfs/dbraw/zinc/19/28/28/1065192828.db2.gz XJZGXIHGVLFSRH-ZJSXRUAMSA-N 2 2 481.689 2.839 20 0 JFADLP CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001293069175 1065722386 /nfs/dbraw/zinc/72/23/86/1065722386.db2.gz STTMGSHXDYCPGW-UHFFFAOYSA-N 2 2 478.645 2.514 20 0 JFADLP CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001293069175 1065722393 /nfs/dbraw/zinc/72/23/93/1065722393.db2.gz STTMGSHXDYCPGW-UHFFFAOYSA-N 2 2 478.645 2.514 20 0 JFADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293095494 1065745393 /nfs/dbraw/zinc/74/53/93/1065745393.db2.gz RIWSBSOJSPQTPM-JOCHJYFZSA-N 2 2 473.710 2.732 20 0 JFADLP CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293137525 1065787905 /nfs/dbraw/zinc/78/79/05/1065787905.db2.gz PZKQCSFXLYIKOP-DEOSSOPVSA-N 2 2 470.662 2.769 20 0 JFADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001293723390 1066183635 /nfs/dbraw/zinc/18/36/35/1066183635.db2.gz OHPCUJDDQSGVBP-QHCPKHFHSA-N 2 2 454.619 2.900 20 0 JFADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001293723390 1066183638 /nfs/dbraw/zinc/18/36/38/1066183638.db2.gz OHPCUJDDQSGVBP-QHCPKHFHSA-N 2 2 454.619 2.900 20 0 JFADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC001293891605 1066392963 /nfs/dbraw/zinc/39/29/63/1066392963.db2.gz OIZCQXHEEINGNW-UHFFFAOYSA-N 2 2 452.603 2.508 20 0 JFADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC001293891605 1066392978 /nfs/dbraw/zinc/39/29/78/1066392978.db2.gz OIZCQXHEEINGNW-UHFFFAOYSA-N 2 2 452.603 2.508 20 0 JFADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC001293891605 1066392988 /nfs/dbraw/zinc/39/29/88/1066392988.db2.gz OIZCQXHEEINGNW-UHFFFAOYSA-N 2 2 452.603 2.508 20 0 JFADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC001293891605 1066393002 /nfs/dbraw/zinc/39/30/02/1066393002.db2.gz OIZCQXHEEINGNW-UHFFFAOYSA-N 2 2 452.603 2.508 20 0 JFADLP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001294000050 1066501953 /nfs/dbraw/zinc/50/19/53/1066501953.db2.gz RABKFRHICRRHPP-FQEVSTJZSA-N 2 2 454.590 2.609 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1C ZINC001164409897 718864175 /nfs/dbraw/zinc/86/41/75/718864175.db2.gz VGQYHPDZUCNRIP-QZTJIDSGSA-N 2 2 473.643 2.977 20 0 JFADLP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164431951 718968568 /nfs/dbraw/zinc/96/85/68/718968568.db2.gz CVMMIVSAJVMFJY-XZOQPEGZSA-N 2 2 475.515 2.556 20 0 JFADLP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164431951 718968572 /nfs/dbraw/zinc/96/85/72/718968572.db2.gz CVMMIVSAJVMFJY-XZOQPEGZSA-N 2 2 475.515 2.556 20 0 JFADLP CN(C)c1nc(N2CCOC[C@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)C2)cc[nH+]1 ZINC001164664913 719357640 /nfs/dbraw/zinc/35/76/40/719357640.db2.gz SAWSQMFSOOVWPH-SANMLTNESA-N 3 2 481.645 2.534 20 0 JFADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164718627 720124856 /nfs/dbraw/zinc/12/48/56/720124856.db2.gz TZEJHKVJBKYEGY-SFHVURJKSA-N 2 2 450.543 2.647 20 0 JFADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164718627 720124864 /nfs/dbraw/zinc/12/48/64/720124864.db2.gz TZEJHKVJBKYEGY-SFHVURJKSA-N 2 2 450.543 2.647 20 0 JFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)C2 ZINC001164820176 720184104 /nfs/dbraw/zinc/18/41/04/720184104.db2.gz ZSDSTVKTMQTGLF-YIXXDRMTSA-N 2 2 462.642 2.988 20 0 JFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)C2 ZINC001164820176 720184113 /nfs/dbraw/zinc/18/41/13/720184113.db2.gz ZSDSTVKTMQTGLF-YIXXDRMTSA-N 2 2 462.642 2.988 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001164818552 720300378 /nfs/dbraw/zinc/30/03/78/720300378.db2.gz AEVPXHCQIGJXQR-FTJBHMTQSA-N 2 2 474.653 2.946 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001164818552 720300385 /nfs/dbraw/zinc/30/03/85/720300385.db2.gz AEVPXHCQIGJXQR-FTJBHMTQSA-N 2 2 474.653 2.946 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CC1 ZINC001164830204 720346176 /nfs/dbraw/zinc/34/61/76/720346176.db2.gz VNTUTJFXBWIVKY-JWQCQUIFSA-N 2 2 489.668 2.715 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)CC1 ZINC001164830204 720346188 /nfs/dbraw/zinc/34/61/88/720346188.db2.gz VNTUTJFXBWIVKY-JWQCQUIFSA-N 2 2 489.668 2.715 20 0 JFADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164834452 720479631 /nfs/dbraw/zinc/47/96/31/720479631.db2.gz SFOVYCUELQKHOO-LADGPHEKSA-N 2 2 468.646 2.815 20 0 JFADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164834452 720479638 /nfs/dbraw/zinc/47/96/38/720479638.db2.gz SFOVYCUELQKHOO-LADGPHEKSA-N 2 2 468.646 2.815 20 0 JFADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164834451 720480021 /nfs/dbraw/zinc/48/00/21/720480021.db2.gz SFOVYCUELQKHOO-ISKFKSNPSA-N 2 2 468.646 2.815 20 0 JFADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164834451 720480023 /nfs/dbraw/zinc/48/00/23/720480023.db2.gz SFOVYCUELQKHOO-ISKFKSNPSA-N 2 2 468.646 2.815 20 0 JFADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751079 720853240 /nfs/dbraw/zinc/85/32/40/720853240.db2.gz PYZZWOFOBMWQOW-LGPLSSKUSA-N 2 2 499.667 2.774 20 0 JFADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751079 720853242 /nfs/dbraw/zinc/85/32/42/720853242.db2.gz PYZZWOFOBMWQOW-LGPLSSKUSA-N 2 2 499.667 2.774 20 0 JFADLP CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3ccc[nH+]c3)c12 ZINC001164756021 720882705 /nfs/dbraw/zinc/88/27/05/720882705.db2.gz OCNXPTJFVPQAGH-NLFFAJNJSA-N 2 2 496.637 2.512 20 0 JFADLP CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3ccc[nH+]c3)c12 ZINC001164756021 720882707 /nfs/dbraw/zinc/88/27/07/720882707.db2.gz OCNXPTJFVPQAGH-NLFFAJNJSA-N 2 2 496.637 2.512 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164753369 720896518 /nfs/dbraw/zinc/89/65/18/720896518.db2.gz GSGUFSYXERHFTF-LBNVMWSVSA-N 3 2 476.669 2.984 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164753369 720896519 /nfs/dbraw/zinc/89/65/19/720896519.db2.gz GSGUFSYXERHFTF-LBNVMWSVSA-N 3 2 476.669 2.984 20 0 JFADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164860213 720896636 /nfs/dbraw/zinc/89/66/36/720896636.db2.gz UKORVWLDQOMFHN-UHFFFAOYSA-N 2 2 487.942 2.868 20 0 JFADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164756590 720898065 /nfs/dbraw/zinc/89/80/65/720898065.db2.gz QRPGOPVOFRSBQG-YIXXDRMTSA-N 3 2 477.657 2.554 20 0 JFADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164756590 720898066 /nfs/dbraw/zinc/89/80/66/720898066.db2.gz QRPGOPVOFRSBQG-YIXXDRMTSA-N 3 2 477.657 2.554 20 0 JFADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c12 ZINC001164754505 720963705 /nfs/dbraw/zinc/96/37/05/720963705.db2.gz SSHGVJWOGJGPLP-UHFFFAOYSA-N 2 2 473.581 2.939 20 0 JFADLP CC(C)CN1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164756716 720970582 /nfs/dbraw/zinc/97/05/82/720970582.db2.gz JRTJPUCUQZZQIL-YADHBBJMSA-N 2 2 499.681 2.910 20 0 JFADLP CC(C)CN1[C@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164756715 720970780 /nfs/dbraw/zinc/97/07/80/720970780.db2.gz JRTJPUCUQZZQIL-VXKWHMMOSA-N 2 2 499.681 2.910 20 0 JFADLP CC(C)CN1[C@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164756513 720971300 /nfs/dbraw/zinc/97/13/00/720971300.db2.gz JRTJPUCUQZZQIL-FCHUYYIVSA-N 2 2 499.681 2.910 20 0 JFADLP CN(C)C(=O)c1cc2c[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164764904 721135126 /nfs/dbraw/zinc/13/51/26/721135126.db2.gz ILPXPPMRRVBFMX-FPOVZHCZSA-N 2 2 476.629 2.940 20 0 JFADLP CN(C)C(=O)c1cc2c[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164764904 721135136 /nfs/dbraw/zinc/13/51/36/721135136.db2.gz ILPXPPMRRVBFMX-FPOVZHCZSA-N 2 2 476.629 2.940 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762090 721162614 /nfs/dbraw/zinc/16/26/14/721162614.db2.gz BWNRKNPDBSGASU-CLJLJLNGSA-N 2 2 499.663 2.731 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762090 721162623 /nfs/dbraw/zinc/16/26/23/721162623.db2.gz BWNRKNPDBSGASU-CLJLJLNGSA-N 2 2 499.663 2.731 20 0 JFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164776472 721340203 /nfs/dbraw/zinc/34/02/03/721340203.db2.gz BYMUDMSNDDHRRM-DEOSSOPVSA-N 2 2 468.558 2.858 20 0 JFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164776472 721340206 /nfs/dbraw/zinc/34/02/06/721340206.db2.gz BYMUDMSNDDHRRM-DEOSSOPVSA-N 2 2 468.558 2.858 20 0 JFADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1C ZINC001164798290 721518477 /nfs/dbraw/zinc/51/84/77/721518477.db2.gz RWVYZRRYPAZXDO-UHFFFAOYSA-N 2 2 480.686 2.868 20 0 JFADLP CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164902245 721578425 /nfs/dbraw/zinc/57/84/25/721578425.db2.gz DQNZXLIZDGLJBW-QFIPXVFZSA-N 2 2 454.619 2.597 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908136 721715190 /nfs/dbraw/zinc/71/51/90/721715190.db2.gz VYRYHCINGVXTRI-DEOSSOPVSA-N 2 2 486.567 2.999 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908136 721715204 /nfs/dbraw/zinc/71/52/04/721715204.db2.gz VYRYHCINGVXTRI-DEOSSOPVSA-N 2 2 486.567 2.999 20 0 JFADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164959991 722059233 /nfs/dbraw/zinc/05/92/33/722059233.db2.gz BQJXNXGRJDLFIJ-UHFFFAOYSA-N 2 2 478.645 2.586 20 0 JFADLP c1cc(C[N@H+]2CCOCC3(CCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164959991 722059237 /nfs/dbraw/zinc/05/92/37/722059237.db2.gz BQJXNXGRJDLFIJ-UHFFFAOYSA-N 2 2 478.645 2.586 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC001286891424 1061360022 /nfs/dbraw/zinc/36/00/22/1061360022.db2.gz XFGABRYYHSTOOM-IBGZPJMESA-N 2 2 459.664 2.510 20 0 JFADLP Cc1[nH+]ccn1CCn1c(COc2ccc(C)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001289786368 1061412171 /nfs/dbraw/zinc/41/21/71/1061412171.db2.gz HEHLAKISGVYIQI-OYRHEFFESA-N 2 2 467.618 2.916 20 0 JFADLP Cc1[nH+]ccn1CCn1c(COc2ccc(C)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001289786368 1061412174 /nfs/dbraw/zinc/41/21/74/1061412174.db2.gz HEHLAKISGVYIQI-OYRHEFFESA-N 2 2 467.618 2.916 20 0 JFADLP Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001289787829 1061414628 /nfs/dbraw/zinc/41/46/28/1061414628.db2.gz QXODWHHEEPXBHH-RUZDIDTESA-N 2 2 488.702 2.680 20 0 JFADLP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC001294105540 1061586954 /nfs/dbraw/zinc/58/69/54/1061586954.db2.gz YQZXOQRLMUDHHD-LEWJYISDSA-N 2 2 457.623 2.576 20 0 JFADLP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC001294105540 1061586971 /nfs/dbraw/zinc/58/69/71/1061586971.db2.gz YQZXOQRLMUDHHD-LEWJYISDSA-N 2 2 457.623 2.576 20 0 JFADLP C[C@@H]1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001294201222 1061707561 /nfs/dbraw/zinc/70/75/61/1061707561.db2.gz IBFBNHZVFKSTMY-UZKOGDIHSA-N 2 2 455.603 2.966 20 0 JFADLP C[C@@H]1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC001294201222 1061707578 /nfs/dbraw/zinc/70/75/78/1061707578.db2.gz IBFBNHZVFKSTMY-UZKOGDIHSA-N 2 2 455.603 2.966 20 0 JFADLP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001290133769 1061868285 /nfs/dbraw/zinc/86/82/85/1061868285.db2.gz VBBBTTPLHWRTQW-JOCHJYFZSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001290563298 1062365386 /nfs/dbraw/zinc/36/53/86/1062365386.db2.gz MABJHJSBHAMWPF-SFTDATJTSA-N 2 2 486.709 2.648 20 0 JFADLP CC(C)[C@@H](Cn1c(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163263 1062568639 /nfs/dbraw/zinc/56/86/39/1062568639.db2.gz CIUOFVZOKXJFMZ-DNQXCXABSA-N 2 2 489.753 2.927 20 0 JFADLP CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001287216924 1062695156 /nfs/dbraw/zinc/69/51/56/1062695156.db2.gz WHECZYKHHLCHCR-OAQYLSRUSA-N 2 2 459.683 2.656 20 0 JFADLP CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001287223642 1062711086 /nfs/dbraw/zinc/71/10/86/1062711086.db2.gz OTOGLHAFFPXQQG-VXKWHMMOSA-N 2 2 473.666 2.529 20 0 JFADLP CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001287223642 1062711108 /nfs/dbraw/zinc/71/11/08/1062711108.db2.gz OTOGLHAFFPXQQG-VXKWHMMOSA-N 2 2 473.666 2.529 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287328724 1062803788 /nfs/dbraw/zinc/80/37/88/1062803788.db2.gz LEZFTWGQHOHMBK-PKTZIBPZSA-N 2 2 498.720 2.783 20 0 JFADLP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001287464521 1062909007 /nfs/dbraw/zinc/90/90/07/1062909007.db2.gz CJIMHUHYKMAXKD-PKTZIBPZSA-N 2 2 473.710 2.732 20 0 JFADLP C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291107686 1063097347 /nfs/dbraw/zinc/09/73/47/1063097347.db2.gz LQEZGSOZQJEDEL-LEWJYISDSA-N 2 2 458.626 2.897 20 0 JFADLP C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291107686 1063097366 /nfs/dbraw/zinc/09/73/66/1063097366.db2.gz LQEZGSOZQJEDEL-LEWJYISDSA-N 2 2 458.626 2.897 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001295337796 1063264284 /nfs/dbraw/zinc/26/42/84/1063264284.db2.gz IFMYZPHTYSGISE-UHFFFAOYSA-N 2 2 496.704 2.903 20 0 JFADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C[NH+](C)C ZINC001295750175 1063757023 /nfs/dbraw/zinc/75/70/23/1063757023.db2.gz UJGTZKCSMNSGOJ-OAQYLSRUSA-N 2 2 482.677 2.955 20 0 JFADLP CC[N@H+](CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC001295844908 1063864687 /nfs/dbraw/zinc/86/46/87/1063864687.db2.gz GSXDVRDFBZYONP-HSZRJFAPSA-N 2 2 461.699 2.507 20 0 JFADLP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC001295844908 1063864701 /nfs/dbraw/zinc/86/47/01/1063864701.db2.gz GSXDVRDFBZYONP-HSZRJFAPSA-N 2 2 461.699 2.507 20 0 JFADLP COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001295992043 1064046750 /nfs/dbraw/zinc/04/67/50/1064046750.db2.gz GEQZXNIUCPMJDO-HBMCJLEFSA-N 2 2 454.656 2.712 20 0 JFADLP COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001295992043 1064046762 /nfs/dbraw/zinc/04/67/62/1064046762.db2.gz GEQZXNIUCPMJDO-HBMCJLEFSA-N 2 2 454.656 2.712 20 0 JFADLP CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)CC1 ZINC001296018076 1064080195 /nfs/dbraw/zinc/08/01/95/1064080195.db2.gz MNFVVMVLIKINSE-UHFFFAOYSA-N 2 2 468.650 2.562 20 0 JFADLP CC[NH+]1CCC(CCn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001296031311 1064089491 /nfs/dbraw/zinc/08/94/91/1064089491.db2.gz UIPWOFLFSMUTAW-DEOSSOPVSA-N 2 2 489.753 2.929 20 0 JFADLP CC[C@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291572788 1064099078 /nfs/dbraw/zinc/09/90/78/1064099078.db2.gz PBJHDEQKHOYFST-SGNDLWITSA-N 2 2 475.726 2.614 20 0 JFADLP CC[C@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001291572788 1064099080 /nfs/dbraw/zinc/09/90/80/1064099080.db2.gz PBJHDEQKHOYFST-SGNDLWITSA-N 2 2 475.726 2.614 20 0 JFADLP CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296062637 1064128151 /nfs/dbraw/zinc/12/81/51/1064128151.db2.gz TYAFTVKRJFILLH-PZJWPPBQSA-N 2 2 460.598 2.810 20 0 JFADLP CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296062637 1064128163 /nfs/dbraw/zinc/12/81/63/1064128163.db2.gz TYAFTVKRJFILLH-PZJWPPBQSA-N 2 2 460.598 2.810 20 0 JFADLP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296124193 1064216628 /nfs/dbraw/zinc/21/66/28/1064216628.db2.gz GCTRYIVXJWVMGA-VSKRKVRLSA-N 2 2 487.668 2.656 20 0 JFADLP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296124193 1064216632 /nfs/dbraw/zinc/21/66/32/1064216632.db2.gz GCTRYIVXJWVMGA-VSKRKVRLSA-N 2 2 487.668 2.656 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(N3CC[NH+](CCc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134337 1064235297 /nfs/dbraw/zinc/23/52/97/1064235297.db2.gz NMFCRZJRTYDLEM-HSZRJFAPSA-N 2 2 467.706 2.966 20 0 JFADLP CCN1CC[NH+]([C@@H](C)Cn2c(N3CC[NH+](CCc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134338 1064235309 /nfs/dbraw/zinc/23/53/09/1064235309.db2.gz NMFCRZJRTYDLEM-QHCPKHFHSA-N 2 2 467.706 2.966 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291765331 1064245643 /nfs/dbraw/zinc/24/56/43/1064245643.db2.gz LAPLMFHGBUMHOD-VXKWHMMOSA-N 2 2 497.688 2.817 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291765331 1064245649 /nfs/dbraw/zinc/24/56/49/1064245649.db2.gz LAPLMFHGBUMHOD-VXKWHMMOSA-N 2 2 497.688 2.817 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C)C(C)(C)C2)C[C@H]1C ZINC001296159315 1064273562 /nfs/dbraw/zinc/27/35/62/1064273562.db2.gz ABPSIAYUGCVGTA-HXUWFJFHSA-N 2 2 457.642 2.564 20 0 JFADLP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C)C(C)(C)C2)C[C@H]1C ZINC001296159315 1064273572 /nfs/dbraw/zinc/27/35/72/1064273572.db2.gz ABPSIAYUGCVGTA-HXUWFJFHSA-N 2 2 457.642 2.564 20 0 JFADLP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H]1C ZINC001296159315 1064273580 /nfs/dbraw/zinc/27/35/80/1064273580.db2.gz ABPSIAYUGCVGTA-HXUWFJFHSA-N 2 2 457.642 2.564 20 0 JFADLP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H]1C ZINC001296159315 1064273592 /nfs/dbraw/zinc/27/35/92/1064273592.db2.gz ABPSIAYUGCVGTA-HXUWFJFHSA-N 2 2 457.642 2.564 20 0 JFADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296175537 1064304524 /nfs/dbraw/zinc/30/45/24/1064304524.db2.gz XCNBQIUEHLYLTM-HBMCJLEFSA-N 2 2 491.681 2.601 20 0 JFADLP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296175537 1064304538 /nfs/dbraw/zinc/30/45/38/1064304538.db2.gz XCNBQIUEHLYLTM-HBMCJLEFSA-N 2 2 491.681 2.601 20 0 JFADLP CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296175537 1064304552 /nfs/dbraw/zinc/30/45/52/1064304552.db2.gz XCNBQIUEHLYLTM-HBMCJLEFSA-N 2 2 491.681 2.601 20 0 JFADLP CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296175537 1064304565 /nfs/dbraw/zinc/30/45/65/1064304565.db2.gz XCNBQIUEHLYLTM-HBMCJLEFSA-N 2 2 491.681 2.601 20 0 JFADLP CCN1CC[NH+](CCCn2c(-c3ccccc3C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001296207355 1064397933 /nfs/dbraw/zinc/39/79/33/1064397933.db2.gz YALPIEWVRHYIBZ-UHFFFAOYSA-N 2 2 483.705 2.828 20 0 JFADLP CCN1CC[NH+](CCCn2c(-c3ccccc3C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001296207355 1064397943 /nfs/dbraw/zinc/39/79/43/1064397943.db2.gz YALPIEWVRHYIBZ-UHFFFAOYSA-N 2 2 483.705 2.828 20 0 JFADLP CC[NH+]1CCN(CCCn2c(-c3ccccc3C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001296207355 1064397954 /nfs/dbraw/zinc/39/79/54/1064397954.db2.gz YALPIEWVRHYIBZ-UHFFFAOYSA-N 2 2 483.705 2.828 20 0 JFADLP CC[NH+]1CCN(CCCn2c(-c3ccccc3C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001296207355 1064397961 /nfs/dbraw/zinc/39/79/61/1064397961.db2.gz YALPIEWVRHYIBZ-UHFFFAOYSA-N 2 2 483.705 2.828 20 0 JFADLP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001296281134 1064552267 /nfs/dbraw/zinc/55/22/67/1064552267.db2.gz STFJJWBYSGUUML-CJFMBICVSA-N 2 2 454.590 2.609 20 0 JFADLP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001296281134 1064552281 /nfs/dbraw/zinc/55/22/81/1064552281.db2.gz STFJJWBYSGUUML-CJFMBICVSA-N 2 2 454.590 2.609 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292090494 1064775209 /nfs/dbraw/zinc/77/52/09/1064775209.db2.gz PEPXAXSBUNBUHT-OAQYLSRUSA-N 2 2 468.650 2.770 20 0 JFADLP Cc1ccc(C)c(OCCCCC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001292912477 1065603536 /nfs/dbraw/zinc/60/35/36/1065603536.db2.gz MBOLMYVHEZTKJS-UHFFFAOYSA-N 2 2 458.647 2.549 20 0 JFADLP CN(C(=O)CCSc1ccccc1Cl)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292913193 1065604350 /nfs/dbraw/zinc/60/43/50/1065604350.db2.gz WVBMOLISIYQVIV-UHFFFAOYSA-N 2 2 453.052 2.519 20 0 JFADLP COc1cc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1OCC[NH+](C)C ZINC001292942319 1065627727 /nfs/dbraw/zinc/62/77/27/1065627727.db2.gz QCNHGKGBSHPWKR-LJQANCHMSA-N 2 2 458.578 2.602 20 0 JFADLP CCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001293135198 1065785959 /nfs/dbraw/zinc/78/59/59/1065785959.db2.gz AXKJWTOVSUQNED-FQEVSTJZSA-N 2 2 477.053 2.663 20 0 JFADLP COc1c(N)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(Cl)c1Br ZINC001293254647 1065919001 /nfs/dbraw/zinc/91/90/01/1065919001.db2.gz ROEBTXPQKDRAOJ-ZDUSSCGKSA-N 2 2 459.816 2.934 20 0 JFADLP COc1c(N)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(Cl)c1Br ZINC001293254647 1065919005 /nfs/dbraw/zinc/91/90/05/1065919005.db2.gz ROEBTXPQKDRAOJ-ZDUSSCGKSA-N 2 2 459.816 2.934 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC001294073091 1066542077 /nfs/dbraw/zinc/54/20/77/1066542077.db2.gz JQWOJRDOPQOUHY-OAQYLSRUSA-N 2 2 464.618 2.787 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC001294073091 1066542083 /nfs/dbraw/zinc/54/20/83/1066542083.db2.gz JQWOJRDOPQOUHY-OAQYLSRUSA-N 2 2 464.618 2.787 20 0 JFADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)n1 ZINC001164654820 719327427 /nfs/dbraw/zinc/32/74/27/719327427.db2.gz MZOJNJCCDUPSGJ-UHFFFAOYSA-N 2 2 478.644 2.750 20 0 JFADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708586 719934250 /nfs/dbraw/zinc/93/42/50/719934250.db2.gz LXPPJQKUZPRGOC-JOCHJYFZSA-N 2 2 465.646 2.702 20 0 JFADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708586 719934265 /nfs/dbraw/zinc/93/42/65/719934265.db2.gz LXPPJQKUZPRGOC-JOCHJYFZSA-N 2 2 465.646 2.702 20 0 JFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814782 720095623 /nfs/dbraw/zinc/09/56/23/720095623.db2.gz WPPWSJBCLMTLRL-CPJSRVTESA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814782 720095628 /nfs/dbraw/zinc/09/56/28/720095628.db2.gz WPPWSJBCLMTLRL-CPJSRVTESA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)CC2 ZINC001164713611 720130144 /nfs/dbraw/zinc/13/01/44/720130144.db2.gz SURSRHOSNUOVLX-HSZRJFAPSA-N 2 2 494.640 2.769 20 0 JFADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)CC2 ZINC001164713611 720130150 /nfs/dbraw/zinc/13/01/50/720130150.db2.gz SURSRHOSNUOVLX-HSZRJFAPSA-N 2 2 494.640 2.769 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CC1 ZINC001164830201 720346317 /nfs/dbraw/zinc/34/63/17/720346317.db2.gz VNTUTJFXBWIVKY-DQEYMECFSA-N 2 2 489.668 2.715 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)CC1 ZINC001164830201 720346324 /nfs/dbraw/zinc/34/63/24/720346324.db2.gz VNTUTJFXBWIVKY-DQEYMECFSA-N 2 2 489.668 2.715 20 0 JFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC3)C2=O)cs1 ZINC001164824796 720365098 /nfs/dbraw/zinc/36/50/98/720365098.db2.gz LPEIHCPTVSUUKY-UHFFFAOYSA-N 2 2 490.077 2.675 20 0 JFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC3)C2=O)cs1 ZINC001164824796 720365104 /nfs/dbraw/zinc/36/51/04/720365104.db2.gz LPEIHCPTVSUUKY-UHFFFAOYSA-N 2 2 490.077 2.675 20 0 JFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2=O)cs1 ZINC001164820737 720379429 /nfs/dbraw/zinc/37/94/29/720379429.db2.gz SCWLLIJQTUYXKY-UHFFFAOYSA-N 2 2 454.644 2.756 20 0 JFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2=O)cs1 ZINC001164820737 720379436 /nfs/dbraw/zinc/37/94/36/720379436.db2.gz SCWLLIJQTUYXKY-UHFFFAOYSA-N 2 2 454.644 2.756 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CCOC[C@@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)[nH+]2)CC1 ZINC001164727746 720493930 /nfs/dbraw/zinc/49/39/30/720493930.db2.gz NVCSQJVIZNJHMD-NBGIEHNGSA-N 2 2 455.578 2.697 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164753373 720896403 /nfs/dbraw/zinc/89/64/03/720896403.db2.gz GSGUFSYXERHFTF-LSYYVWMOSA-N 3 2 476.669 2.984 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164753373 720896405 /nfs/dbraw/zinc/89/64/05/720896405.db2.gz GSGUFSYXERHFTF-LSYYVWMOSA-N 3 2 476.669 2.984 20 0 JFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868628 721058456 /nfs/dbraw/zinc/05/84/56/721058456.db2.gz OVAJASQLBKQOJP-BJKOFHAPSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868628 721058463 /nfs/dbraw/zinc/05/84/63/721058463.db2.gz OVAJASQLBKQOJP-BJKOFHAPSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868628 721058471 /nfs/dbraw/zinc/05/84/71/721058471.db2.gz OVAJASQLBKQOJP-BJKOFHAPSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868628 721058477 /nfs/dbraw/zinc/05/84/77/721058477.db2.gz OVAJASQLBKQOJP-BJKOFHAPSA-N 2 2 456.594 2.910 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164774132 721134738 /nfs/dbraw/zinc/13/47/38/721134738.db2.gz ZURVDPAGWBHRLT-RTBURBONSA-N 2 2 451.575 2.670 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164774132 721134742 /nfs/dbraw/zinc/13/47/42/721134742.db2.gz ZURVDPAGWBHRLT-RTBURBONSA-N 2 2 451.575 2.670 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762092 721162044 /nfs/dbraw/zinc/16/20/44/721162044.db2.gz BWNRKNPDBSGASU-IZZNHLLZSA-N 2 2 499.663 2.731 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762092 721162050 /nfs/dbraw/zinc/16/20/50/721162050.db2.gz BWNRKNPDBSGASU-IZZNHLLZSA-N 2 2 499.663 2.731 20 0 JFADLP CCc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(N2CCOCC2)[nH+]1 ZINC001164780639 721358456 /nfs/dbraw/zinc/35/84/56/721358456.db2.gz GCQWDYILIIHLGR-RUZDIDTESA-N 2 2 470.618 2.599 20 0 JFADLP CCc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(N2CCOCC2)[nH+]1 ZINC001164780639 721358458 /nfs/dbraw/zinc/35/84/58/721358458.db2.gz GCQWDYILIIHLGR-RUZDIDTESA-N 2 2 470.618 2.599 20 0 JFADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164789504 721466986 /nfs/dbraw/zinc/46/69/86/721466986.db2.gz NGDFEJQKORTVGK-QHCPKHFHSA-N 2 2 499.704 2.806 20 0 JFADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164789504 721466988 /nfs/dbraw/zinc/46/69/88/721466988.db2.gz NGDFEJQKORTVGK-QHCPKHFHSA-N 2 2 499.704 2.806 20 0 JFADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164789504 721466989 /nfs/dbraw/zinc/46/69/89/721466989.db2.gz NGDFEJQKORTVGK-QHCPKHFHSA-N 2 2 499.704 2.806 20 0 JFADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164789504 721466990 /nfs/dbraw/zinc/46/69/90/721466990.db2.gz NGDFEJQKORTVGK-QHCPKHFHSA-N 2 2 499.704 2.806 20 0 JFADLP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001290133242 1061866608 /nfs/dbraw/zinc/86/66/08/1061866608.db2.gz NXSJKMFOTKNQKC-JOCHJYFZSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001290133242 1061866626 /nfs/dbraw/zinc/86/66/26/1061866626.db2.gz NXSJKMFOTKNQKC-JOCHJYFZSA-N 2 2 456.635 2.521 20 0 JFADLP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)CC1 ZINC001294638175 1062153059 /nfs/dbraw/zinc/15/30/59/1062153059.db2.gz OLHLMYMUUZLUAF-XMMPIXPASA-N 2 2 475.726 2.755 20 0 JFADLP Cc1cc(C)n(Cc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001290631716 1062506778 /nfs/dbraw/zinc/50/67/78/1062506778.db2.gz MZLHSORDRMARTL-UHFFFAOYSA-N 2 2 465.650 2.751 20 0 JFADLP CC(C)[C@H](Cn1c(C2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159219 1062555765 /nfs/dbraw/zinc/55/57/65/1062555765.db2.gz KRXRCGXWNVWNPQ-QFIPXVFZSA-N 2 2 462.683 2.840 20 0 JFADLP CC(C)[C@H](Cn1c(C2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159219 1062555783 /nfs/dbraw/zinc/55/57/83/1062555783.db2.gz KRXRCGXWNVWNPQ-QFIPXVFZSA-N 2 2 462.683 2.840 20 0 JFADLP Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001290714094 1062646584 /nfs/dbraw/zinc/64/65/84/1062646584.db2.gz UJORZGVYBWTVAW-RTWAWAEBSA-N 2 2 462.664 2.515 20 0 JFADLP CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287413833 1062853061 /nfs/dbraw/zinc/85/30/61/1062853061.db2.gz OVKXDPMJRQAFAV-VSKRKVRLSA-N 2 2 462.683 2.523 20 0 JFADLP CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287413833 1062853091 /nfs/dbraw/zinc/85/30/91/1062853091.db2.gz OVKXDPMJRQAFAV-VSKRKVRLSA-N 2 2 462.683 2.523 20 0 JFADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291000256 1062895128 /nfs/dbraw/zinc/89/51/28/1062895128.db2.gz VCRCLODOULEJQW-VXKWHMMOSA-N 2 2 469.678 2.789 20 0 JFADLP CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCOC1 ZINC001291068770 1063016895 /nfs/dbraw/zinc/01/68/95/1063016895.db2.gz RXPQGRRQRGDKPV-DNRSQYFGSA-N 2 2 492.709 2.598 20 0 JFADLP CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)C(C)C ZINC001291095476 1063054961 /nfs/dbraw/zinc/05/49/61/1063054961.db2.gz MFQZEUKLWHVUGO-HSZRJFAPSA-N 2 2 496.704 2.982 20 0 JFADLP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001291103005 1063078813 /nfs/dbraw/zinc/07/88/13/1063078813.db2.gz WTIDFDHMDDPUMW-WOJBJXKFSA-N 2 2 480.723 2.611 20 0 JFADLP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001291103005 1063078833 /nfs/dbraw/zinc/07/88/33/1063078833.db2.gz WTIDFDHMDDPUMW-WOJBJXKFSA-N 2 2 480.723 2.611 20 0 JFADLP CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141907 1063217461 /nfs/dbraw/zinc/21/74/61/1063217461.db2.gz VDRMMVUHOJPEAR-YADHBBJMSA-N 2 2 459.683 2.655 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295336358 1063258075 /nfs/dbraw/zinc/25/80/75/1063258075.db2.gz PIKUGLLMMQQNMQ-OAQYLSRUSA-N 2 2 484.693 2.774 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295336358 1063258095 /nfs/dbraw/zinc/25/80/95/1063258095.db2.gz PIKUGLLMMQQNMQ-OAQYLSRUSA-N 2 2 484.693 2.774 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295368947 1063333638 /nfs/dbraw/zinc/33/36/38/1063333638.db2.gz YSRWEYMGXKVGNO-PZJWPPBQSA-N 2 2 471.650 2.710 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001295372597 1063339530 /nfs/dbraw/zinc/33/95/30/1063339530.db2.gz GCKWDGMXWZZUNJ-LJQANCHMSA-N 2 2 484.624 2.879 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373070 1063339966 /nfs/dbraw/zinc/33/99/66/1063339966.db2.gz XSLSVDXCJSNKFM-LEWJYISDSA-N 2 2 484.693 2.583 20 0 JFADLP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001295463640 1063463930 /nfs/dbraw/zinc/46/39/30/1063463930.db2.gz NXRINANRFIUBDI-DEOSSOPVSA-N 2 2 497.688 2.628 20 0 JFADLP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001295463640 1063463945 /nfs/dbraw/zinc/46/39/45/1063463945.db2.gz NXRINANRFIUBDI-DEOSSOPVSA-N 2 2 497.688 2.628 20 0 JFADLP CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001295542656 1063577049 /nfs/dbraw/zinc/57/70/49/1063577049.db2.gz TZECEKQYFIAAGW-UHFFFAOYSA-N 2 2 468.654 2.602 20 0 JFADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)[NH+](C)C ZINC001295748557 1063753966 /nfs/dbraw/zinc/75/39/66/1063753966.db2.gz MEOLNAMKTPANAU-LJQANCHMSA-N 2 2 451.623 2.767 20 0 JFADLP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001291458470 1064024887 /nfs/dbraw/zinc/02/48/87/1064024887.db2.gz HXAFJFWUZCHVDL-VVSUKSJXSA-N 2 2 472.682 2.765 20 0 JFADLP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001291458470 1064024898 /nfs/dbraw/zinc/02/48/98/1064024898.db2.gz HXAFJFWUZCHVDL-VVSUKSJXSA-N 2 2 472.682 2.765 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001295997744 1064054114 /nfs/dbraw/zinc/05/41/14/1064054114.db2.gz RWGCZHBWZTZPIL-LPWQTFTOSA-N 2 2 475.588 2.729 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001295997744 1064054123 /nfs/dbraw/zinc/05/41/23/1064054123.db2.gz RWGCZHBWZTZPIL-LPWQTFTOSA-N 2 2 475.588 2.729 20 0 JFADLP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001291581708 1064112057 /nfs/dbraw/zinc/11/20/57/1064112057.db2.gz FDQWXLXZJUUYRZ-FQEVSTJZSA-N 2 2 466.634 2.672 20 0 JFADLP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291620302 1064158767 /nfs/dbraw/zinc/15/87/67/1064158767.db2.gz INSQYUOXCKAABL-FCHUYYIVSA-N 2 2 461.699 2.507 20 0 JFADLP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291620302 1064158770 /nfs/dbraw/zinc/15/87/70/1064158770.db2.gz INSQYUOXCKAABL-FCHUYYIVSA-N 2 2 461.699 2.507 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296134828 1064237156 /nfs/dbraw/zinc/23/71/56/1064237156.db2.gz QZMWDKHIKFKBHZ-DNVJHFABSA-N 2 2 499.704 2.811 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296134828 1064237161 /nfs/dbraw/zinc/23/71/61/1064237161.db2.gz QZMWDKHIKFKBHZ-DNVJHFABSA-N 2 2 499.704 2.811 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291771364 1064253500 /nfs/dbraw/zinc/25/35/00/1064253500.db2.gz DJNASLHEVHCZAO-FCHUYYIVSA-N 2 2 482.677 2.512 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291771364 1064253507 /nfs/dbraw/zinc/25/35/07/1064253507.db2.gz DJNASLHEVHCZAO-FCHUYYIVSA-N 2 2 482.677 2.512 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291774049 1064260695 /nfs/dbraw/zinc/26/06/95/1064260695.db2.gz KTZMIQFRAPDRLS-UPVQGACJSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291774049 1064260700 /nfs/dbraw/zinc/26/07/00/1064260700.db2.gz KTZMIQFRAPDRLS-UPVQGACJSA-N 2 2 475.726 2.897 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001296165395 1064283966 /nfs/dbraw/zinc/28/39/66/1064283966.db2.gz ISALREGYPKPTAE-FXAWDEMLSA-N 2 2 475.588 2.512 20 0 JFADLP CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001296165395 1064283979 /nfs/dbraw/zinc/28/39/79/1064283979.db2.gz ISALREGYPKPTAE-FXAWDEMLSA-N 2 2 475.588 2.512 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001296173370 1064296047 /nfs/dbraw/zinc/29/60/47/1064296047.db2.gz IAOSLIBTQHUXSD-SFHVURJKSA-N 2 2 452.559 2.848 20 0 JFADLP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001296173370 1064296061 /nfs/dbraw/zinc/29/60/61/1064296061.db2.gz IAOSLIBTQHUXSD-SFHVURJKSA-N 2 2 452.559 2.848 20 0 JFADLP CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291964001 1064578228 /nfs/dbraw/zinc/57/82/28/1064578228.db2.gz LRVMQPLKURACDA-XMMPIXPASA-N 2 2 496.704 2.759 20 0 JFADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CC2)CC1 ZINC001292649673 1065386991 /nfs/dbraw/zinc/38/69/91/1065386991.db2.gz CRIURHGBKFBINL-HXUWFJFHSA-N 3 2 459.654 2.951 20 0 JFADLP CCc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293068085 1065719446 /nfs/dbraw/zinc/71/94/46/1065719446.db2.gz BWNBNTHUKYYXKA-UHFFFAOYSA-N 2 2 457.642 2.718 20 0 JFADLP CCc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293068085 1065719459 /nfs/dbraw/zinc/71/94/59/1065719459.db2.gz BWNBNTHUKYYXKA-UHFFFAOYSA-N 2 2 457.642 2.718 20 0 JFADLP CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001293068085 1065719470 /nfs/dbraw/zinc/71/94/70/1065719470.db2.gz BWNBNTHUKYYXKA-UHFFFAOYSA-N 2 2 457.642 2.718 20 0 JFADLP CCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001293068085 1065719486 /nfs/dbraw/zinc/71/94/86/1065719486.db2.gz BWNBNTHUKYYXKA-UHFFFAOYSA-N 2 2 457.642 2.718 20 0 JFADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001293092935 1065740756 /nfs/dbraw/zinc/74/07/56/1065740756.db2.gz DIUUHLWFHJOMOJ-QFIPXVFZSA-N 2 2 459.683 2.630 20 0 JFADLP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293361402 1065965378 /nfs/dbraw/zinc/96/53/78/1065965378.db2.gz AGIGBFAVMXKWRB-RPWUZVMVSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293361402 1065965386 /nfs/dbraw/zinc/96/53/86/1065965386.db2.gz AGIGBFAVMXKWRB-RPWUZVMVSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@H]1CN(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1CCOC ZINC001293517017 1066040240 /nfs/dbraw/zinc/04/02/40/1066040240.db2.gz GXQMIZDSCZSIEJ-DEOSSOPVSA-N 2 2 470.662 2.829 20 0 JFADLP CC[C@H]1CN(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1CCOC ZINC001293517017 1066040251 /nfs/dbraw/zinc/04/02/51/1066040251.db2.gz GXQMIZDSCZSIEJ-DEOSSOPVSA-N 2 2 470.662 2.829 20 0 JFADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)c2ccccc21 ZINC001164681884 719673552 /nfs/dbraw/zinc/67/35/52/719673552.db2.gz OAPRBKILVPGGHR-HSZRJFAPSA-N 3 2 490.696 2.927 20 0 JFADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164722726 720287615 /nfs/dbraw/zinc/28/76/15/720287615.db2.gz QZKHEYAOOGZHSM-RUZDIDTESA-N 2 2 488.702 2.815 20 0 JFADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164722726 720287618 /nfs/dbraw/zinc/28/76/18/720287618.db2.gz QZKHEYAOOGZHSM-RUZDIDTESA-N 2 2 488.702 2.815 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CCOC[C@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)[nH+]2)CC1 ZINC001164727741 720493879 /nfs/dbraw/zinc/49/38/79/720493879.db2.gz NVCSQJVIZNJHMD-CPJSRVTESA-N 2 2 455.578 2.697 20 0 JFADLP CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840643 720600214 /nfs/dbraw/zinc/60/02/14/720600214.db2.gz QCSFIQUIQSVCPS-FDFHNCONSA-N 2 2 465.650 2.646 20 0 JFADLP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840643 720600224 /nfs/dbraw/zinc/60/02/24/720600224.db2.gz QCSFIQUIQSVCPS-FDFHNCONSA-N 2 2 465.650 2.646 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CCc4nc(C(=O)NCc5ccccc5)sc4CC3)[nH+]2)CC1 ZINC001164845208 720745620 /nfs/dbraw/zinc/74/56/20/720745620.db2.gz XDQNBOKNGVBIBJ-UHFFFAOYSA-N 2 2 462.623 2.825 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164773394 721212833 /nfs/dbraw/zinc/21/28/33/721212833.db2.gz WYKGXPNLFISIFE-FCHUYYIVSA-N 2 2 476.604 2.634 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164773394 721212847 /nfs/dbraw/zinc/21/28/47/721212847.db2.gz WYKGXPNLFISIFE-FCHUYYIVSA-N 2 2 476.604 2.634 20 0 JFADLP COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)[nH+]c2C)cc1 ZINC001164873506 721283812 /nfs/dbraw/zinc/28/38/12/721283812.db2.gz NEQPQRJFHVSPEP-UHFFFAOYSA-N 2 2 480.609 2.851 20 0 JFADLP COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)[nH+]c2C)cc1 ZINC001164873506 721283815 /nfs/dbraw/zinc/28/38/15/721283815.db2.gz NEQPQRJFHVSPEP-UHFFFAOYSA-N 2 2 480.609 2.851 20 0 JFADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164788777 721469829 /nfs/dbraw/zinc/46/98/29/721469829.db2.gz KKCQXPCXFBANON-OAQYLSRUSA-N 2 2 461.676 2.764 20 0 JFADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164788777 721469832 /nfs/dbraw/zinc/46/98/32/721469832.db2.gz KKCQXPCXFBANON-OAQYLSRUSA-N 2 2 461.676 2.764 20 0 JFADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164788777 721469836 /nfs/dbraw/zinc/46/98/36/721469836.db2.gz KKCQXPCXFBANON-OAQYLSRUSA-N 2 2 461.676 2.764 20 0 JFADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164788777 721469840 /nfs/dbraw/zinc/46/98/40/721469840.db2.gz KKCQXPCXFBANON-OAQYLSRUSA-N 2 2 461.676 2.764 20 0 JFADLP COc1cc2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164915608 721785231 /nfs/dbraw/zinc/78/52/31/721785231.db2.gz LWVXZEBYAFQFAB-RUZDIDTESA-N 2 2 450.539 2.755 20 0 JFADLP COc1cc2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164915608 721785232 /nfs/dbraw/zinc/78/52/32/721785232.db2.gz LWVXZEBYAFQFAB-RUZDIDTESA-N 2 2 450.539 2.755 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CCC(c4nc(-c5ccc(S(C)(=O)=O)cc5)no4)CC3)[nH+]2)CC1 ZINC001165033559 721876847 /nfs/dbraw/zinc/87/68/47/721876847.db2.gz SAALJLJWFDURER-UHFFFAOYSA-N 2 2 482.610 2.671 20 0 JFADLP c1ccc(N2CCN(c3cc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164985411 722149768 /nfs/dbraw/zinc/14/97/68/722149768.db2.gz ZJBUFTOCLZIJCC-AZGAKELHSA-N 2 2 485.636 2.926 20 0 JFADLP c1ccc(N2CCN(c3cc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164985411 722149770 /nfs/dbraw/zinc/14/97/70/722149770.db2.gz ZJBUFTOCLZIJCC-AZGAKELHSA-N 2 2 485.636 2.926 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001286891291 1061358525 /nfs/dbraw/zinc/35/85/25/1061358525.db2.gz XHOXPOOQGRJVGB-DEOSSOPVSA-N 2 2 481.689 2.742 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001286891291 1061358541 /nfs/dbraw/zinc/35/85/41/1061358541.db2.gz XHOXPOOQGRJVGB-DEOSSOPVSA-N 2 2 481.689 2.742 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001286891292 1061359788 /nfs/dbraw/zinc/35/97/88/1061359788.db2.gz XHOXPOOQGRJVGB-XMMPIXPASA-N 2 2 481.689 2.742 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001286891292 1061359805 /nfs/dbraw/zinc/35/98/05/1061359805.db2.gz XHOXPOOQGRJVGB-XMMPIXPASA-N 2 2 481.689 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC001294105542 1061586827 /nfs/dbraw/zinc/58/68/27/1061586827.db2.gz YQZXOQRLMUDHHD-NHCUHLMSSA-N 2 2 457.623 2.576 20 0 JFADLP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC001294105542 1061586848 /nfs/dbraw/zinc/58/68/48/1061586848.db2.gz YQZXOQRLMUDHHD-NHCUHLMSSA-N 2 2 457.623 2.576 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc(COc4cccc(C)c4)n3C[C@H](C)[NH+](C)C)CC2)on1 ZINC001290074817 1061803483 /nfs/dbraw/zinc/80/34/83/1061803483.db2.gz PJBITNPPKDTBTC-FQEVSTJZSA-N 2 2 453.591 2.734 20 0 JFADLP Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001290107952 1061835641 /nfs/dbraw/zinc/83/56/41/1061835641.db2.gz WHKSODGZAPHXHP-OAQYLSRUSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001290107952 1061835657 /nfs/dbraw/zinc/83/56/57/1061835657.db2.gz WHKSODGZAPHXHP-OAQYLSRUSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC[NH+]1CCOC[C@H]1C ZINC001290107952 1061835674 /nfs/dbraw/zinc/83/56/74/1061835674.db2.gz WHKSODGZAPHXHP-OAQYLSRUSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC[NH+]1CCOC[C@H]1C ZINC001290107952 1061835691 /nfs/dbraw/zinc/83/56/91/1061835691.db2.gz WHKSODGZAPHXHP-OAQYLSRUSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001290153692 1061895126 /nfs/dbraw/zinc/89/51/26/1061895126.db2.gz VAWDWLCPXLZPTK-ZRZAMGCNSA-N 2 2 484.689 2.834 20 0 JFADLP Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001290153692 1061895155 /nfs/dbraw/zinc/89/51/55/1061895155.db2.gz VAWDWLCPXLZPTK-ZRZAMGCNSA-N 2 2 484.689 2.834 20 0 JFADLP CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)CC1 ZINC001287041578 1062009248 /nfs/dbraw/zinc/00/92/48/1062009248.db2.gz MYQUJFJXZGTTHN-IBGZPJMESA-N 2 2 454.623 2.685 20 0 JFADLP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001290402497 1062107620 /nfs/dbraw/zinc/10/76/20/1062107620.db2.gz YQCSQENYAHBUAP-QFIPXVFZSA-N 2 2 487.649 2.844 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@@H+](C)C(C)C)CC2)s1 ZINC001290498831 1062290201 /nfs/dbraw/zinc/29/02/01/1062290201.db2.gz XLHYRYCBKBXEBL-UHFFFAOYSA-N 2 2 497.673 2.743 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@H+](C)C(C)C)CC2)s1 ZINC001290498831 1062290224 /nfs/dbraw/zinc/29/02/24/1062290224.db2.gz XLHYRYCBKBXEBL-UHFFFAOYSA-N 2 2 497.673 2.743 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001290563296 1062365708 /nfs/dbraw/zinc/36/57/08/1062365708.db2.gz MABJHJSBHAMWPF-NHCUHLMSSA-N 2 2 486.709 2.648 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001290563820 1062366196 /nfs/dbraw/zinc/36/61/96/1062366196.db2.gz KSORULKALWKKNR-WOJBJXKFSA-N 2 2 486.709 2.962 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001290565968 1062368232 /nfs/dbraw/zinc/36/82/32/1062368232.db2.gz WZBQXANLKSIPIK-HXUWFJFHSA-N 2 2 486.709 2.508 20 0 JFADLP CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)[NH+](C)C ZINC001287318488 1062789765 /nfs/dbraw/zinc/78/97/65/1062789765.db2.gz BTXPYEVYZOZZQW-HXUWFJFHSA-N 2 2 491.644 2.925 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287328563 1062802735 /nfs/dbraw/zinc/80/27/35/1062802735.db2.gz HSMIUHYGCRIQOY-YADHBBJMSA-N 2 2 484.693 2.773 20 0 JFADLP CC(C)C[C@H](Cn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339377 1062817208 /nfs/dbraw/zinc/81/72/08/1062817208.db2.gz UWJDZSFYOLHHJZ-NHCUHLMSSA-N 2 2 461.699 2.685 20 0 JFADLP CC(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287729784 1063052784 /nfs/dbraw/zinc/05/27/84/1063052784.db2.gz WYEUEIHNISEIJK-PSWAGMNNSA-N 2 2 483.705 2.844 20 0 JFADLP CC(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287729784 1063052811 /nfs/dbraw/zinc/05/28/11/1063052811.db2.gz WYEUEIHNISEIJK-PSWAGMNNSA-N 2 2 483.705 2.844 20 0 JFADLP CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)C(C)C ZINC001291095477 1063054915 /nfs/dbraw/zinc/05/49/15/1063054915.db2.gz MFQZEUKLWHVUGO-QHCPKHFHSA-N 2 2 496.704 2.982 20 0 JFADLP C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291106692 1063094345 /nfs/dbraw/zinc/09/43/45/1063094345.db2.gz ZLMLZLFRUFBRIO-ROUUACIJSA-N 2 2 494.482 2.925 20 0 JFADLP C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106692 1063094365 /nfs/dbraw/zinc/09/43/65/1063094365.db2.gz ZLMLZLFRUFBRIO-ROUUACIJSA-N 2 2 494.482 2.925 20 0 JFADLP C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107688 1063097079 /nfs/dbraw/zinc/09/70/79/1063097079.db2.gz LQEZGSOZQJEDEL-RTWAWAEBSA-N 2 2 458.626 2.897 20 0 JFADLP C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107688 1063097102 /nfs/dbraw/zinc/09/71/02/1063097102.db2.gz LQEZGSOZQJEDEL-RTWAWAEBSA-N 2 2 458.626 2.897 20 0 JFADLP CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141904 1063217270 /nfs/dbraw/zinc/21/72/70/1063217270.db2.gz VDRMMVUHOJPEAR-FCHUYYIVSA-N 2 2 459.683 2.655 20 0 JFADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295328970 1063227727 /nfs/dbraw/zinc/22/77/27/1063227727.db2.gz NQPJLZHRNAIVAG-HXUWFJFHSA-N 2 2 459.639 2.678 20 0 JFADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295328970 1063227748 /nfs/dbraw/zinc/22/77/48/1063227748.db2.gz NQPJLZHRNAIVAG-HXUWFJFHSA-N 2 2 459.639 2.678 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186394 1063290643 /nfs/dbraw/zinc/29/06/43/1063290643.db2.gz DQYGFWKDFSQTJI-ISBRNDMJSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186394 1063290662 /nfs/dbraw/zinc/29/06/62/1063290662.db2.gz DQYGFWKDFSQTJI-ISBRNDMJSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](CCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186394 1063290677 /nfs/dbraw/zinc/29/06/77/1063290677.db2.gz DQYGFWKDFSQTJI-ISBRNDMJSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](CCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186394 1063290691 /nfs/dbraw/zinc/29/06/91/1063290691.db2.gz DQYGFWKDFSQTJI-ISBRNDMJSA-N 2 2 492.709 2.605 20 0 JFADLP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187336 1063294843 /nfs/dbraw/zinc/29/48/43/1063294843.db2.gz SLVOZRRLYDBMPM-PLACYPQZSA-N 2 2 450.672 2.835 20 0 JFADLP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187336 1063294864 /nfs/dbraw/zinc/29/48/64/1063294864.db2.gz SLVOZRRLYDBMPM-PLACYPQZSA-N 2 2 450.672 2.835 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001295376955 1063347058 /nfs/dbraw/zinc/34/70/58/1063347058.db2.gz QWMHLXPKLLURCK-UPVQGACJSA-N 2 2 475.726 2.897 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001295553261 1063586424 /nfs/dbraw/zinc/58/64/24/1063586424.db2.gz DDKWFPVHKBWFIW-RTWAWAEBSA-N 2 2 467.662 2.773 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295573313 1063612279 /nfs/dbraw/zinc/61/22/79/1063612279.db2.gz VOJOSVBHKPQERO-PXDATVDWSA-N 2 2 471.650 2.771 20 0 JFADLP C[C@@H]1COCC[N@@H+]1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(C)(C)C ZINC001291309907 1063737312 /nfs/dbraw/zinc/73/73/12/1063737312.db2.gz OUBNDPHSJQBJHQ-HSZRJFAPSA-N 2 2 483.705 2.846 20 0 JFADLP C[C@@H]1COCC[N@H+]1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(C)(C)C ZINC001291309907 1063737326 /nfs/dbraw/zinc/73/73/26/1063737326.db2.gz OUBNDPHSJQBJHQ-HSZRJFAPSA-N 2 2 483.705 2.846 20 0 JFADLP COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001295992044 1064046710 /nfs/dbraw/zinc/04/67/10/1064046710.db2.gz GEQZXNIUCPMJDO-PCCBWWKXSA-N 2 2 454.656 2.712 20 0 JFADLP COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001295992044 1064046725 /nfs/dbraw/zinc/04/67/25/1064046725.db2.gz GEQZXNIUCPMJDO-PCCBWWKXSA-N 2 2 454.656 2.712 20 0 JFADLP CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291594447 1064130431 /nfs/dbraw/zinc/13/04/31/1064130431.db2.gz HWYACNKZCVIZDZ-YADHBBJMSA-N 2 2 497.688 2.848 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291620304 1064159318 /nfs/dbraw/zinc/15/93/18/1064159318.db2.gz INSQYUOXCKAABL-FGZHOGPDSA-N 2 2 461.699 2.507 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291620304 1064159324 /nfs/dbraw/zinc/15/93/24/1064159324.db2.gz INSQYUOXCKAABL-FGZHOGPDSA-N 2 2 461.699 2.507 20 0 JFADLP CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296090723 1064162584 /nfs/dbraw/zinc/16/25/84/1064162584.db2.gz WZKFCPSXGKTNRE-OAQYLSRUSA-N 2 2 472.634 2.605 20 0 JFADLP CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296090723 1064162588 /nfs/dbraw/zinc/16/25/88/1064162588.db2.gz WZKFCPSXGKTNRE-OAQYLSRUSA-N 2 2 472.634 2.605 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296132590 1064230650 /nfs/dbraw/zinc/23/06/50/1064230650.db2.gz BTEOZPHXMRLWLR-ZRBLBEILSA-N 2 2 499.704 2.811 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296132590 1064230655 /nfs/dbraw/zinc/23/06/55/1064230655.db2.gz BTEOZPHXMRLWLR-ZRBLBEILSA-N 2 2 499.704 2.811 20 0 JFADLP CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001296132941 1064232541 /nfs/dbraw/zinc/23/25/41/1064232541.db2.gz FCAQUBBXTSHUIX-JOCHJYFZSA-N 2 2 475.726 2.584 20 0 JFADLP CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001296132941 1064232550 /nfs/dbraw/zinc/23/25/50/1064232550.db2.gz FCAQUBBXTSHUIX-JOCHJYFZSA-N 2 2 475.726 2.584 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001291767891 1064249757 /nfs/dbraw/zinc/24/97/57/1064249757.db2.gz OWSAJQKNDUVKPV-NHCUHLMSSA-N 2 2 467.662 2.773 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001291767891 1064249761 /nfs/dbraw/zinc/24/97/61/1064249761.db2.gz OWSAJQKNDUVKPV-NHCUHLMSSA-N 2 2 467.662 2.773 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291774048 1064260858 /nfs/dbraw/zinc/26/08/58/1064260858.db2.gz KTZMIQFRAPDRLS-LADGPHEKSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291774048 1064260866 /nfs/dbraw/zinc/26/08/66/1064260866.db2.gz KTZMIQFRAPDRLS-LADGPHEKSA-N 2 2 475.726 2.897 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001296156109 1064268622 /nfs/dbraw/zinc/26/86/22/1064268622.db2.gz SPDSKTOIPVDNEG-UZLBHIALSA-N 2 2 458.561 2.790 20 0 JFADLP CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001296156109 1064268630 /nfs/dbraw/zinc/26/86/30/1064268630.db2.gz SPDSKTOIPVDNEG-UZLBHIALSA-N 2 2 458.561 2.790 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001296165396 1064283894 /nfs/dbraw/zinc/28/38/94/1064283894.db2.gz ISALREGYPKPTAE-PXNSSMCTSA-N 2 2 475.588 2.512 20 0 JFADLP CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001296165396 1064283909 /nfs/dbraw/zinc/28/39/09/1064283909.db2.gz ISALREGYPKPTAE-PXNSSMCTSA-N 2 2 475.588 2.512 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)C[C@@H]1C ZINC001296166701 1064287644 /nfs/dbraw/zinc/28/76/44/1064287644.db2.gz ONINIWKIAJOSNR-SFHVURJKSA-N 2 2 468.631 2.697 20 0 JFADLP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)C[C@@H]1C ZINC001296166701 1064287661 /nfs/dbraw/zinc/28/76/61/1064287661.db2.gz ONINIWKIAJOSNR-SFHVURJKSA-N 2 2 468.631 2.697 20 0 JFADLP CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296197002 1064372030 /nfs/dbraw/zinc/37/20/30/1064372030.db2.gz XUCDIXVHMRRXMI-RJGXRXQPSA-N 2 2 475.726 2.755 20 0 JFADLP CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296197002 1064372038 /nfs/dbraw/zinc/37/20/38/1064372038.db2.gz XUCDIXVHMRRXMI-RJGXRXQPSA-N 2 2 475.726 2.755 20 0 JFADLP CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)[NH+](C)C ZINC001291963534 1064576841 /nfs/dbraw/zinc/57/68/41/1064576841.db2.gz KRPVGRGJBVUYFT-JOCHJYFZSA-N 2 2 469.638 2.664 20 0 JFADLP CCC(CC)[C@H](Cn1c(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001291977901 1064593747 /nfs/dbraw/zinc/59/37/47/1064593747.db2.gz KNIXVAKNGWLUKY-PUHATCMVSA-N 2 2 476.710 2.870 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001292018726 1064654711 /nfs/dbraw/zinc/65/47/11/1064654711.db2.gz YIXOGHBBFFMDDC-NKKJXINNSA-N 2 2 497.688 2.656 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292073111 1064751576 /nfs/dbraw/zinc/75/15/76/1064751576.db2.gz CUMHQPNHPXHWPM-NRFANRHFSA-N 2 2 468.650 2.560 20 0 JFADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463566 1065192843 /nfs/dbraw/zinc/19/28/43/1065192843.db2.gz XJZGXIHGVLFSRH-XUZZJYLKSA-N 2 2 481.689 2.839 20 0 JFADLP CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292920879 1065606515 /nfs/dbraw/zinc/60/65/15/1065606515.db2.gz QKQATHSLNYRVMV-KUFMOJEASA-N 2 2 456.631 2.574 20 0 JFADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001293099043 1065749070 /nfs/dbraw/zinc/74/90/70/1065749070.db2.gz OCCNGBWQIAKWOM-JOCHJYFZSA-N 2 2 457.022 2.813 20 0 JFADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001293099043 1065749075 /nfs/dbraw/zinc/74/90/75/1065749075.db2.gz OCCNGBWQIAKWOM-JOCHJYFZSA-N 2 2 457.022 2.813 20 0 JFADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001293099044 1065749166 /nfs/dbraw/zinc/74/91/66/1065749166.db2.gz OCCNGBWQIAKWOM-QFIPXVFZSA-N 2 2 457.022 2.813 20 0 JFADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001293099044 1065749176 /nfs/dbraw/zinc/74/91/76/1065749176.db2.gz OCCNGBWQIAKWOM-QFIPXVFZSA-N 2 2 457.022 2.813 20 0 JFADLP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293110144 1065756018 /nfs/dbraw/zinc/75/60/18/1065756018.db2.gz WZBBUPGHXACQFC-DEOSSOPVSA-N 2 2 457.018 2.869 20 0 JFADLP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293110144 1065756030 /nfs/dbraw/zinc/75/60/30/1065756030.db2.gz WZBBUPGHXACQFC-DEOSSOPVSA-N 2 2 457.018 2.869 20 0 JFADLP CCc1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001293127588 1065778548 /nfs/dbraw/zinc/77/85/48/1065778548.db2.gz MKMRJLUAUBHMLO-DEOSSOPVSA-N 2 2 486.661 2.537 20 0 JFADLP CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001293253336 1065917733 /nfs/dbraw/zinc/91/77/33/1065917733.db2.gz LFMOPIAVWCMZEN-HNNXBMFYSA-N 2 2 452.477 2.667 20 0 JFADLP CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001293253336 1065917737 /nfs/dbraw/zinc/91/77/37/1065917737.db2.gz LFMOPIAVWCMZEN-HNNXBMFYSA-N 2 2 452.477 2.667 20 0 JFADLP COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255471 1065919884 /nfs/dbraw/zinc/91/98/84/1065919884.db2.gz VYRJYCAGWUUTCC-QXAKKESOSA-N 2 2 458.603 2.539 20 0 JFADLP COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255471 1065919891 /nfs/dbraw/zinc/91/98/91/1065919891.db2.gz VYRJYCAGWUUTCC-QXAKKESOSA-N 2 2 458.603 2.539 20 0 JFADLP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001294000051 1066501927 /nfs/dbraw/zinc/50/19/27/1066501927.db2.gz RABKFRHICRRHPP-HXUWFJFHSA-N 2 2 454.590 2.609 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC001294073089 1066542156 /nfs/dbraw/zinc/54/21/56/1066542156.db2.gz JQWOJRDOPQOUHY-NRFANRHFSA-N 2 2 464.618 2.787 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC001294073089 1066542160 /nfs/dbraw/zinc/54/21/60/1066542160.db2.gz JQWOJRDOPQOUHY-NRFANRHFSA-N 2 2 464.618 2.787 20 0 JFADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(Cn4cncn4)c[nH+]3)CC2)c2ccccc21 ZINC001164680383 719677126 /nfs/dbraw/zinc/67/71/26/719677126.db2.gz DKALJXLHCARAID-JOCHJYFZSA-N 2 2 473.625 2.815 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164697663 719895142 /nfs/dbraw/zinc/89/51/42/719895142.db2.gz MTVBGIBOBMYRJI-UHFFFAOYSA-N 2 2 471.627 2.799 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164697663 719895146 /nfs/dbraw/zinc/89/51/46/719895146.db2.gz MTVBGIBOBMYRJI-UHFFFAOYSA-N 2 2 471.627 2.799 20 0 JFADLP COc1cc2[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)ccc2c(OC)c1 ZINC001164713250 720203918 /nfs/dbraw/zinc/20/39/18/720203918.db2.gz AEDQWZPOAFGNTK-NRFANRHFSA-N 2 2 452.559 2.597 20 0 JFADLP Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164733083 720551889 /nfs/dbraw/zinc/55/18/89/720551889.db2.gz JHJDEUWNTUYMPT-UHFFFAOYSA-N 2 2 491.621 2.832 20 0 JFADLP CN(C)C(=O)c1cc2c[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764896 721134253 /nfs/dbraw/zinc/13/42/53/721134253.db2.gz ILPXPPMRRVBFMX-CTNGQTDRSA-N 2 2 476.629 2.940 20 0 JFADLP CN(C)C(=O)c1cc2c[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764896 721134257 /nfs/dbraw/zinc/13/42/57/721134257.db2.gz ILPXPPMRRVBFMX-CTNGQTDRSA-N 2 2 476.629 2.940 20 0 JFADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164783606 721462574 /nfs/dbraw/zinc/46/25/74/721462574.db2.gz DPZHRSXCCGWFLK-QHCPKHFHSA-N 3 2 457.663 2.567 20 0 JFADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164783606 721462577 /nfs/dbraw/zinc/46/25/77/721462577.db2.gz DPZHRSXCCGWFLK-QHCPKHFHSA-N 3 2 457.663 2.567 20 0 JFADLP C[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007954 721691170 /nfs/dbraw/zinc/69/11/70/721691170.db2.gz HNPFCUJRVQTALJ-DZRGJMJISA-N 2 2 450.587 2.631 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908138 721715720 /nfs/dbraw/zinc/71/57/20/721715720.db2.gz VYRYHCINGVXTRI-XMMPIXPASA-N 2 2 486.567 2.999 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908138 721715726 /nfs/dbraw/zinc/71/57/26/721715726.db2.gz VYRYHCINGVXTRI-XMMPIXPASA-N 2 2 486.567 2.999 20 0 JFADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015546 721766058 /nfs/dbraw/zinc/76/60/58/721766058.db2.gz QWDTZIURJVLZMG-OAQYLSRUSA-N 2 2 462.602 2.551 20 0 JFADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015546 721766060 /nfs/dbraw/zinc/76/60/60/721766060.db2.gz QWDTZIURJVLZMG-OAQYLSRUSA-N 2 2 462.602 2.551 20 0 JFADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCCC[C@@H]2CC[NH+]2CCCC2)C[NH2+]1 ZINC001165046121 721970656 /nfs/dbraw/zinc/97/06/56/721970656.db2.gz BPELHTPOQRHLIC-XQFWAAQXSA-N 2 2 483.613 2.766 20 0 JFADLP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164947375 721991351 /nfs/dbraw/zinc/99/13/51/721991351.db2.gz CLCXPROLJCACMA-PGRDOPGGSA-N 2 2 469.051 2.931 20 0 JFADLP O=C(c1cccnc1N1CC[NH+](CCc2ccccn2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165055386 722014874 /nfs/dbraw/zinc/01/48/74/722014874.db2.gz HNHKPLSMXRHKHP-UHFFFAOYSA-N 2 2 470.621 2.799 20 0 JFADLP c1ccc(N2CCN(c3cc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164985409 722148983 /nfs/dbraw/zinc/14/89/83/722148983.db2.gz ZJBUFTOCLZIJCC-AOYPEHQESA-N 2 2 485.636 2.926 20 0 JFADLP c1ccc(N2CCN(c3cc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164985409 722148986 /nfs/dbraw/zinc/14/89/86/722148986.db2.gz ZJBUFTOCLZIJCC-AOYPEHQESA-N 2 2 485.636 2.926 20 0 JFADLP C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]cnc4c2ccn4Cc2ccc(F)cc2)CC3)CC1 ZINC001164997849 722234338 /nfs/dbraw/zinc/23/43/38/722234338.db2.gz XNMIRQXVMUPSDI-UHFFFAOYSA-N 2 2 472.572 2.766 20 0 JFADLP Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001289787830 1061414580 /nfs/dbraw/zinc/41/45/80/1061414580.db2.gz QXODWHHEEPXBHH-VWLOTQADSA-N 2 2 488.702 2.680 20 0 JFADLP CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001286973169 1061758872 /nfs/dbraw/zinc/75/88/72/1061758872.db2.gz ZYQDFZXGTHTRKD-QFIPXVFZSA-N 2 2 484.693 2.915 20 0 JFADLP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCCn2cc[nH+]c2C)cs1 ZINC001290402034 1062107673 /nfs/dbraw/zinc/10/76/73/1062107673.db2.gz UTKRCPGTCNPIDU-HDICACEKSA-N 2 2 472.663 2.774 20 0 JFADLP Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCCn2cc[nH+]c2C)cs1 ZINC001290402034 1062107684 /nfs/dbraw/zinc/10/76/84/1062107684.db2.gz UTKRCPGTCNPIDU-HDICACEKSA-N 2 2 472.663 2.774 20 0 JFADLP CCC[N@@H+]1CC[C@@H](Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668769 1062223430 /nfs/dbraw/zinc/22/34/30/1062223430.db2.gz CMQBTBBZTQYQCK-DHIUTWEWSA-N 2 2 475.726 2.539 20 0 JFADLP CCC[N@H+]1CC[C@@H](Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668769 1062223449 /nfs/dbraw/zinc/22/34/49/1062223449.db2.gz CMQBTBBZTQYQCK-DHIUTWEWSA-N 2 2 475.726 2.539 20 0 JFADLP CCC[N@@H+]1CC[C@H](Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668770 1062224413 /nfs/dbraw/zinc/22/44/13/1062224413.db2.gz CMQBTBBZTQYQCK-GOTSBHOMSA-N 2 2 475.726 2.539 20 0 JFADLP CCC[N@H+]1CC[C@H](Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668770 1062224433 /nfs/dbraw/zinc/22/44/33/1062224433.db2.gz CMQBTBBZTQYQCK-GOTSBHOMSA-N 2 2 475.726 2.539 20 0 JFADLP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001294698211 1062260933 /nfs/dbraw/zinc/26/09/33/1062260933.db2.gz IWZDQIIWWBJFHR-OAQYLSRUSA-N 2 2 456.635 2.987 20 0 JFADLP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001294698211 1062260956 /nfs/dbraw/zinc/26/09/56/1062260956.db2.gz IWZDQIIWWBJFHR-OAQYLSRUSA-N 2 2 456.635 2.987 20 0 JFADLP CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001294754127 1062343638 /nfs/dbraw/zinc/34/36/38/1062343638.db2.gz BPNMSHJHPQYWGM-IBGZPJMESA-N 2 2 462.589 2.790 20 0 JFADLP CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001294754127 1062343660 /nfs/dbraw/zinc/34/36/60/1062343660.db2.gz BPNMSHJHPQYWGM-IBGZPJMESA-N 2 2 462.589 2.790 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001290565961 1062368472 /nfs/dbraw/zinc/36/84/72/1062368472.db2.gz WZBQXANLKSIPIK-FQEVSTJZSA-N 2 2 486.709 2.508 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001287321360 1062797521 /nfs/dbraw/zinc/79/75/21/1062797521.db2.gz FXXKCWVSZZVFMP-IBGZPJMESA-N 2 2 450.031 2.738 20 0 JFADLP C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106691 1063094905 /nfs/dbraw/zinc/09/49/05/1063094905.db2.gz ZLMLZLFRUFBRIO-QZTJIDSGSA-N 2 2 494.482 2.925 20 0 JFADLP C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106691 1063094935 /nfs/dbraw/zinc/09/49/35/1063094935.db2.gz ZLMLZLFRUFBRIO-QZTJIDSGSA-N 2 2 494.482 2.925 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001295335997 1063255812 /nfs/dbraw/zinc/25/58/12/1063255812.db2.gz LENRAMOFWMXXCD-UHFFFAOYSA-N 2 2 484.693 2.539 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001295335997 1063255832 /nfs/dbraw/zinc/25/58/32/1063255832.db2.gz LENRAMOFWMXXCD-UHFFFAOYSA-N 2 2 484.693 2.539 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001295336178 1063256521 /nfs/dbraw/zinc/25/65/21/1063256521.db2.gz NPLNGMCASHNMKH-QHCPKHFHSA-N 2 2 496.635 2.706 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295336356 1063257995 /nfs/dbraw/zinc/25/79/95/1063257995.db2.gz PIKUGLLMMQQNMQ-NRFANRHFSA-N 2 2 484.693 2.774 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295336356 1063258014 /nfs/dbraw/zinc/25/80/14/1063258014.db2.gz PIKUGLLMMQQNMQ-NRFANRHFSA-N 2 2 484.693 2.774 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001295336807 1063260137 /nfs/dbraw/zinc/26/01/37/1063260137.db2.gz WMRGYFIHXTZPDK-HSZRJFAPSA-N 2 2 498.720 2.642 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001295336807 1063260148 /nfs/dbraw/zinc/26/01/48/1063260148.db2.gz WMRGYFIHXTZPDK-HSZRJFAPSA-N 2 2 498.720 2.642 20 0 JFADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001295479245 1063487628 /nfs/dbraw/zinc/48/76/28/1063487628.db2.gz CKODHGUZZBSMOC-UHFFFAOYSA-N 2 2 496.635 2.939 20 0 JFADLP CC[NH+](CC)CCCn1c(-c2ccccc2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001295530905 1063567742 /nfs/dbraw/zinc/56/77/42/1063567742.db2.gz QJGLVKHFCJTBNY-UHFFFAOYSA-N 2 2 467.662 2.812 20 0 JFADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)[NH+](C)C ZINC001295748555 1063754063 /nfs/dbraw/zinc/75/40/63/1063754063.db2.gz MEOLNAMKTPANAU-IBGZPJMESA-N 2 2 451.623 2.767 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)c2)CC1 ZINC001295868228 1063904284 /nfs/dbraw/zinc/90/42/84/1063904284.db2.gz YWDFFRUKENJIKJ-BJKOFHAPSA-N 2 2 457.018 2.889 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC001295868228 1063904300 /nfs/dbraw/zinc/90/43/00/1063904300.db2.gz YWDFFRUKENJIKJ-BJKOFHAPSA-N 2 2 457.018 2.889 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001295997517 1064053699 /nfs/dbraw/zinc/05/36/99/1064053699.db2.gz RIFJCNWDGROQFZ-FWKCKQQBSA-N 2 2 494.750 2.857 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001295997517 1064053705 /nfs/dbraw/zinc/05/37/05/1064053705.db2.gz RIFJCNWDGROQFZ-FWKCKQQBSA-N 2 2 494.750 2.857 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295997519 1064054256 /nfs/dbraw/zinc/05/42/56/1064054256.db2.gz RIFJCNWDGROQFZ-MFKCLSPESA-N 2 2 494.750 2.857 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295997519 1064054262 /nfs/dbraw/zinc/05/42/62/1064054262.db2.gz RIFJCNWDGROQFZ-MFKCLSPESA-N 2 2 494.750 2.857 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295997519 1064054268 /nfs/dbraw/zinc/05/42/68/1064054268.db2.gz RIFJCNWDGROQFZ-MFKCLSPESA-N 2 2 494.750 2.857 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295997519 1064054274 /nfs/dbraw/zinc/05/42/74/1064054274.db2.gz RIFJCNWDGROQFZ-MFKCLSPESA-N 2 2 494.750 2.857 20 0 JFADLP CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296062638 1064128704 /nfs/dbraw/zinc/12/87/04/1064128704.db2.gz TYAFTVKRJFILLH-TZIWHRDSSA-N 2 2 460.598 2.810 20 0 JFADLP CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296062638 1064128709 /nfs/dbraw/zinc/12/87/09/1064128709.db2.gz TYAFTVKRJFILLH-TZIWHRDSSA-N 2 2 460.598 2.810 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291632448 1064180701 /nfs/dbraw/zinc/18/07/01/1064180701.db2.gz SYCNOEGJFXAXBK-GPXNEJASSA-N 2 2 470.662 2.616 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296132587 1064230572 /nfs/dbraw/zinc/23/05/72/1064230572.db2.gz BTEOZPHXMRLWLR-DNVJHFABSA-N 2 2 499.704 2.811 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296132587 1064230581 /nfs/dbraw/zinc/23/05/81/1064230581.db2.gz BTEOZPHXMRLWLR-DNVJHFABSA-N 2 2 499.704 2.811 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291767457 1064249348 /nfs/dbraw/zinc/24/93/48/1064249348.db2.gz MYOHLDNZKWVIFH-HXUWFJFHSA-N 2 2 451.619 2.992 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291767457 1064249354 /nfs/dbraw/zinc/24/93/54/1064249354.db2.gz MYOHLDNZKWVIFH-HXUWFJFHSA-N 2 2 451.619 2.992 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291771370 1064253415 /nfs/dbraw/zinc/25/34/15/1064253415.db2.gz DJNASLHEVHCZAO-YADHBBJMSA-N 2 2 482.677 2.512 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291771370 1064253422 /nfs/dbraw/zinc/25/34/22/1064253422.db2.gz DJNASLHEVHCZAO-YADHBBJMSA-N 2 2 482.677 2.512 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001296156098 1064268542 /nfs/dbraw/zinc/26/85/42/1064268542.db2.gz SPDSKTOIPVDNEG-OXQOHEQNSA-N 2 2 458.561 2.790 20 0 JFADLP CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001296156098 1064268546 /nfs/dbraw/zinc/26/85/46/1064268546.db2.gz SPDSKTOIPVDNEG-OXQOHEQNSA-N 2 2 458.561 2.790 20 0 JFADLP CCN1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296214888 1064414970 /nfs/dbraw/zinc/41/49/70/1064414970.db2.gz QBDZTTCHKLFRMI-UHFFFAOYSA-N 2 2 473.641 2.554 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292073113 1064751721 /nfs/dbraw/zinc/75/17/21/1064751721.db2.gz CUMHQPNHPXHWPM-OAQYLSRUSA-N 2 2 468.650 2.560 20 0 JFADLP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001292864385 1065579216 /nfs/dbraw/zinc/57/92/16/1065579216.db2.gz JNFDWLVXLKOOIM-UHFFFAOYSA-N 2 2 455.584 2.971 20 0 JFADLP CN(C(=O)CCc1ccc(F)c2ccccc12)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292920679 1065605692 /nfs/dbraw/zinc/60/56/92/1065605692.db2.gz MGVYNQAHQWZXPK-UHFFFAOYSA-N 2 2 454.590 2.608 20 0 JFADLP Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001292959282 1065637768 /nfs/dbraw/zinc/63/77/68/1065637768.db2.gz YBEMBEJEWWFTLT-UHFFFAOYSA-N 2 2 450.377 2.962 20 0 JFADLP Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001292959282 1065637773 /nfs/dbraw/zinc/63/77/73/1065637773.db2.gz YBEMBEJEWWFTLT-UHFFFAOYSA-N 2 2 450.377 2.962 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001293132051 1065784573 /nfs/dbraw/zinc/78/45/73/1065784573.db2.gz UVPQZQBDAYYIGM-VWLOTQADSA-N 2 2 483.705 2.572 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001293132051 1065784583 /nfs/dbraw/zinc/78/45/83/1065784583.db2.gz UVPQZQBDAYYIGM-VWLOTQADSA-N 2 2 483.705 2.572 20 0 JFADLP CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293361388 1065965131 /nfs/dbraw/zinc/96/51/31/1065965131.db2.gz AGIGBFAVMXKWRB-BJKOFHAPSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293361388 1065965147 /nfs/dbraw/zinc/96/51/47/1065965147.db2.gz AGIGBFAVMXKWRB-BJKOFHAPSA-N 2 2 475.726 2.897 20 0 JFADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001293723389 1066183160 /nfs/dbraw/zinc/18/31/60/1066183160.db2.gz OHPCUJDDQSGVBP-HSZRJFAPSA-N 2 2 454.619 2.900 20 0 JFADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001293723389 1066183168 /nfs/dbraw/zinc/18/31/68/1066183168.db2.gz OHPCUJDDQSGVBP-HSZRJFAPSA-N 2 2 454.619 2.900 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001294073137 1066542474 /nfs/dbraw/zinc/54/24/74/1066542474.db2.gz KJQZMWDJXICIKI-LEWJYISDSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001294073137 1066542481 /nfs/dbraw/zinc/54/24/81/1066542481.db2.gz KJQZMWDJXICIKI-LEWJYISDSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001294073137 1066542486 /nfs/dbraw/zinc/54/24/86/1066542486.db2.gz KJQZMWDJXICIKI-LEWJYISDSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001294073137 1066542492 /nfs/dbraw/zinc/54/24/92/1066542492.db2.gz KJQZMWDJXICIKI-LEWJYISDSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001294073138 1066542646 /nfs/dbraw/zinc/54/26/46/1066542646.db2.gz KJQZMWDJXICIKI-NHCUHLMSSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001294073138 1066542657 /nfs/dbraw/zinc/54/26/57/1066542657.db2.gz KJQZMWDJXICIKI-NHCUHLMSSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001294073138 1066542667 /nfs/dbraw/zinc/54/26/67/1066542667.db2.gz KJQZMWDJXICIKI-NHCUHLMSSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001294073138 1066542680 /nfs/dbraw/zinc/54/26/80/1066542680.db2.gz KJQZMWDJXICIKI-NHCUHLMSSA-N 2 2 474.625 2.742 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164391075 718824438 /nfs/dbraw/zinc/82/44/38/718824438.db2.gz SMSAHWAMWKPART-IAGOWNOFSA-N 2 2 459.616 2.729 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c2c1C ZINC001164391079 718824634 /nfs/dbraw/zinc/82/46/34/718824634.db2.gz SMSAHWAMWKPART-SJORKVTESA-N 2 2 459.616 2.729 20 0 JFADLP O=C1NCCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)C12C[NH2+]C2 ZINC001164411207 718878799 /nfs/dbraw/zinc/87/87/99/718878799.db2.gz NZDVSCSNENTZJY-UHFFFAOYSA-N 2 2 454.625 2.684 20 0 JFADLP CN1CC[NH+](Cc2cc3nc(N4CCCC[C@H]4C4CC[NH2+]CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417361 718892480 /nfs/dbraw/zinc/89/24/80/718892480.db2.gz JNTQXWOFZJNHPB-QHCPKHFHSA-N 2 2 499.729 2.634 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164671665 719444178 /nfs/dbraw/zinc/44/41/78/719444178.db2.gz QOEWDKRKLZNRDB-IRXDYDNUSA-N 2 2 459.616 2.682 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164671665 719444186 /nfs/dbraw/zinc/44/41/86/719444186.db2.gz QOEWDKRKLZNRDB-IRXDYDNUSA-N 2 2 459.616 2.682 20 0 JFADLP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001164682887 719630182 /nfs/dbraw/zinc/63/01/82/719630182.db2.gz PQLRBNWIMDKRDG-UHFFFAOYSA-N 3 2 487.652 2.711 20 0 JFADLP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001164682887 719630193 /nfs/dbraw/zinc/63/01/93/719630193.db2.gz PQLRBNWIMDKRDG-UHFFFAOYSA-N 3 2 487.652 2.711 20 0 JFADLP CC(C)[N@H+](C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[NH+]2CC[C@@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681981 719631191 /nfs/dbraw/zinc/63/11/91/719631191.db2.gz KPRKTWGAIHCOIC-LJQANCHMSA-N 3 2 497.688 2.552 20 0 JFADLP CC(C)[N@@H+](C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[NH+]2CC[C@@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681981 719631205 /nfs/dbraw/zinc/63/12/05/719631205.db2.gz KPRKTWGAIHCOIC-LJQANCHMSA-N 3 2 497.688 2.552 20 0 JFADLP CC(C)[NH+](C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681981 719631223 /nfs/dbraw/zinc/63/12/23/719631223.db2.gz KPRKTWGAIHCOIC-LJQANCHMSA-N 3 2 497.688 2.552 20 0 JFADLP CC(C)[NH+](C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681981 719631237 /nfs/dbraw/zinc/63/12/37/719631237.db2.gz KPRKTWGAIHCOIC-LJQANCHMSA-N 3 2 497.688 2.552 20 0 JFADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164702711 719848398 /nfs/dbraw/zinc/84/83/98/719848398.db2.gz PDQSXDPORWBCBQ-YIXXDRMTSA-N 2 2 464.610 2.873 20 0 JFADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164702711 719848400 /nfs/dbraw/zinc/84/84/00/719848400.db2.gz PDQSXDPORWBCBQ-YIXXDRMTSA-N 2 2 464.610 2.873 20 0 JFADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164718625 720125525 /nfs/dbraw/zinc/12/55/25/720125525.db2.gz TZEJHKVJBKYEGY-GOSISDBHSA-N 2 2 450.543 2.647 20 0 JFADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164718625 720125532 /nfs/dbraw/zinc/12/55/32/720125532.db2.gz TZEJHKVJBKYEGY-GOSISDBHSA-N 2 2 450.543 2.647 20 0 JFADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)CC2 ZINC001164713612 720129885 /nfs/dbraw/zinc/12/98/85/720129885.db2.gz SURSRHOSNUOVLX-QHCPKHFHSA-N 2 2 494.640 2.769 20 0 JFADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)CC2 ZINC001164713612 720129897 /nfs/dbraw/zinc/12/98/97/720129897.db2.gz SURSRHOSNUOVLX-QHCPKHFHSA-N 2 2 494.640 2.769 20 0 JFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)C2 ZINC001164815943 720157949 /nfs/dbraw/zinc/15/79/49/720157949.db2.gz IZKLKEWVGZPRNX-PXDATVDWSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)C2 ZINC001164815943 720157952 /nfs/dbraw/zinc/15/79/52/720157952.db2.gz IZKLKEWVGZPRNX-PXDATVDWSA-N 2 2 481.622 2.853 20 0 JFADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164722729 720287040 /nfs/dbraw/zinc/28/70/40/720287040.db2.gz QZKHEYAOOGZHSM-VWLOTQADSA-N 2 2 488.702 2.815 20 0 JFADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164722729 720287043 /nfs/dbraw/zinc/28/70/43/720287043.db2.gz QZKHEYAOOGZHSM-VWLOTQADSA-N 2 2 488.702 2.815 20 0 JFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164821858 720383812 /nfs/dbraw/zinc/38/38/12/720383812.db2.gz JXHIEICXOWVZAM-UHFFFAOYSA-N 3 2 484.670 2.633 20 0 JFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164821858 720383817 /nfs/dbraw/zinc/38/38/17/720383817.db2.gz JXHIEICXOWVZAM-UHFFFAOYSA-N 3 2 484.670 2.633 20 0 JFADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164834454 720478963 /nfs/dbraw/zinc/47/89/63/720478963.db2.gz SFOVYCUELQKHOO-VWNXMTODSA-N 2 2 468.646 2.815 20 0 JFADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164834454 720478966 /nfs/dbraw/zinc/47/89/66/720478966.db2.gz SFOVYCUELQKHOO-VWNXMTODSA-N 2 2 468.646 2.815 20 0 JFADLP COC(=O)c1ccc(-c2ccc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)[nH+]c2C)cc1 ZINC001164750925 720962091 /nfs/dbraw/zinc/96/20/91/720962091.db2.gz MQGVBJUVFPHJEW-UHFFFAOYSA-N 2 2 463.538 2.686 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)n2)CC1 ZINC001164782975 721359331 /nfs/dbraw/zinc/35/93/31/721359331.db2.gz OMXCLCHLBNMWAU-AREMUKBSSA-N 2 2 498.628 2.590 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)n2)CC1 ZINC001164782975 721359334 /nfs/dbraw/zinc/35/93/34/721359334.db2.gz OMXCLCHLBNMWAU-AREMUKBSSA-N 2 2 498.628 2.590 20 0 JFADLP CCc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(N2CCOCC2)[nH+]1 ZINC001165021199 721842497 /nfs/dbraw/zinc/84/24/97/721842497.db2.gz HLBUFAWABCGPRF-UHFFFAOYSA-N 2 2 455.603 2.994 20 0 JFADLP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164947360 721991581 /nfs/dbraw/zinc/99/15/81/721991581.db2.gz CLCXPROLJCACMA-AVRDEDQJSA-N 2 2 469.051 2.931 20 0 JFADLP C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]cnc4c2ccn4Cc2ccccc2)CC3)CC1 ZINC001164996394 722234595 /nfs/dbraw/zinc/23/45/95/722234595.db2.gz FTDMTFKFFDSUAA-UHFFFAOYSA-N 2 2 454.582 2.627 20 0 JFADLP COC(=O)c1ccc(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)[nH+]c2C)cc1 ZINC001165001591 722236797 /nfs/dbraw/zinc/23/67/97/722236797.db2.gz JWMNGSORIKTRKT-UHFFFAOYSA-N 2 2 472.593 2.991 20 0 JFADLP Cc1[nH+]ccn1CCCn1c(-c2cccc(C)n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001289931691 1061624530 /nfs/dbraw/zinc/62/45/30/1061624530.db2.gz NTCIFEFQKMCDMM-UHFFFAOYSA-N 2 2 452.607 2.791 20 0 JFADLP Cc1[nH+]ccn1CCCn1c(-c2cccc(C)n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001289931691 1061624545 /nfs/dbraw/zinc/62/45/45/1061624545.db2.gz NTCIFEFQKMCDMM-UHFFFAOYSA-N 2 2 452.607 2.791 20 0 JFADLP C[C@@H]1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001294201220 1061707095 /nfs/dbraw/zinc/70/70/95/1061707095.db2.gz IBFBNHZVFKSTMY-CBQOVEMMSA-N 2 2 455.603 2.966 20 0 JFADLP C[C@@H]1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC001294201220 1061707114 /nfs/dbraw/zinc/70/71/14/1061707114.db2.gz IBFBNHZVFKSTMY-CBQOVEMMSA-N 2 2 455.603 2.966 20 0 JFADLP CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294224587 1061735106 /nfs/dbraw/zinc/73/51/06/1061735106.db2.gz VFADCEJYHXOUBO-JOCHJYFZSA-N 2 2 482.677 2.513 20 0 JFADLP CCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294224587 1061735129 /nfs/dbraw/zinc/73/51/29/1061735129.db2.gz VFADCEJYHXOUBO-JOCHJYFZSA-N 2 2 482.677 2.513 20 0 JFADLP CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001294693634 1062252984 /nfs/dbraw/zinc/25/29/84/1062252984.db2.gz OWYXBDJEJFJXSL-FQEVSTJZSA-N 2 2 468.650 2.705 20 0 JFADLP CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001294693634 1062253004 /nfs/dbraw/zinc/25/30/04/1062253004.db2.gz OWYXBDJEJFJXSL-FQEVSTJZSA-N 2 2 468.650 2.705 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(-c4cnccn4)n3CCC[N@@H+](C)C(C)C)CC2)s1 ZINC001290496059 1062284030 /nfs/dbraw/zinc/28/40/30/1062284030.db2.gz CRCVTXXTHKCINN-UHFFFAOYSA-N 2 2 455.636 2.553 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(-c4cnccn4)n3CCC[N@H+](C)C(C)C)CC2)s1 ZINC001290496059 1062284050 /nfs/dbraw/zinc/28/40/50/1062284050.db2.gz CRCVTXXTHKCINN-UHFFFAOYSA-N 2 2 455.636 2.553 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)s1 ZINC001290497036 1062287260 /nfs/dbraw/zinc/28/72/60/1062287260.db2.gz TVMDADLMCVSQME-UXHICEINSA-N 2 2 461.680 2.845 20 0 JFADLP Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001290508726 1062307555 /nfs/dbraw/zinc/30/75/55/1062307555.db2.gz ZLEULIISNABPGA-UHFFFAOYSA-N 2 2 458.998 2.747 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001290563818 1062366524 /nfs/dbraw/zinc/36/65/24/1062366524.db2.gz KSORULKALWKKNR-BGYRXZFFSA-N 2 2 486.709 2.962 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001290563818 1062366542 /nfs/dbraw/zinc/36/65/42/1062366542.db2.gz KSORULKALWKKNR-BGYRXZFFSA-N 2 2 486.709 2.962 20 0 JFADLP CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161461 1062562758 /nfs/dbraw/zinc/56/27/58/1062562758.db2.gz ALLPDWPPPOHYAT-ZDXQCDESSA-N 2 2 476.710 2.913 20 0 JFADLP CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161461 1062562782 /nfs/dbraw/zinc/56/27/82/1062562782.db2.gz ALLPDWPPPOHYAT-ZDXQCDESSA-N 2 2 476.710 2.913 20 0 JFADLP CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)[NH+](C)C ZINC001287318487 1062789709 /nfs/dbraw/zinc/78/97/09/1062789709.db2.gz BTXPYEVYZOZZQW-FQEVSTJZSA-N 2 2 491.644 2.925 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287328725 1062803749 /nfs/dbraw/zinc/80/37/49/1062803749.db2.gz LEZFTWGQHOHMBK-XZOQPEGZSA-N 2 2 498.720 2.783 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290970418 1062844608 /nfs/dbraw/zinc/84/46/08/1062844608.db2.gz QUCNZWQIHCWINA-LEWJYISDSA-N 2 2 459.639 2.767 20 0 JFADLP CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287413832 1062852831 /nfs/dbraw/zinc/85/28/31/1062852831.db2.gz OVKXDPMJRQAFAV-FDFHNCONSA-N 2 2 462.683 2.523 20 0 JFADLP CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287413832 1062852853 /nfs/dbraw/zinc/85/28/53/1062852853.db2.gz OVKXDPMJRQAFAV-FDFHNCONSA-N 2 2 462.683 2.523 20 0 JFADLP CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291066033 1063011464 /nfs/dbraw/zinc/01/14/64/1063011464.db2.gz ITTDDLFZTSIJQY-NLFFAJNJSA-N 2 2 468.650 2.648 20 0 JFADLP CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCOC1 ZINC001291068772 1063016972 /nfs/dbraw/zinc/01/69/72/1063016972.db2.gz RXPQGRRQRGDKPV-RZFJZAQRSA-N 2 2 492.709 2.598 20 0 JFADLP CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)C(C)C ZINC001291095269 1063054212 /nfs/dbraw/zinc/05/42/12/1063054212.db2.gz ILUXHZYXEHPTNH-QFIPXVFZSA-N 2 2 484.693 2.915 20 0 JFADLP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001291103004 1063079438 /nfs/dbraw/zinc/07/94/38/1063079438.db2.gz WTIDFDHMDDPUMW-VQTJNVASSA-N 2 2 480.723 2.611 20 0 JFADLP C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001291103004 1063079456 /nfs/dbraw/zinc/07/94/56/1063079456.db2.gz WTIDFDHMDDPUMW-VQTJNVASSA-N 2 2 480.723 2.611 20 0 JFADLP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC001295464235 1063466704 /nfs/dbraw/zinc/46/67/04/1063466704.db2.gz YRABFDHLEAFTRL-LJQANCHMSA-N 2 2 456.639 2.809 20 0 JFADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001295480884 1063491573 /nfs/dbraw/zinc/49/15/73/1063491573.db2.gz PUQPVVUHNQMDSK-UHFFFAOYSA-N 2 2 478.645 2.800 20 0 JFADLP CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001295501309 1063535168 /nfs/dbraw/zinc/53/51/68/1063535168.db2.gz XHYZBXSTYKKDJC-NZQKXSOJSA-N 2 2 488.702 2.601 20 0 JFADLP CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC001295501309 1063535184 /nfs/dbraw/zinc/53/51/84/1063535184.db2.gz XHYZBXSTYKKDJC-NZQKXSOJSA-N 2 2 488.702 2.601 20 0 JFADLP CC[N@H+](CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC001295844909 1063864913 /nfs/dbraw/zinc/86/49/13/1063864913.db2.gz GSXDVRDFBZYONP-QHCPKHFHSA-N 2 2 461.699 2.507 20 0 JFADLP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC001295844909 1063864931 /nfs/dbraw/zinc/86/49/31/1063864931.db2.gz GSXDVRDFBZYONP-QHCPKHFHSA-N 2 2 461.699 2.507 20 0 JFADLP CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC001295856969 1063887738 /nfs/dbraw/zinc/88/77/38/1063887738.db2.gz ORMMGXLHPQIGCA-UHFFFAOYSA-N 2 2 468.654 2.600 20 0 JFADLP CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC001295856969 1063887745 /nfs/dbraw/zinc/88/77/45/1063887745.db2.gz ORMMGXLHPQIGCA-UHFFFAOYSA-N 2 2 468.654 2.600 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC001295868234 1063904373 /nfs/dbraw/zinc/90/43/73/1063904373.db2.gz YWDFFRUKENJIKJ-RPWUZVMVSA-N 2 2 457.018 2.889 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC001295868234 1063904387 /nfs/dbraw/zinc/90/43/87/1063904387.db2.gz YWDFFRUKENJIKJ-RPWUZVMVSA-N 2 2 457.018 2.889 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291509552 1064060564 /nfs/dbraw/zinc/06/05/64/1064060564.db2.gz GFYBJUPXRZAHDJ-MYDTUXCISA-N 2 2 475.726 2.896 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291509552 1064060573 /nfs/dbraw/zinc/06/05/73/1064060573.db2.gz GFYBJUPXRZAHDJ-MYDTUXCISA-N 2 2 475.726 2.896 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296007647 1064061189 /nfs/dbraw/zinc/06/11/89/1064061189.db2.gz FMBJPCRNCGONAB-FDFHNCONSA-N 2 2 456.635 2.539 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296007647 1064061195 /nfs/dbraw/zinc/06/11/95/1064061195.db2.gz FMBJPCRNCGONAB-FDFHNCONSA-N 2 2 456.635 2.539 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296007647 1064061201 /nfs/dbraw/zinc/06/12/01/1064061201.db2.gz FMBJPCRNCGONAB-FDFHNCONSA-N 2 2 456.635 2.539 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296007647 1064061207 /nfs/dbraw/zinc/06/12/07/1064061207.db2.gz FMBJPCRNCGONAB-FDFHNCONSA-N 2 2 456.635 2.539 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296007649 1064061400 /nfs/dbraw/zinc/06/14/00/1064061400.db2.gz FMBJPCRNCGONAB-FSSWDIPSSA-N 2 2 456.635 2.539 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296007649 1064061407 /nfs/dbraw/zinc/06/14/07/1064061407.db2.gz FMBJPCRNCGONAB-FSSWDIPSSA-N 2 2 456.635 2.539 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296007649 1064061415 /nfs/dbraw/zinc/06/14/15/1064061415.db2.gz FMBJPCRNCGONAB-FSSWDIPSSA-N 2 2 456.635 2.539 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296007649 1064061424 /nfs/dbraw/zinc/06/14/24/1064061424.db2.gz FMBJPCRNCGONAB-FSSWDIPSSA-N 2 2 456.635 2.539 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296009756 1064066497 /nfs/dbraw/zinc/06/64/97/1064066497.db2.gz MXAZYXZPKWPDPF-BHIFYINESA-N 2 2 470.662 2.712 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296009756 1064066506 /nfs/dbraw/zinc/06/65/06/1064066506.db2.gz MXAZYXZPKWPDPF-BHIFYINESA-N 2 2 470.662 2.712 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296009756 1064066511 /nfs/dbraw/zinc/06/65/11/1064066511.db2.gz MXAZYXZPKWPDPF-BHIFYINESA-N 2 2 470.662 2.712 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296009756 1064066520 /nfs/dbraw/zinc/06/65/20/1064066520.db2.gz MXAZYXZPKWPDPF-BHIFYINESA-N 2 2 470.662 2.712 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001296010713 1064069284 /nfs/dbraw/zinc/06/92/84/1064069284.db2.gz CTHCQUOVWYGQQT-NJYVYQBISA-N 2 2 472.634 2.505 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001296010713 1064069290 /nfs/dbraw/zinc/06/92/90/1064069290.db2.gz CTHCQUOVWYGQQT-NJYVYQBISA-N 2 2 472.634 2.505 20 0 JFADLP CC[C@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001291602116 1064137542 /nfs/dbraw/zinc/13/75/42/1064137542.db2.gz JFOSUWXGYCKYRG-ROUUACIJSA-N 2 2 454.627 2.525 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001296130961 1064224668 /nfs/dbraw/zinc/22/46/68/1064224668.db2.gz GXYQPKXXIQGINZ-LEWJYISDSA-N 2 2 457.642 2.564 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001296130961 1064224678 /nfs/dbraw/zinc/22/46/78/1064224678.db2.gz GXYQPKXXIQGINZ-LEWJYISDSA-N 2 2 457.642 2.564 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001296142002 1064248179 /nfs/dbraw/zinc/24/81/79/1064248179.db2.gz HKDUTUYRQQZULP-KRWDZBQOSA-N 2 2 482.585 2.953 20 0 JFADLP CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001296142002 1064248188 /nfs/dbraw/zinc/24/81/88/1064248188.db2.gz HKDUTUYRQQZULP-KRWDZBQOSA-N 2 2 482.585 2.953 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001291767893 1064249783 /nfs/dbraw/zinc/24/97/83/1064249783.db2.gz OWSAJQKNDUVKPV-SFTDATJTSA-N 2 2 467.662 2.773 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001291767893 1064249793 /nfs/dbraw/zinc/24/97/93/1064249793.db2.gz OWSAJQKNDUVKPV-SFTDATJTSA-N 2 2 467.662 2.773 20 0 JFADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccn4)n3CC[N@H+](CC)CCC(F)(F)F)C2)CC1 ZINC001296181314 1064315056 /nfs/dbraw/zinc/31/50/56/1064315056.db2.gz VPQGANCMQAXUEN-FQEVSTJZSA-N 2 2 494.610 2.831 20 0 JFADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccn4)n3CC[N@@H+](CC)CCC(F)(F)F)C2)CC1 ZINC001296181314 1064315082 /nfs/dbraw/zinc/31/50/82/1064315082.db2.gz VPQGANCMQAXUEN-FQEVSTJZSA-N 2 2 494.610 2.831 20 0 JFADLP CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296195212 1064359015 /nfs/dbraw/zinc/35/90/15/1064359015.db2.gz OVPDYVTWTAJBDJ-JOCHJYFZSA-N 2 2 499.704 2.766 20 0 JFADLP CCC(CC)[C@H](Cn1c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001291977903 1064593658 /nfs/dbraw/zinc/59/36/58/1064593658.db2.gz KNIXVAKNGWLUKY-WWNPGLIZSA-N 2 2 476.710 2.870 20 0 JFADLP CCc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC001292460485 1065187761 /nfs/dbraw/zinc/18/77/61/1065187761.db2.gz YDIIZZFUNIYEIL-XMMPIXPASA-N 2 2 463.630 2.974 20 0 JFADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CC2)CC1 ZINC001292649672 1065387048 /nfs/dbraw/zinc/38/70/48/1065387048.db2.gz CRIURHGBKFBINL-FQEVSTJZSA-N 3 2 459.654 2.951 20 0 JFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959107 1065637106 /nfs/dbraw/zinc/63/71/06/1065637106.db2.gz TXAIYHYQXRPBGO-HXUWFJFHSA-N 2 2 458.550 2.921 20 0 JFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959107 1065637113 /nfs/dbraw/zinc/63/71/13/1065637113.db2.gz TXAIYHYQXRPBGO-HXUWFJFHSA-N 2 2 458.550 2.921 20 0 JFADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001293092934 1065740779 /nfs/dbraw/zinc/74/07/79/1065740779.db2.gz DIUUHLWFHJOMOJ-JOCHJYFZSA-N 2 2 459.683 2.630 20 0 JFADLP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293361396 1065965448 /nfs/dbraw/zinc/96/54/48/1065965448.db2.gz AGIGBFAVMXKWRB-DNQXCXABSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293361396 1065965449 /nfs/dbraw/zinc/96/54/49/1065965449.db2.gz AGIGBFAVMXKWRB-DNQXCXABSA-N 2 2 475.726 2.897 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c2c1C ZINC001164409896 718864376 /nfs/dbraw/zinc/86/43/76/718864376.db2.gz VGQYHPDZUCNRIP-MSOLQXFVSA-N 2 2 473.643 2.977 20 0 JFADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC2)CC1 ZINC001164616357 719030923 /nfs/dbraw/zinc/03/09/23/719030923.db2.gz BTJWNWWPXKMNRT-UHFFFAOYSA-N 2 2 497.621 2.912 20 0 JFADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)CC2)c2ccccc21 ZINC001164681930 719674633 /nfs/dbraw/zinc/67/46/33/719674633.db2.gz OLTHYTSCQIRNQK-JOCHJYFZSA-N 3 2 476.669 2.585 20 0 JFADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164702709 719848649 /nfs/dbraw/zinc/84/86/49/719848649.db2.gz PDQSXDPORWBCBQ-WNCULLNHSA-N 2 2 464.610 2.873 20 0 JFADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164702709 719848652 /nfs/dbraw/zinc/84/86/52/719848652.db2.gz PDQSXDPORWBCBQ-WNCULLNHSA-N 2 2 464.610 2.873 20 0 JFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)C2 ZINC001164815942 720158762 /nfs/dbraw/zinc/15/87/62/720158762.db2.gz IZKLKEWVGZPRNX-OFVILXPXSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)C2 ZINC001164815942 720158764 /nfs/dbraw/zinc/15/87/64/720158764.db2.gz IZKLKEWVGZPRNX-OFVILXPXSA-N 2 2 481.622 2.853 20 0 JFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2=O)cs1 ZINC001164820052 720376837 /nfs/dbraw/zinc/37/68/37/720376837.db2.gz KUKJUOBNBWCXDA-UHFFFAOYSA-N 2 2 484.670 2.634 20 0 JFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2=O)cs1 ZINC001164820052 720376843 /nfs/dbraw/zinc/37/68/43/720376843.db2.gz KUKJUOBNBWCXDA-UHFFFAOYSA-N 2 2 484.670 2.634 20 0 JFADLP O=C(c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164729729 720572018 /nfs/dbraw/zinc/57/20/18/720572018.db2.gz UHXZWJOZLKXYJL-UHFFFAOYSA-N 2 2 499.663 2.895 20 0 JFADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751075 720853539 /nfs/dbraw/zinc/85/35/39/720853539.db2.gz PYZZWOFOBMWQOW-DMTNHVFBSA-N 2 2 499.667 2.774 20 0 JFADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751075 720853541 /nfs/dbraw/zinc/85/35/41/720853541.db2.gz PYZZWOFOBMWQOW-DMTNHVFBSA-N 2 2 499.667 2.774 20 0 JFADLP CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3ccc[nH+]c3)c12 ZINC001164756013 720882640 /nfs/dbraw/zinc/88/26/40/720882640.db2.gz OCNXPTJFVPQAGH-CJFMBICVSA-N 2 2 496.637 2.512 20 0 JFADLP CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3ccc[nH+]c3)c12 ZINC001164756013 720882642 /nfs/dbraw/zinc/88/26/42/720882642.db2.gz OCNXPTJFVPQAGH-CJFMBICVSA-N 2 2 496.637 2.512 20 0 JFADLP CC(C)CN1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164756514 720971026 /nfs/dbraw/zinc/97/10/26/720971026.db2.gz JRTJPUCUQZZQIL-FGZHOGPDSA-N 2 2 499.681 2.910 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164774101 721134218 /nfs/dbraw/zinc/13/42/18/721134218.db2.gz ZURVDPAGWBHRLT-MOPGFXCFSA-N 2 2 451.575 2.670 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164774101 721134225 /nfs/dbraw/zinc/13/42/25/721134225.db2.gz ZURVDPAGWBHRLT-MOPGFXCFSA-N 2 2 451.575 2.670 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164773396 721211143 /nfs/dbraw/zinc/21/11/43/721211143.db2.gz WYKGXPNLFISIFE-VXKWHMMOSA-N 2 2 476.604 2.634 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164773396 721211150 /nfs/dbraw/zinc/21/11/50/721211150.db2.gz WYKGXPNLFISIFE-VXKWHMMOSA-N 2 2 476.604 2.634 20 0 JFADLP CN(C)C1=[NH+]OC2(C1)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)CC2 ZINC001164876501 721325995 /nfs/dbraw/zinc/32/59/95/721325995.db2.gz IKHFOGQHARZKNW-GOSISDBHSA-N 2 2 472.634 2.515 20 0 JFADLP CN(C)C1=[NH+]OC2(C1)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)CC2 ZINC001164876501 721325997 /nfs/dbraw/zinc/32/59/97/721325997.db2.gz IKHFOGQHARZKNW-GOSISDBHSA-N 2 2 472.634 2.515 20 0 JFADLP CN(C)C1=[NH+]OC2(C1)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)CC2 ZINC001164876503 721326163 /nfs/dbraw/zinc/32/61/63/721326163.db2.gz IKHFOGQHARZKNW-SFHVURJKSA-N 2 2 472.634 2.515 20 0 JFADLP CN(C)C1=[NH+]OC2(C1)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)CC2 ZINC001164876503 721326168 /nfs/dbraw/zinc/32/61/68/721326168.db2.gz IKHFOGQHARZKNW-SFHVURJKSA-N 2 2 472.634 2.515 20 0 JFADLP Cc1nc(COC[C@@H]2Cn3nccc3CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)cs1 ZINC001164877830 721331909 /nfs/dbraw/zinc/33/19/09/721331909.db2.gz XJIQMVLXXYZGBN-IBGZPJMESA-N 2 2 453.616 2.648 20 0 JFADLP COc1cc2c[nH+]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2cc1OC ZINC001164913192 721796256 /nfs/dbraw/zinc/79/62/56/721796256.db2.gz AVJKGZTXFJOWME-RUZDIDTESA-N 2 2 450.539 2.755 20 0 JFADLP COc1cc2c[nH+]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2cc1OC ZINC001164913192 721796257 /nfs/dbraw/zinc/79/62/57/721796257.db2.gz AVJKGZTXFJOWME-RUZDIDTESA-N 2 2 450.539 2.755 20 0 JFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164961173 722054111 /nfs/dbraw/zinc/05/41/11/722054111.db2.gz UDEPGFPUCPUMHM-UHFFFAOYSA-N 2 2 450.543 2.649 20 0 JFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164961173 722054113 /nfs/dbraw/zinc/05/41/13/722054113.db2.gz UDEPGFPUCPUMHM-UHFFFAOYSA-N 2 2 450.543 2.649 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC001286891425 1061359969 /nfs/dbraw/zinc/35/99/69/1061359969.db2.gz XFGABRYYHSTOOM-LJQANCHMSA-N 2 2 459.664 2.510 20 0 JFADLP Cc1ccccc1-c1nnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290130605 1061865254 /nfs/dbraw/zinc/86/52/54/1061865254.db2.gz WUIIFLCKYGKKNH-QHCPKHFHSA-N 2 2 481.689 2.974 20 0 JFADLP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001290133243 1061866347 /nfs/dbraw/zinc/86/63/47/1061866347.db2.gz NXSJKMFOTKNQKC-QFIPXVFZSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001290133243 1061866369 /nfs/dbraw/zinc/86/63/69/1061866369.db2.gz NXSJKMFOTKNQKC-QFIPXVFZSA-N 2 2 456.635 2.521 20 0 JFADLP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001294693635 1062253067 /nfs/dbraw/zinc/25/30/67/1062253067.db2.gz OWYXBDJEJFJXSL-HXUWFJFHSA-N 2 2 468.650 2.705 20 0 JFADLP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001294693635 1062253088 /nfs/dbraw/zinc/25/30/88/1062253088.db2.gz OWYXBDJEJFJXSL-HXUWFJFHSA-N 2 2 468.650 2.705 20 0 JFADLP Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290521848 1062322163 /nfs/dbraw/zinc/32/21/63/1062322163.db2.gz BLRDJEZUMPITAF-UHFFFAOYSA-N 2 2 458.998 2.746 20 0 JFADLP Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290521848 1062322189 /nfs/dbraw/zinc/32/21/89/1062322189.db2.gz BLRDJEZUMPITAF-UHFFFAOYSA-N 2 2 458.998 2.746 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001290562475 1062363832 /nfs/dbraw/zinc/36/38/32/1062363832.db2.gz BLVIUMQBNZIBHM-OAQYLSRUSA-N 2 2 454.623 2.970 20 0 JFADLP Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001290714092 1062646356 /nfs/dbraw/zinc/64/63/56/1062646356.db2.gz UJORZGVYBWTVAW-LEWJYISDSA-N 2 2 462.664 2.515 20 0 JFADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC001290859875 1062744027 /nfs/dbraw/zinc/74/40/27/1062744027.db2.gz LBKUZPLBGGXPPA-AREMUKBSSA-N 2 2 450.627 2.638 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001287321361 1062797941 /nfs/dbraw/zinc/79/79/41/1062797941.db2.gz FXXKCWVSZZVFMP-LJQANCHMSA-N 2 2 450.031 2.738 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287328560 1062802601 /nfs/dbraw/zinc/80/26/01/1062802601.db2.gz HSMIUHYGCRIQOY-FCHUYYIVSA-N 2 2 484.693 2.773 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290970419 1062844683 /nfs/dbraw/zinc/84/46/83/1062844683.db2.gz QUCNZWQIHCWINA-NHCUHLMSSA-N 2 2 459.639 2.767 20 0 JFADLP CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001291066032 1063011507 /nfs/dbraw/zinc/01/15/07/1063011507.db2.gz ITTDDLFZTSIJQY-NBGIEHNGSA-N 2 2 468.650 2.648 20 0 JFADLP CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291066030 1063011691 /nfs/dbraw/zinc/01/16/91/1063011691.db2.gz ITTDDLFZTSIJQY-CJFMBICVSA-N 2 2 468.650 2.648 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295336815 1063260975 /nfs/dbraw/zinc/26/09/75/1063260975.db2.gz WTSXKTRXNMGCAD-QFIPXVFZSA-N 2 2 467.662 2.728 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295336815 1063260994 /nfs/dbraw/zinc/26/09/94/1063260994.db2.gz WTSXKTRXNMGCAD-QFIPXVFZSA-N 2 2 467.662 2.728 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186393 1063290120 /nfs/dbraw/zinc/29/01/20/1063290120.db2.gz DQYGFWKDFSQTJI-BFRACDOUSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186393 1063290137 /nfs/dbraw/zinc/29/01/37/1063290137.db2.gz DQYGFWKDFSQTJI-BFRACDOUSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](CCN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186393 1063290156 /nfs/dbraw/zinc/29/01/56/1063290156.db2.gz DQYGFWKDFSQTJI-BFRACDOUSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](CCN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186393 1063290177 /nfs/dbraw/zinc/29/01/77/1063290177.db2.gz DQYGFWKDFSQTJI-BFRACDOUSA-N 2 2 492.709 2.605 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187356 1063295913 /nfs/dbraw/zinc/29/59/13/1063295913.db2.gz SWARHOJBRZRRLR-FXELSEDVSA-N 2 2 462.683 2.979 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187356 1063295936 /nfs/dbraw/zinc/29/59/36/1063295936.db2.gz SWARHOJBRZRRLR-FXELSEDVSA-N 2 2 462.683 2.979 20 0 JFADLP C[C@@H]1C[NH+](CCN(C)c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187356 1063295958 /nfs/dbraw/zinc/29/59/58/1063295958.db2.gz SWARHOJBRZRRLR-FXELSEDVSA-N 2 2 462.683 2.979 20 0 JFADLP C[C@@H]1C[NH+](CCN(C)c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187356 1063295980 /nfs/dbraw/zinc/29/59/80/1063295980.db2.gz SWARHOJBRZRRLR-FXELSEDVSA-N 2 2 462.683 2.979 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[NH+]1CCOCC1 ZINC001295372104 1063338391 /nfs/dbraw/zinc/33/83/91/1063338391.db2.gz BHFMEMIKVXOCAI-HXUWFJFHSA-N 2 2 453.635 2.936 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373073 1063340398 /nfs/dbraw/zinc/34/03/98/1063340398.db2.gz XSLSVDXCJSNKFM-SFTDATJTSA-N 2 2 484.693 2.583 20 0 JFADLP CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295502851 1063537651 /nfs/dbraw/zinc/53/76/51/1063537651.db2.gz JDWDIUFUUNQKLF-NRFANRHFSA-N 2 2 467.662 2.610 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001295559108 1063591424 /nfs/dbraw/zinc/59/14/24/1063591424.db2.gz CEJLMBFRJJIYDT-HXUWFJFHSA-N 2 2 471.625 2.559 20 0 JFADLP C[C@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC001291308609 1063731318 /nfs/dbraw/zinc/73/13/18/1063731318.db2.gz PVLCKUXLJMNFFA-DEOSSOPVSA-N 2 2 497.732 2.841 20 0 JFADLP C[C@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC001291308609 1063731326 /nfs/dbraw/zinc/73/13/26/1063731326.db2.gz PVLCKUXLJMNFFA-DEOSSOPVSA-N 2 2 497.732 2.841 20 0 JFADLP C[C@H]1COCC[NH+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001291308609 1063731343 /nfs/dbraw/zinc/73/13/43/1063731343.db2.gz PVLCKUXLJMNFFA-DEOSSOPVSA-N 2 2 497.732 2.841 20 0 JFADLP C[C@H]1COCC[NH+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001291308609 1063731356 /nfs/dbraw/zinc/73/13/56/1063731356.db2.gz PVLCKUXLJMNFFA-DEOSSOPVSA-N 2 2 497.732 2.841 20 0 JFADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C[NH+](C)C ZINC001295750173 1063757041 /nfs/dbraw/zinc/75/70/41/1063757041.db2.gz UJGTZKCSMNSGOJ-NRFANRHFSA-N 2 2 482.677 2.955 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001291457310 1064023295 /nfs/dbraw/zinc/02/32/95/1064023295.db2.gz IWPROCPGDVXSSU-VWNXMTODSA-N 2 2 470.662 2.851 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291457310 1064023302 /nfs/dbraw/zinc/02/33/02/1064023302.db2.gz IWPROCPGDVXSSU-VWNXMTODSA-N 2 2 470.662 2.851 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001291458467 1064024778 /nfs/dbraw/zinc/02/47/78/1064024778.db2.gz HXAFJFWUZCHVDL-BESBDSHLSA-N 2 2 472.682 2.765 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001291458467 1064024786 /nfs/dbraw/zinc/02/47/86/1064024786.db2.gz HXAFJFWUZCHVDL-BESBDSHLSA-N 2 2 472.682 2.765 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001295997741 1064054158 /nfs/dbraw/zinc/05/41/58/1064054158.db2.gz RWGCZHBWZTZPIL-GIYDNNGJSA-N 2 2 475.588 2.729 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001295997741 1064054168 /nfs/dbraw/zinc/05/41/68/1064054168.db2.gz RWGCZHBWZTZPIL-GIYDNNGJSA-N 2 2 475.588 2.729 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296009759 1064066333 /nfs/dbraw/zinc/06/63/33/1064066333.db2.gz MXAZYXZPKWPDPF-FSSWDIPSSA-N 2 2 470.662 2.712 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296009759 1064066343 /nfs/dbraw/zinc/06/63/43/1064066343.db2.gz MXAZYXZPKWPDPF-FSSWDIPSSA-N 2 2 470.662 2.712 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296009759 1064066351 /nfs/dbraw/zinc/06/63/51/1064066351.db2.gz MXAZYXZPKWPDPF-FSSWDIPSSA-N 2 2 470.662 2.712 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296009759 1064066359 /nfs/dbraw/zinc/06/63/59/1064066359.db2.gz MXAZYXZPKWPDPF-FSSWDIPSSA-N 2 2 470.662 2.712 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291572789 1064099056 /nfs/dbraw/zinc/09/90/56/1064099056.db2.gz PBJHDEQKHOYFST-SMIHKQSGSA-N 2 2 475.726 2.614 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001291572789 1064099060 /nfs/dbraw/zinc/09/90/60/1064099060.db2.gz PBJHDEQKHOYFST-SMIHKQSGSA-N 2 2 475.726 2.614 20 0 JFADLP CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296062635 1064128293 /nfs/dbraw/zinc/12/82/93/1064128293.db2.gz TYAFTVKRJFILLH-CTNGQTDRSA-N 2 2 460.598 2.810 20 0 JFADLP CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296062635 1064128297 /nfs/dbraw/zinc/12/82/97/1064128297.db2.gz TYAFTVKRJFILLH-CTNGQTDRSA-N 2 2 460.598 2.810 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291602115 1064137554 /nfs/dbraw/zinc/13/75/54/1064137554.db2.gz JFOSUWXGYCKYRG-QZTJIDSGSA-N 2 2 454.627 2.525 20 0 JFADLP CC[C@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291602117 1064137840 /nfs/dbraw/zinc/13/78/40/1064137840.db2.gz JFOSUWXGYCKYRG-ZWKOTPCHSA-N 2 2 454.627 2.525 20 0 JFADLP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291620305 1064159303 /nfs/dbraw/zinc/15/93/03/1064159303.db2.gz INSQYUOXCKAABL-VXKWHMMOSA-N 2 2 461.699 2.507 20 0 JFADLP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291620305 1064159307 /nfs/dbraw/zinc/15/93/07/1064159307.db2.gz INSQYUOXCKAABL-VXKWHMMOSA-N 2 2 461.699 2.507 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291638954 1064186558 /nfs/dbraw/zinc/18/65/58/1064186558.db2.gz OAVOVHUUABREOJ-SFHVURJKSA-N 2 2 461.680 2.726 20 0 JFADLP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001296130963 1064224494 /nfs/dbraw/zinc/22/44/94/1064224494.db2.gz GXYQPKXXIQGINZ-RTWAWAEBSA-N 2 2 457.642 2.564 20 0 JFADLP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001296130963 1064224505 /nfs/dbraw/zinc/22/45/05/1064224505.db2.gz GXYQPKXXIQGINZ-RTWAWAEBSA-N 2 2 457.642 2.564 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291771366 1064253352 /nfs/dbraw/zinc/25/33/52/1064253352.db2.gz DJNASLHEVHCZAO-FGZHOGPDSA-N 2 2 482.677 2.512 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291771366 1064253362 /nfs/dbraw/zinc/25/33/62/1064253362.db2.gz DJNASLHEVHCZAO-FGZHOGPDSA-N 2 2 482.677 2.512 20 0 JFADLP CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296183532 1064328988 /nfs/dbraw/zinc/32/89/88/1064328988.db2.gz FAVJTJAIBYNBAV-JOCHJYFZSA-N 2 2 499.704 2.766 20 0 JFADLP CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)[NH+](C)C ZINC001291963546 1064577189 /nfs/dbraw/zinc/57/71/89/1064577189.db2.gz KRPVGRGJBVUYFT-QFIPXVFZSA-N 2 2 469.638 2.664 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292126916 1064878569 /nfs/dbraw/zinc/87/85/69/1064878569.db2.gz SJSAYCDSERIHCP-UHFFFAOYSA-N 2 2 491.725 2.866 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001292126916 1064878584 /nfs/dbraw/zinc/87/85/84/1064878584.db2.gz SJSAYCDSERIHCP-UHFFFAOYSA-N 2 2 491.725 2.866 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001292517646 1065239451 /nfs/dbraw/zinc/23/94/51/1065239451.db2.gz GSWFKVUGLOKLMR-UHFFFAOYSA-N 2 2 481.689 2.982 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001292517646 1065239460 /nfs/dbraw/zinc/23/94/60/1065239460.db2.gz GSWFKVUGLOKLMR-UHFFFAOYSA-N 2 2 481.689 2.982 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001292520451 1065245462 /nfs/dbraw/zinc/24/54/62/1065245462.db2.gz JSDSXBNLHBZYPY-NRFANRHFSA-N 2 2 470.662 2.775 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001292520451 1065245471 /nfs/dbraw/zinc/24/54/71/1065245471.db2.gz JSDSXBNLHBZYPY-NRFANRHFSA-N 2 2 470.662 2.775 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001292520451 1065245483 /nfs/dbraw/zinc/24/54/83/1065245483.db2.gz JSDSXBNLHBZYPY-NRFANRHFSA-N 2 2 470.662 2.775 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001292520451 1065245498 /nfs/dbraw/zinc/24/54/98/1065245498.db2.gz JSDSXBNLHBZYPY-NRFANRHFSA-N 2 2 470.662 2.775 20 0 JFADLP COc1cc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1OCC[NH+](C)C ZINC001292942318 1065627685 /nfs/dbraw/zinc/62/76/85/1065627685.db2.gz QCNHGKGBSHPWKR-IBGZPJMESA-N 2 2 458.578 2.602 20 0 JFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636928 /nfs/dbraw/zinc/63/69/28/1065636928.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 3 2 455.672 2.843 20 0 JFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636933 /nfs/dbraw/zinc/63/69/33/1065636933.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 3 2 455.672 2.843 20 0 JFADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636943 /nfs/dbraw/zinc/63/69/43/1065636943.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 3 2 455.672 2.843 20 0 JFADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636954 /nfs/dbraw/zinc/63/69/54/1065636954.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 3 2 455.672 2.843 20 0 JFADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001293022491 1065696255 /nfs/dbraw/zinc/69/62/55/1065696255.db2.gz ANBMYINGLOBSRG-BJKOFHAPSA-N 2 2 461.672 2.550 20 0 JFADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001293022491 1065696263 /nfs/dbraw/zinc/69/62/63/1065696263.db2.gz ANBMYINGLOBSRG-BJKOFHAPSA-N 2 2 461.672 2.550 20 0 JFADLP CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293137529 1065788081 /nfs/dbraw/zinc/78/80/81/1065788081.db2.gz PZKQCSFXLYIKOP-XMMPIXPASA-N 2 2 470.662 2.769 20 0 JFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210317 1065845839 /nfs/dbraw/zinc/84/58/39/1065845839.db2.gz BHXQKCOJUMCHMD-UZLBHIALSA-N 2 2 453.414 2.883 20 0 JFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210317 1065845849 /nfs/dbraw/zinc/84/58/49/1065845849.db2.gz BHXQKCOJUMCHMD-UZLBHIALSA-N 2 2 453.414 2.883 20 0 JFADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164431944 718968340 /nfs/dbraw/zinc/96/83/40/718968340.db2.gz CVMMIVSAJVMFJY-DHIUTWEWSA-N 2 2 475.515 2.556 20 0 JFADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164431944 718968344 /nfs/dbraw/zinc/96/83/44/718968344.db2.gz CVMMIVSAJVMFJY-DHIUTWEWSA-N 2 2 475.515 2.556 20 0 JFADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001164613900 719024446 /nfs/dbraw/zinc/02/44/46/719024446.db2.gz JEJYGVUDHHUQAY-UHFFFAOYSA-N 2 2 497.621 2.912 20 0 JFADLP c1ccc(C[N@H+]2CCc3c(ncnc3N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)C2)cc1 ZINC001164641688 719266656 /nfs/dbraw/zinc/26/66/56/719266656.db2.gz WEZWHZCNGSYYQB-UHFFFAOYSA-N 2 2 454.538 2.797 20 0 JFADLP c1ccc(C[N@@H+]2CCc3c(ncnc3N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)C2)cc1 ZINC001164641688 719266657 /nfs/dbraw/zinc/26/66/57/719266657.db2.gz WEZWHZCNGSYYQB-UHFFFAOYSA-N 2 2 454.538 2.797 20 0 JFADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708587 719933594 /nfs/dbraw/zinc/93/35/94/719933594.db2.gz LXPPJQKUZPRGOC-QFIPXVFZSA-N 2 2 465.646 2.702 20 0 JFADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708587 719933608 /nfs/dbraw/zinc/93/36/08/719933608.db2.gz LXPPJQKUZPRGOC-QFIPXVFZSA-N 2 2 465.646 2.702 20 0 JFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814783 720094917 /nfs/dbraw/zinc/09/49/17/720094917.db2.gz WPPWSJBCLMTLRL-NBGIEHNGSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814783 720094923 /nfs/dbraw/zinc/09/49/23/720094923.db2.gz WPPWSJBCLMTLRL-NBGIEHNGSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)C2 ZINC001164820171 720184208 /nfs/dbraw/zinc/18/42/08/720184208.db2.gz ZSDSTVKTMQTGLF-WNCULLNHSA-N 2 2 462.642 2.988 20 0 JFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)C2 ZINC001164820171 720184215 /nfs/dbraw/zinc/18/42/15/720184215.db2.gz ZSDSTVKTMQTGLF-WNCULLNHSA-N 2 2 462.642 2.988 20 0 JFADLP Cc1cc2c(nc[nH+]c2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1S(=O)(=O)c1ccccc1 ZINC001164732960 720556176 /nfs/dbraw/zinc/55/61/76/720556176.db2.gz HAOYCHUZFKJUDJ-UHFFFAOYSA-N 2 2 491.621 2.832 20 0 JFADLP CCc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(N2CCOCC2)[nH+]1 ZINC001164780648 721359185 /nfs/dbraw/zinc/35/91/85/721359185.db2.gz GCQWDYILIIHLGR-VWLOTQADSA-N 2 2 470.618 2.599 20 0 JFADLP CCc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(N2CCOCC2)[nH+]1 ZINC001164780648 721359190 /nfs/dbraw/zinc/35/91/90/721359190.db2.gz GCQWDYILIIHLGR-VWLOTQADSA-N 2 2 470.618 2.599 20 0 JFADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+]cnc4c2ccn4Cc2ccc(F)cc2)CC3)CC1 ZINC001164798324 721515201 /nfs/dbraw/zinc/51/52/01/721515201.db2.gz SACBWOKUPQSPQV-UHFFFAOYSA-N 2 2 460.561 2.583 20 0 JFADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(cc(C(=O)N(C)C)n3C3CCCC3)c[nH+]2)CC1 ZINC001165010141 721737729 /nfs/dbraw/zinc/73/77/29/721737729.db2.gz BVLIFJNDVZGHPK-UHFFFAOYSA-N 2 2 481.645 2.771 20 0 JFADLP COc1cc2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164915609 721785019 /nfs/dbraw/zinc/78/50/19/721785019.db2.gz LWVXZEBYAFQFAB-VWLOTQADSA-N 2 2 450.539 2.755 20 0 JFADLP COc1cc2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164915609 721785020 /nfs/dbraw/zinc/78/50/20/721785020.db2.gz LWVXZEBYAFQFAB-VWLOTQADSA-N 2 2 450.539 2.755 20 0 JFADLP CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294224588 1061734915 /nfs/dbraw/zinc/73/49/15/1061734915.db2.gz VFADCEJYHXOUBO-QFIPXVFZSA-N 2 2 482.677 2.513 20 0 JFADLP CCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294224588 1061734940 /nfs/dbraw/zinc/73/49/40/1061734940.db2.gz VFADCEJYHXOUBO-QFIPXVFZSA-N 2 2 482.677 2.513 20 0 JFADLP CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)CC1 ZINC001287041579 1062010003 /nfs/dbraw/zinc/01/00/03/1062010003.db2.gz MYQUJFJXZGTTHN-LJQANCHMSA-N 2 2 454.623 2.685 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)CC1 ZINC001294562298 1062079618 /nfs/dbraw/zinc/07/96/18/1062079618.db2.gz AAQMSODIQBRAHR-UHFFFAOYSA-N 2 2 456.034 2.639 20 0 JFADLP CCC[N@@H+]1CC[C@H](Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668772 1062224570 /nfs/dbraw/zinc/22/45/70/1062224570.db2.gz CMQBTBBZTQYQCK-XZOQPEGZSA-N 2 2 475.726 2.539 20 0 JFADLP CCC[N@H+]1CC[C@H](Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668772 1062224587 /nfs/dbraw/zinc/22/45/87/1062224587.db2.gz CMQBTBBZTQYQCK-XZOQPEGZSA-N 2 2 475.726 2.539 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)s1 ZINC001290496797 1062286680 /nfs/dbraw/zinc/28/66/80/1062286680.db2.gz TVMDADLMCVSQME-PMACEKPBSA-N 2 2 461.680 2.845 20 0 JFADLP CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161361 1062562834 /nfs/dbraw/zinc/56/28/34/1062562834.db2.gz MRKPTUFMZRLJAD-XJUOHMSHSA-N 2 2 490.718 2.833 20 0 JFADLP CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161361 1062562850 /nfs/dbraw/zinc/56/28/50/1062562850.db2.gz MRKPTUFMZRLJAD-XJUOHMSHSA-N 2 2 490.718 2.833 20 0 JFADLP CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001287216923 1062695184 /nfs/dbraw/zinc/69/51/84/1062695184.db2.gz WHECZYKHHLCHCR-NRFANRHFSA-N 2 2 459.683 2.656 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287328562 1062802870 /nfs/dbraw/zinc/80/28/70/1062802870.db2.gz HSMIUHYGCRIQOY-VXKWHMMOSA-N 2 2 484.693 2.773 20 0 JFADLP CC(C)Cc1nnc(N(C)CC[NH+]2CCOCC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001287374981 1062833305 /nfs/dbraw/zinc/83/33/05/1062833305.db2.gz RIWRBNPBUWBJHD-UHFFFAOYSA-N 2 2 450.697 2.607 20 0 JFADLP CC(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287410523 1062849592 /nfs/dbraw/zinc/84/95/92/1062849592.db2.gz CIIYIZWDMCSPBP-UHFFFAOYSA-N 2 2 476.710 2.916 20 0 JFADLP CC(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001287410523 1062849617 /nfs/dbraw/zinc/84/96/17/1062849617.db2.gz CIIYIZWDMCSPBP-UHFFFAOYSA-N 2 2 476.710 2.916 20 0 JFADLP CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001287464516 1062908345 /nfs/dbraw/zinc/90/83/45/1062908345.db2.gz CJIMHUHYKMAXKD-DHIUTWEWSA-N 2 2 473.710 2.732 20 0 JFADLP C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106690 1063094425 /nfs/dbraw/zinc/09/44/25/1063094425.db2.gz ZLMLZLFRUFBRIO-MSOLQXFVSA-N 2 2 494.482 2.925 20 0 JFADLP C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106690 1063094446 /nfs/dbraw/zinc/09/44/46/1063094446.db2.gz ZLMLZLFRUFBRIO-MSOLQXFVSA-N 2 2 494.482 2.925 20 0 JFADLP C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291106693 1063094522 /nfs/dbraw/zinc/09/45/22/1063094522.db2.gz ZLMLZLFRUFBRIO-ZWKOTPCHSA-N 2 2 494.482 2.925 20 0 JFADLP C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106693 1063094539 /nfs/dbraw/zinc/09/45/39/1063094539.db2.gz ZLMLZLFRUFBRIO-ZWKOTPCHSA-N 2 2 494.482 2.925 20 0 JFADLP CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141905 1063217341 /nfs/dbraw/zinc/21/73/41/1063217341.db2.gz VDRMMVUHOJPEAR-FGZHOGPDSA-N 2 2 459.683 2.655 20 0 JFADLP C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291143673 1063222961 /nfs/dbraw/zinc/22/29/61/1063222961.db2.gz AIWRRHMZVSULJK-YADHBBJMSA-N 2 2 494.750 2.859 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295337136 1063262224 /nfs/dbraw/zinc/26/22/24/1063262224.db2.gz CGRKZIMAOXPALH-HXUWFJFHSA-N 2 2 494.644 2.541 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295368946 1063333773 /nfs/dbraw/zinc/33/37/73/1063333773.db2.gz YSRWEYMGXKVGNO-FPOVZHCZSA-N 2 2 471.650 2.710 20 0 JFADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001295490936 1063520088 /nfs/dbraw/zinc/52/00/88/1063520088.db2.gz JYQDXUWJQQZMHE-UHFFFAOYSA-N 2 2 496.704 2.901 20 0 JFADLP CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001295501310 1063535363 /nfs/dbraw/zinc/53/53/63/1063535363.db2.gz XHYZBXSTYKKDJC-OFNKIYASSA-N 2 2 488.702 2.601 20 0 JFADLP CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC001295501310 1063535379 /nfs/dbraw/zinc/53/53/79/1063535379.db2.gz XHYZBXSTYKKDJC-OFNKIYASSA-N 2 2 488.702 2.601 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001295553258 1063586132 /nfs/dbraw/zinc/58/61/32/1063586132.db2.gz DDKWFPVHKBWFIW-NHCUHLMSSA-N 2 2 467.662 2.773 20 0 JFADLP C[C@@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC001291308610 1063730911 /nfs/dbraw/zinc/73/09/11/1063730911.db2.gz PVLCKUXLJMNFFA-XMMPIXPASA-N 2 2 497.732 2.841 20 0 JFADLP C[C@@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC001291308610 1063730924 /nfs/dbraw/zinc/73/09/24/1063730924.db2.gz PVLCKUXLJMNFFA-XMMPIXPASA-N 2 2 497.732 2.841 20 0 JFADLP C[C@@H]1COCC[NH+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001291308610 1063730936 /nfs/dbraw/zinc/73/09/36/1063730936.db2.gz PVLCKUXLJMNFFA-XMMPIXPASA-N 2 2 497.732 2.841 20 0 JFADLP C[C@@H]1COCC[NH+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001291308610 1063730948 /nfs/dbraw/zinc/73/09/48/1063730948.db2.gz PVLCKUXLJMNFFA-XMMPIXPASA-N 2 2 497.732 2.841 20 0 JFADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CC[N@H+]1CC=CCC1 ZINC001295749478 1063755927 /nfs/dbraw/zinc/75/59/27/1063755927.db2.gz RBHWWRGVNHRBPU-UHFFFAOYSA-N 2 2 480.661 2.816 20 0 JFADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001295749478 1063755939 /nfs/dbraw/zinc/75/59/39/1063755939.db2.gz RBHWWRGVNHRBPU-UHFFFAOYSA-N 2 2 480.661 2.816 20 0 JFADLP CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1)C(C)C ZINC001295836595 1063853151 /nfs/dbraw/zinc/85/31/51/1063853151.db2.gz BLWJXKHHVLYYMI-QFIPXVFZSA-N 2 2 456.683 2.619 20 0 JFADLP CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1)C(C)C ZINC001295836595 1063853164 /nfs/dbraw/zinc/85/31/64/1063853164.db2.gz BLWJXKHHVLYYMI-QFIPXVFZSA-N 2 2 456.683 2.619 20 0 JFADLP CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1)C(C)C ZINC001295836594 1063853315 /nfs/dbraw/zinc/85/33/15/1063853315.db2.gz BLWJXKHHVLYYMI-JOCHJYFZSA-N 2 2 456.683 2.619 20 0 JFADLP CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1)C(C)C ZINC001295836594 1063853330 /nfs/dbraw/zinc/85/33/30/1063853330.db2.gz BLWJXKHHVLYYMI-JOCHJYFZSA-N 2 2 456.683 2.619 20 0 JFADLP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(C)C ZINC001295845170 1063866136 /nfs/dbraw/zinc/86/61/36/1063866136.db2.gz JWLAYOZBRBYOJG-NRFANRHFSA-N 2 2 474.053 2.935 20 0 JFADLP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(C)C ZINC001295845170 1063866146 /nfs/dbraw/zinc/86/61/46/1063866146.db2.gz JWLAYOZBRBYOJG-NRFANRHFSA-N 2 2 474.053 2.935 20 0 JFADLP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001291457309 1064023418 /nfs/dbraw/zinc/02/34/18/1064023418.db2.gz IWPROCPGDVXSSU-UPVQGACJSA-N 2 2 470.662 2.851 20 0 JFADLP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291457309 1064023422 /nfs/dbraw/zinc/02/34/22/1064023422.db2.gz IWPROCPGDVXSSU-UPVQGACJSA-N 2 2 470.662 2.851 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296007646 1064061325 /nfs/dbraw/zinc/06/13/25/1064061325.db2.gz FMBJPCRNCGONAB-BHIFYINESA-N 2 2 456.635 2.539 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296007646 1064061332 /nfs/dbraw/zinc/06/13/32/1064061332.db2.gz FMBJPCRNCGONAB-BHIFYINESA-N 2 2 456.635 2.539 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296007646 1064061340 /nfs/dbraw/zinc/06/13/40/1064061340.db2.gz FMBJPCRNCGONAB-BHIFYINESA-N 2 2 456.635 2.539 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296007646 1064061350 /nfs/dbraw/zinc/06/13/50/1064061350.db2.gz FMBJPCRNCGONAB-BHIFYINESA-N 2 2 456.635 2.539 20 0 JFADLP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296009656 1064065777 /nfs/dbraw/zinc/06/57/77/1064065777.db2.gz IBWHAZZNPDLWJA-LEWJYISDSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296009656 1064065785 /nfs/dbraw/zinc/06/57/85/1064065785.db2.gz IBWHAZZNPDLWJA-LEWJYISDSA-N 2 2 486.661 2.895 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291524096 1064074677 /nfs/dbraw/zinc/07/46/77/1064074677.db2.gz GBYKPACWKSLYOR-KNQAVFIVSA-N 2 2 482.677 2.758 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291524096 1064074684 /nfs/dbraw/zinc/07/46/84/1064074684.db2.gz GBYKPACWKSLYOR-KNQAVFIVSA-N 2 2 482.677 2.758 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001296017307 1064079109 /nfs/dbraw/zinc/07/91/09/1064079109.db2.gz XWWIQENSQBOMPE-RTWAWAEBSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001296017307 1064079117 /nfs/dbraw/zinc/07/91/17/1064079117.db2.gz XWWIQENSQBOMPE-RTWAWAEBSA-N 2 2 486.661 2.895 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC001296017307 1064079123 /nfs/dbraw/zinc/07/91/23/1064079123.db2.gz XWWIQENSQBOMPE-RTWAWAEBSA-N 2 2 486.661 2.895 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC001296017307 1064079132 /nfs/dbraw/zinc/07/91/32/1064079132.db2.gz XWWIQENSQBOMPE-RTWAWAEBSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001296017306 1064079192 /nfs/dbraw/zinc/07/91/92/1064079192.db2.gz XWWIQENSQBOMPE-NHCUHLMSSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001296017306 1064079201 /nfs/dbraw/zinc/07/92/01/1064079201.db2.gz XWWIQENSQBOMPE-NHCUHLMSSA-N 2 2 486.661 2.895 20 0 JFADLP CC[NH+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC001296017306 1064079206 /nfs/dbraw/zinc/07/92/06/1064079206.db2.gz XWWIQENSQBOMPE-NHCUHLMSSA-N 2 2 486.661 2.895 20 0 JFADLP CC[NH+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC001296017306 1064079216 /nfs/dbraw/zinc/07/92/16/1064079216.db2.gz XWWIQENSQBOMPE-NHCUHLMSSA-N 2 2 486.661 2.895 20 0 JFADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC001291634781 1064183765 /nfs/dbraw/zinc/18/37/65/1064183765.db2.gz ITSYMAPJENQDGU-QFIPXVFZSA-N 2 2 453.587 2.707 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296132589 1064230684 /nfs/dbraw/zinc/23/06/84/1064230684.db2.gz BTEOZPHXMRLWLR-ZLNRFVROSA-N 2 2 499.704 2.811 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296132589 1064230690 /nfs/dbraw/zinc/23/06/90/1064230690.db2.gz BTEOZPHXMRLWLR-ZLNRFVROSA-N 2 2 499.704 2.811 20 0 JFADLP CC[NH+]1CCN([C@H](C)Cn2c(N3CC[NH+](Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134927 1064237504 /nfs/dbraw/zinc/23/75/04/1064237504.db2.gz SRWWPKFJUKGMNW-LJQANCHMSA-N 2 2 474.723 2.689 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291765332 1064245800 /nfs/dbraw/zinc/24/58/00/1064245800.db2.gz LAPLMFHGBUMHOD-YADHBBJMSA-N 2 2 497.688 2.817 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291765332 1064245805 /nfs/dbraw/zinc/24/58/05/1064245805.db2.gz LAPLMFHGBUMHOD-YADHBBJMSA-N 2 2 497.688 2.817 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291771368 1064253383 /nfs/dbraw/zinc/25/33/83/1064253383.db2.gz DJNASLHEVHCZAO-VXKWHMMOSA-N 2 2 482.677 2.512 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291771368 1064253389 /nfs/dbraw/zinc/25/33/89/1064253389.db2.gz DJNASLHEVHCZAO-VXKWHMMOSA-N 2 2 482.677 2.512 20 0 JFADLP CCN1CC[NH+](CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296202521 1064378038 /nfs/dbraw/zinc/37/80/38/1064378038.db2.gz FATPKOPTIZZLHZ-UHFFFAOYSA-N 2 2 496.704 2.705 20 0 JFADLP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291955682 1064570515 /nfs/dbraw/zinc/57/05/15/1064570515.db2.gz ZSNKDISJYVDZJS-IRLDBZIGSA-N 2 2 461.699 2.901 20 0 JFADLP CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)[NH+](C)C ZINC001291973034 1064587508 /nfs/dbraw/zinc/58/75/08/1064587508.db2.gz DVIQETLGVMJRLY-JOCHJYFZSA-N 2 2 482.677 2.791 20 0 JFADLP CCC(CC)[C@H](Cn1c(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001291977894 1064593591 /nfs/dbraw/zinc/59/35/91/1064593591.db2.gz KNIXVAKNGWLUKY-MZYLBHOOSA-N 2 2 476.710 2.870 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001292018729 1064654789 /nfs/dbraw/zinc/65/47/89/1064654789.db2.gz YIXOGHBBFFMDDC-ZTCOLXNVSA-N 2 2 497.688 2.656 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292090493 1064775125 /nfs/dbraw/zinc/77/51/25/1064775125.db2.gz PEPXAXSBUNBUHT-NRFANRHFSA-N 2 2 468.650 2.770 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001292115897 1064835086 /nfs/dbraw/zinc/83/50/86/1064835086.db2.gz NDKHNVLYXJPGAU-NRFANRHFSA-N 2 2 468.650 2.793 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001292115897 1064835097 /nfs/dbraw/zinc/83/50/97/1064835097.db2.gz NDKHNVLYXJPGAU-NRFANRHFSA-N 2 2 468.650 2.793 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001292517860 1065239929 /nfs/dbraw/zinc/23/99/29/1065239929.db2.gz JNQWLUXCVQGMHT-DEOSSOPVSA-N 2 2 481.689 2.982 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001292517860 1065239937 /nfs/dbraw/zinc/23/99/37/1065239937.db2.gz JNQWLUXCVQGMHT-DEOSSOPVSA-N 2 2 481.689 2.982 20 0 JFADLP CN(C(=O)C1(Sc2ccccc2)CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292912794 1065603487 /nfs/dbraw/zinc/60/34/87/1065603487.db2.gz RPZMRCPLDONRMM-UHFFFAOYSA-N 2 2 458.672 2.788 20 0 JFADLP CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292920882 1065606608 /nfs/dbraw/zinc/60/66/08/1065606608.db2.gz QKQATHSLNYRVMV-ZJVMWOEPSA-N 2 2 456.631 2.574 20 0 JFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958747 1065636271 /nfs/dbraw/zinc/63/62/71/1065636271.db2.gz ORTGGUHRBYYUEO-XMMPIXPASA-N 2 2 452.599 2.738 20 0 JFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958747 1065636275 /nfs/dbraw/zinc/63/62/75/1065636275.db2.gz ORTGGUHRBYYUEO-XMMPIXPASA-N 2 2 452.599 2.738 20 0 JFADLP CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001293066222 1065717215 /nfs/dbraw/zinc/71/72/15/1065717215.db2.gz DHKAZLHPORCSBY-UHFFFAOYSA-N 2 2 496.635 2.903 20 0 JFADLP CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001293066222 1065717227 /nfs/dbraw/zinc/71/72/27/1065717227.db2.gz DHKAZLHPORCSBY-UHFFFAOYSA-N 2 2 496.635 2.903 20 0 JFADLP CCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293123816 1065776642 /nfs/dbraw/zinc/77/66/42/1065776642.db2.gz MMAHONCQQRBXOG-HSZRJFAPSA-N 2 2 453.679 2.745 20 0 JFADLP CCC[C@H]1CN(c2nnc(C3CCCC3)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001294081759 1066550005 /nfs/dbraw/zinc/55/00/05/1066550005.db2.gz OQJPPRJMNJQLQX-QHCPKHFHSA-N 2 2 475.726 2.899 20 0 JFADLP CCC[C@H]1CN(c2nnc(C3CCCC3)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001294081759 1066550021 /nfs/dbraw/zinc/55/00/21/1066550021.db2.gz OQJPPRJMNJQLQX-QHCPKHFHSA-N 2 2 475.726 2.899 20 0 JFADLP CCC[C@H]1CN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001294081759 1066550035 /nfs/dbraw/zinc/55/00/35/1066550035.db2.gz OQJPPRJMNJQLQX-QHCPKHFHSA-N 2 2 475.726 2.899 20 0 JFADLP CCC[C@H]1CN(c2nnc(C3CCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001294081759 1066550052 /nfs/dbraw/zinc/55/00/52/1066550052.db2.gz OQJPPRJMNJQLQX-QHCPKHFHSA-N 2 2 475.726 2.899 20 0 JFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c2c1C ZINC001164409898 718864407 /nfs/dbraw/zinc/86/44/07/718864407.db2.gz VGQYHPDZUCNRIP-ROUUACIJSA-N 2 2 473.643 2.977 20 0 JFADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)cc1 ZINC001164679298 719528808 /nfs/dbraw/zinc/52/88/08/719528808.db2.gz XGLRXQYSBWETRV-UHFFFAOYSA-N 2 2 455.578 2.866 20 0 JFADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)cc1 ZINC001164679298 719528821 /nfs/dbraw/zinc/52/88/21/719528821.db2.gz XGLRXQYSBWETRV-UHFFFAOYSA-N 2 2 455.578 2.866 20 0 JFADLP CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164677471 719564294 /nfs/dbraw/zinc/56/42/94/719564294.db2.gz NYUGNXQWOLFRTJ-SFHVURJKSA-N 2 2 493.612 2.676 20 0 JFADLP CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164677471 719564302 /nfs/dbraw/zinc/56/43/02/719564302.db2.gz NYUGNXQWOLFRTJ-SFHVURJKSA-N 2 2 493.612 2.676 20 0 JFADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)c2ccccc21 ZINC001164681886 719673294 /nfs/dbraw/zinc/67/32/94/719673294.db2.gz OAPRBKILVPGGHR-QHCPKHFHSA-N 3 2 490.696 2.927 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CCC4(CCn5c(-c6ccc(C(N)=O)cc6)cnc54)CC3)[nH+]2)CC1 ZINC001164698097 719829955 /nfs/dbraw/zinc/82/99/55/719829955.db2.gz QANJQELSHCXMFG-UHFFFAOYSA-N 2 2 471.609 2.738 20 0 JFADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164709352 719912849 /nfs/dbraw/zinc/91/28/49/719912849.db2.gz UDOINZPSNDEUCH-UHFFFAOYSA-N 2 2 469.593 2.768 20 0 JFADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164708588 719928805 /nfs/dbraw/zinc/92/88/05/719928805.db2.gz LXSHTBVKGMKYNY-UHFFFAOYSA-N 2 2 459.598 2.519 20 0 JFADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164713609 720140408 /nfs/dbraw/zinc/14/04/08/720140408.db2.gz STSLRAVARLMBBT-HSZRJFAPSA-N 2 2 492.672 2.975 20 0 JFADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164713609 720140422 /nfs/dbraw/zinc/14/04/22/720140422.db2.gz STSLRAVARLMBBT-HSZRJFAPSA-N 2 2 492.672 2.975 20 0 JFADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164713609 720140430 /nfs/dbraw/zinc/14/04/30/720140430.db2.gz STSLRAVARLMBBT-HSZRJFAPSA-N 2 2 492.672 2.975 20 0 JFADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164713609 720140438 /nfs/dbraw/zinc/14/04/38/720140438.db2.gz STSLRAVARLMBBT-HSZRJFAPSA-N 2 2 492.672 2.975 20 0 JFADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CCC2 ZINC001164813276 720214987 /nfs/dbraw/zinc/21/49/87/720214987.db2.gz NXPWXESICJAEIH-UHFFFAOYSA-N 2 2 473.625 2.842 20 0 JFADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CCC2 ZINC001164813276 720214996 /nfs/dbraw/zinc/21/49/96/720214996.db2.gz NXPWXESICJAEIH-UHFFFAOYSA-N 2 2 473.625 2.842 20 0 JFADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CCC2 ZINC001164813276 720215004 /nfs/dbraw/zinc/21/50/04/720215004.db2.gz NXPWXESICJAEIH-UHFFFAOYSA-N 2 2 473.625 2.842 20 0 JFADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CCC2 ZINC001164813276 720215010 /nfs/dbraw/zinc/21/50/10/720215010.db2.gz NXPWXESICJAEIH-UHFFFAOYSA-N 2 2 473.625 2.842 20 0 JFADLP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)[nH+]cc21 ZINC001164819258 720378436 /nfs/dbraw/zinc/37/84/36/720378436.db2.gz ATNZVZFFMFXPOG-UHFFFAOYSA-N 2 2 482.610 2.818 20 0 JFADLP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)[nH+]cc21 ZINC001164819258 720378442 /nfs/dbraw/zinc/37/84/42/720378442.db2.gz ATNZVZFFMFXPOG-UHFFFAOYSA-N 2 2 482.610 2.818 20 0 JFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2=O)cs1 ZINC001164824260 720385954 /nfs/dbraw/zinc/38/59/54/720385954.db2.gz QPSGXBZJQSMACE-UHFFFAOYSA-N 2 2 484.670 2.538 20 0 JFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2=O)cs1 ZINC001164824260 720385958 /nfs/dbraw/zinc/38/59/58/720385958.db2.gz QPSGXBZJQSMACE-UHFFFAOYSA-N 2 2 484.670 2.538 20 0 JFADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC2)C1 ZINC001164872455 721275133 /nfs/dbraw/zinc/27/51/33/721275133.db2.gz DKBSLZIACQSILE-UHFFFAOYSA-N 2 2 480.588 2.626 20 0 JFADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC2)C1 ZINC001164872455 721275137 /nfs/dbraw/zinc/27/51/37/721275137.db2.gz DKBSLZIACQSILE-UHFFFAOYSA-N 2 2 480.588 2.626 20 0 JFADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164789501 721466869 /nfs/dbraw/zinc/46/68/69/721466869.db2.gz NGDFEJQKORTVGK-HSZRJFAPSA-N 2 2 499.704 2.806 20 0 JFADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164789501 721466873 /nfs/dbraw/zinc/46/68/73/721466873.db2.gz NGDFEJQKORTVGK-HSZRJFAPSA-N 2 2 499.704 2.806 20 0 JFADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164789501 721466877 /nfs/dbraw/zinc/46/68/77/721466877.db2.gz NGDFEJQKORTVGK-HSZRJFAPSA-N 2 2 499.704 2.806 20 0 JFADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164789501 721466882 /nfs/dbraw/zinc/46/68/82/721466882.db2.gz NGDFEJQKORTVGK-HSZRJFAPSA-N 2 2 499.704 2.806 20 0 JFADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164788776 721470123 /nfs/dbraw/zinc/47/01/23/721470123.db2.gz KKCQXPCXFBANON-NRFANRHFSA-N 2 2 461.676 2.764 20 0 JFADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164788776 721470124 /nfs/dbraw/zinc/47/01/24/721470124.db2.gz KKCQXPCXFBANON-NRFANRHFSA-N 2 2 461.676 2.764 20 0 JFADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164788776 721470125 /nfs/dbraw/zinc/47/01/25/721470125.db2.gz KKCQXPCXFBANON-NRFANRHFSA-N 2 2 461.676 2.764 20 0 JFADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164788776 721470126 /nfs/dbraw/zinc/47/01/26/721470126.db2.gz KKCQXPCXFBANON-NRFANRHFSA-N 2 2 461.676 2.764 20 0 JFADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)cc1 ZINC001165012871 721749140 /nfs/dbraw/zinc/74/91/40/721749140.db2.gz PZWQWSMTKWCPBU-UHFFFAOYSA-N 2 2 452.603 2.645 20 0 JFADLP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001289931072 1061622349 /nfs/dbraw/zinc/62/23/49/1061622349.db2.gz GIZRWCLIVJSZFP-QFIPXVFZSA-N 2 2 463.630 2.937 20 0 JFADLP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001289931072 1061622361 /nfs/dbraw/zinc/62/23/61/1061622361.db2.gz GIZRWCLIVJSZFP-QFIPXVFZSA-N 2 2 463.630 2.937 20 0 JFADLP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001289932201 1061625811 /nfs/dbraw/zinc/62/58/11/1061625811.db2.gz SCFQRTJCMMHZSH-QHCPKHFHSA-N 2 2 467.593 2.859 20 0 JFADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001286972323 1061752957 /nfs/dbraw/zinc/75/29/57/1061752957.db2.gz QRCDGZGVVUQKGZ-OAQYLSRUSA-N 2 2 473.710 2.973 20 0 JFADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001286972323 1061752971 /nfs/dbraw/zinc/75/29/71/1061752971.db2.gz QRCDGZGVVUQKGZ-OAQYLSRUSA-N 2 2 473.710 2.973 20 0 JFADLP Cc1nc(N2CCN(c3nnc(CCOc4ccccc4)n3CC(C)(C)C[NH+](C)C)CC2)cc[nH+]1 ZINC001290502030 1062296921 /nfs/dbraw/zinc/29/69/21/1062296921.db2.gz VKFYNPNCNXXDQY-UHFFFAOYSA-N 2 2 478.645 2.912 20 0 JFADLP Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001290514636 1062313445 /nfs/dbraw/zinc/31/34/45/1062313445.db2.gz AADXZGWQZFXKJI-UHFFFAOYSA-N 2 2 453.639 2.908 20 0 JFADLP Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001290514636 1062313468 /nfs/dbraw/zinc/31/34/68/1062313468.db2.gz AADXZGWQZFXKJI-UHFFFAOYSA-N 2 2 453.639 2.908 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001290562474 1062363893 /nfs/dbraw/zinc/36/38/93/1062363893.db2.gz BLVIUMQBNZIBHM-NRFANRHFSA-N 2 2 454.623 2.970 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001290563297 1062365623 /nfs/dbraw/zinc/36/56/23/1062365623.db2.gz MABJHJSBHAMWPF-OYRHEFFESA-N 2 2 486.709 2.648 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001290563297 1062365644 /nfs/dbraw/zinc/36/56/44/1062365644.db2.gz MABJHJSBHAMWPF-OYRHEFFESA-N 2 2 486.709 2.648 20 0 JFADLP CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329178 1062805004 /nfs/dbraw/zinc/80/50/04/1062805004.db2.gz RTRJEACWAUDNSP-LOSJGSFVSA-N 2 2 498.720 2.548 20 0 JFADLP CC(C)C[C@H](Cn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339376 1062817016 /nfs/dbraw/zinc/81/70/16/1062817016.db2.gz UWJDZSFYOLHHJZ-LEWJYISDSA-N 2 2 461.699 2.685 20 0 JFADLP CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287375243 1062834257 /nfs/dbraw/zinc/83/42/57/1062834257.db2.gz ZHFZPQIHJLTUMY-UHFFFAOYSA-N 2 2 483.705 2.846 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291187357 1063295658 /nfs/dbraw/zinc/29/56/58/1063295658.db2.gz SWARHOJBRZRRLR-PLACYPQZSA-N 2 2 462.683 2.979 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291187357 1063295685 /nfs/dbraw/zinc/29/56/85/1063295685.db2.gz SWARHOJBRZRRLR-PLACYPQZSA-N 2 2 462.683 2.979 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001295376954 1063346309 /nfs/dbraw/zinc/34/63/09/1063346309.db2.gz QWMHLXPKLLURCK-LADGPHEKSA-N 2 2 475.726 2.897 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295378567 1063348659 /nfs/dbraw/zinc/34/86/59/1063348659.db2.gz GWCBHTVWOAWHMJ-SFTDATJTSA-N 2 2 461.699 2.730 20 0 JFADLP CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)c[nH+]1 ZINC001295414555 1063418033 /nfs/dbraw/zinc/41/80/33/1063418033.db2.gz ZSMCFZVOHOYJBX-HXUWFJFHSA-N 2 2 464.618 2.787 20 0 JFADLP CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c[nH+]1 ZINC001295414555 1063418042 /nfs/dbraw/zinc/41/80/42/1063418042.db2.gz ZSMCFZVOHOYJBX-HXUWFJFHSA-N 2 2 464.618 2.787 20 0 JFADLP C[C@@H]1C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291291104 1063666475 /nfs/dbraw/zinc/66/64/75/1063666475.db2.gz KFGCGKBIOYZYDQ-YPAWHYETSA-N 2 2 478.682 2.566 20 0 JFADLP C[C@@H]1C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291291104 1063666488 /nfs/dbraw/zinc/66/64/88/1063666488.db2.gz KFGCGKBIOYZYDQ-YPAWHYETSA-N 2 2 478.682 2.566 20 0 JFADLP CC[N@H+](CCn1c(C(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CCC(F)(F)F ZINC001295819508 1063824235 /nfs/dbraw/zinc/82/42/35/1063824235.db2.gz OQPPXBWPJPEJRD-UHFFFAOYSA-N 2 2 494.570 2.679 20 0 JFADLP CC[N@@H+](CCn1c(C(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CCC(F)(F)F ZINC001295819508 1063824243 /nfs/dbraw/zinc/82/42/43/1063824243.db2.gz OQPPXBWPJPEJRD-UHFFFAOYSA-N 2 2 494.570 2.679 20 0 JFADLP CC[N@H+](CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)CCC(F)(F)F ZINC001295841307 1063859768 /nfs/dbraw/zinc/85/97/68/1063859768.db2.gz ALUCULOFJPZRPN-UHFFFAOYSA-N 2 2 493.538 2.628 20 0 JFADLP CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)CCC(F)(F)F ZINC001295841307 1063859772 /nfs/dbraw/zinc/85/97/72/1063859772.db2.gz ALUCULOFJPZRPN-UHFFFAOYSA-N 2 2 493.538 2.628 20 0 JFADLP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001291457087 1064023371 /nfs/dbraw/zinc/02/33/71/1064023371.db2.gz DSKBJGZDGPJFAE-NRFANRHFSA-N 2 2 470.662 2.565 20 0 JFADLP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1c[nH+]ccc1OC ZINC001291470125 1064030124 /nfs/dbraw/zinc/03/01/24/1064030124.db2.gz LTLORUPFHLBZCT-JQVVWYNYSA-N 2 2 469.634 2.622 20 0 JFADLP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1c[nH+]ccc1OC ZINC001291470125 1064030131 /nfs/dbraw/zinc/03/01/31/1064030131.db2.gz LTLORUPFHLBZCT-JQVVWYNYSA-N 2 2 469.634 2.622 20 0 JFADLP CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001295990983 1064045384 /nfs/dbraw/zinc/04/53/84/1064045384.db2.gz ONYNPHDASSBFLQ-DNQXCXABSA-N 2 2 456.631 2.988 20 0 JFADLP CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001295990983 1064045392 /nfs/dbraw/zinc/04/53/92/1064045392.db2.gz ONYNPHDASSBFLQ-DNQXCXABSA-N 2 2 456.631 2.988 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296007648 1064061234 /nfs/dbraw/zinc/06/12/34/1064061234.db2.gz FMBJPCRNCGONAB-FKBYEOEOSA-N 2 2 456.635 2.539 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296007648 1064061239 /nfs/dbraw/zinc/06/12/39/1064061239.db2.gz FMBJPCRNCGONAB-FKBYEOEOSA-N 2 2 456.635 2.539 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296007648 1064061248 /nfs/dbraw/zinc/06/12/48/1064061248.db2.gz FMBJPCRNCGONAB-FKBYEOEOSA-N 2 2 456.635 2.539 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296007648 1064061259 /nfs/dbraw/zinc/06/12/59/1064061259.db2.gz FMBJPCRNCGONAB-FKBYEOEOSA-N 2 2 456.635 2.539 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296009757 1064066552 /nfs/dbraw/zinc/06/65/52/1064066552.db2.gz MXAZYXZPKWPDPF-FDFHNCONSA-N 2 2 470.662 2.712 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296009757 1064066562 /nfs/dbraw/zinc/06/65/62/1064066562.db2.gz MXAZYXZPKWPDPF-FDFHNCONSA-N 2 2 470.662 2.712 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296009757 1064066572 /nfs/dbraw/zinc/06/65/72/1064066572.db2.gz MXAZYXZPKWPDPF-FDFHNCONSA-N 2 2 470.662 2.712 20 0 JFADLP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296009757 1064066581 /nfs/dbraw/zinc/06/65/81/1064066581.db2.gz MXAZYXZPKWPDPF-FDFHNCONSA-N 2 2 470.662 2.712 20 0 JFADLP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001296130964 1064224729 /nfs/dbraw/zinc/22/47/29/1064224729.db2.gz GXYQPKXXIQGINZ-SFTDATJTSA-N 2 2 457.642 2.564 20 0 JFADLP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001296130964 1064224741 /nfs/dbraw/zinc/22/47/41/1064224741.db2.gz GXYQPKXXIQGINZ-SFTDATJTSA-N 2 2 457.642 2.564 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001291767892 1064249877 /nfs/dbraw/zinc/24/98/77/1064249877.db2.gz OWSAJQKNDUVKPV-RTWAWAEBSA-N 2 2 467.662 2.773 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001291767892 1064249887 /nfs/dbraw/zinc/24/98/87/1064249887.db2.gz OWSAJQKNDUVKPV-RTWAWAEBSA-N 2 2 467.662 2.773 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291774050 1064260742 /nfs/dbraw/zinc/26/07/42/1064260742.db2.gz KTZMIQFRAPDRLS-VWNXMTODSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291774050 1064260746 /nfs/dbraw/zinc/26/07/46/1064260746.db2.gz KTZMIQFRAPDRLS-VWNXMTODSA-N 2 2 475.726 2.897 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001296165398 1064284806 /nfs/dbraw/zinc/28/48/06/1064284806.db2.gz ISALREGYPKPTAE-YLJYHZDGSA-N 2 2 475.588 2.512 20 0 JFADLP CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001296165398 1064284814 /nfs/dbraw/zinc/28/48/14/1064284814.db2.gz ISALREGYPKPTAE-YLJYHZDGSA-N 2 2 475.588 2.512 20 0 JFADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccn4)n3CC[N@H+](CC)CCC(F)(F)F)C2)CC1 ZINC001296181315 1064315007 /nfs/dbraw/zinc/31/50/07/1064315007.db2.gz VPQGANCMQAXUEN-HXUWFJFHSA-N 2 2 494.610 2.831 20 0 JFADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccn4)n3CC[N@@H+](CC)CCC(F)(F)F)C2)CC1 ZINC001296181315 1064315019 /nfs/dbraw/zinc/31/50/19/1064315019.db2.gz VPQGANCMQAXUEN-HXUWFJFHSA-N 2 2 494.610 2.831 20 0 JFADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463562 1065192884 /nfs/dbraw/zinc/19/28/84/1065192884.db2.gz XJZGXIHGVLFSRH-QPPBQGQZSA-N 2 2 481.689 2.839 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@H]2CCC[N@@H+]2CC)cc1 ZINC001292517862 1065239981 /nfs/dbraw/zinc/23/99/81/1065239981.db2.gz JNQWLUXCVQGMHT-XMMPIXPASA-N 2 2 481.689 2.982 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@H]2CCC[N@H+]2CC)cc1 ZINC001292517862 1065239994 /nfs/dbraw/zinc/23/99/94/1065239994.db2.gz JNQWLUXCVQGMHT-XMMPIXPASA-N 2 2 481.689 2.982 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001292518249 1065241860 /nfs/dbraw/zinc/24/18/60/1065241860.db2.gz OWAHIJLDKOMFMK-UHFFFAOYSA-N 2 2 467.662 2.594 20 0 JFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959106 1065637053 /nfs/dbraw/zinc/63/70/53/1065637053.db2.gz TXAIYHYQXRPBGO-FQEVSTJZSA-N 2 2 458.550 2.921 20 0 JFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959106 1065637060 /nfs/dbraw/zinc/63/70/60/1065637060.db2.gz TXAIYHYQXRPBGO-FQEVSTJZSA-N 2 2 458.550 2.921 20 0 JFADLP CCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293128117 1065779065 /nfs/dbraw/zinc/77/90/65/1065779065.db2.gz JWNSGYDAXIMYJT-QFIPXVFZSA-N 2 2 453.679 2.745 20 0 JFADLP CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293610716 1066126660 /nfs/dbraw/zinc/12/66/60/1066126660.db2.gz FTCASHQBMGHFBD-JOCHJYFZSA-N 2 2 488.652 2.666 20 0 JFADLP CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293610716 1066126662 /nfs/dbraw/zinc/12/66/62/1066126662.db2.gz FTCASHQBMGHFBD-JOCHJYFZSA-N 2 2 488.652 2.666 20 0 JFADLP CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293610716 1066126669 /nfs/dbraw/zinc/12/66/69/1066126669.db2.gz FTCASHQBMGHFBD-JOCHJYFZSA-N 2 2 488.652 2.666 20 0 JFADLP CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293610716 1066126673 /nfs/dbraw/zinc/12/66/73/1066126673.db2.gz FTCASHQBMGHFBD-JOCHJYFZSA-N 2 2 488.652 2.666 20 0 JFADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001293766103 1066254790 /nfs/dbraw/zinc/25/47/90/1066254790.db2.gz DWFMPHJCBDAUCT-RUZDIDTESA-N 2 2 450.627 2.649 20 0 JFADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164431949 718968286 /nfs/dbraw/zinc/96/82/86/718968286.db2.gz CVMMIVSAJVMFJY-PKTZIBPZSA-N 2 2 475.515 2.556 20 0 JFADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164431949 718968295 /nfs/dbraw/zinc/96/82/95/718968295.db2.gz CVMMIVSAJVMFJY-PKTZIBPZSA-N 2 2 475.515 2.556 20 0 JFADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164663434 719346007 /nfs/dbraw/zinc/34/60/07/719346007.db2.gz GTRYDFYSGUENIR-UHFFFAOYSA-N 2 2 472.641 2.923 20 0 JFADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164663434 719346010 /nfs/dbraw/zinc/34/60/10/719346010.db2.gz GTRYDFYSGUENIR-UHFFFAOYSA-N 2 2 472.641 2.923 20 0 JFADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164658561 719351986 /nfs/dbraw/zinc/35/19/86/719351986.db2.gz JCKLRGLJYPJCMY-UHFFFAOYSA-N 2 2 485.636 2.822 20 0 JFADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164658561 719351990 /nfs/dbraw/zinc/35/19/90/719351990.db2.gz JCKLRGLJYPJCMY-UHFFFAOYSA-N 2 2 485.636 2.822 20 0 JFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)C2 ZINC001164820166 720183737 /nfs/dbraw/zinc/18/37/37/720183737.db2.gz ZSDSTVKTMQTGLF-KCWPFWIISA-N 2 2 462.642 2.988 20 0 JFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)C2 ZINC001164820166 720183745 /nfs/dbraw/zinc/18/37/45/720183745.db2.gz ZSDSTVKTMQTGLF-KCWPFWIISA-N 2 2 462.642 2.988 20 0 JFADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729634 720565666 /nfs/dbraw/zinc/56/56/66/720565666.db2.gz RXJAAJULFFJADT-UHFFFAOYSA-N 2 2 451.575 2.833 20 0 JFADLP CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3ccc[nH+]c3)c12 ZINC001164756016 720882881 /nfs/dbraw/zinc/88/28/81/720882881.db2.gz OCNXPTJFVPQAGH-CPJSRVTESA-N 2 2 496.637 2.512 20 0 JFADLP CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3ccc[nH+]c3)c12 ZINC001164756016 720882882 /nfs/dbraw/zinc/88/28/82/720882882.db2.gz OCNXPTJFVPQAGH-CPJSRVTESA-N 2 2 496.637 2.512 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164753375 720896740 /nfs/dbraw/zinc/89/67/40/720896740.db2.gz GSGUFSYXERHFTF-NAKRPHOHSA-N 3 2 476.669 2.984 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164753375 720896741 /nfs/dbraw/zinc/89/67/41/720896741.db2.gz GSGUFSYXERHFTF-NAKRPHOHSA-N 3 2 476.669 2.984 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164753371 720896764 /nfs/dbraw/zinc/89/67/64/720896764.db2.gz GSGUFSYXERHFTF-LEAFIULHSA-N 3 2 476.669 2.984 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164753371 720896766 /nfs/dbraw/zinc/89/67/66/720896766.db2.gz GSGUFSYXERHFTF-LEAFIULHSA-N 3 2 476.669 2.984 20 0 JFADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164756587 720898204 /nfs/dbraw/zinc/89/82/04/720898204.db2.gz QRPGOPVOFRSBQG-HOFKKMOUSA-N 3 2 477.657 2.554 20 0 JFADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164756587 720898205 /nfs/dbraw/zinc/89/82/05/720898205.db2.gz QRPGOPVOFRSBQG-HOFKKMOUSA-N 3 2 477.657 2.554 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164774129 721134618 /nfs/dbraw/zinc/13/46/18/721134618.db2.gz ZURVDPAGWBHRLT-RBUKOAKNSA-N 2 2 451.575 2.670 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164774129 721134626 /nfs/dbraw/zinc/13/46/26/721134626.db2.gz ZURVDPAGWBHRLT-RBUKOAKNSA-N 2 2 451.575 2.670 20 0 JFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1 ZINC001164784067 721358060 /nfs/dbraw/zinc/35/80/60/721358060.db2.gz QGYAFUVPUYEJHW-RUZDIDTESA-N 3 2 454.619 2.557 20 0 JFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1 ZINC001164784067 721358069 /nfs/dbraw/zinc/35/80/69/721358069.db2.gz QGYAFUVPUYEJHW-RUZDIDTESA-N 3 2 454.619 2.557 20 0 JFADLP C[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007960 721691312 /nfs/dbraw/zinc/69/13/12/721691312.db2.gz HNPFCUJRVQTALJ-ZJCBTPCYSA-N 2 2 450.587 2.631 20 0 JFADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015563 721766161 /nfs/dbraw/zinc/76/61/61/721766161.db2.gz RAOUVATZEPFIEA-JOCHJYFZSA-N 2 2 476.629 2.941 20 0 JFADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015563 721766165 /nfs/dbraw/zinc/76/61/65/721766165.db2.gz RAOUVATZEPFIEA-JOCHJYFZSA-N 2 2 476.629 2.941 20 0 JFADLP COc1cc2c[nH+]c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2cc1OC ZINC001164913193 721796448 /nfs/dbraw/zinc/79/64/48/721796448.db2.gz AVJKGZTXFJOWME-VWLOTQADSA-N 2 2 450.539 2.755 20 0 JFADLP COc1cc2c[nH+]c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2cc1OC ZINC001164913193 721796450 /nfs/dbraw/zinc/79/64/50/721796450.db2.gz AVJKGZTXFJOWME-VWLOTQADSA-N 2 2 450.539 2.755 20 0 JFADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165056567 722015616 /nfs/dbraw/zinc/01/56/16/722015616.db2.gz WJBAISKTNFFEKE-NRFANRHFSA-N 2 2 480.657 2.640 20 0 JFADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165056567 722015617 /nfs/dbraw/zinc/01/56/17/722015617.db2.gz WJBAISKTNFFEKE-NRFANRHFSA-N 2 2 480.657 2.640 20 0 JFADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001265064051 1059760252 /nfs/dbraw/zinc/76/02/52/1059760252.db2.gz VSFSJMOCABTWHR-SFHVURJKSA-N 2 2 455.509 2.637 20 0 JFADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001265064051 1059760274 /nfs/dbraw/zinc/76/02/74/1059760274.db2.gz VSFSJMOCABTWHR-SFHVURJKSA-N 2 2 455.509 2.637 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001286891317 1061359895 /nfs/dbraw/zinc/35/98/95/1061359895.db2.gz XSUUQTBFLMFDKT-UHFFFAOYSA-N 2 2 487.718 2.651 20 0 JFADLP CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001286891317 1061359914 /nfs/dbraw/zinc/35/99/14/1061359914.db2.gz XSUUQTBFLMFDKT-UHFFFAOYSA-N 2 2 487.718 2.651 20 0 JFADLP Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC[NH+]2CCC(C)CC2)cc1C ZINC001289788253 1061414601 /nfs/dbraw/zinc/41/46/01/1061414601.db2.gz SJMUKYQYILBUFI-UHFFFAOYSA-N 2 2 470.662 2.974 20 0 JFADLP Cc1cccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001289954718 1061650636 /nfs/dbraw/zinc/65/06/36/1061650636.db2.gz OCESHFIWTIQYGA-QFIPXVFZSA-N 2 2 454.667 2.593 20 0 JFADLP Cc1cccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001289954718 1061650644 /nfs/dbraw/zinc/65/06/44/1061650644.db2.gz OCESHFIWTIQYGA-QFIPXVFZSA-N 2 2 454.667 2.593 20 0 JFADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286973165 1061759144 /nfs/dbraw/zinc/75/91/44/1061759144.db2.gz ZWYNRFIUTKPAOP-HXUWFJFHSA-N 2 2 459.683 2.656 20 0 JFADLP CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001294513690 1062048022 /nfs/dbraw/zinc/04/80/22/1062048022.db2.gz ICSMEROONIROFX-JOCHJYFZSA-N 2 2 454.667 2.677 20 0 JFADLP CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001294513690 1062048042 /nfs/dbraw/zinc/04/80/42/1062048042.db2.gz ICSMEROONIROFX-JOCHJYFZSA-N 2 2 454.667 2.677 20 0 JFADLP CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001294686915 1062247621 /nfs/dbraw/zinc/24/76/21/1062247621.db2.gz QMWKPKSTDMQBPO-GOSISDBHSA-N 2 2 461.680 2.665 20 0 JFADLP CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001294686915 1062247646 /nfs/dbraw/zinc/24/76/46/1062247646.db2.gz QMWKPKSTDMQBPO-GOSISDBHSA-N 2 2 461.680 2.665 20 0 JFADLP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294696263 1062257908 /nfs/dbraw/zinc/25/79/08/1062257908.db2.gz DMQNQEYWDKAVTQ-QHCPKHFHSA-N 2 2 482.677 2.595 20 0 JFADLP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294696263 1062257931 /nfs/dbraw/zinc/25/79/31/1062257931.db2.gz DMQNQEYWDKAVTQ-QHCPKHFHSA-N 2 2 482.677 2.595 20 0 JFADLP Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccccc4)n3CCOCC[NH+](C)C)CC2)s1 ZINC001290496796 1062286806 /nfs/dbraw/zinc/28/68/06/1062286806.db2.gz TTYWOFUQFWJFHP-UHFFFAOYSA-N 2 2 455.632 2.610 20 0 JFADLP CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159218 1062554703 /nfs/dbraw/zinc/55/47/03/1062554703.db2.gz KRXRCGXWNVWNPQ-JOCHJYFZSA-N 2 2 462.683 2.840 20 0 JFADLP CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159218 1062554720 /nfs/dbraw/zinc/55/47/20/1062554720.db2.gz KRXRCGXWNVWNPQ-JOCHJYFZSA-N 2 2 462.683 2.840 20 0 JFADLP CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC001287162701 1062565649 /nfs/dbraw/zinc/56/56/49/1062565649.db2.gz SKAQAISFNARRQW-PKTZIBPZSA-N 2 2 476.710 2.772 20 0 JFADLP CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC001287162699 1062565902 /nfs/dbraw/zinc/56/59/02/1062565902.db2.gz SKAQAISFNARRQW-DHIUTWEWSA-N 2 2 476.710 2.772 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc(Cc4csc(C)n4)n3CC[N@@H+](C)C(C)C)CC2)on1 ZINC001290970066 1062844246 /nfs/dbraw/zinc/84/42/46/1062844246.db2.gz PEAVNAOSVRVLEC-UHFFFAOYSA-N 2 2 458.636 2.593 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc(Cc4csc(C)n4)n3CC[N@H+](C)C(C)C)CC2)on1 ZINC001290970066 1062844267 /nfs/dbraw/zinc/84/42/67/1062844267.db2.gz PEAVNAOSVRVLEC-UHFFFAOYSA-N 2 2 458.636 2.593 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)on1 ZINC001290970982 1062846722 /nfs/dbraw/zinc/84/67/22/1062846722.db2.gz YKKSREZQQYQTTC-UHFFFAOYSA-N 2 2 473.666 2.721 20 0 JFADLP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001291103002 1063079024 /nfs/dbraw/zinc/07/90/24/1063079024.db2.gz WTIDFDHMDDPUMW-PMACEKPBSA-N 2 2 480.723 2.611 20 0 JFADLP C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001291103002 1063079050 /nfs/dbraw/zinc/07/90/50/1063079050.db2.gz WTIDFDHMDDPUMW-PMACEKPBSA-N 2 2 480.723 2.611 20 0 JFADLP C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291107689 1063097483 /nfs/dbraw/zinc/09/74/83/1063097483.db2.gz LQEZGSOZQJEDEL-SFTDATJTSA-N 2 2 458.626 2.897 20 0 JFADLP C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291107689 1063097514 /nfs/dbraw/zinc/09/75/14/1063097514.db2.gz LQEZGSOZQJEDEL-SFTDATJTSA-N 2 2 458.626 2.897 20 0 JFADLP C[C@H]1CCC[N@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291130660 1063176896 /nfs/dbraw/zinc/17/68/96/1063176896.db2.gz NATSVBYJOJYNJD-BHDDXSALSA-N 2 2 462.683 2.697 20 0 JFADLP C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291130660 1063176901 /nfs/dbraw/zinc/17/69/01/1063176901.db2.gz NATSVBYJOJYNJD-BHDDXSALSA-N 2 2 462.683 2.697 20 0 JFADLP C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291143671 1063222898 /nfs/dbraw/zinc/22/28/98/1063222898.db2.gz AIWRRHMZVSULJK-FGZHOGPDSA-N 2 2 494.750 2.859 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001295336808 1063260302 /nfs/dbraw/zinc/26/03/02/1063260302.db2.gz WMRGYFIHXTZPDK-QHCPKHFHSA-N 2 2 498.720 2.642 20 0 JFADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001295336808 1063260317 /nfs/dbraw/zinc/26/03/17/1063260317.db2.gz WMRGYFIHXTZPDK-QHCPKHFHSA-N 2 2 498.720 2.642 20 0 JFADLP C[C@H]1C[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001291188104 1063300378 /nfs/dbraw/zinc/30/03/78/1063300378.db2.gz FNIJQIATYOFRKH-SFTDATJTSA-N 2 2 476.710 2.913 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001291188146 1063300626 /nfs/dbraw/zinc/30/06/26/1063300626.db2.gz GDPHRWQSBOFUDS-NHCUHLMSSA-N 2 2 488.652 2.664 20 0 JFADLP C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001291188147 1063300941 /nfs/dbraw/zinc/30/09/41/1063300941.db2.gz GDPHRWQSBOFUDS-OYRHEFFESA-N 2 2 488.652 2.664 20 0 JFADLP C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001291188147 1063300956 /nfs/dbraw/zinc/30/09/56/1063300956.db2.gz GDPHRWQSBOFUDS-OYRHEFFESA-N 2 2 488.652 2.664 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295368948 1063333601 /nfs/dbraw/zinc/33/36/01/1063333601.db2.gz YSRWEYMGXKVGNO-TZIWHRDSSA-N 2 2 471.650 2.710 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001295372596 1063339443 /nfs/dbraw/zinc/33/94/43/1063339443.db2.gz GCKWDGMXWZZUNJ-IBGZPJMESA-N 2 2 484.624 2.879 20 0 JFADLP CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)(C)C)CC2)c[nH+]1 ZINC001295419360 1063428458 /nfs/dbraw/zinc/42/84/58/1063428458.db2.gz OALXYPCJJDNUAS-UHFFFAOYSA-N 2 2 468.650 2.611 20 0 JFADLP CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295502853 1063537612 /nfs/dbraw/zinc/53/76/12/1063537612.db2.gz JDWDIUFUUNQKLF-OAQYLSRUSA-N 2 2 467.662 2.610 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001295560742 1063594048 /nfs/dbraw/zinc/59/40/48/1063594048.db2.gz MVOUEHQGKDHDQQ-FGZHOGPDSA-N 2 2 456.683 2.619 20 0 JFADLP C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291101 1063666622 /nfs/dbraw/zinc/66/66/22/1063666622.db2.gz KFGCGKBIOYZYDQ-BDTNDASRSA-N 2 2 478.682 2.566 20 0 JFADLP C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291101 1063666631 /nfs/dbraw/zinc/66/66/31/1063666631.db2.gz KFGCGKBIOYZYDQ-BDTNDASRSA-N 2 2 478.682 2.566 20 0 JFADLP C[C@@H]1C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291101 1063666641 /nfs/dbraw/zinc/66/66/41/1063666641.db2.gz KFGCGKBIOYZYDQ-BDTNDASRSA-N 2 2 478.682 2.566 20 0 JFADLP C[C@@H]1C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291101 1063666658 /nfs/dbraw/zinc/66/66/58/1063666658.db2.gz KFGCGKBIOYZYDQ-BDTNDASRSA-N 2 2 478.682 2.566 20 0 JFADLP CC[N@H+](CCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001295835652 1063851990 /nfs/dbraw/zinc/85/19/90/1063851990.db2.gz HIRWZHMZWKDSHC-UHFFFAOYSA-N 2 2 471.625 2.559 20 0 JFADLP CC[N@@H+](CCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001295835652 1063852000 /nfs/dbraw/zinc/85/20/00/1063852000.db2.gz HIRWZHMZWKDSHC-UHFFFAOYSA-N 2 2 471.625 2.559 20 0 JFADLP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001291457088 1064023267 /nfs/dbraw/zinc/02/32/67/1064023267.db2.gz DSKBJGZDGPJFAE-OAQYLSRUSA-N 2 2 470.662 2.565 20 0 JFADLP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001291457308 1064023333 /nfs/dbraw/zinc/02/33/33/1064023333.db2.gz IWPROCPGDVXSSU-LADGPHEKSA-N 2 2 470.662 2.851 20 0 JFADLP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291457308 1064023339 /nfs/dbraw/zinc/02/33/39/1064023339.db2.gz IWPROCPGDVXSSU-LADGPHEKSA-N 2 2 470.662 2.851 20 0 JFADLP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1c[nH+]ccc1OC ZINC001291470123 1064030054 /nfs/dbraw/zinc/03/00/54/1064030054.db2.gz LTLORUPFHLBZCT-CNNODRBYSA-N 2 2 469.634 2.622 20 0 JFADLP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1c[nH+]ccc1OC ZINC001291470123 1064030063 /nfs/dbraw/zinc/03/00/63/1064030063.db2.gz LTLORUPFHLBZCT-CNNODRBYSA-N 2 2 469.634 2.622 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296009659 1064065881 /nfs/dbraw/zinc/06/58/81/1064065881.db2.gz IBWHAZZNPDLWJA-SFTDATJTSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296009659 1064065889 /nfs/dbraw/zinc/06/58/89/1064065889.db2.gz IBWHAZZNPDLWJA-SFTDATJTSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001296009658 1064065936 /nfs/dbraw/zinc/06/59/36/1064065936.db2.gz IBWHAZZNPDLWJA-RTWAWAEBSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001296009658 1064065943 /nfs/dbraw/zinc/06/59/43/1064065943.db2.gz IBWHAZZNPDLWJA-RTWAWAEBSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296010706 1064069047 /nfs/dbraw/zinc/06/90/47/1064069047.db2.gz CTHCQUOVWYGQQT-ACRUOGEOSA-N 2 2 472.634 2.505 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296010706 1064069056 /nfs/dbraw/zinc/06/90/56/1064069056.db2.gz CTHCQUOVWYGQQT-ACRUOGEOSA-N 2 2 472.634 2.505 20 0 JFADLP CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291571181 1064097673 /nfs/dbraw/zinc/09/76/73/1064097673.db2.gz QYVHIYNZBGVCQV-IBGZPJMESA-N 2 2 451.623 2.747 20 0 JFADLP CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291571181 1064097676 /nfs/dbraw/zinc/09/76/76/1064097676.db2.gz QYVHIYNZBGVCQV-IBGZPJMESA-N 2 2 451.623 2.747 20 0 JFADLP CC[C@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291572787 1064099014 /nfs/dbraw/zinc/09/90/14/1064099014.db2.gz PBJHDEQKHOYFST-HJOGWXRNSA-N 2 2 475.726 2.614 20 0 JFADLP CC[C@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001291572787 1064099022 /nfs/dbraw/zinc/09/90/22/1064099022.db2.gz PBJHDEQKHOYFST-HJOGWXRNSA-N 2 2 475.726 2.614 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001291602114 1064137535 /nfs/dbraw/zinc/13/75/35/1064137535.db2.gz JFOSUWXGYCKYRG-MSOLQXFVSA-N 2 2 454.627 2.525 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291620306 1064159346 /nfs/dbraw/zinc/15/93/46/1064159346.db2.gz INSQYUOXCKAABL-YADHBBJMSA-N 2 2 461.699 2.507 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291620306 1064159351 /nfs/dbraw/zinc/15/93/51/1064159351.db2.gz INSQYUOXCKAABL-YADHBBJMSA-N 2 2 461.699 2.507 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291632445 1064180658 /nfs/dbraw/zinc/18/06/58/1064180658.db2.gz SYCNOEGJFXAXBK-FIXSFTCYSA-N 2 2 470.662 2.616 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001296142003 1064248571 /nfs/dbraw/zinc/24/85/71/1064248571.db2.gz HKDUTUYRQQZULP-QGZVFWFLSA-N 2 2 482.585 2.953 20 0 JFADLP CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001296142003 1064248580 /nfs/dbraw/zinc/24/85/80/1064248580.db2.gz HKDUTUYRQQZULP-QGZVFWFLSA-N 2 2 482.585 2.953 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001296167126 1064289930 /nfs/dbraw/zinc/28/99/30/1064289930.db2.gz QSPJYRGWMDCYJW-OAQYLSRUSA-N 2 2 456.635 2.807 20 0 JFADLP CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001296167126 1064289945 /nfs/dbraw/zinc/28/99/45/1064289945.db2.gz QSPJYRGWMDCYJW-OAQYLSRUSA-N 2 2 456.635 2.807 20 0 JFADLP CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC001296167126 1064289958 /nfs/dbraw/zinc/28/99/58/1064289958.db2.gz QSPJYRGWMDCYJW-OAQYLSRUSA-N 2 2 456.635 2.807 20 0 JFADLP CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC001296167126 1064289968 /nfs/dbraw/zinc/28/99/68/1064289968.db2.gz QSPJYRGWMDCYJW-OAQYLSRUSA-N 2 2 456.635 2.807 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001296173369 1064295920 /nfs/dbraw/zinc/29/59/20/1064295920.db2.gz IAOSLIBTQHUXSD-GOSISDBHSA-N 2 2 452.559 2.848 20 0 JFADLP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001296173369 1064295935 /nfs/dbraw/zinc/29/59/35/1064295935.db2.gz IAOSLIBTQHUXSD-GOSISDBHSA-N 2 2 452.559 2.848 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173719 1064297719 /nfs/dbraw/zinc/29/77/19/1064297719.db2.gz KQTAQARZYIGRNX-IBGZPJMESA-N 2 2 460.598 2.637 20 0 JFADLP CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173719 1064297730 /nfs/dbraw/zinc/29/77/30/1064297730.db2.gz KQTAQARZYIGRNX-IBGZPJMESA-N 2 2 460.598 2.637 20 0 JFADLP CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173719 1064297744 /nfs/dbraw/zinc/29/77/44/1064297744.db2.gz KQTAQARZYIGRNX-IBGZPJMESA-N 2 2 460.598 2.637 20 0 JFADLP CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173719 1064297771 /nfs/dbraw/zinc/29/77/71/1064297771.db2.gz KQTAQARZYIGRNX-IBGZPJMESA-N 2 2 460.598 2.637 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296173720 1064298076 /nfs/dbraw/zinc/29/80/76/1064298076.db2.gz KQTAQARZYIGRNX-LJQANCHMSA-N 2 2 460.598 2.637 20 0 JFADLP CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296173720 1064298087 /nfs/dbraw/zinc/29/80/87/1064298087.db2.gz KQTAQARZYIGRNX-LJQANCHMSA-N 2 2 460.598 2.637 20 0 JFADLP CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296173720 1064298093 /nfs/dbraw/zinc/29/80/93/1064298093.db2.gz KQTAQARZYIGRNX-LJQANCHMSA-N 2 2 460.598 2.637 20 0 JFADLP CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296173720 1064298100 /nfs/dbraw/zinc/29/81/00/1064298100.db2.gz KQTAQARZYIGRNX-LJQANCHMSA-N 2 2 460.598 2.637 20 0 JFADLP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291890185 1064514966 /nfs/dbraw/zinc/51/49/66/1064514966.db2.gz VLYSRBBSOWUXQM-RUZDIDTESA-N 2 2 481.689 2.905 20 0 JFADLP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291890185 1064514982 /nfs/dbraw/zinc/51/49/82/1064514982.db2.gz VLYSRBBSOWUXQM-RUZDIDTESA-N 2 2 481.689 2.905 20 0 JFADLP CCC(CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)[NH+](C)C ZINC001291968036 1064584054 /nfs/dbraw/zinc/58/40/54/1064584054.db2.gz SULTTYSPTJXMOA-FGZHOGPDSA-N 2 2 470.666 2.964 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001292121559 1064850445 /nfs/dbraw/zinc/85/04/45/1064850445.db2.gz ABTUCHIPRXXMAO-FQEVSTJZSA-N 2 2 497.692 2.886 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001292121559 1064850457 /nfs/dbraw/zinc/85/04/57/1064850457.db2.gz ABTUCHIPRXXMAO-FQEVSTJZSA-N 2 2 497.692 2.886 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292125141 1064867897 /nfs/dbraw/zinc/86/78/97/1064867897.db2.gz IYYXAQKKYYQQPQ-UHFFFAOYSA-N 2 2 468.650 2.770 20 0 JFADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001292309957 1065078162 /nfs/dbraw/zinc/07/81/62/1065078162.db2.gz ZYBMQLQMMZWREP-OALUTQOASA-N 2 2 450.509 2.832 20 0 JFADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001292309959 1065078306 /nfs/dbraw/zinc/07/83/06/1065078306.db2.gz ZYBMQLQMMZWREP-RTBURBONSA-N 2 2 450.509 2.832 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001292520452 1065245548 /nfs/dbraw/zinc/24/55/48/1065245548.db2.gz JSDSXBNLHBZYPY-OAQYLSRUSA-N 2 2 470.662 2.775 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001292520452 1065245560 /nfs/dbraw/zinc/24/55/60/1065245560.db2.gz JSDSXBNLHBZYPY-OAQYLSRUSA-N 2 2 470.662 2.775 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001292520452 1065245572 /nfs/dbraw/zinc/24/55/72/1065245572.db2.gz JSDSXBNLHBZYPY-OAQYLSRUSA-N 2 2 470.662 2.775 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001292520452 1065245591 /nfs/dbraw/zinc/24/55/91/1065245591.db2.gz JSDSXBNLHBZYPY-OAQYLSRUSA-N 2 2 470.662 2.775 20 0 JFADLP C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001292920949 1065606494 /nfs/dbraw/zinc/60/64/94/1065606494.db2.gz SNHGVOUBBXCWDW-KRWDZBQOSA-N 2 2 454.537 2.506 20 0 JFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958746 1065636148 /nfs/dbraw/zinc/63/61/48/1065636148.db2.gz ORTGGUHRBYYUEO-DEOSSOPVSA-N 2 2 452.599 2.738 20 0 JFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958746 1065636152 /nfs/dbraw/zinc/63/61/52/1065636152.db2.gz ORTGGUHRBYYUEO-DEOSSOPVSA-N 2 2 452.599 2.738 20 0 JFADLP COc1cc(NC(=O)c2ccco2)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC001292958256 1065636190 /nfs/dbraw/zinc/63/61/90/1065636190.db2.gz HVBMXDOBYZZDRS-UHFFFAOYSA-N 2 2 458.559 2.647 20 0 JFADLP COc1cc(NC(=O)c2ccco2)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC001292958256 1065636202 /nfs/dbraw/zinc/63/62/02/1065636202.db2.gz HVBMXDOBYZZDRS-UHFFFAOYSA-N 2 2 458.559 2.647 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001293131343 1065783225 /nfs/dbraw/zinc/78/32/25/1065783225.db2.gz OGQWJPZXRRQPTQ-ZEQRLZLVSA-N 2 2 475.726 2.726 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293131343 1065783230 /nfs/dbraw/zinc/78/32/30/1065783230.db2.gz OGQWJPZXRRQPTQ-ZEQRLZLVSA-N 2 2 475.726 2.726 20 0 JFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210314 1065846102 /nfs/dbraw/zinc/84/61/02/1065846102.db2.gz BHXQKCOJUMCHMD-JXFKEZNVSA-N 2 2 453.414 2.883 20 0 JFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210314 1065846114 /nfs/dbraw/zinc/84/61/14/1065846114.db2.gz BHXQKCOJUMCHMD-JXFKEZNVSA-N 2 2 453.414 2.883 20 0 JFADLP CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001293255442 1065920109 /nfs/dbraw/zinc/92/01/09/1065920109.db2.gz UWFVFAXTXVHDCW-IBGZPJMESA-N 2 2 456.978 2.623 20 0 JFADLP CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001293255442 1065920121 /nfs/dbraw/zinc/92/01/21/1065920121.db2.gz UWFVFAXTXVHDCW-IBGZPJMESA-N 2 2 456.978 2.623 20 0 JFADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001293766104 1066254906 /nfs/dbraw/zinc/25/49/06/1066254906.db2.gz DWFMPHJCBDAUCT-VWLOTQADSA-N 2 2 450.627 2.649 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001294073140 1066542523 /nfs/dbraw/zinc/54/25/23/1066542523.db2.gz KJQZMWDJXICIKI-SFTDATJTSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001294073140 1066542528 /nfs/dbraw/zinc/54/25/28/1066542528.db2.gz KJQZMWDJXICIKI-SFTDATJTSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001294073140 1066542533 /nfs/dbraw/zinc/54/25/33/1066542533.db2.gz KJQZMWDJXICIKI-SFTDATJTSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001294073140 1066542540 /nfs/dbraw/zinc/54/25/40/1066542540.db2.gz KJQZMWDJXICIKI-SFTDATJTSA-N 2 2 474.625 2.742 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2c[nH+]ccc2OC)CC[N@@H+]1CCOC ZINC001294077876 1066547456 /nfs/dbraw/zinc/54/74/56/1066547456.db2.gz SZYHRQLURPAIKV-NRFANRHFSA-N 2 2 451.575 2.729 20 0 JFADLP CCC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2c[nH+]ccc2OC)CC[N@H+]1CCOC ZINC001294077876 1066547469 /nfs/dbraw/zinc/54/74/69/1066547469.db2.gz SZYHRQLURPAIKV-NRFANRHFSA-N 2 2 451.575 2.729 20 0 JFADLP CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC[N@@H+]1CCOC ZINC001294082432 1066551409 /nfs/dbraw/zinc/55/14/09/1066551409.db2.gz REKFVFBIBVNCHH-TZIWHRDSSA-N 2 2 458.607 2.561 20 0 JFADLP CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC[N@H+]1CCOC ZINC001294082432 1066551426 /nfs/dbraw/zinc/55/14/26/1066551426.db2.gz REKFVFBIBVNCHH-TZIWHRDSSA-N 2 2 458.607 2.561 20 0 JFADLP COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164430772 718953604 /nfs/dbraw/zinc/95/36/04/718953604.db2.gz YDSHSEWKPVPSDC-HSZRJFAPSA-N 2 2 463.626 2.835 20 0 JFADLP CCOc1ccc(NS(=O)(=O)c2cccnc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164679468 719633937 /nfs/dbraw/zinc/63/39/37/719633937.db2.gz BNOWWUVBJGCSMV-UHFFFAOYSA-N 2 2 484.626 2.953 20 0 JFADLP CCOc1ccc(NS(=O)(=O)c2cccnc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164679468 719633938 /nfs/dbraw/zinc/63/39/38/719633938.db2.gz BNOWWUVBJGCSMV-UHFFFAOYSA-N 2 2 484.626 2.953 20 0 JFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)C2 ZINC001164815941 720159055 /nfs/dbraw/zinc/15/90/55/720159055.db2.gz IZKLKEWVGZPRNX-BWKNWUBXSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)C2 ZINC001164815941 720159062 /nfs/dbraw/zinc/15/90/62/720159062.db2.gz IZKLKEWVGZPRNX-BWKNWUBXSA-N 2 2 481.622 2.853 20 0 JFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)C2 ZINC001164820164 720183424 /nfs/dbraw/zinc/18/34/24/720183424.db2.gz ZSDSTVKTMQTGLF-HOFKKMOUSA-N 2 2 462.642 2.988 20 0 JFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)C2 ZINC001164820164 720183428 /nfs/dbraw/zinc/18/34/28/720183428.db2.gz ZSDSTVKTMQTGLF-HOFKKMOUSA-N 2 2 462.642 2.988 20 0 JFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)c2c1C ZINC001164816130 720246980 /nfs/dbraw/zinc/24/69/80/720246980.db2.gz HFTNYAKXVLEPAI-UHFFFAOYSA-N 2 2 481.626 2.555 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CC1 ZINC001164830212 720346390 /nfs/dbraw/zinc/34/63/90/720346390.db2.gz VNTUTJFXBWIVKY-RPBOFIJWSA-N 2 2 489.668 2.715 20 0 JFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)CC1 ZINC001164830212 720346397 /nfs/dbraw/zinc/34/63/97/720346397.db2.gz VNTUTJFXBWIVKY-RPBOFIJWSA-N 2 2 489.668 2.715 20 0 JFADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@@H]21 ZINC001164840649 720600108 /nfs/dbraw/zinc/60/01/08/720600108.db2.gz QCSFIQUIQSVCPS-FSSWDIPSSA-N 2 2 465.650 2.646 20 0 JFADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@@H]21 ZINC001164840649 720600115 /nfs/dbraw/zinc/60/01/15/720600115.db2.gz QCSFIQUIQSVCPS-FSSWDIPSSA-N 2 2 465.650 2.646 20 0 JFADLP CN(C)C(=O)c1cc2c[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764910 721135351 /nfs/dbraw/zinc/13/53/51/721135351.db2.gz ILPXPPMRRVBFMX-PZJWPPBQSA-N 2 2 476.629 2.940 20 0 JFADLP CN(C)C(=O)c1cc2c[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764910 721135355 /nfs/dbraw/zinc/13/53/55/721135355.db2.gz ILPXPPMRRVBFMX-PZJWPPBQSA-N 2 2 476.629 2.940 20 0 JFADLP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164904631 721552755 /nfs/dbraw/zinc/55/27/55/721552755.db2.gz DZJVINFESPGYLA-TZIWHRDSSA-N 2 2 453.566 2.553 20 0 JFADLP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164904631 721552757 /nfs/dbraw/zinc/55/27/57/721552757.db2.gz DZJVINFESPGYLA-TZIWHRDSSA-N 2 2 453.566 2.553 20 0 JFADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001165014808 721765476 /nfs/dbraw/zinc/76/54/76/721765476.db2.gz JJTRNRLHAGEOID-UHFFFAOYSA-N 2 2 496.619 2.563 20 0 JFADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001165014808 721765481 /nfs/dbraw/zinc/76/54/81/721765481.db2.gz JJTRNRLHAGEOID-UHFFFAOYSA-N 2 2 496.619 2.563 20 0 JFADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915545 721785811 /nfs/dbraw/zinc/78/58/11/721785811.db2.gz LBCGLHYJQUMRER-DEOSSOPVSA-N 2 2 458.006 2.834 20 0 JFADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915545 721785814 /nfs/dbraw/zinc/78/58/14/721785814.db2.gz LBCGLHYJQUMRER-DEOSSOPVSA-N 2 2 458.006 2.834 20 0 JFADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCCC[C@H]2CC[NH+]2CCCC2)C[NH2+]1 ZINC001165046119 721970636 /nfs/dbraw/zinc/97/06/36/721970636.db2.gz BPELHTPOQRHLIC-NOXFTYBFSA-N 2 2 483.613 2.766 20 0 JFADLP c1ccc(N2CCN(c3cc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164985407 722148788 /nfs/dbraw/zinc/14/87/88/722148788.db2.gz ZJBUFTOCLZIJCC-AHWVRZQESA-N 2 2 485.636 2.926 20 0 JFADLP c1ccc(N2CCN(c3cc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)nc[nH+]3)CC2)cc1 ZINC001164985407 722148793 /nfs/dbraw/zinc/14/87/93/722148793.db2.gz ZJBUFTOCLZIJCC-AHWVRZQESA-N 2 2 485.636 2.926 20 0 JFADLP CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165004701 722270048 /nfs/dbraw/zinc/27/00/48/722270048.db2.gz CCJMWMXAUQPSJP-VWLOTQADSA-N 2 2 453.562 2.621 20 0 JFADLP Cc1[nH+]ccn1CCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001289985407 1061709787 /nfs/dbraw/zinc/70/97/87/1061709787.db2.gz KRJXICRQTODLSS-UHFFFAOYSA-N 2 2 452.607 2.791 20 0 JFADLP Cc1cc(C[NH+]2CCN(c3nnc(COc4cccc(C)c4)n3C[C@@H](C)[NH+](C)C)CC2)on1 ZINC001290074818 1061803616 /nfs/dbraw/zinc/80/36/16/1061803616.db2.gz PJBITNPPKDTBTC-HXUWFJFHSA-N 2 2 453.591 2.734 20 0 JFADLP Cc1[nH+]ccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290522449 1062323882 /nfs/dbraw/zinc/32/38/82/1062323882.db2.gz ZCGDAXNUAVTVLB-IYBDPMFKSA-N 2 2 491.438 2.786 20 0 JFADLP Cc1[nH+]ccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290522449 1062323906 /nfs/dbraw/zinc/32/39/06/1062323906.db2.gz ZCGDAXNUAVTVLB-IYBDPMFKSA-N 2 2 491.438 2.786 20 0 JFADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCSCC2)CC1 ZINC001290563304 1062365785 /nfs/dbraw/zinc/36/57/85/1062365785.db2.gz MDKHWBJDBAFCTQ-UHFFFAOYSA-N 2 2 474.723 2.588 20 0 JFADLP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001287184521 1062610250 /nfs/dbraw/zinc/61/02/50/1062610250.db2.gz RIHQXJOYQGIWKS-PSWAGMNNSA-N 2 2 483.705 2.765 20 0 JFADLP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001287184521 1062610261 /nfs/dbraw/zinc/61/02/61/1062610261.db2.gz RIHQXJOYQGIWKS-PSWAGMNNSA-N 2 2 483.705 2.765 20 0 JFADLP Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001290714093 1062646528 /nfs/dbraw/zinc/64/65/28/1062646528.db2.gz UJORZGVYBWTVAW-NHCUHLMSSA-N 2 2 462.664 2.515 20 0 JFADLP CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001287222392 1062708306 /nfs/dbraw/zinc/70/83/06/1062708306.db2.gz CYENPEUJGLODCD-QHCPKHFHSA-N 2 2 475.726 2.897 20 0 JFADLP CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001287464522 1062909111 /nfs/dbraw/zinc/90/91/11/1062909111.db2.gz CJIMHUHYKMAXKD-XZOQPEGZSA-N 2 2 473.710 2.732 20 0 JFADLP CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)C(C)C ZINC001291095268 1063054165 /nfs/dbraw/zinc/05/41/65/1063054165.db2.gz ILUXHZYXEHPTNH-JOCHJYFZSA-N 2 2 484.693 2.915 20 0 JFADLP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)C1 ZINC001287732959 1063054823 /nfs/dbraw/zinc/05/48/23/1063054823.db2.gz ANIPYDBZJNZJMS-HXUWFJFHSA-N 2 2 482.677 2.808 20 0 JFADLP CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)C1 ZINC001287732959 1063054845 /nfs/dbraw/zinc/05/48/45/1063054845.db2.gz ANIPYDBZJNZJMS-HXUWFJFHSA-N 2 2 482.677 2.808 20 0 JFADLP C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291135828 1063188942 /nfs/dbraw/zinc/18/89/42/1063188942.db2.gz KSAIJBUNCJSXGQ-GOSISDBHSA-N 2 2 477.451 2.960 20 0 JFADLP C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291135828 1063188952 /nfs/dbraw/zinc/18/89/52/1063188952.db2.gz KSAIJBUNCJSXGQ-GOSISDBHSA-N 2 2 477.451 2.960 20 0 JFADLP CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141906 1063217185 /nfs/dbraw/zinc/21/71/85/1063217185.db2.gz VDRMMVUHOJPEAR-VXKWHMMOSA-N 2 2 459.683 2.655 20 0 JFADLP C[C@@H]1C[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001291188102 1063300440 /nfs/dbraw/zinc/30/04/40/1063300440.db2.gz FNIJQIATYOFRKH-NHCUHLMSSA-N 2 2 476.710 2.913 20 0 JFADLP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001295359249 1063319081 /nfs/dbraw/zinc/31/90/81/1063319081.db2.gz WEHUESAIMNGTDO-SFHVURJKSA-N 2 2 477.617 2.679 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373072 1063340358 /nfs/dbraw/zinc/34/03/58/1063340358.db2.gz XSLSVDXCJSNKFM-RTWAWAEBSA-N 2 2 484.693 2.583 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001295553440 1063586523 /nfs/dbraw/zinc/58/65/23/1063586523.db2.gz HHHPSASAFZRLFI-HXUWFJFHSA-N 2 2 451.619 2.992 20 0 JFADLP CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC001295865649 1063898635 /nfs/dbraw/zinc/89/86/35/1063898635.db2.gz FYEXEBZYGMASPP-UHFFFAOYSA-N 2 2 497.692 2.679 20 0 JFADLP CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC001295865649 1063898644 /nfs/dbraw/zinc/89/86/44/1063898644.db2.gz FYEXEBZYGMASPP-UHFFFAOYSA-N 2 2 497.692 2.679 20 0 JFADLP CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001295990985 1064045915 /nfs/dbraw/zinc/04/59/15/1064045915.db2.gz ONYNPHDASSBFLQ-ZEQRLZLVSA-N 2 2 456.631 2.988 20 0 JFADLP CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001295990985 1064045920 /nfs/dbraw/zinc/04/59/20/1064045920.db2.gz ONYNPHDASSBFLQ-ZEQRLZLVSA-N 2 2 456.631 2.988 20 0 JFADLP CC[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291524097 1064074571 /nfs/dbraw/zinc/07/45/71/1064074571.db2.gz GBYKPACWKSLYOR-SIKLNZKXSA-N 2 2 482.677 2.758 20 0 JFADLP CC[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291524097 1064074574 /nfs/dbraw/zinc/07/45/74/1064074574.db2.gz GBYKPACWKSLYOR-SIKLNZKXSA-N 2 2 482.677 2.758 20 0 JFADLP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001296017305 1064079333 /nfs/dbraw/zinc/07/93/33/1064079333.db2.gz XWWIQENSQBOMPE-LEWJYISDSA-N 2 2 486.661 2.895 20 0 JFADLP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001296017305 1064079340 /nfs/dbraw/zinc/07/93/40/1064079340.db2.gz XWWIQENSQBOMPE-LEWJYISDSA-N 2 2 486.661 2.895 20 0 JFADLP CC[NH+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001296017305 1064079350 /nfs/dbraw/zinc/07/93/50/1064079350.db2.gz XWWIQENSQBOMPE-LEWJYISDSA-N 2 2 486.661 2.895 20 0 JFADLP CC[NH+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001296017305 1064079360 /nfs/dbraw/zinc/07/93/60/1064079360.db2.gz XWWIQENSQBOMPE-LEWJYISDSA-N 2 2 486.661 2.895 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291632443 1064180695 /nfs/dbraw/zinc/18/06/95/1064180695.db2.gz SYCNOEGJFXAXBK-AOHZBQACSA-N 2 2 470.662 2.616 20 0 JFADLP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291638952 1064186543 /nfs/dbraw/zinc/18/65/43/1064186543.db2.gz OAVOVHUUABREOJ-GOSISDBHSA-N 2 2 461.680 2.726 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296134829 1064237227 /nfs/dbraw/zinc/23/72/27/1064237227.db2.gz QZMWDKHIKFKBHZ-YTFSRNRJSA-N 2 2 499.704 2.811 20 0 JFADLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296134829 1064237230 /nfs/dbraw/zinc/23/72/30/1064237230.db2.gz QZMWDKHIKFKBHZ-YTFSRNRJSA-N 2 2 499.704 2.811 20 0 JFADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296175540 1064304632 /nfs/dbraw/zinc/30/46/32/1064304632.db2.gz XCNBQIUEHLYLTM-NJYVYQBISA-N 2 2 491.681 2.601 20 0 JFADLP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296175540 1064304646 /nfs/dbraw/zinc/30/46/46/1064304646.db2.gz XCNBQIUEHLYLTM-NJYVYQBISA-N 2 2 491.681 2.601 20 0 JFADLP CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296175540 1064304663 /nfs/dbraw/zinc/30/46/63/1064304663.db2.gz XCNBQIUEHLYLTM-NJYVYQBISA-N 2 2 491.681 2.601 20 0 JFADLP CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296175540 1064304674 /nfs/dbraw/zinc/30/46/74/1064304674.db2.gz XCNBQIUEHLYLTM-NJYVYQBISA-N 2 2 491.681 2.601 20 0 JFADLP CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291955681 1064570553 /nfs/dbraw/zinc/57/05/53/1064570553.db2.gz ZSNKDISJYVDZJS-IFMALSPDSA-N 2 2 461.699 2.901 20 0 JFADLP CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291963999 1064577584 /nfs/dbraw/zinc/57/75/84/1064577584.db2.gz LRVMQPLKURACDA-DEOSSOPVSA-N 2 2 496.704 2.759 20 0 JFADLP CCC(CC)[C@H](Cn1c(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001291977898 1064593544 /nfs/dbraw/zinc/59/35/44/1064593544.db2.gz KNIXVAKNGWLUKY-PMVMPFDFSA-N 2 2 476.710 2.870 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001292121560 1064850396 /nfs/dbraw/zinc/85/03/96/1064850396.db2.gz ABTUCHIPRXXMAO-HXUWFJFHSA-N 2 2 497.692 2.886 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001292121560 1064850405 /nfs/dbraw/zinc/85/04/05/1064850405.db2.gz ABTUCHIPRXXMAO-HXUWFJFHSA-N 2 2 497.692 2.886 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CC[N@@H+](CC)C(C)C)cc1 ZINC001292518335 1065242289 /nfs/dbraw/zinc/24/22/89/1065242289.db2.gz QIOSXPLTLZXXTF-UHFFFAOYSA-N 2 2 481.689 2.982 20 0 JFADLP CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CC[N@H+](CC)C(C)C)cc1 ZINC001292518335 1065242301 /nfs/dbraw/zinc/24/23/01/1065242301.db2.gz QIOSXPLTLZXXTF-UHFFFAOYSA-N 2 2 481.689 2.982 20 0 JFADLP CN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292913053 1065603470 /nfs/dbraw/zinc/60/34/70/1065603470.db2.gz TXXLVDFXJOUUAN-UHFFFAOYSA-N 2 2 452.599 2.576 20 0 JFADLP CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292920880 1065606597 /nfs/dbraw/zinc/60/65/97/1065606597.db2.gz QKQATHSLNYRVMV-RQWLHQTBSA-N 2 2 456.631 2.574 20 0 JFADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293095496 1065745376 /nfs/dbraw/zinc/74/53/76/1065745376.db2.gz RIWSBSOJSPQTPM-QFIPXVFZSA-N 2 2 473.710 2.732 20 0 JFADLP CCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293128116 1065779123 /nfs/dbraw/zinc/77/91/23/1065779123.db2.gz JWNSGYDAXIMYJT-JOCHJYFZSA-N 2 2 453.679 2.745 20 0 JFADLP CCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001293135199 1065786036 /nfs/dbraw/zinc/78/60/36/1065786036.db2.gz AXKJWTOVSUQNED-HXUWFJFHSA-N 2 2 477.053 2.663 20 0 JFADLP COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255472 1065920021 /nfs/dbraw/zinc/92/00/21/1065920021.db2.gz VYRJYCAGWUUTCC-YTQUADARSA-N 2 2 458.603 2.539 20 0 JFADLP COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255472 1065920032 /nfs/dbraw/zinc/92/00/32/1065920032.db2.gz VYRJYCAGWUUTCC-YTQUADARSA-N 2 2 458.603 2.539 20 0 JFADLP C[C@H](C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)n1cc[nH+]c1 ZINC001293382890 1065985345 /nfs/dbraw/zinc/98/53/45/1065985345.db2.gz JHKMZEORTSVCSB-MRXNPFEDSA-N 2 2 452.372 2.622 20 0 JFADLP CC(C)[N@H+](C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[NH+]2CC[C@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681796 719632200 /nfs/dbraw/zinc/63/22/00/719632200.db2.gz KPRKTWGAIHCOIC-IBGZPJMESA-N 3 2 497.688 2.552 20 0 JFADLP CC(C)[N@@H+](C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[NH+]2CC[C@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681796 719632205 /nfs/dbraw/zinc/63/22/05/719632205.db2.gz KPRKTWGAIHCOIC-IBGZPJMESA-N 3 2 497.688 2.552 20 0 JFADLP CC(C)[NH+](C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681796 719632217 /nfs/dbraw/zinc/63/22/17/719632217.db2.gz KPRKTWGAIHCOIC-IBGZPJMESA-N 3 2 497.688 2.552 20 0 JFADLP CC(C)[NH+](C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681796 719632223 /nfs/dbraw/zinc/63/22/23/719632223.db2.gz KPRKTWGAIHCOIC-IBGZPJMESA-N 3 2 497.688 2.552 20 0 JFADLP CC(C)[N@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)Nc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164679801 719645894 /nfs/dbraw/zinc/64/58/94/719645894.db2.gz NMQBQJXZWWLMAZ-UHFFFAOYSA-N 2 2 458.563 2.693 20 0 JFADLP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)Nc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164679801 719645903 /nfs/dbraw/zinc/64/59/03/719645903.db2.gz NMQBQJXZWWLMAZ-UHFFFAOYSA-N 2 2 458.563 2.693 20 0 JFADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)CC2)c2ccccc21 ZINC001164681932 719674026 /nfs/dbraw/zinc/67/40/26/719674026.db2.gz OLTHYTSCQIRNQK-QFIPXVFZSA-N 3 2 476.669 2.585 20 0 JFADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(Cn4cncn4)c[nH+]3)CC2)c2ccccc21 ZINC001164680384 719677204 /nfs/dbraw/zinc/67/72/04/719677204.db2.gz DKALJXLHCARAID-QFIPXVFZSA-N 2 2 473.625 2.815 20 0 JFADLP C[NH+]1CCN(c2cccc(N3CCOC[C@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)[nH+]2)CC1 ZINC001164727751 720493557 /nfs/dbraw/zinc/49/35/57/720493557.db2.gz NVCSQJVIZNJHMD-NLFFAJNJSA-N 2 2 455.578 2.697 20 0 JFADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@@H]21 ZINC001164840646 720601385 /nfs/dbraw/zinc/60/13/85/720601385.db2.gz QCSFIQUIQSVCPS-FKBYEOEOSA-N 2 2 465.650 2.646 20 0 JFADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@@H]21 ZINC001164840646 720601396 /nfs/dbraw/zinc/60/13/96/720601396.db2.gz QCSFIQUIQSVCPS-FKBYEOEOSA-N 2 2 465.650 2.646 20 0 JFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868630 721059228 /nfs/dbraw/zinc/05/92/28/721059228.db2.gz OVAJASQLBKQOJP-RPWUZVMVSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868630 721059232 /nfs/dbraw/zinc/05/92/32/721059232.db2.gz OVAJASQLBKQOJP-RPWUZVMVSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868630 721059237 /nfs/dbraw/zinc/05/92/37/721059237.db2.gz OVAJASQLBKQOJP-RPWUZVMVSA-N 2 2 456.594 2.910 20 0 JFADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868630 721059239 /nfs/dbraw/zinc/05/92/39/721059239.db2.gz OVAJASQLBKQOJP-RPWUZVMVSA-N 2 2 456.594 2.910 20 0 JFADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164773397 721212373 /nfs/dbraw/zinc/21/23/73/721212373.db2.gz WYKGXPNLFISIFE-YADHBBJMSA-N 2 2 476.604 2.634 20 0 JFADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164773397 721212378 /nfs/dbraw/zinc/21/23/78/721212378.db2.gz WYKGXPNLFISIFE-YADHBBJMSA-N 2 2 476.604 2.634 20 0 JFADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015564 721766233 /nfs/dbraw/zinc/76/62/33/721766233.db2.gz RAOUVATZEPFIEA-QFIPXVFZSA-N 2 2 476.629 2.941 20 0 JFADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015564 721766236 /nfs/dbraw/zinc/76/62/36/721766236.db2.gz RAOUVATZEPFIEA-QFIPXVFZSA-N 2 2 476.629 2.941 20 0 JFADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCCC[C@H]2CC[NH+]2CCCC2)C[NH2+]1 ZINC001165046118 721970821 /nfs/dbraw/zinc/97/08/21/721970821.db2.gz BPELHTPOQRHLIC-LEDOBFOHSA-N 2 2 483.613 2.766 20 0 JFADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCCC[C@@H]2CC[NH+]2CCCC2)C[NH2+]1 ZINC001165046120 721970836 /nfs/dbraw/zinc/97/08/36/721970836.db2.gz BPELHTPOQRHLIC-RFWXGWTQSA-N 2 2 483.613 2.766 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164956088 722019768 /nfs/dbraw/zinc/01/97/68/722019768.db2.gz WHIVUGPIKMFRLE-UHFFFAOYSA-N 2 2 450.587 2.754 20 0 JFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164956088 722019772 /nfs/dbraw/zinc/01/97/72/722019772.db2.gz WHIVUGPIKMFRLE-UHFFFAOYSA-N 2 2 450.587 2.754 20 0 JFADLP C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]cnc4c2ccn4Cc2cccc(F)c2)CC3)CC1 ZINC001164997645 722234259 /nfs/dbraw/zinc/23/42/59/722234259.db2.gz SVVYDEJRWGTWPB-UHFFFAOYSA-N 2 2 472.572 2.766 20 0 JFADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCN(c4ccccc4F)CC3)[nH+]cn1)CCC2 ZINC001165004317 722256819 /nfs/dbraw/zinc/25/68/19/722256819.db2.gz QELUACOJBDTTKL-UHFFFAOYSA-N 2 2 494.619 2.627 20 0 JFADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCN(c4ccccc4F)CC3)nc[nH+]1)CCC2 ZINC001165004317 722256822 /nfs/dbraw/zinc/25/68/22/722256822.db2.gz QELUACOJBDTTKL-UHFFFAOYSA-N 2 2 494.619 2.627 20 0 JFADLP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001289740780 1061355744 /nfs/dbraw/zinc/35/57/44/1061355744.db2.gz PXKXSGJOCXBPKJ-UHFFFAOYSA-N 2 2 483.661 2.788 20 0 JFADLP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001289932200 1061625837 /nfs/dbraw/zinc/62/58/37/1061625837.db2.gz SCFQRTJCMMHZSH-HSZRJFAPSA-N 2 2 467.593 2.859 20 0 JFADLP CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001286971307 1061749027 /nfs/dbraw/zinc/74/90/27/1061749027.db2.gz HUEPJGIRKIKWKU-QHCPKHFHSA-N 2 2 496.704 2.516 20 0 JFADLP Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001290107950 1061835358 /nfs/dbraw/zinc/83/53/58/1061835358.db2.gz WHKSODGZAPHXHP-NRFANRHFSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001290107950 1061835367 /nfs/dbraw/zinc/83/53/67/1061835367.db2.gz WHKSODGZAPHXHP-NRFANRHFSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC[NH+]1CCOC[C@@H]1C ZINC001290107950 1061835387 /nfs/dbraw/zinc/83/53/87/1061835387.db2.gz WHKSODGZAPHXHP-NRFANRHFSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC[NH+]1CCOC[C@@H]1C ZINC001290107950 1061835399 /nfs/dbraw/zinc/83/53/99/1061835399.db2.gz WHKSODGZAPHXHP-NRFANRHFSA-N 2 2 456.635 2.521 20 0 JFADLP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001290402496 1062107772 /nfs/dbraw/zinc/10/77/72/1062107772.db2.gz YQCSQENYAHBUAP-JOCHJYFZSA-N 2 2 487.649 2.844 20 0 JFADLP CCC[N@@H+]1CC[C@@H](Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668771 1062224719 /nfs/dbraw/zinc/22/47/19/1062224719.db2.gz CMQBTBBZTQYQCK-PKTZIBPZSA-N 2 2 475.726 2.539 20 0 JFADLP CCC[N@H+]1CC[C@@H](Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668771 1062224735 /nfs/dbraw/zinc/22/47/35/1062224735.db2.gz CMQBTBBZTQYQCK-PKTZIBPZSA-N 2 2 475.726 2.539 20 0 JFADLP CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001294686916 1062247308 /nfs/dbraw/zinc/24/73/08/1062247308.db2.gz QMWKPKSTDMQBPO-SFHVURJKSA-N 2 2 461.680 2.665 20 0 JFADLP CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001294686916 1062247330 /nfs/dbraw/zinc/24/73/30/1062247330.db2.gz QMWKPKSTDMQBPO-SFHVURJKSA-N 2 2 461.680 2.665 20 0 JFADLP Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290524514 1062326147 /nfs/dbraw/zinc/32/61/47/1062326147.db2.gz DQYBWRZLDWEZKA-UHFFFAOYSA-N 2 2 455.582 2.760 20 0 JFADLP Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290524514 1062326173 /nfs/dbraw/zinc/32/61/73/1062326173.db2.gz DQYBWRZLDWEZKA-UHFFFAOYSA-N 2 2 455.582 2.760 20 0 JFADLP CC(C)[C@H](Cn1c(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163264 1062568471 /nfs/dbraw/zinc/56/84/71/1062568471.db2.gz CIUOFVZOKXJFMZ-RPWUZVMVSA-N 2 2 489.753 2.927 20 0 JFADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001287223643 1062710811 /nfs/dbraw/zinc/71/08/11/1062710811.db2.gz OTOGLHAFFPXQQG-YADHBBJMSA-N 2 2 473.666 2.529 20 0 JFADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001287223643 1062710832 /nfs/dbraw/zinc/71/08/32/1062710832.db2.gz OTOGLHAFFPXQQG-YADHBBJMSA-N 2 2 473.666 2.529 20 0 JFADLP CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329180 1062805366 /nfs/dbraw/zinc/80/53/66/1062805366.db2.gz RTRJEACWAUDNSP-RPBOFIJWSA-N 2 2 498.720 2.548 20 0 JFADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291000255 1062895304 /nfs/dbraw/zinc/89/53/04/1062895304.db2.gz VCRCLODOULEJQW-SZPZYZBQSA-N 2 2 469.678 2.789 20 0 JFADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291000255 1062895316 /nfs/dbraw/zinc/89/53/16/1062895316.db2.gz VCRCLODOULEJQW-SZPZYZBQSA-N 2 2 469.678 2.789 20 0 JFADLP CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCOC1 ZINC001291068773 1063016706 /nfs/dbraw/zinc/01/67/06/1063016706.db2.gz RXPQGRRQRGDKPV-ZSQFBXSQSA-N 2 2 492.709 2.598 20 0 JFADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295328969 1063227922 /nfs/dbraw/zinc/22/79/22/1063227922.db2.gz NQPJLZHRNAIVAG-FQEVSTJZSA-N 2 2 459.639 2.678 20 0 JFADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295328969 1063227939 /nfs/dbraw/zinc/22/79/39/1063227939.db2.gz NQPJLZHRNAIVAG-FQEVSTJZSA-N 2 2 459.639 2.678 20 0 JFADLP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291187337 1063295121 /nfs/dbraw/zinc/29/51/21/1063295121.db2.gz SLVOZRRLYDBMPM-WOZUAGRISA-N 2 2 450.672 2.835 20 0 JFADLP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291187337 1063295144 /nfs/dbraw/zinc/29/51/44/1063295144.db2.gz SLVOZRRLYDBMPM-WOZUAGRISA-N 2 2 450.672 2.835 20 0 JFADLP C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001291188148 1063300520 /nfs/dbraw/zinc/30/05/20/1063300520.db2.gz GDPHRWQSBOFUDS-SFTDATJTSA-N 2 2 488.652 2.664 20 0 JFADLP C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001291188103 1063300845 /nfs/dbraw/zinc/30/08/45/1063300845.db2.gz FNIJQIATYOFRKH-OYRHEFFESA-N 2 2 476.710 2.913 20 0 JFADLP C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001291188103 1063300855 /nfs/dbraw/zinc/30/08/55/1063300855.db2.gz FNIJQIATYOFRKH-OYRHEFFESA-N 2 2 476.710 2.913 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001295376953 1063346411 /nfs/dbraw/zinc/34/64/11/1063346411.db2.gz QWMHLXPKLLURCK-ISKFKSNPSA-N 2 2 475.726 2.897 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001295376956 1063347177 /nfs/dbraw/zinc/34/71/77/1063347177.db2.gz QWMHLXPKLLURCK-VWNXMTODSA-N 2 2 475.726 2.897 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295378566 1063348456 /nfs/dbraw/zinc/34/84/56/1063348456.db2.gz GWCBHTVWOAWHMJ-RTWAWAEBSA-N 2 2 461.699 2.730 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295378565 1063348615 /nfs/dbraw/zinc/34/86/15/1063348615.db2.gz GWCBHTVWOAWHMJ-NHCUHLMSSA-N 2 2 461.699 2.730 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001295390536 1063370130 /nfs/dbraw/zinc/37/01/30/1063370130.db2.gz PYSCDDYKDFGVRT-RTWAWAEBSA-N 2 2 493.697 2.849 20 0 JFADLP CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)c[nH+]1 ZINC001295418154 1063423711 /nfs/dbraw/zinc/42/37/11/1063423711.db2.gz AQAOVEFZBAEQOK-UHFFFAOYSA-N 2 2 482.677 2.511 20 0 JFADLP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001295520699 1063556915 /nfs/dbraw/zinc/55/69/15/1063556915.db2.gz UVJMPVJYUJTPAB-DEOSSOPVSA-N 2 2 481.689 2.510 20 0 JFADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001295560744 1063593988 /nfs/dbraw/zinc/59/39/88/1063593988.db2.gz MVOUEHQGKDHDQQ-YADHBBJMSA-N 2 2 456.683 2.619 20 0 JFADLP C[C@@H]1C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291291103 1063666796 /nfs/dbraw/zinc/66/67/96/1063666796.db2.gz KFGCGKBIOYZYDQ-VSKRKVRLSA-N 2 2 478.682 2.566 20 0 JFADLP C[C@@H]1C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291291103 1063666802 /nfs/dbraw/zinc/66/68/02/1063666802.db2.gz KFGCGKBIOYZYDQ-VSKRKVRLSA-N 2 2 478.682 2.566 20 0 JFADLP C[C@H]1COCC[N@@H+]1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(C)(C)C ZINC001291309908 1063737260 /nfs/dbraw/zinc/73/72/60/1063737260.db2.gz OUBNDPHSJQBJHQ-QHCPKHFHSA-N 2 2 483.705 2.846 20 0 JFADLP C[C@H]1COCC[N@H+]1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(C)(C)C ZINC001291309908 1063737271 /nfs/dbraw/zinc/73/72/71/1063737271.db2.gz OUBNDPHSJQBJHQ-QHCPKHFHSA-N 2 2 483.705 2.846 20 0 JFADLP CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001295836817 1063853883 /nfs/dbraw/zinc/85/38/83/1063853883.db2.gz XXTPJKBGQLFEPP-UHFFFAOYSA-N 2 2 467.662 2.728 20 0 JFADLP CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001295836817 1063853898 /nfs/dbraw/zinc/85/38/98/1063853898.db2.gz XXTPJKBGQLFEPP-UHFFFAOYSA-N 2 2 467.662 2.728 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC001295868230 1063904682 /nfs/dbraw/zinc/90/46/82/1063904682.db2.gz YWDFFRUKENJIKJ-DNQXCXABSA-N 2 2 457.018 2.889 20 0 JFADLP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC001295868230 1063904694 /nfs/dbraw/zinc/90/46/94/1063904694.db2.gz YWDFFRUKENJIKJ-DNQXCXABSA-N 2 2 457.018 2.889 20 0 JFADLP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1c[nH+]ccc1OC ZINC001291470126 1064030164 /nfs/dbraw/zinc/03/01/64/1064030164.db2.gz LTLORUPFHLBZCT-NNMXDRDESA-N 2 2 469.634 2.622 20 0 JFADLP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1c[nH+]ccc1OC ZINC001291470126 1064030173 /nfs/dbraw/zinc/03/01/73/1064030173.db2.gz LTLORUPFHLBZCT-NNMXDRDESA-N 2 2 469.634 2.622 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291509549 1064060601 /nfs/dbraw/zinc/06/06/01/1064060601.db2.gz GFYBJUPXRZAHDJ-AFXVXQJMSA-N 2 2 475.726 2.896 20 0 JFADLP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296010708 1064069220 /nfs/dbraw/zinc/06/92/20/1064069220.db2.gz CTHCQUOVWYGQQT-HBMCJLEFSA-N 2 2 472.634 2.505 20 0 JFADLP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296010708 1064069228 /nfs/dbraw/zinc/06/92/28/1064069228.db2.gz CTHCQUOVWYGQQT-HBMCJLEFSA-N 2 2 472.634 2.505 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291524095 1064074610 /nfs/dbraw/zinc/07/46/10/1064074610.db2.gz GBYKPACWKSLYOR-DENIHFKCSA-N 2 2 482.677 2.758 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291524095 1064074619 /nfs/dbraw/zinc/07/46/19/1064074619.db2.gz GBYKPACWKSLYOR-DENIHFKCSA-N 2 2 482.677 2.758 20 0 JFADLP CC[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291524098 1064074731 /nfs/dbraw/zinc/07/47/31/1064074731.db2.gz GBYKPACWKSLYOR-UGKGYDQZSA-N 2 2 482.677 2.758 20 0 JFADLP CC[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291524098 1064074737 /nfs/dbraw/zinc/07/47/37/1064074737.db2.gz GBYKPACWKSLYOR-UGKGYDQZSA-N 2 2 482.677 2.758 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291571182 1064097708 /nfs/dbraw/zinc/09/77/08/1064097708.db2.gz QYVHIYNZBGVCQV-LJQANCHMSA-N 2 2 451.623 2.747 20 0 JFADLP CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291571182 1064097711 /nfs/dbraw/zinc/09/77/11/1064097711.db2.gz QYVHIYNZBGVCQV-LJQANCHMSA-N 2 2 451.623 2.747 20 0 JFADLP CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296074449 1064140454 /nfs/dbraw/zinc/14/04/54/1064140454.db2.gz NZAYDYUYBMXINS-QFIPXVFZSA-N 2 2 456.635 2.727 20 0 JFADLP CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296074449 1064140456 /nfs/dbraw/zinc/14/04/56/1064140456.db2.gz NZAYDYUYBMXINS-QFIPXVFZSA-N 2 2 456.635 2.727 20 0 JFADLP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296090722 1064162517 /nfs/dbraw/zinc/16/25/17/1064162517.db2.gz WZKFCPSXGKTNRE-NRFANRHFSA-N 2 2 472.634 2.605 20 0 JFADLP CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001296090722 1064162522 /nfs/dbraw/zinc/16/25/22/1064162522.db2.gz WZKFCPSXGKTNRE-NRFANRHFSA-N 2 2 472.634 2.605 20 0 JFADLP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291632450 1064180639 /nfs/dbraw/zinc/18/06/39/1064180639.db2.gz SYCNOEGJFXAXBK-WPFOTENUSA-N 2 2 470.662 2.616 20 0 JFADLP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291765329 1064245829 /nfs/dbraw/zinc/24/58/29/1064245829.db2.gz LAPLMFHGBUMHOD-FCHUYYIVSA-N 2 2 497.688 2.817 20 0 JFADLP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291765329 1064245832 /nfs/dbraw/zinc/24/58/32/1064245832.db2.gz LAPLMFHGBUMHOD-FCHUYYIVSA-N 2 2 497.688 2.817 20 0 JFADLP CC[C@@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291774047 1064260790 /nfs/dbraw/zinc/26/07/90/1064260790.db2.gz KTZMIQFRAPDRLS-ISKFKSNPSA-N 2 2 475.726 2.897 20 0 JFADLP CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291774047 1064260794 /nfs/dbraw/zinc/26/07/94/1064260794.db2.gz KTZMIQFRAPDRLS-ISKFKSNPSA-N 2 2 475.726 2.897 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001296149571 1064261902 /nfs/dbraw/zinc/26/19/02/1064261902.db2.gz JYTMCTRVNCFUSC-QGZVFWFLSA-N 2 2 452.559 2.945 20 0 JFADLP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001296149571 1064261913 /nfs/dbraw/zinc/26/19/13/1064261913.db2.gz JYTMCTRVNCFUSC-QGZVFWFLSA-N 2 2 452.559 2.945 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001296156075 1064268661 /nfs/dbraw/zinc/26/86/61/1064268661.db2.gz SPDSKTOIPVDNEG-JXFKEZNVSA-N 2 2 458.561 2.790 20 0 JFADLP CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001296156075 1064268667 /nfs/dbraw/zinc/26/86/67/1064268667.db2.gz SPDSKTOIPVDNEG-JXFKEZNVSA-N 2 2 458.561 2.790 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001296156085 1064268726 /nfs/dbraw/zinc/26/87/26/1064268726.db2.gz SPDSKTOIPVDNEG-OXJNMPFZSA-N 2 2 458.561 2.790 20 0 JFADLP CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1C ZINC001296156085 1064268732 /nfs/dbraw/zinc/26/87/32/1064268732.db2.gz SPDSKTOIPVDNEG-OXJNMPFZSA-N 2 2 458.561 2.790 20 0 JFADLP CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001296165397 1064284931 /nfs/dbraw/zinc/28/49/31/1064284931.db2.gz ISALREGYPKPTAE-XLIONFOSSA-N 2 2 475.588 2.512 20 0 JFADLP CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C ZINC001296165397 1064284935 /nfs/dbraw/zinc/28/49/35/1064284935.db2.gz ISALREGYPKPTAE-XLIONFOSSA-N 2 2 475.588 2.512 20 0 JFADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296175535 1064304303 /nfs/dbraw/zinc/30/43/03/1064304303.db2.gz XCNBQIUEHLYLTM-ACRUOGEOSA-N 2 2 491.681 2.601 20 0 JFADLP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296175535 1064304317 /nfs/dbraw/zinc/30/43/17/1064304317.db2.gz XCNBQIUEHLYLTM-ACRUOGEOSA-N 2 2 491.681 2.601 20 0 JFADLP CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296175535 1064304333 /nfs/dbraw/zinc/30/43/33/1064304333.db2.gz XCNBQIUEHLYLTM-ACRUOGEOSA-N 2 2 491.681 2.601 20 0 JFADLP CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296175535 1064304341 /nfs/dbraw/zinc/30/43/41/1064304341.db2.gz XCNBQIUEHLYLTM-ACRUOGEOSA-N 2 2 491.681 2.601 20 0 JFADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296175539 1064304724 /nfs/dbraw/zinc/30/47/24/1064304724.db2.gz XCNBQIUEHLYLTM-HKBOAZHASA-N 2 2 491.681 2.601 20 0 JFADLP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296175539 1064304735 /nfs/dbraw/zinc/30/47/35/1064304735.db2.gz XCNBQIUEHLYLTM-HKBOAZHASA-N 2 2 491.681 2.601 20 0 JFADLP CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296175539 1064304748 /nfs/dbraw/zinc/30/47/48/1064304748.db2.gz XCNBQIUEHLYLTM-HKBOAZHASA-N 2 2 491.681 2.601 20 0 JFADLP CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296175539 1064304759 /nfs/dbraw/zinc/30/47/59/1064304759.db2.gz XCNBQIUEHLYLTM-HKBOAZHASA-N 2 2 491.681 2.601 20 0 JFADLP CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296197004 1064372125 /nfs/dbraw/zinc/37/21/25/1064372125.db2.gz XUCDIXVHMRRXMI-ZLNRFVROSA-N 2 2 475.726 2.755 20 0 JFADLP CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296197004 1064372136 /nfs/dbraw/zinc/37/21/36/1064372136.db2.gz XUCDIXVHMRRXMI-ZLNRFVROSA-N 2 2 475.726 2.755 20 0 JFADLP CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291894444 1064524466 /nfs/dbraw/zinc/52/44/66/1064524466.db2.gz QAALJSVLKGFORN-QHCPKHFHSA-N 2 2 470.662 2.699 20 0 JFADLP CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)[NH+](C)C ZINC001291973035 1064587587 /nfs/dbraw/zinc/58/75/87/1064587587.db2.gz DVIQETLGVMJRLY-QFIPXVFZSA-N 2 2 482.677 2.791 20 0 JFADLP CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001292018727 1064654750 /nfs/dbraw/zinc/65/47/50/1064654750.db2.gz YIXOGHBBFFMDDC-OYDLWJJNSA-N 2 2 497.688 2.656 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001293131340 1065783673 /nfs/dbraw/zinc/78/36/73/1065783673.db2.gz OGQWJPZXRRQPTQ-BJKOFHAPSA-N 2 2 475.726 2.726 20 0 JFADLP CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293131340 1065783687 /nfs/dbraw/zinc/78/36/87/1065783687.db2.gz OGQWJPZXRRQPTQ-BJKOFHAPSA-N 2 2 475.726 2.726 20 0 JFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210315 1065845992 /nfs/dbraw/zinc/84/59/92/1065845992.db2.gz BHXQKCOJUMCHMD-OXJNMPFZSA-N 2 2 453.414 2.883 20 0 JFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210315 1065846017 /nfs/dbraw/zinc/84/60/17/1065846017.db2.gz BHXQKCOJUMCHMD-OXJNMPFZSA-N 2 2 453.414 2.883 20 0 JFADLP CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001293253340 1065918062 /nfs/dbraw/zinc/91/80/62/1065918062.db2.gz LFMOPIAVWCMZEN-OAHLLOKOSA-N 2 2 452.477 2.667 20 0 JFADLP CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001293253340 1065918074 /nfs/dbraw/zinc/91/80/74/1065918074.db2.gz LFMOPIAVWCMZEN-OAHLLOKOSA-N 2 2 452.477 2.667 20 0 JFADLP CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC001293622348 1066138669 /nfs/dbraw/zinc/13/86/69/1066138669.db2.gz NLRMCJJYYQJXAK-OAQYLSRUSA-N 2 2 484.674 2.690 20 0 JFADLP CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC001293622348 1066138675 /nfs/dbraw/zinc/13/86/75/1066138675.db2.gz NLRMCJJYYQJXAK-OAQYLSRUSA-N 2 2 484.674 2.690 20 0 JFADLP