smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001325216 194086532 /nfs/dbraw/zinc/08/65/32/194086532.db2.gz AFNJBWLEGFVYDE-QHCPKHFHSA-N 1 1 492.624 4.687 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(F)cc1 ZINC000001325961 194087112 /nfs/dbraw/zinc/08/71/12/194087112.db2.gz IAOCUTNXIRNAQJ-QFIPXVFZSA-N 1 1 452.599 4.659 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374921 194109542 /nfs/dbraw/zinc/10/95/42/194109542.db2.gz OSXQDDGUIMNJGH-JOCHJYFZSA-N 1 1 496.656 4.963 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375521 194110310 /nfs/dbraw/zinc/11/03/10/194110310.db2.gz CPYRFJIWEOVYPB-SANMLTNESA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375521 194110313 /nfs/dbraw/zinc/11/03/13/194110313.db2.gz CPYRFJIWEOVYPB-SANMLTNESA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2cc(O)c(OC)cc21 ZINC000004098236 194377074 /nfs/dbraw/zinc/37/70/74/194377074.db2.gz NCALAYAMQHIWMN-REIDKSKDSA-N 1 1 464.606 4.799 40 0 biogenic,in-vitro JJABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCc3ccccc3F)n2)o1 ZINC000057773526 195360003 /nfs/dbraw/zinc/36/00/03/195360003.db2.gz BSPCRAMYTBFTKM-FCHUYYIVSA-N 1 1 458.537 4.806 40 0 JJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020459860 523169856 /nfs/dbraw/zinc/16/98/56/523169856.db2.gz JGLMEACTENYSAP-LJQANCHMSA-N 1 1 464.031 4.525 40 0 JJABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000019522997 524057859 /nfs/dbraw/zinc/05/78/59/524057859.db2.gz DNGVVGXPLDTSFC-UHFFFAOYSA-N 1 1 483.012 4.500 40 0 JJABMO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1 ZINC000013564977 526740338 /nfs/dbraw/zinc/74/03/38/526740338.db2.gz VCTPQRRURLUWOY-UHFFFAOYSA-N 1 1 478.593 4.967 40 0 JJABMO O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020491209 527255267 /nfs/dbraw/zinc/25/52/67/527255267.db2.gz AQBGNJQZWDJXDS-UHFFFAOYSA-N 1 1 498.608 4.693 40 0 JJABMO O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020491209 527255268 /nfs/dbraw/zinc/25/52/68/527255268.db2.gz AQBGNJQZWDJXDS-UHFFFAOYSA-N 1 1 498.608 4.693 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000044950150 527385682 /nfs/dbraw/zinc/38/56/82/527385682.db2.gz DOODPHQSQYPVKQ-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000044840427 527386245 /nfs/dbraw/zinc/38/62/45/527386245.db2.gz PTNDBJMIMKEFKB-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000020458313 527386298 /nfs/dbraw/zinc/38/62/98/527386298.db2.gz ABFBPRKWJUKJHZ-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c(C)c1 ZINC000000885021 553823732 /nfs/dbraw/zinc/82/37/32/553823732.db2.gz JEGKBDZMPJUQMQ-UHFFFAOYSA-N 1 1 492.689 4.683 40 0 JJABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000924127 553859315 /nfs/dbraw/zinc/85/93/15/553859315.db2.gz TVZBYHDVQDNEHA-UHFFFAOYSA-N 1 1 499.080 4.665 40 0 JJABMO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282943 554526069 /nfs/dbraw/zinc/52/60/69/554526069.db2.gz UMIOEPWXIWADJZ-AREMUKBSSA-N 1 1 498.631 4.707 40 0 JJABMO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282943 554526071 /nfs/dbraw/zinc/52/60/71/554526071.db2.gz UMIOEPWXIWADJZ-AREMUKBSSA-N 1 1 498.631 4.707 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(OC)cc1 ZINC000008829223 554719634 /nfs/dbraw/zinc/71/96/34/554719634.db2.gz HAMZZMBVWRGPBJ-QFIPXVFZSA-N 1 1 464.635 4.528 40 0 JJABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215853 554983719 /nfs/dbraw/zinc/98/37/19/554983719.db2.gz FTTAMGFTVMVPRQ-OPXMRZJTSA-N 1 1 458.986 4.664 40 0 JJABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215853 554983721 /nfs/dbraw/zinc/98/37/21/554983721.db2.gz FTTAMGFTVMVPRQ-OPXMRZJTSA-N 1 1 458.986 4.664 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498539 555421542 /nfs/dbraw/zinc/42/15/42/555421542.db2.gz SSLYUKPIBCOVNP-ZCYQVOJMSA-N 1 1 478.641 4.534 40 0 JJABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013499369 555430836 /nfs/dbraw/zinc/43/08/36/555430836.db2.gz FVAUECURARIGRD-XMMPIXPASA-N 1 1 464.614 4.924 40 0 JJABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499398 555431242 /nfs/dbraw/zinc/43/12/42/555431242.db2.gz OHQUNEHJEUKEDR-QHCPKHFHSA-N 1 1 492.624 4.687 40 0 JJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500085 555436303 /nfs/dbraw/zinc/43/63/03/555436303.db2.gz LVAFIIPZXZDWJY-LOSJGSFVSA-N 1 1 492.668 4.987 40 0 JJABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500146 555436950 /nfs/dbraw/zinc/43/69/50/555436950.db2.gz CQPDUNGQPGAQQW-DEOSSOPVSA-N 1 1 460.582 4.750 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCC3)cc2c1 ZINC000013500282 555438621 /nfs/dbraw/zinc/43/86/21/555438621.db2.gz TXPOSNDPQDAETP-HSZRJFAPSA-N 1 1 466.630 4.810 40 0 JJABMO CC(C)[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500687 555442986 /nfs/dbraw/zinc/44/29/86/555442986.db2.gz FAANZFNZHNECPM-VWLOTQADSA-N 1 1 492.624 4.890 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501146 555447717 /nfs/dbraw/zinc/44/77/17/555447717.db2.gz KYBSEIOYXZWBAQ-AREMUKBSSA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501146 555447719 /nfs/dbraw/zinc/44/77/19/555447719.db2.gz KYBSEIOYXZWBAQ-AREMUKBSSA-N 1 1 486.620 4.776 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020039686 555612999 /nfs/dbraw/zinc/61/29/99/555612999.db2.gz NMMRZEPKBKIRMV-UHFFFAOYSA-N 1 1 495.004 4.873 40 0 JJABMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000013770123 555614339 /nfs/dbraw/zinc/61/43/39/555614339.db2.gz WFADQTHCDCMLNQ-FPTDNZKUSA-N 1 1 462.388 4.556 40 0 JJABMO COCCn1cc(Cn2cc(CC[N@@H+](C)Cc3cn(CCOC)c4ccccc34)cn2)c2ccccc21 ZINC000014000307 555668293 /nfs/dbraw/zinc/66/82/93/555668293.db2.gz CNCTXLZLQUXKLE-UHFFFAOYSA-N 1 1 499.659 4.808 40 0 JJABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Br)c1OCc1ccccc1F ZINC000022075590 555871258 /nfs/dbraw/zinc/87/12/58/555871258.db2.gz FVIJOBNNBMVQNR-UHFFFAOYSA-N 1 1 453.396 4.997 40 0 JJABMO COc1cc([C@@H]2c3cc4c(cc3O[C@]3([NH+]5CCCC5)CCC[C@@H]23)OCO4)cc(OC)c1OC ZINC000015231013 555889482 /nfs/dbraw/zinc/88/94/82/555889482.db2.gz PQIBCMUEYYLERP-GJECAEJISA-N 1 1 453.535 4.558 40 0 JJABMO COc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022942434 555992558 /nfs/dbraw/zinc/99/25/58/555992558.db2.gz BCLUGBPAXIAJJL-UHFFFAOYSA-N 1 1 462.215 4.995 40 0 JJABMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)N2CC[NH+](CCO)CC2)c1C ZINC000023292212 556038330 /nfs/dbraw/zinc/03/83/30/556038330.db2.gz BRRMJPYTWNACOH-XMMPIXPASA-N 1 1 484.065 4.970 40 0 JJABMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000015958441 556089856 /nfs/dbraw/zinc/08/98/56/556089856.db2.gz MGXWFQMOWOODPK-GGPAXRDESA-N 1 1 482.621 4.636 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000015958441 556089860 /nfs/dbraw/zinc/08/98/60/556089860.db2.gz MGXWFQMOWOODPK-GGPAXRDESA-N 1 1 482.621 4.636 40 0 biogenic,in-vitro JJABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064269 556261846 /nfs/dbraw/zinc/26/18/46/556261846.db2.gz HHUIGLGWLWAENS-XMMPIXPASA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064269 556261847 /nfs/dbraw/zinc/26/18/47/556261847.db2.gz HHUIGLGWLWAENS-XMMPIXPASA-N 1 1 464.614 4.924 40 0 JJABMO OCC[N@H+]1CCCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019366089 556345834 /nfs/dbraw/zinc/34/58/34/556345834.db2.gz LOHNHQLZFYCAEQ-UHFFFAOYSA-N 1 1 451.558 4.698 40 0 in-man JJABMO OCCN1CCC[N@H+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019366089 556345837 /nfs/dbraw/zinc/34/58/37/556345837.db2.gz LOHNHQLZFYCAEQ-UHFFFAOYSA-N 1 1 451.558 4.698 40 0 in-man JJABMO OCCN1CCC[N@@H+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019366089 556345839 /nfs/dbraw/zinc/34/58/39/556345839.db2.gz LOHNHQLZFYCAEQ-UHFFFAOYSA-N 1 1 451.558 4.698 40 0 in-man JJABMO CC1=C[C@@H](C[N@H+]2CCC[C@H]2CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 ZINC000035442685 560079730 /nfs/dbraw/zinc/07/97/30/560079730.db2.gz WBFHBKDUQAZAJU-TWVZQSRDSA-N 1 1 452.643 4.656 40 0 biogenic,in-vitro JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582650 562939808 /nfs/dbraw/zinc/93/98/08/562939808.db2.gz DRRVAPPLSGUWQJ-SANMLTNESA-N 1 1 482.588 4.660 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582650 562939809 /nfs/dbraw/zinc/93/98/09/562939809.db2.gz DRRVAPPLSGUWQJ-SANMLTNESA-N 1 1 482.588 4.660 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582768 562939917 /nfs/dbraw/zinc/93/99/17/562939917.db2.gz PMUNYGJMUDYHOB-QFIPXVFZSA-N 1 1 462.594 4.672 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccccc1OC ZINC000008686557 562952792 /nfs/dbraw/zinc/95/27/92/562952792.db2.gz IOVUNJOJGOCLHF-OAQYLSRUSA-N 1 1 464.635 4.528 40 0 JJABMO CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1cccc(C)c1 ZINC000059483888 569605111 /nfs/dbraw/zinc/60/51/11/569605111.db2.gz VXQQRGRGJVVIOY-UHFFFAOYSA-N 1 1 477.586 4.617 40 0 JJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937266 569638982 /nfs/dbraw/zinc/63/89/82/569638982.db2.gz UUVFJJYWKDUWRE-ILBGXUMGSA-N 1 1 478.641 4.678 40 0 JJABMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000100226898 569755788 /nfs/dbraw/zinc/75/57/88/569755788.db2.gz DFXPWTHCOHVSOB-JOCHJYFZSA-N 1 1 475.511 4.703 40 0 JJABMO COc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036628516 569778974 /nfs/dbraw/zinc/77/89/74/569778974.db2.gz JBMLBFMQWOLSBX-UHFFFAOYSA-N 1 1 479.540 4.652 40 0 JJABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Cl)c(C)c1 ZINC000037020855 569781165 /nfs/dbraw/zinc/78/11/65/569781165.db2.gz LMHYWDIVMOFQFT-UHFFFAOYSA-N 1 1 478.058 4.609 40 0 JJABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Cl)c1C ZINC000037020854 569781187 /nfs/dbraw/zinc/78/11/87/569781187.db2.gz XGCIBSBHHXDJHM-UHFFFAOYSA-N 1 1 478.058 4.609 40 0 JJABMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1OC ZINC000038848977 569808885 /nfs/dbraw/zinc/80/88/85/569808885.db2.gz ZIXUCIBJHZDBJF-GOSISDBHSA-N 1 1 451.394 4.582 40 0 JJABMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1OC ZINC000038848977 569808886 /nfs/dbraw/zinc/80/88/86/569808886.db2.gz ZIXUCIBJHZDBJF-GOSISDBHSA-N 1 1 451.394 4.582 40 0 JJABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104148574 569842089 /nfs/dbraw/zinc/84/20/89/569842089.db2.gz KXPQUHHNPNEABT-JBXUNAHCSA-N 1 1 450.538 4.970 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000216295582 569878213 /nfs/dbraw/zinc/87/82/13/569878213.db2.gz YDLUDOPANIMQRT-MUUNZHRXSA-N 1 1 482.609 4.885 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 ZINC000223885895 569926271 /nfs/dbraw/zinc/92/62/71/569926271.db2.gz JIZYIHJVUQSMAV-JLPGSUDCSA-N 1 1 456.571 4.638 40 0 JJABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224576412 569949211 /nfs/dbraw/zinc/94/92/11/569949211.db2.gz VZBPPKQLICZKSB-UHFFFAOYSA-N 1 1 450.966 4.681 40 0 JJABMO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)s1 ZINC000225066632 569973210 /nfs/dbraw/zinc/97/32/10/569973210.db2.gz LQLDURULIKFBPB-UHFFFAOYSA-N 1 1 455.447 4.652 40 0 JJABMO O=C(Nc1ccc(I)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575585 570006741 /nfs/dbraw/zinc/00/67/41/570006741.db2.gz VQZQRDRQTDHPSQ-UHFFFAOYSA-N 1 1 472.729 4.934 40 0 JJABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000225582533 570007439 /nfs/dbraw/zinc/00/74/39/570007439.db2.gz SDJBFHRFVGBUQE-UHFFFAOYSA-N 1 1 493.431 4.781 40 0 JJABMO Cc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)n2)cc1 ZINC000225590042 570008224 /nfs/dbraw/zinc/00/82/24/570008224.db2.gz WRIDGYDOOIRTGF-UHFFFAOYSA-N 1 1 456.949 4.708 40 0 JJABMO CCOc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)n2)cc1 ZINC000225590609 570008227 /nfs/dbraw/zinc/00/82/27/570008227.db2.gz TZMSANORPJYWMK-UHFFFAOYSA-N 1 1 486.975 4.798 40 0 JJABMO COc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc(OC)c1OC ZINC000225909658 570027147 /nfs/dbraw/zinc/02/71/47/570027147.db2.gz WSANXRFXMBWQDO-QGZVFWFLSA-N 1 1 481.420 4.890 40 0 JJABMO COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)cc1Cl ZINC000408879071 570062384 /nfs/dbraw/zinc/06/23/84/570062384.db2.gz AOGAYONZQJRIKI-UHFFFAOYSA-N 1 1 465.981 4.932 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408985207 570092148 /nfs/dbraw/zinc/09/21/48/570092148.db2.gz AFFOKKVKIIOCNU-HSZRJFAPSA-N 1 1 467.591 4.603 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408989529 570093476 /nfs/dbraw/zinc/09/34/76/570093476.db2.gz LBDHMWWPWSMKCO-XMMPIXPASA-N 1 1 481.618 4.911 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408993984 570094986 /nfs/dbraw/zinc/09/49/86/570094986.db2.gz XUNWBMICZBHXGC-QHCPKHFHSA-N 1 1 467.591 4.603 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000253500295 570101332 /nfs/dbraw/zinc/10/13/32/570101332.db2.gz AOKSMOHJHAEEEE-NOZRDPDXSA-N 1 1 478.641 4.865 40 0 JJABMO Cc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 ZINC000409022592 570103405 /nfs/dbraw/zinc/10/34/05/570103405.db2.gz BVYYJEDPWRXBJS-UHFFFAOYSA-N 1 1 481.640 4.781 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000257212267 570111784 /nfs/dbraw/zinc/11/17/84/570111784.db2.gz CCOWRNBXRFRDLC-XMMPIXPASA-N 1 1 470.552 4.786 40 0 JJABMO CN1C(=O)CO[C@H]2CC[N@H+](Cc3cc(OCc4ccccc4)ccc3OCc3ccccc3)CC[C@@H]21 ZINC000257216418 570113020 /nfs/dbraw/zinc/11/30/20/570113020.db2.gz CULNPWVXUKIUHO-YTMVLYRLSA-N 1 1 486.612 4.666 40 0 JJABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3ccc(F)cc3F)C2)ccc1Cl ZINC000257235148 570118714 /nfs/dbraw/zinc/11/87/14/570118714.db2.gz GWQVCJWGMGLKIP-AREMUKBSSA-N 1 1 492.994 4.837 40 0 JJABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3ccc(F)cc3F)C2)ccc1Cl ZINC000257235148 570118715 /nfs/dbraw/zinc/11/87/15/570118715.db2.gz GWQVCJWGMGLKIP-AREMUKBSSA-N 1 1 492.994 4.837 40 0 JJABMO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3cccc(F)c3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000257252857 570123941 /nfs/dbraw/zinc/12/39/41/570123941.db2.gz JWIVCPKLIXOZFS-BKMJKUGQSA-N 1 1 452.595 4.775 40 0 JJABMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3cccc(F)c3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000257252857 570123942 /nfs/dbraw/zinc/12/39/42/570123942.db2.gz JWIVCPKLIXOZFS-BKMJKUGQSA-N 1 1 452.595 4.775 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)c1 ZINC000257270441 570129743 /nfs/dbraw/zinc/12/97/43/570129743.db2.gz MUGJNXBAJIASPF-VBOOUTDYSA-N 1 1 474.580 4.784 40 0 JJABMO CC(C)(C)C(=O)NC[C@@](O)(c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278441 570132146 /nfs/dbraw/zinc/13/21/46/570132146.db2.gz OCHSIOFWBVFHAX-UUOWRZLLSA-N 1 1 464.437 4.651 40 0 JJABMO CC(C)(C)C(=O)NC[C@@](O)(c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278441 570132148 /nfs/dbraw/zinc/13/21/48/570132148.db2.gz OCHSIOFWBVFHAX-UUOWRZLLSA-N 1 1 464.437 4.651 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)C1 ZINC000257280652 570132874 /nfs/dbraw/zinc/13/28/74/570132874.db2.gz OLSYZFCTVXHGLU-DQEYMECFSA-N 1 1 450.966 4.724 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)c1 ZINC000257289369 570135371 /nfs/dbraw/zinc/13/53/71/570135371.db2.gz PYHLABBOUQGRLQ-UHFFFAOYSA-N 1 1 471.536 4.981 40 0 JJABMO Cc1ccc(N2C[C@]3(CCC[N@@H+](Cc4cccc(OCc5ccccn5)c4)CC3)OCC2=O)cc1 ZINC000257290168 570135513 /nfs/dbraw/zinc/13/55/13/570135513.db2.gz QBWFKBUOJBROFG-GDLZYMKVSA-N 1 1 471.601 4.757 40 0 JJABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257290514 570135678 /nfs/dbraw/zinc/13/56/78/570135678.db2.gz QDGHWPUBBMBJPE-AHKZPQOWSA-N 1 1 452.595 4.644 40 0 JJABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257290514 570135679 /nfs/dbraw/zinc/13/56/79/570135679.db2.gz QDGHWPUBBMBJPE-AHKZPQOWSA-N 1 1 452.595 4.644 40 0 JJABMO C[N@H+]1CCC[C@@](CCCc2cnccn2)(C(=O)N2CCC(Cc3ccc4ncccc4c3)CC2)C1 ZINC000257290593 570135714 /nfs/dbraw/zinc/13/57/14/570135714.db2.gz QDNLHAYMXLRRIK-GDLZYMKVSA-N 1 1 471.649 4.541 40 0 JJABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+]2Cc2cccc(-c3cccc(F)c3)c2)c1 ZINC000257296831 570137504 /nfs/dbraw/zinc/13/75/04/570137504.db2.gz RENVBZRWPRGIHR-VWLOTQADSA-N 1 1 467.548 4.968 40 0 JJABMO O=C(COc1ccccc1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)C[N@H+]2Cc1ccccc1 ZINC000257298925 570138020 /nfs/dbraw/zinc/13/80/20/570138020.db2.gz RNXBAKCIRIOVEX-DPZBCOQUSA-N 1 1 462.540 4.860 40 0 JJABMO Cn1c2ccc(C[N@H+]3CC[C@@H](Nc4cccc(F)c4)[C@@H](Cc4ccccc4)C3)cc2n(C)c1=O ZINC000257299619 570138344 /nfs/dbraw/zinc/13/83/44/570138344.db2.gz RQUPZFWXTUVTPO-WIOPSUGQSA-N 1 1 458.581 4.561 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(F)c2)Cc2cccc(Cl)c2)C1 ZINC000257303220 570139357 /nfs/dbraw/zinc/13/93/57/570139357.db2.gz SGGPRQLGSJMKKM-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(F)c2)Cc2cccc(Cl)c2)C1 ZINC000257303220 570139358 /nfs/dbraw/zinc/13/93/58/570139358.db2.gz SGGPRQLGSJMKKM-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(F)cc1 ZINC000001325966 194087073 /nfs/dbraw/zinc/08/70/73/194087073.db2.gz IAOCUTNXIRNAQJ-JOCHJYFZSA-N 1 1 452.599 4.659 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375647 194110148 /nfs/dbraw/zinc/11/01/48/194110148.db2.gz CXFUQAPEVRBBJQ-SANMLTNESA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375647 194110152 /nfs/dbraw/zinc/11/01/52/194110152.db2.gz CXFUQAPEVRBBJQ-SANMLTNESA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374194 194108205 /nfs/dbraw/zinc/10/82/05/194108205.db2.gz PEDYESPSYDVFRD-RUZDIDTESA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374194 194108208 /nfs/dbraw/zinc/10/82/08/194108208.db2.gz PEDYESPSYDVFRD-RUZDIDTESA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000001374655 194109186 /nfs/dbraw/zinc/10/91/86/194109186.db2.gz XEYKFBUZUQCXJY-QHCPKHFHSA-N 1 1 450.587 4.534 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000001374655 194109189 /nfs/dbraw/zinc/10/91/89/194109189.db2.gz XEYKFBUZUQCXJY-QHCPKHFHSA-N 1 1 450.587 4.534 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cccc(OC)c1 ZINC000012635650 195067338 /nfs/dbraw/zinc/06/73/38/195067338.db2.gz LLJJVIIYTKJCDV-QHCPKHFHSA-N 1 1 478.662 4.837 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000012707776 195093244 /nfs/dbraw/zinc/09/32/44/195093244.db2.gz JCQCMAIMUIQNOV-OAQYLSRUSA-N 1 1 468.985 4.709 40 0 JJABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000057761775 195359436 /nfs/dbraw/zinc/35/94/36/195359436.db2.gz YPLWWPIQKJKEQV-LIMIJEPZSA-N 1 1 459.468 4.779 40 0 JJABMO COc1ccccc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000057761778 195359598 /nfs/dbraw/zinc/35/95/98/195359598.db2.gz COWBWSULMCBYLD-NHJWOMDBSA-N 1 1 459.468 4.779 40 0 JJABMO COc1ccccc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000057761778 195359601 /nfs/dbraw/zinc/35/96/01/195359601.db2.gz COWBWSULMCBYLD-NHJWOMDBSA-N 1 1 459.468 4.779 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000016681577 521699182 /nfs/dbraw/zinc/69/91/82/521699182.db2.gz BCILAQIEKNLUNP-UHFFFAOYSA-N 1 1 471.841 4.916 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000016681569 521699338 /nfs/dbraw/zinc/69/93/38/521699338.db2.gz OFYNQNFKDNREKO-UHFFFAOYSA-N 1 1 459.059 4.906 40 0 JJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044880742 523020764 /nfs/dbraw/zinc/02/07/64/523020764.db2.gz TVMFMKRPUNVOHJ-FQEVSTJZSA-N 1 1 478.058 4.834 40 0 JJABMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c(Cl)c2)cc1 ZINC000044946419 525600963 /nfs/dbraw/zinc/60/09/63/525600963.db2.gz QHNQUYVCZXMZQG-KDURUIRLSA-N 1 1 478.058 4.547 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020453009 527374699 /nfs/dbraw/zinc/37/46/99/527374699.db2.gz GPWCIHYLRXYKMB-UHFFFAOYSA-N 1 1 480.977 4.565 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020482162 527385429 /nfs/dbraw/zinc/38/54/29/527385429.db2.gz QNTZWSSDXIWIGD-LJAQVGFWSA-N 1 1 496.636 4.927 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000020106573 527385666 /nfs/dbraw/zinc/38/56/66/527385666.db2.gz VAEXEXVPNPGQEG-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000843561 553794255 /nfs/dbraw/zinc/79/42/55/553794255.db2.gz SOYIIHBEFSVGGN-LOSJGSFVSA-N 1 1 456.477 4.647 40 0 JJABMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000843641 553794415 /nfs/dbraw/zinc/79/44/15/553794415.db2.gz RGDFFBKUWBZCME-UIOOFZCWSA-N 1 1 452.514 4.816 40 0 JJABMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000843638 553794533 /nfs/dbraw/zinc/79/45/33/553794533.db2.gz RGDFFBKUWBZCME-CLJLJLNGSA-N 1 1 452.514 4.816 40 0 JJABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)[N@H+](C)C2CCCCC2)cc1 ZINC000006301929 554530284 /nfs/dbraw/zinc/53/02/84/554530284.db2.gz PPUJPQMMNBOMMU-AREMUKBSSA-N 1 1 486.620 4.542 40 0 JJABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)[N@@H+](C)C2CCCCC2)cc1 ZINC000006301929 554530290 /nfs/dbraw/zinc/53/02/90/554530290.db2.gz PPUJPQMMNBOMMU-AREMUKBSSA-N 1 1 486.620 4.542 40 0 JJABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009332617 555101691 /nfs/dbraw/zinc/10/16/91/555101691.db2.gz CMIBTSDRLYJTPQ-VPBXCIAMSA-N 1 1 483.955 4.803 40 0 JJABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009332617 555101695 /nfs/dbraw/zinc/10/16/95/555101695.db2.gz CMIBTSDRLYJTPQ-VPBXCIAMSA-N 1 1 483.955 4.803 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494533 555404850 /nfs/dbraw/zinc/40/48/50/555404850.db2.gz YPOSBVGTFOCJRX-HSZRJFAPSA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494533 555404854 /nfs/dbraw/zinc/40/48/54/555404854.db2.gz YPOSBVGTFOCJRX-HSZRJFAPSA-N 1 1 458.610 4.774 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494545 555405035 /nfs/dbraw/zinc/40/50/35/555405035.db2.gz OYURSUXSUXZMSB-VWLOTQADSA-N 1 1 488.636 4.864 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494545 555405038 /nfs/dbraw/zinc/40/50/38/555405038.db2.gz OYURSUXSUXZMSB-VWLOTQADSA-N 1 1 488.636 4.864 40 0 JJABMO COc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498611 555422518 /nfs/dbraw/zinc/42/25/18/555422518.db2.gz OVHGJZVZDLQSIH-VWLOTQADSA-N 1 1 488.636 4.720 40 0 JJABMO COc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498611 555422521 /nfs/dbraw/zinc/42/25/21/555422521.db2.gz OVHGJZVZDLQSIH-VWLOTQADSA-N 1 1 488.636 4.720 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499484 555432234 /nfs/dbraw/zinc/43/22/34/555432234.db2.gz NYUGHFWAKWNBSD-AHWVRZQESA-N 1 1 492.668 4.987 40 0 JJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500161 555437217 /nfs/dbraw/zinc/43/72/17/555437217.db2.gz AOMGFNKEJMBVMM-UKILVPOCSA-N 1 1 478.641 4.678 40 0 JJABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500173 555437308 /nfs/dbraw/zinc/43/73/08/555437308.db2.gz QXLJBPATFHNSTE-HSZRJFAPSA-N 1 1 466.630 4.954 40 0 JJABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500173 555437310 /nfs/dbraw/zinc/43/73/10/555437310.db2.gz QXLJBPATFHNSTE-HSZRJFAPSA-N 1 1 466.630 4.954 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500651 555442538 /nfs/dbraw/zinc/44/25/38/555442538.db2.gz WDHTVSRQCNPJFB-ZCYQVOJMSA-N 1 1 478.641 4.534 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)cc2c1 ZINC000013500671 555442630 /nfs/dbraw/zinc/44/26/30/555442630.db2.gz GKBOAKUEGFSWAV-RUZDIDTESA-N 1 1 490.608 4.697 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501144 555447763 /nfs/dbraw/zinc/44/77/63/555447763.db2.gz MJCXWTXGTFPNLF-RUZDIDTESA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501144 555447765 /nfs/dbraw/zinc/44/77/65/555447765.db2.gz MJCXWTXGTFPNLF-RUZDIDTESA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501116 555447768 /nfs/dbraw/zinc/44/77/68/555447768.db2.gz JVTKVZGJKVKDIA-RUZDIDTESA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501116 555447769 /nfs/dbraw/zinc/44/77/69/555447769.db2.gz JVTKVZGJKVKDIA-RUZDIDTESA-N 1 1 470.621 4.962 40 0 JJABMO Cc1sc(NC(=O)C[NH+]2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013564971 555500594 /nfs/dbraw/zinc/50/05/94/555500594.db2.gz UTLGKAYIUWHEFR-UHFFFAOYSA-N 1 1 460.603 4.664 40 0 JJABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Cl)cc1C ZINC000013668714 555557759 /nfs/dbraw/zinc/55/77/59/555557759.db2.gz JFDRPAOGNBZWQD-UHFFFAOYSA-N 1 1 478.058 4.609 40 0 JJABMO CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020098292 555632876 /nfs/dbraw/zinc/63/28/76/555632876.db2.gz SXLIMEMTJFMVKW-VWLOTQADSA-N 1 1 472.662 4.986 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc12 ZINC000020109198 555644980 /nfs/dbraw/zinc/64/49/80/555644980.db2.gz PHTRSAXDDJDXEU-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020137555 555661515 /nfs/dbraw/zinc/66/15/15/555661515.db2.gz PMRKPQKSSUBWOC-UHFFFAOYSA-N 1 1 467.525 4.618 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000014277218 555785414 /nfs/dbraw/zinc/78/54/14/555785414.db2.gz YYQDBGHNPIKZPP-UHFFFAOYSA-N 1 1 479.049 4.737 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000016681590 556151197 /nfs/dbraw/zinc/15/11/97/556151197.db2.gz BQMBUSMHUCCNCA-UHFFFAOYSA-N 1 1 453.011 4.762 40 0 JJABMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000026770871 556260827 /nfs/dbraw/zinc/26/08/27/556260827.db2.gz IRGQTWWLZIQQSR-RUZDIDTESA-N 1 1 479.646 4.971 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000013063753 556261189 /nfs/dbraw/zinc/26/11/89/556261189.db2.gz DJZVTTUJIAHGHA-DEOSSOPVSA-N 1 1 460.582 4.614 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000013063753 556261192 /nfs/dbraw/zinc/26/11/92/556261192.db2.gz DJZVTTUJIAHGHA-DEOSSOPVSA-N 1 1 460.582 4.614 40 0 JJABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064419 556261942 /nfs/dbraw/zinc/26/19/42/556261942.db2.gz SPBVZKUJMXXSNO-HSZRJFAPSA-N 1 1 492.624 4.687 40 0 JJABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064419 556261943 /nfs/dbraw/zinc/26/19/43/556261943.db2.gz SPBVZKUJMXXSNO-HSZRJFAPSA-N 1 1 492.624 4.687 40 0 JJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030865763 556383273 /nfs/dbraw/zinc/38/32/73/556383273.db2.gz WSBFLHFKFDMGHE-FQEVSTJZSA-N 1 1 478.058 4.834 40 0 JJABMO CC(=O)c1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3cccs3)nc(C)n2)c1 ZINC000008635933 560106837 /nfs/dbraw/zinc/10/68/37/560106837.db2.gz VNPRPSZAIQIUCD-NNWRFLSQSA-N 1 1 475.618 4.716 40 0 biogenic,in-vitro JJABMO CC(=O)c1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3cccs3)nc(C)n2)c1 ZINC000008635933 560106838 /nfs/dbraw/zinc/10/68/38/560106838.db2.gz VNPRPSZAIQIUCD-NNWRFLSQSA-N 1 1 475.618 4.716 40 0 biogenic,in-vitro JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582651 562939800 /nfs/dbraw/zinc/93/98/00/562939800.db2.gz DRRVAPPLSGUWQJ-AREMUKBSSA-N 1 1 482.588 4.660 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582651 562939801 /nfs/dbraw/zinc/93/98/01/562939801.db2.gz DRRVAPPLSGUWQJ-AREMUKBSSA-N 1 1 482.588 4.660 40 0 JJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000033937310 569638783 /nfs/dbraw/zinc/63/87/83/569638783.db2.gz AOMGFNKEJMBVMM-ILBGXUMGSA-N 1 1 478.641 4.678 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000033937299 569638838 /nfs/dbraw/zinc/63/88/38/569638838.db2.gz LVAFIIPZXZDWJY-RPBOFIJWSA-N 1 1 492.668 4.987 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937265 569638904 /nfs/dbraw/zinc/63/89/04/569638904.db2.gz UUVFJJYWKDUWRE-NOZRDPDXSA-N 1 1 478.641 4.678 40 0 JJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000033937380 569639125 /nfs/dbraw/zinc/63/91/25/569639125.db2.gz NZJUJTGIPKBIGP-RPWUZVMVSA-N 1 1 478.641 4.596 40 0 JJABMO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834823 569808720 /nfs/dbraw/zinc/80/87/20/569808720.db2.gz DDSAMVHOINUAJP-HNNXBMFYSA-N 1 1 454.739 4.795 40 0 JJABMO COc1c(Br)cc(Br)cc1C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000107805260 569857448 /nfs/dbraw/zinc/85/74/48/569857448.db2.gz ZQCHWWBSMZLZID-UHFFFAOYSA-N 1 1 484.257 4.714 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000216295533 569878221 /nfs/dbraw/zinc/87/82/21/569878221.db2.gz YDLUDOPANIMQRT-NDEPHWFRSA-N 1 1 482.609 4.885 40 0 JJABMO CC(C)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)s1 ZINC000223168435 569901829 /nfs/dbraw/zinc/90/18/29/569901829.db2.gz ZXNOZIAAXMMHPT-UHFFFAOYSA-N 1 1 469.474 4.899 40 0 JJABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1Cl ZINC000224137604 569934196 /nfs/dbraw/zinc/93/41/96/569934196.db2.gz SGJCTLBAFMRMTQ-UHFFFAOYSA-N 1 1 450.966 4.886 40 0 JJABMO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)ccc21 ZINC000225055883 569972296 /nfs/dbraw/zinc/97/22/96/569972296.db2.gz VQBNWAVOBWAUPA-UHFFFAOYSA-N 1 1 450.391 4.758 40 0 JJABMO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000225094973 569974644 /nfs/dbraw/zinc/97/46/44/569974644.db2.gz OBIBVEKJSJTQFL-MRXNPFEDSA-N 1 1 461.400 4.556 40 0 JJABMO O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577835 570007012 /nfs/dbraw/zinc/00/70/12/570007012.db2.gz SQZDOFUXHUFGGN-UHFFFAOYSA-N 1 1 494.032 4.504 40 0 JJABMO O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579504 570007085 /nfs/dbraw/zinc/00/70/85/570007085.db2.gz PHSHURXHVZTQBE-UHFFFAOYSA-N 1 1 469.944 4.853 40 0 JJABMO O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584259 570007559 /nfs/dbraw/zinc/00/75/59/570007559.db2.gz DCLHUJUIRACJHY-UHFFFAOYSA-N 1 1 457.977 4.956 40 0 JJABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@@H](C)C4)cc3)CCOCC2)cc1 ZINC000225584586 570007637 /nfs/dbraw/zinc/00/76/37/570007637.db2.gz KXKBWTKDOGYVHY-JOCHJYFZSA-N 1 1 466.622 4.883 40 0 JJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1OC ZINC000227307884 570040294 /nfs/dbraw/zinc/04/02/94/570040294.db2.gz QMCWWSIWHWTGHS-HFZDXXHNSA-N 1 1 463.553 4.621 40 0 JJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1OC ZINC000227307871 570040338 /nfs/dbraw/zinc/04/03/38/570040338.db2.gz QMCWWSIWHWTGHS-QFQXNSOFSA-N 1 1 463.553 4.621 40 0 JJABMO C=C1[NH+]=C(SCc2cccc(C)c2)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408986483 570092471 /nfs/dbraw/zinc/09/24/71/570092471.db2.gz COKDIKUAJSFCSH-QFIPXVFZSA-N 1 1 470.591 4.792 40 0 JJABMO C=C1[NH+]=C(SCc2cccc(F)c2)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408992952 570094645 /nfs/dbraw/zinc/09/46/45/570094645.db2.gz VERZYIMDCXDXJX-OAQYLSRUSA-N 1 1 474.554 4.622 40 0 JJABMO COc1ccccc1-c1cccc(CC2(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CCOCC2)c1 ZINC000257200257 570107902 /nfs/dbraw/zinc/10/79/02/570107902.db2.gz ACPGNUXKSSIGCT-QFIPXVFZSA-N 1 1 450.623 4.692 40 0 JJABMO COc1ccccc1-c1cccc(CC2(C(=O)NCC[N@H+]3CCCC[C@H]3C)CCOCC2)c1 ZINC000257200256 570107942 /nfs/dbraw/zinc/10/79/42/570107942.db2.gz ACPGNUXKSSIGCT-JOCHJYFZSA-N 1 1 450.623 4.692 40 0 JJABMO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257201027 570107995 /nfs/dbraw/zinc/10/79/95/570107995.db2.gz AFVWLGQUROVZPA-HXUWFJFHSA-N 1 1 455.961 4.896 40 0 JJABMO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257201027 570107996 /nfs/dbraw/zinc/10/79/96/570107996.db2.gz AFVWLGQUROVZPA-HXUWFJFHSA-N 1 1 455.961 4.896 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257202811 570108619 /nfs/dbraw/zinc/10/86/19/570108619.db2.gz ANNKNWZVJOJFEU-NRFANRHFSA-N 1 1 471.536 4.981 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC2(C[C@H](Oc3ccc(Cl)cc3)CO2)CC1 ZINC000257241898 570120621 /nfs/dbraw/zinc/12/06/21/570120621.db2.gz IADKPZHTDYMRGA-QHCPKHFHSA-N 1 1 465.981 4.736 40 0 JJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCN(C(C)=O)C[C@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000257247719 570122439 /nfs/dbraw/zinc/12/24/39/570122439.db2.gz JADYPPXNAHFGSO-HSZRJFAPSA-N 1 1 468.601 4.762 40 0 JJABMO COc1ccc(C(=O)N2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1NCc1ccncc1 ZINC000257260759 570126583 /nfs/dbraw/zinc/12/65/83/570126583.db2.gz LEFRZLFULBGZQW-AHKZPQOWSA-N 1 1 470.617 4.829 40 0 JJABMO CC(C)(C)C(=O)NC[C@](O)(c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278438 570132136 /nfs/dbraw/zinc/13/21/36/570132136.db2.gz OCHSIOFWBVFHAX-HOYKHHGWSA-N 1 1 464.437 4.651 40 0 JJABMO CC(C)(C)C(=O)NC[C@](O)(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278438 570132137 /nfs/dbraw/zinc/13/21/37/570132137.db2.gz OCHSIOFWBVFHAX-HOYKHHGWSA-N 1 1 464.437 4.651 40 0 JJABMO C[N@H+]1CCC[C@](CCCc2cnccn2)(C(=O)N2CCC(Cc3cccc4cccnc43)CC2)C1 ZINC000257281038 570132982 /nfs/dbraw/zinc/13/29/82/570132982.db2.gz ONJPGSBWMOHNQZ-LJAQVGFWSA-N 1 1 471.649 4.541 40 0 JJABMO O=C(c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1)N1CCc2ccccc2C1 ZINC000257292317 570136217 /nfs/dbraw/zinc/13/62/17/570136217.db2.gz QKYHMZILXDHCHU-RUZDIDTESA-N 1 1 469.633 4.588 40 0 JJABMO Cc1ccsc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257297028 570137657 /nfs/dbraw/zinc/13/76/57/570137657.db2.gz RFLLZUOJTKZOKA-RUZDIDTESA-N 1 1 477.070 4.928 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccc(F)c3)C2)c1 ZINC000257341081 570150728 /nfs/dbraw/zinc/15/07/28/570150728.db2.gz ZIUAZHCETMNTMD-QFIPXVFZSA-N 1 1 471.536 4.981 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)c1 ZINC000257342125 570151026 /nfs/dbraw/zinc/15/10/26/570151026.db2.gz ZNEINBMZVJWFHS-UHFFFAOYSA-N 1 1 471.536 4.981 40 0 JJABMO CCc1cc([C@H](c2ccc(SC)cc2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298704 194082360 /nfs/dbraw/zinc/08/23/60/194082360.db2.gz LTODAVKQUBFYAX-VWLOTQADSA-N 1 1 495.714 4.984 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001325152 194086049 /nfs/dbraw/zinc/08/60/49/194086049.db2.gz BRFANIXVGRFHEN-JOCHJYFZSA-N 1 1 494.640 4.717 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000001374407 194108691 /nfs/dbraw/zinc/10/86/91/194108691.db2.gz IKRUZZPEHMDGFM-HSZRJFAPSA-N 1 1 450.587 4.534 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000001374407 194108693 /nfs/dbraw/zinc/10/86/93/194108693.db2.gz IKRUZZPEHMDGFM-HSZRJFAPSA-N 1 1 450.587 4.534 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000001374439 194108763 /nfs/dbraw/zinc/10/87/63/194108763.db2.gz IAIZJNPZQJPXKE-AREMUKBSSA-N 1 1 486.620 4.858 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375171 194109463 /nfs/dbraw/zinc/10/94/63/194109463.db2.gz YKUDLPURSRJXLO-XMMPIXPASA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375171 194109466 /nfs/dbraw/zinc/10/94/66/194109466.db2.gz YKUDLPURSRJXLO-XMMPIXPASA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375372 194109721 /nfs/dbraw/zinc/10/97/21/194109721.db2.gz KYDNTSUNLMFXKB-DEOSSOPVSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375372 194109723 /nfs/dbraw/zinc/10/97/23/194109723.db2.gz KYDNTSUNLMFXKB-DEOSSOPVSA-N 1 1 460.582 4.669 40 0 JJABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(NC(=O)Nc5cccc(F)c5)ccc43)C2)c2ccccc21 ZINC000003842061 194363841 /nfs/dbraw/zinc/36/38/41/194363841.db2.gz SFMHXXGCVWMVRB-RBUKOAKNSA-N 1 1 485.563 4.742 40 0 biogenic,in-vitro JJABMO CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000012640462 195070147 /nfs/dbraw/zinc/07/01/47/195070147.db2.gz XUZOXQAOBPGDFT-UHFFFAOYSA-N 1 1 491.514 4.523 40 0 JJABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057613755 195353593 /nfs/dbraw/zinc/35/35/93/195353593.db2.gz HTNOGSKFTDAEEX-SANMLTNESA-N 1 1 486.620 4.510 40 0 JJABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057613755 195353595 /nfs/dbraw/zinc/35/35/95/195353595.db2.gz HTNOGSKFTDAEEX-SANMLTNESA-N 1 1 486.620 4.510 40 0 JJABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3cnc4ccccc4c3)C2)cc1 ZINC000020503524 519708093 /nfs/dbraw/zinc/70/80/93/519708093.db2.gz VNAKUUJHEWECRP-XUZZJYLKSA-N 1 1 464.569 4.641 40 0 biogenic,in-vitro JJABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149292 521373627 /nfs/dbraw/zinc/37/36/27/521373627.db2.gz FJOZBDPBIMHSAD-HSZRJFAPSA-N 1 1 478.641 4.804 40 0 JJABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149292 521373631 /nfs/dbraw/zinc/37/36/31/521373631.db2.gz FJOZBDPBIMHSAD-HSZRJFAPSA-N 1 1 478.641 4.804 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501129 523130817 /nfs/dbraw/zinc/13/08/17/523130817.db2.gz PMQZJXRIQXKDCM-QHCPKHFHSA-N 1 1 460.582 4.750 40 0 JJABMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1OC ZINC000000843565 553794318 /nfs/dbraw/zinc/79/43/18/553794318.db2.gz CRPWIJSUYRXLER-FTJBHMTQSA-N 1 1 452.514 4.816 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927238 553863787 /nfs/dbraw/zinc/86/37/87/553863787.db2.gz VDMUXWIBUTZHTG-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927238 553863791 /nfs/dbraw/zinc/86/37/91/553863791.db2.gz VDMUXWIBUTZHTG-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2cc(O)c(OC)cc21 ZINC000005733285 554493171 /nfs/dbraw/zinc/49/31/71/554493171.db2.gz NCALAYAMQHIWMN-YQOVMPOYSA-N 1 1 464.606 4.799 40 0 biogenic,in-vitro JJABMO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282889 554525972 /nfs/dbraw/zinc/52/59/72/554525972.db2.gz MDAOUOQJNROLRS-XMMPIXPASA-N 1 1 476.625 4.774 40 0 JJABMO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282889 554525975 /nfs/dbraw/zinc/52/59/75/554525975.db2.gz MDAOUOQJNROLRS-XMMPIXPASA-N 1 1 476.625 4.774 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000008831715 554723360 /nfs/dbraw/zinc/72/33/60/554723360.db2.gz YRTIWVGWBKEUBX-UHFFFAOYSA-N 1 1 457.814 4.525 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000008831744 554723645 /nfs/dbraw/zinc/72/36/45/554723645.db2.gz AFXHIFGKMXZKIA-BJMVGYQFSA-N 1 1 463.434 4.662 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495899 555409851 /nfs/dbraw/zinc/40/98/51/555409851.db2.gz SVFVEFLHSATXFS-MHZLTWQESA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495899 555409855 /nfs/dbraw/zinc/40/98/55/555409855.db2.gz SVFVEFLHSATXFS-MHZLTWQESA-N 1 1 496.615 4.969 40 0 JJABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013498624 555422902 /nfs/dbraw/zinc/42/29/02/555422902.db2.gz GKYSFFQZJSXVTF-QHCPKHFHSA-N 1 1 466.630 4.810 40 0 JJABMO Cc1cc2cc(C[N@H+]([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000013498905 555425961 /nfs/dbraw/zinc/42/59/61/555425961.db2.gz PGSNHSLHVLPSHU-AHWVRZQESA-N 1 1 492.668 4.842 40 0 JJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499483 555432139 /nfs/dbraw/zinc/43/21/39/555432139.db2.gz NYUGHFWAKWNBSD-AZGAKELHSA-N 1 1 492.668 4.987 40 0 JJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499581 555432939 /nfs/dbraw/zinc/43/29/39/555432939.db2.gz YNCQMVVZCYBUEJ-JYFHCDHNSA-N 1 1 492.668 4.987 40 0 JJABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500183 555437237 /nfs/dbraw/zinc/43/72/37/555437237.db2.gz TWRBDNIYCYRWAR-RUZDIDTESA-N 1 1 490.608 4.841 40 0 JJABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500183 555437238 /nfs/dbraw/zinc/43/72/38/555437238.db2.gz TWRBDNIYCYRWAR-RUZDIDTESA-N 1 1 490.608 4.841 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501128 555447638 /nfs/dbraw/zinc/44/76/38/555447638.db2.gz PMQZJXRIQXKDCM-HSZRJFAPSA-N 1 1 460.582 4.750 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000020110460 555646671 /nfs/dbraw/zinc/64/66/71/555646671.db2.gz RVQJBHSZOBRAPT-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c1 ZINC000014271786 555767637 /nfs/dbraw/zinc/76/76/37/555767637.db2.gz RDJASHVKBMJAQP-UHFFFAOYSA-N 1 1 462.594 4.583 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000014271822 555767876 /nfs/dbraw/zinc/76/78/76/555767876.db2.gz BFONFZNOIOLJGC-UHFFFAOYSA-N 1 1 465.022 4.886 40 0 JJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc(Cl)cc1 ZINC000014277108 555785066 /nfs/dbraw/zinc/78/50/66/555785066.db2.gz LSOPIUJBTFTRAH-UHFFFAOYSA-N 1 1 483.012 4.928 40 0 JJABMO COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000014277160 555785580 /nfs/dbraw/zinc/78/55/80/555785580.db2.gz OLABOGNTKCEYJS-UHFFFAOYSA-N 1 1 492.620 4.592 40 0 JJABMO O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000017356549 556259458 /nfs/dbraw/zinc/25/94/58/556259458.db2.gz JPFZLKOQPZTWNY-UHFFFAOYSA-N 1 1 485.603 4.612 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013064045 556261516 /nfs/dbraw/zinc/26/15/16/556261516.db2.gz WBMRBCYTCCIQRH-XMMPIXPASA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064420 556261921 /nfs/dbraw/zinc/26/19/21/556261921.db2.gz SPBVZKUJMXXSNO-QHCPKHFHSA-N 1 1 492.624 4.687 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064420 556261923 /nfs/dbraw/zinc/26/19/23/556261923.db2.gz SPBVZKUJMXXSNO-QHCPKHFHSA-N 1 1 492.624 4.687 40 0 JJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064628 556262271 /nfs/dbraw/zinc/26/22/71/556262271.db2.gz DXRDHHJJYSLTAL-ZCYQVOJMSA-N 1 1 478.641 4.596 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026851733 556264698 /nfs/dbraw/zinc/26/46/98/556264698.db2.gz XCJBUTYEPXPYJJ-DOIPELPJSA-N 1 1 452.913 4.610 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026851733 556264702 /nfs/dbraw/zinc/26/47/02/556264702.db2.gz XCJBUTYEPXPYJJ-DOIPELPJSA-N 1 1 452.913 4.610 40 0 JJABMO Cc1cc(C)c2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000019569254 556355401 /nfs/dbraw/zinc/35/54/01/556355401.db2.gz RSGKHEQWWKUJNB-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)cc12 ZINC000019824137 556395112 /nfs/dbraw/zinc/39/51/12/556395112.db2.gz HOQOWNFMNMCPOE-UHFFFAOYSA-N 1 1 499.080 4.720 40 0 JJABMO C[C@@]1(O)CC[N@@H+](CCCc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288901 560033972 /nfs/dbraw/zinc/03/39/72/560033972.db2.gz CWHUFLSATFZWID-KYPHJKQUSA-N 1 1 452.595 4.816 40 0 biogenic,in-vitro JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008582674 562939811 /nfs/dbraw/zinc/93/98/11/562939811.db2.gz AYOKKHOJNMLLPS-VWLOTQADSA-N 1 1 482.588 4.660 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008582674 562939812 /nfs/dbraw/zinc/93/98/12/562939812.db2.gz AYOKKHOJNMLLPS-VWLOTQADSA-N 1 1 482.588 4.660 40 0 JJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccccc1Cl ZINC000059559056 569606803 /nfs/dbraw/zinc/60/68/03/569606803.db2.gz WWDIWSVYRGWZCK-UHFFFAOYSA-N 1 1 483.012 4.928 40 0 JJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937276 569638965 /nfs/dbraw/zinc/63/89/65/569638965.db2.gz NYUGHFWAKWNBSD-AOYPEHQESA-N 1 1 492.668 4.987 40 0 JJABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000035829945 569713224 /nfs/dbraw/zinc/71/32/24/569713224.db2.gz DJMFSEKRFSDDHX-WWEDSPNTSA-N 1 1 458.558 4.875 40 0 JJABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000035829945 569713226 /nfs/dbraw/zinc/71/32/26/569713226.db2.gz DJMFSEKRFSDDHX-WWEDSPNTSA-N 1 1 458.558 4.875 40 0 JJABMO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095533209 569725502 /nfs/dbraw/zinc/72/55/02/569725502.db2.gz BANVJFJXKBHLQE-XLGZKVCWSA-N 1 1 462.678 4.986 40 0 JJABMO O=c1c2c(nc3cc([C@H]4CCC[NH+](Cc5ccccc5F)C4)[n-]n31)CC[N@@H+](Cc1ccccc1F)C2 ZINC000100493045 569762214 /nfs/dbraw/zinc/76/22/14/569762214.db2.gz XXVKMQPQNAZQFD-NRFANRHFSA-N 1 1 489.570 4.651 40 0 JJABMO O=c1c2c(nc3cc([C@H]4CCC[NH+](Cc5ccccc5F)C4)[n-]n31)CC[N@H+](Cc1ccccc1F)C2 ZINC000100493045 569762215 /nfs/dbraw/zinc/76/22/15/569762215.db2.gz XXVKMQPQNAZQFD-NRFANRHFSA-N 1 1 489.570 4.651 40 0 JJABMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000038836159 569808704 /nfs/dbraw/zinc/80/87/04/569808704.db2.gz YMUPRCINDYECEU-LJQANCHMSA-N 1 1 462.421 4.563 40 0 JJABMO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851338 569808828 /nfs/dbraw/zinc/80/88/28/569808828.db2.gz FHGBODVDOKNTQV-QGZVFWFLSA-N 1 1 450.385 4.693 40 0 JJABMO O=C(Nc1ccc(I)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039757222 569811456 /nfs/dbraw/zinc/81/14/56/569811456.db2.gz SPIHJAWYHFHYJR-UHFFFAOYSA-N 1 1 472.729 4.934 40 0 JJABMO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000224608235 569950540 /nfs/dbraw/zinc/95/05/40/569950540.db2.gz IOBSDNYJNNVYHH-UHFFFAOYSA-N 1 1 484.021 4.667 40 0 JJABMO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589817 570008036 /nfs/dbraw/zinc/00/80/36/570008036.db2.gz BKIDINFKWBPHRJ-UHFFFAOYSA-N 1 1 463.340 4.711 40 0 JJABMO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000225705138 570016081 /nfs/dbraw/zinc/01/60/81/570016081.db2.gz PTYYLBFMYOPNCV-UHFFFAOYSA-N 1 1 457.397 4.818 40 0 JJABMO COc1cccc(-c2noc(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000225824641 570023632 /nfs/dbraw/zinc/02/36/32/570023632.db2.gz SDAQXCZPVSDDFH-UHFFFAOYSA-N 1 1 482.584 4.612 40 0 JJABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCCCc3ccccn3)n2)o1 ZINC000247942360 570071379 /nfs/dbraw/zinc/07/13/79/570071379.db2.gz VGIJWLHFZNLOAY-RPWUZVMVSA-N 1 1 469.589 4.907 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2cccc(C)c2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408989787 570093664 /nfs/dbraw/zinc/09/36/64/570093664.db2.gz MCCJACIISQXAJC-HSZRJFAPSA-N 1 1 467.591 4.603 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000253500613 570102361 /nfs/dbraw/zinc/10/23/61/570102361.db2.gz YKUFYAJXDLKIAY-ISKFKSNPSA-N 1 1 464.614 4.556 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3F)C2)c1 ZINC000257215976 570112874 /nfs/dbraw/zinc/11/28/74/570112874.db2.gz CSMUAAFHVLZOEG-JOCHJYFZSA-N 1 1 471.536 4.981 40 0 JJABMO COCCNc1nc(C2CC[NH+](CC(=O)Nc3cccc(F)c3C)CC2)cc2ccccc21 ZINC000257225579 570115663 /nfs/dbraw/zinc/11/56/63/570115663.db2.gz FGVPYHHIMHFDEN-UHFFFAOYSA-N 1 1 450.558 4.559 40 0 JJABMO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccc(F)cc1 ZINC000257225939 570115906 /nfs/dbraw/zinc/11/59/06/570115906.db2.gz FIMOPKYEFGCJIG-FQEVSTJZSA-N 1 1 455.961 4.896 40 0 JJABMO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccc(F)cc1 ZINC000257225939 570115907 /nfs/dbraw/zinc/11/59/07/570115907.db2.gz FIMOPKYEFGCJIG-FQEVSTJZSA-N 1 1 455.961 4.896 40 0 JJABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000257231397 570117384 /nfs/dbraw/zinc/11/73/84/570117384.db2.gz GGNIZXAJVVGKOK-HEWUYBSCSA-N 1 1 497.639 4.775 40 0 JJABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000257231397 570117385 /nfs/dbraw/zinc/11/73/85/570117385.db2.gz GGNIZXAJVVGKOK-HEWUYBSCSA-N 1 1 497.639 4.775 40 0 JJABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+]2Cc2ccccc2-c2ccccc2F)c1 ZINC000257231278 570117415 /nfs/dbraw/zinc/11/74/15/570117415.db2.gz GGABEGNDINPIFO-VWLOTQADSA-N 1 1 467.548 4.968 40 0 JJABMO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCC[N@H+]3CCCC[C@H]3C)CCCO2)cc1 ZINC000257233681 570118098 /nfs/dbraw/zinc/11/80/98/570118098.db2.gz GQFDKSINCHNWFK-NFQMXDRXSA-N 1 1 454.586 4.584 40 0 JJABMO COc1ccccc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)[nH]n1 ZINC000257237364 570119320 /nfs/dbraw/zinc/11/93/20/570119320.db2.gz HGCWKCPDCQPIIS-SIOLHWFBSA-N 1 1 470.617 4.784 40 0 JJABMO COc1ccccc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n[nH]1 ZINC000257237364 570119323 /nfs/dbraw/zinc/11/93/23/570119323.db2.gz HGCWKCPDCQPIIS-SIOLHWFBSA-N 1 1 470.617 4.784 40 0 JJABMO CCOc1ccccc1-c1cc(C(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n[nH]1 ZINC000257239991 570120203 /nfs/dbraw/zinc/12/02/03/570120203.db2.gz HRQNKAUCVUUIGB-KGLNYVEHSA-N 1 1 470.617 4.832 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC2(C[C@@H](Oc3ccc(Cl)cc3)CO2)CC1 ZINC000257241897 570120624 /nfs/dbraw/zinc/12/06/24/570120624.db2.gz IADKPZHTDYMRGA-HSZRJFAPSA-N 1 1 465.981 4.736 40 0 JJABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCCN3CCCC3=O)cc2)CC1 ZINC000257271877 570130160 /nfs/dbraw/zinc/13/01/60/570130160.db2.gz NADWDQLRVJDBOC-MUUNZHRXSA-N 1 1 484.612 4.667 40 0 JJABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)c4cccs4)C[C@@H]32)cc1OC ZINC000257283959 570133826 /nfs/dbraw/zinc/13/38/26/570133826.db2.gz PAQITLQPYYBNIW-DNVJHFABSA-N 1 1 462.615 4.896 40 0 JJABMO C[N@H+]1CCC[C@](CCCc2cnccn2)(C(=O)N2CCC(Cc3ccc4ncccc4c3)CC2)C1 ZINC000257290594 570135725 /nfs/dbraw/zinc/13/57/25/570135725.db2.gz QDNLHAYMXLRRIK-LJAQVGFWSA-N 1 1 471.649 4.541 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000257299813 570138341 /nfs/dbraw/zinc/13/83/41/570138341.db2.gz RRRIOJWLAVYFLH-NRFANRHFSA-N 1 1 471.536 4.981 40 0 JJABMO Cc1cc(O[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]([N@@H+]3CCc4ccccc4C3)[C@@H]2O)cc(C(C)C)c1 ZINC000257300123 570138423 /nfs/dbraw/zinc/13/84/23/570138423.db2.gz RSZBTGQNAZGEDV-GWMMUDDPSA-N 1 1 480.649 4.951 40 0 JJABMO Cc1cc(O[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]([N@H+]3CCc4ccccc4C3)[C@@H]2O)cc(C(C)C)c1 ZINC000257300123 570138424 /nfs/dbraw/zinc/13/84/24/570138424.db2.gz RSZBTGQNAZGEDV-GWMMUDDPSA-N 1 1 480.649 4.951 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000257326331 570146350 /nfs/dbraw/zinc/14/63/50/570146350.db2.gz WWVGLJVRXDONOX-JWQCQUIFSA-N 1 1 450.966 4.724 40 0 JJABMO CC(C)(C)OC(=O)N[C@H]1C[C@H](Oc2cccc(C(F)(F)F)c2)[C@@H](O)[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257327247 570146689 /nfs/dbraw/zinc/14/66/89/570146689.db2.gz XAQGBPVQZFKCGE-MYDTUXCISA-N 1 1 492.538 4.538 40 0 JJABMO CC(C)(C)OC(=O)N[C@H]1C[C@H](Oc2cccc(C(F)(F)F)c2)[C@@H](O)[C@@H]1[N@H+]1CCc2ccccc2C1 ZINC000257327247 570146690 /nfs/dbraw/zinc/14/66/90/570146690.db2.gz XAQGBPVQZFKCGE-MYDTUXCISA-N 1 1 492.538 4.538 40 0 JJABMO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C1 ZINC000257331194 570147944 /nfs/dbraw/zinc/14/79/44/570147944.db2.gz XRTRKNZYYOIWBM-UHFFFAOYSA-N 1 1 485.694 4.578 40 0 JJABMO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCC[N@@H+](C)C3CCCCC3)CCCO2)c1 ZINC000257337956 570149895 /nfs/dbraw/zinc/14/98/95/570149895.db2.gz YVFOSOHLOPNVAI-NDEPHWFRSA-N 1 1 450.623 4.835 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001327074 194087389 /nfs/dbraw/zinc/08/73/89/194087389.db2.gz SLQSRXPDPPZHDJ-JOCHJYFZSA-N 1 1 450.558 4.802 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001371592 194105935 /nfs/dbraw/zinc/10/59/35/194105935.db2.gz YRFYGFWBAHDLKJ-HSZRJFAPSA-N 1 1 450.558 4.802 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000001374656 194108923 /nfs/dbraw/zinc/10/89/23/194108923.db2.gz XEYKFBUZUQCXJY-HSZRJFAPSA-N 1 1 450.587 4.534 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000001374656 194108924 /nfs/dbraw/zinc/10/89/24/194108924.db2.gz XEYKFBUZUQCXJY-HSZRJFAPSA-N 1 1 450.587 4.534 40 0 JJABMO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380609 194113076 /nfs/dbraw/zinc/11/30/76/194113076.db2.gz MCSWRHHZLDUBCZ-UHFFFAOYSA-N 1 1 451.880 4.688 40 0 JJABMO COc1cc2c(cc1O)[C@]1(C)C[C@H](C[C@]3(C)CCCC[N@H+]31)OC(=O)CCc1ccc(O)c-2c1 ZINC000003847184 194364263 /nfs/dbraw/zinc/36/42/63/194364263.db2.gz QRJPDCZEJMMWQW-OALGXETFSA-N 1 1 451.563 4.885 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000012707791 195093306 /nfs/dbraw/zinc/09/33/06/195093306.db2.gz DXRCUACZBIIDRR-NRFANRHFSA-N 1 1 468.985 4.709 40 0 JJABMO CCCCCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@]1(C)Oc4c5c(ccc4O)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316351 130059205 /nfs/dbraw/zinc/05/92/05/130059205.db2.gz UXAZUQJUCGSBCW-JOWWBILBSA-N 1 1 467.650 4.724 40 0 biogenic,in-vitro JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000016681556 521698859 /nfs/dbraw/zinc/69/88/59/521698859.db2.gz ZIVCYFOSIDYBRY-UHFFFAOYSA-N 1 1 471.841 4.916 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)cc2Cl)CC1 ZINC000016681559 521699448 /nfs/dbraw/zinc/69/94/48/521699448.db2.gz ADGPPFVINBNGQV-UHFFFAOYSA-N 1 1 483.037 4.771 40 0 JJABMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000020390890 522931098 /nfs/dbraw/zinc/93/10/98/522931098.db2.gz LCAMLBZQFNLJDC-XDAJTCOGSA-N 1 1 460.574 4.861 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000020390890 522931106 /nfs/dbraw/zinc/93/11/06/522931106.db2.gz LCAMLBZQFNLJDC-XDAJTCOGSA-N 1 1 460.574 4.861 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000012419046 522935887 /nfs/dbraw/zinc/93/58/87/522935887.db2.gz LCAMLBZQFNLJDC-ZGOJTZKKSA-N 1 1 460.574 4.861 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000012419046 522935897 /nfs/dbraw/zinc/93/58/97/522935897.db2.gz LCAMLBZQFNLJDC-ZGOJTZKKSA-N 1 1 460.574 4.861 40 0 biogenic,in-vitro JJABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(NC(=O)c4ccc(OC)cc4)nc3)no2)cc1 ZINC000049155175 524030153 /nfs/dbraw/zinc/03/01/53/524030153.db2.gz IKODMQYFPAJBHF-QHCPKHFHSA-N 1 1 485.544 4.738 40 0 biogenic,in-vitro JJABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(NC(=O)c4ccc(OC)cc4)nc3)no2)cc1 ZINC000049155175 524030155 /nfs/dbraw/zinc/03/01/55/524030155.db2.gz IKODMQYFPAJBHF-QHCPKHFHSA-N 1 1 485.544 4.738 40 0 biogenic,in-vitro JJABMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000026770873 525211207 /nfs/dbraw/zinc/21/12/07/525211207.db2.gz IRGQTWWLZIQQSR-VWLOTQADSA-N 1 1 479.646 4.971 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000926640 553863083 /nfs/dbraw/zinc/86/30/83/553863083.db2.gz UQSLZNICBPTVOS-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000926640 553863085 /nfs/dbraw/zinc/86/30/85/553863085.db2.gz UQSLZNICBPTVOS-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)c(=O)[nH]c2c1C ZINC000006442585 554536745 /nfs/dbraw/zinc/53/67/45/554536745.db2.gz SFCXZOVEDHELAD-RUZDIDTESA-N 1 1 456.594 4.534 40 0 JJABMO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)c(=O)[nH]c2c1C ZINC000006442585 554536748 /nfs/dbraw/zinc/53/67/48/554536748.db2.gz SFCXZOVEDHELAD-RUZDIDTESA-N 1 1 456.594 4.534 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000008767221 554667698 /nfs/dbraw/zinc/66/76/98/554667698.db2.gz MOMNTZHQIYJMSS-UWHLTILDSA-N 1 1 468.475 4.836 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000008767221 554667701 /nfs/dbraw/zinc/66/77/01/554667701.db2.gz MOMNTZHQIYJMSS-UWHLTILDSA-N 1 1 468.475 4.836 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000008970103 554843558 /nfs/dbraw/zinc/84/35/58/554843558.db2.gz KXPQUHHNPNEABT-ZYQDXHPFSA-N 1 1 450.538 4.970 40 0 JJABMO COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000013496045 555410873 /nfs/dbraw/zinc/41/08/73/555410873.db2.gz YXRQVJPCKRPJEE-UHFFFAOYSA-N 1 1 453.583 4.678 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)cc2c1 ZINC000013498478 555421043 /nfs/dbraw/zinc/42/10/43/555421043.db2.gz STQQALNZTGQXJN-VWLOTQADSA-N 1 1 474.609 4.860 40 0 JJABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499327 555430433 /nfs/dbraw/zinc/43/04/33/555430433.db2.gz ILKXFFDDIQXEOY-XMMPIXPASA-N 1 1 460.582 4.750 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500086 555436321 /nfs/dbraw/zinc/43/63/21/555436321.db2.gz LVAFIIPZXZDWJY-DQEYMECFSA-N 1 1 492.668 4.987 40 0 JJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500123 555436734 /nfs/dbraw/zinc/43/67/34/555436734.db2.gz JIYSWNSIUPXFNL-BJKOFHAPSA-N 1 1 478.641 4.678 40 0 JJABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500193 555437675 /nfs/dbraw/zinc/43/76/75/555437675.db2.gz PEMVRRGHPREMMR-OAQYLSRUSA-N 1 1 480.613 4.674 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501105 555447309 /nfs/dbraw/zinc/44/73/09/555447309.db2.gz RRTRYDGLDLUVMG-DEOSSOPVSA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501105 555447310 /nfs/dbraw/zinc/44/73/10/555447310.db2.gz RRTRYDGLDLUVMG-DEOSSOPVSA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501142 555447808 /nfs/dbraw/zinc/44/78/08/555447808.db2.gz BJBYZCNDSSLEDI-RUZDIDTESA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501142 555447809 /nfs/dbraw/zinc/44/78/09/555447809.db2.gz BJBYZCNDSSLEDI-RUZDIDTESA-N 1 1 456.594 4.767 40 0 JJABMO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1 ZINC000013564979 555500682 /nfs/dbraw/zinc/50/06/82/555500682.db2.gz HWJKJFIVBQCCLW-UHFFFAOYSA-N 1 1 478.593 4.967 40 0 JJABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C ZINC000020109174 555644639 /nfs/dbraw/zinc/64/46/39/555644639.db2.gz KTSKCEUXHKSQSD-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000014271788 555767602 /nfs/dbraw/zinc/76/76/02/555767602.db2.gz UCGDLKPZGQNECG-UHFFFAOYSA-N 1 1 462.594 4.583 40 0 JJABMO CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c1 ZINC000014277125 555785140 /nfs/dbraw/zinc/78/51/40/555785140.db2.gz HPYSTSSPTHWRJM-UHFFFAOYSA-N 1 1 492.620 4.673 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)cc2Cl)CC1 ZINC000014277272 555785723 /nfs/dbraw/zinc/78/57/23/555785723.db2.gz BBKKYNKDYVHOJC-UHFFFAOYSA-N 1 1 475.058 4.644 40 0 JJABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000015080842 555872669 /nfs/dbraw/zinc/87/26/69/555872669.db2.gz YHJASAOVNLGHPM-VWLOTQADSA-N 1 1 480.580 4.759 40 0 JJABMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2Cl)N2CC[NH+](CCO)CC2)c1C ZINC000023292210 556038376 /nfs/dbraw/zinc/03/83/76/556038376.db2.gz BRRMJPYTWNACOH-DEOSSOPVSA-N 1 1 484.065 4.970 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063888 556261083 /nfs/dbraw/zinc/26/10/83/556261083.db2.gz AEMBHBCPNIXYRT-AREMUKBSSA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063888 556261085 /nfs/dbraw/zinc/26/10/85/556261085.db2.gz AEMBHBCPNIXYRT-AREMUKBSSA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064073 556261555 /nfs/dbraw/zinc/26/15/55/556261555.db2.gz VFEAVQPFTJIGQK-DEOSSOPVSA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064073 556261557 /nfs/dbraw/zinc/26/15/57/556261557.db2.gz VFEAVQPFTJIGQK-DEOSSOPVSA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064254 556261860 /nfs/dbraw/zinc/26/18/60/556261860.db2.gz WXBSXDNNHKAUPY-DEOSSOPVSA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937052 569638496 /nfs/dbraw/zinc/63/84/96/569638496.db2.gz BPNRXOXVHNOBGE-RDGATRHJSA-N 1 1 478.641 4.596 40 0 JJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000033937381 569639099 /nfs/dbraw/zinc/63/90/99/569639099.db2.gz NZJUJTGIPKBIGP-DNQXCXABSA-N 1 1 478.641 4.596 40 0 JJABMO COC(=O)c1cc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)ccc1Cl ZINC000034262438 569639968 /nfs/dbraw/zinc/63/99/68/569639968.db2.gz NCCRPPKOEOFVOW-LFWOZUSOSA-N 1 1 460.043 4.718 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)N(C(=O)C[NH+](C)C)c3ccccc3CC4)cc2c1 ZINC000072336290 569703324 /nfs/dbraw/zinc/70/33/24/569703324.db2.gz XSIVBUOGKKMTGQ-UHFFFAOYSA-N 1 1 496.611 4.864 40 0 JJABMO O=S(=O)(Cc1ccccc1)N1CC[C@@]2(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC000096071131 569732588 /nfs/dbraw/zinc/73/25/88/569732588.db2.gz SZIWUJYUCMJLPF-MUUNZHRXSA-N 1 1 460.643 4.746 40 0 JJABMO CCc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000100191365 569755078 /nfs/dbraw/zinc/75/50/78/569755078.db2.gz BPNZFJILJHYTMU-HHHXNRCGSA-N 1 1 468.597 4.529 40 0 JJABMO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)s2)cc1 ZINC000224745098 569955696 /nfs/dbraw/zinc/95/56/96/569955696.db2.gz JBFSXNIZDMDYED-UHFFFAOYSA-N 1 1 460.962 4.857 40 0 JJABMO S=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccc(Oc2ccccc2)nn1 ZINC000225221523 569983409 /nfs/dbraw/zinc/98/34/09/569983409.db2.gz UYGHALPOPLCGPY-UHFFFAOYSA-N 1 1 450.955 4.869 40 0 JJABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3)CCCCC2)cc1 ZINC000225559334 570005665 /nfs/dbraw/zinc/00/56/65/570005665.db2.gz HAKPRUVSRDHING-UHFFFAOYSA-N 1 1 452.595 4.637 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000225634831 570011229 /nfs/dbraw/zinc/01/12/29/570011229.db2.gz JZNISJCSLUSLAO-KQWNVCNZSA-N 1 1 456.571 4.638 40 0 JJABMO COc1ccc(-c2nnsc2C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000225887901 570026369 /nfs/dbraw/zinc/02/63/69/570026369.db2.gz PSPCAMVCBGXKIF-UHFFFAOYSA-N 1 1 453.955 4.647 40 0 JJABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225907027 570026984 /nfs/dbraw/zinc/02/69/84/570026984.db2.gz FFXCHIHBJZLTDQ-GOSISDBHSA-N 1 1 490.460 4.899 40 0 JJABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225907027 570026986 /nfs/dbraw/zinc/02/69/86/570026986.db2.gz FFXCHIHBJZLTDQ-GOSISDBHSA-N 1 1 490.460 4.899 40 0 JJABMO O=C(c1cc2cc(Cl)ccc2oc1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000226041869 570033756 /nfs/dbraw/zinc/03/37/56/570033756.db2.gz VARYVBBFJUDKAR-UHFFFAOYSA-N 1 1 458.945 4.994 40 0 JJABMO CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000226069930 570035558 /nfs/dbraw/zinc/03/55/58/570035558.db2.gz RSFFWTLGRMOWDD-MHZLTWQESA-N 1 1 482.709 4.975 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000257218236 570113624 /nfs/dbraw/zinc/11/36/24/570113624.db2.gz DCIZMTHPJCJNMT-QFIPXVFZSA-N 1 1 453.546 4.842 40 0 JJABMO Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000257226045 570116006 /nfs/dbraw/zinc/11/60/06/570116006.db2.gz FIXGERZGUYYKJN-LJQANCHMSA-N 1 1 488.510 4.732 40 0 JJABMO COc1ccccc1OCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)C[N@H+]2Cc1ccccc1 ZINC000257226595 570116178 /nfs/dbraw/zinc/11/61/78/570116178.db2.gz FLHJQDJJWPCJBF-LSQMVHIFSA-N 1 1 492.566 4.869 40 0 JJABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2cccc(OCCCn3ccnc3)c2)CC1 ZINC000257236263 570119011 /nfs/dbraw/zinc/11/90/11/570119011.db2.gz HBJQLGFIUMEFFO-MHZLTWQESA-N 1 1 467.585 4.941 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(Br)c2)C1 ZINC000257253310 570124242 /nfs/dbraw/zinc/12/42/42/570124242.db2.gz JYJSJZQRQLUZRL-JWQCQUIFSA-N 1 1 495.417 4.833 40 0 JJABMO Cc1ccc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)c4cccc(Cl)c4)C(C)(C)C3)CC2)cc1 ZINC000257266400 570128411 /nfs/dbraw/zinc/12/84/11/570128411.db2.gz MCWJTJLMKPJJAK-UHFFFAOYSA-N 1 1 490.069 4.542 40 0 JJABMO CCNc1nc(C)c(C(=O)N2[C@@H]3CCCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)s1 ZINC000257279526 570132590 /nfs/dbraw/zinc/13/25/90/570132590.db2.gz OHAFBZLUUWXYRU-NNIVGBBESA-N 1 1 452.668 4.972 40 0 JJABMO Cc1ccsc1C[N@@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257303214 570139368 /nfs/dbraw/zinc/13/93/68/570139368.db2.gz SGFSPUCNTCNOBZ-XMMPIXPASA-N 1 1 463.043 4.763 40 0 JJABMO Cc1ccsc1C[N@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257303214 570139369 /nfs/dbraw/zinc/13/93/69/570139369.db2.gz SGFSPUCNTCNOBZ-XMMPIXPASA-N 1 1 463.043 4.763 40 0 JJABMO CCOc1ccc(-c2cc(C(=O)N3[C@@H]4CCC[C@@H]5[NH2+][C@@H](C[C@@]54C)[C@@H]3Cc3ccccc3)n[nH]2)cc1 ZINC000257325000 570145909 /nfs/dbraw/zinc/14/59/09/570145909.db2.gz WRAOIJITQJFNNZ-AFBVCZJXSA-N 1 1 470.617 4.832 40 0 JJABMO CC(=O)N1CC[N@H+](CC(=O)N(c2ccccc2)c2ccccc2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257329963 570147508 /nfs/dbraw/zinc/14/75/08/570147508.db2.gz XMFGKKFTGKFXDB-VWLOTQADSA-N 1 1 492.623 4.923 40 0 JJABMO CC(=O)N1CC[N@@H+](CC(=O)N(c2ccccc2)c2ccccc2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257329963 570147510 /nfs/dbraw/zinc/14/75/10/570147510.db2.gz XMFGKKFTGKFXDB-VWLOTQADSA-N 1 1 492.623 4.923 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000257337708 570149759 /nfs/dbraw/zinc/14/97/59/570149759.db2.gz YUBQRFNPZUZIOX-FTJBHMTQSA-N 1 1 474.580 4.565 40 0 JJABMO COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000257338290 570149956 /nfs/dbraw/zinc/14/99/56/570149956.db2.gz YWTHUAMWSDNTBF-HSZRJFAPSA-N 1 1 451.542 4.599 40 0 JJABMO COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000257338290 570149957 /nfs/dbraw/zinc/14/99/57/570149957.db2.gz YWTHUAMWSDNTBF-HSZRJFAPSA-N 1 1 451.542 4.599 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCO[C@H](c2cccc(Oc3ccc(C)cc3)n2)C1 ZINC000257340344 570150547 /nfs/dbraw/zinc/15/05/47/570150547.db2.gz ZFPIHVYLJJBZEU-SANMLTNESA-N 1 1 468.557 4.949 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 ZINC000257343262 570151362 /nfs/dbraw/zinc/15/13/62/570151362.db2.gz ZSEKTVNBTWMFRH-UHFFFAOYSA-N 1 1 471.536 4.981 40 0 JJABMO COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)c3cccc(Cn4cc[nH+]c4C)c3)n2)cc1 ZINC000257343264 570151378 /nfs/dbraw/zinc/15/13/78/570151378.db2.gz ZSFOPFLWCPGJDD-VWLOTQADSA-N 1 1 453.546 4.683 40 0 JJABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@H]4C)cc3)CCOCC2)cc1 ZINC000260812285 570159019 /nfs/dbraw/zinc/15/90/19/570159019.db2.gz ABYGGXYNGIWOBA-OAQYLSRUSA-N 1 1 452.595 4.635 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001325219 194086456 /nfs/dbraw/zinc/08/64/56/194086456.db2.gz AFNJBWLEGFVYDE-HSZRJFAPSA-N 1 1 492.624 4.687 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3CCc3ccccc3)C3CCCCC3)cc2c1 ZINC000001373289 194107185 /nfs/dbraw/zinc/10/71/85/194107185.db2.gz XZOPGCLITFLYLF-UHFFFAOYSA-N 1 1 470.621 4.655 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3CCc3ccccc3)C3CCCCC3)cc2c1 ZINC000001373289 194107188 /nfs/dbraw/zinc/10/71/88/194107188.db2.gz XZOPGCLITFLYLF-UHFFFAOYSA-N 1 1 470.621 4.655 40 0 JJABMO CCOC(=O)C1=NN(c2ccc(C)cc2)[C@]2(c3ccccc3)C=C(c3ccccc3)[N@H+](C)CCN12 ZINC000001648901 194130566 /nfs/dbraw/zinc/13/05/66/194130566.db2.gz RMCQZPKWOCRAEJ-LJAQVGFWSA-N 1 1 466.585 4.833 40 0 JJABMO CCOC(=O)C1=NN(c2ccc(C)cc2)[C@]2(c3ccccc3)C=C(c3ccccc3)[N@@H+](C)CCN12 ZINC000001648901 194130569 /nfs/dbraw/zinc/13/05/69/194130569.db2.gz RMCQZPKWOCRAEJ-LJAQVGFWSA-N 1 1 466.585 4.833 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000012709779 195094452 /nfs/dbraw/zinc/09/44/52/195094452.db2.gz XBULZXLNTMMXMW-IBGZPJMESA-N 1 1 499.011 4.717 40 0 JJABMO Cc1ccc2cc(CNc3ccc4c(c3)N(C(=O)C[NH+](C)C)c3ccccc3CC4)c(=O)[nH]c2c1 ZINC000057709874 195357735 /nfs/dbraw/zinc/35/77/35/195357735.db2.gz QDVFDOZXZKKNPG-UHFFFAOYSA-N 1 1 466.585 4.774 40 0 JJABMO CCc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000014944085 523962701 /nfs/dbraw/zinc/96/27/01/523962701.db2.gz BPNZFJILJHYTMU-MHZLTWQESA-N 1 1 468.597 4.529 40 0 JJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)C1 ZINC000020489142 524092760 /nfs/dbraw/zinc/09/27/60/524092760.db2.gz JNOPFPDIJIYVRL-NRFANRHFSA-N 1 1 469.651 4.736 40 0 JJABMO COc1ccccc1NC(=O)COc1cc(Br)c(C[NH2+]Cc2ccccc2)cc1OC ZINC000016248116 524595256 /nfs/dbraw/zinc/59/52/56/524595256.db2.gz AMPBIZFVHKHNIH-UHFFFAOYSA-N 1 1 485.378 4.774 40 0 JJABMO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC000044948980 525604236 /nfs/dbraw/zinc/60/42/36/525604236.db2.gz GPDCZHHVRBDUSP-KDURUIRLSA-N 1 1 478.058 4.547 40 0 JJABMO Cc1cc2c(cc1C[N@H+]1CCCC[C@@H]1C[C@H](NC(=O)CC(C)(C)C)c1ccccn1)n(C)c(=O)n2C ZINC000072341334 525605745 /nfs/dbraw/zinc/60/57/45/525605745.db2.gz WCFJJQUTKUHDBS-VWNXMTODSA-N 1 1 491.680 4.619 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000022524207 527371436 /nfs/dbraw/zinc/37/14/36/527371436.db2.gz CQYSRXSRBLTMOE-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1OC ZINC000000843563 553794193 /nfs/dbraw/zinc/79/41/93/553794193.db2.gz CRPWIJSUYRXLER-UIOOFZCWSA-N 1 1 452.514 4.816 40 0 JJABMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000843562 553794281 /nfs/dbraw/zinc/79/42/81/553794281.db2.gz SOYIIHBEFSVGGN-JWQCQUIFSA-N 1 1 456.477 4.647 40 0 JJABMO CCc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000923042 553857404 /nfs/dbraw/zinc/85/74/04/553857404.db2.gz GKFNPRHFZFDQSZ-UHFFFAOYSA-N 1 1 492.689 4.629 40 0 JJABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C ZINC000000925615 553861774 /nfs/dbraw/zinc/86/17/74/553861774.db2.gz KKAMGOFPDYOQCE-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(OC)cc1 ZINC000008829222 554719642 /nfs/dbraw/zinc/71/96/42/554719642.db2.gz HAMZZMBVWRGPBJ-JOCHJYFZSA-N 1 1 464.635 4.528 40 0 JJABMO COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000008832650 554727690 /nfs/dbraw/zinc/72/76/90/554727690.db2.gz LSGVTIMXYGNLSS-FPYGCLRLSA-N 1 1 464.791 4.515 40 0 JJABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000009191864 554964251 /nfs/dbraw/zinc/96/42/51/554964251.db2.gz OTSSZYWKUPHQGU-ICTDUYRTSA-N 1 1 452.595 4.627 40 0 JJABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000009191864 554964253 /nfs/dbraw/zinc/96/42/53/554964253.db2.gz OTSSZYWKUPHQGU-ICTDUYRTSA-N 1 1 452.595 4.627 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494535 555405067 /nfs/dbraw/zinc/40/50/67/555405067.db2.gz YPOSBVGTFOCJRX-QHCPKHFHSA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494535 555405069 /nfs/dbraw/zinc/40/50/69/555405069.db2.gz YPOSBVGTFOCJRX-QHCPKHFHSA-N 1 1 458.610 4.774 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000013494594 555405423 /nfs/dbraw/zinc/40/54/23/555405423.db2.gz ZBOPPWUNNDLRNI-QHCPKHFHSA-N 1 1 466.630 4.954 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495898 555410029 /nfs/dbraw/zinc/41/00/29/555410029.db2.gz SVFVEFLHSATXFS-HHHXNRCGSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495898 555410031 /nfs/dbraw/zinc/41/00/31/555410031.db2.gz SVFVEFLHSATXFS-HHHXNRCGSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495883 555410084 /nfs/dbraw/zinc/41/00/84/555410084.db2.gz YQPJSRLSPYCFGV-SANMLTNESA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495883 555410088 /nfs/dbraw/zinc/41/00/88/555410088.db2.gz YQPJSRLSPYCFGV-SANMLTNESA-N 1 1 496.615 4.969 40 0 JJABMO CC(C)[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013498784 555424618 /nfs/dbraw/zinc/42/46/18/555424618.db2.gz SWLRCSMWWOOXFV-RUZDIDTESA-N 1 1 492.624 4.543 40 0 JJABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013499049 555427561 /nfs/dbraw/zinc/42/75/61/555427561.db2.gz YUGXOPUKUJDEAS-OZXSUGGESA-N 1 1 492.668 4.842 40 0 JJABMO Cc1cccc2cc(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500504 555440887 /nfs/dbraw/zinc/44/08/87/555440887.db2.gz PHBUNLYONZYUJO-HHHXNRCGSA-N 1 1 496.615 4.906 40 0 JJABMO Cc1cccc2cc(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500504 555440890 /nfs/dbraw/zinc/44/08/90/555440890.db2.gz PHBUNLYONZYUJO-HHHXNRCGSA-N 1 1 496.615 4.906 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)cc2c1 ZINC000013500670 555442609 /nfs/dbraw/zinc/44/26/09/555442609.db2.gz GKBOAKUEGFSWAV-VWLOTQADSA-N 1 1 490.608 4.697 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1 ZINC000013501256 555449057 /nfs/dbraw/zinc/44/90/57/555449057.db2.gz CDVJGBZKUAIAAZ-UHFFFAOYSA-N 1 1 492.668 4.681 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1 ZINC000013501256 555449058 /nfs/dbraw/zinc/44/90/58/555449058.db2.gz CDVJGBZKUAIAAZ-UHFFFAOYSA-N 1 1 492.668 4.681 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000020038715 555612511 /nfs/dbraw/zinc/61/25/11/555612511.db2.gz PCRLJAHEFWJQHP-GDLZYMKVSA-N 1 1 496.636 4.927 40 0 JJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020042142 555614436 /nfs/dbraw/zinc/61/44/36/555614436.db2.gz RJZTVMSJTIAUBP-FQEVSTJZSA-N 1 1 478.058 4.834 40 0 JJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2)C1 ZINC000020047700 555617931 /nfs/dbraw/zinc/61/79/31/555617931.db2.gz MARSAWMEJYEHLN-FQEVSTJZSA-N 1 1 463.603 4.972 40 0 JJABMO CC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020098294 555632856 /nfs/dbraw/zinc/63/28/56/555632856.db2.gz SXLIMEMTJFMVKW-RUZDIDTESA-N 1 1 472.662 4.986 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000020109189 555644956 /nfs/dbraw/zinc/64/49/56/555644956.db2.gz HOCVVUJMZZKBAU-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccs1 ZINC000014271782 555767630 /nfs/dbraw/zinc/76/76/30/555767630.db2.gz MJRALTJWEFGWOO-UHFFFAOYSA-N 1 1 471.051 4.851 40 0 JJABMO O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014277083 555785050 /nfs/dbraw/zinc/78/50/50/555785050.db2.gz CPEPWDPURQDPMD-VAWYXSNFSA-N 1 1 481.021 4.782 40 0 JJABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCOc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)C1 ZINC000011866408 555842137 /nfs/dbraw/zinc/84/21/37/555842137.db2.gz AWYIGLQVLDWNAP-AZUAARDMSA-N 1 1 488.971 4.773 40 0 JJABMO c1ccc2c(c1)nnn2[C@H](NC1CCCCC1)[C@@H]([NH2+]C1CCCCC1)n1nnc2ccccc21 ZINC000023469481 556073567 /nfs/dbraw/zinc/07/35/67/556073567.db2.gz BUSAACUHTXKBEK-UIOOFZCWSA-N 1 1 458.614 4.718 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064162 556261580 /nfs/dbraw/zinc/26/15/80/556261580.db2.gz NFMKIRWBFQOMBM-RUZDIDTESA-N 1 1 490.583 4.607 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064162 556261582 /nfs/dbraw/zinc/26/15/82/556261582.db2.gz NFMKIRWBFQOMBM-RUZDIDTESA-N 1 1 490.583 4.607 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064198 556261626 /nfs/dbraw/zinc/26/16/26/556261626.db2.gz SBWSFLVKBCOEGH-AREMUKBSSA-N 1 1 486.620 4.662 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064198 556261629 /nfs/dbraw/zinc/26/16/29/556261629.db2.gz SBWSFLVKBCOEGH-AREMUKBSSA-N 1 1 486.620 4.662 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000019221033 556335381 /nfs/dbraw/zinc/33/53/81/556335381.db2.gz OHJCBRYTQANPDY-MHZLTWQESA-N 1 1 496.615 4.906 40 0 aggregator JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000019221033 556335382 /nfs/dbraw/zinc/33/53/82/556335382.db2.gz OHJCBRYTQANPDY-MHZLTWQESA-N 1 1 496.615 4.906 40 0 aggregator JJABMO O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000030865592 556383092 /nfs/dbraw/zinc/38/30/92/556383092.db2.gz MISHSGLAZMXHJY-UHFFFAOYSA-N 1 1 498.608 4.693 40 0 JJABMO O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000030865592 556383097 /nfs/dbraw/zinc/38/30/97/556383097.db2.gz MISHSGLAZMXHJY-UHFFFAOYSA-N 1 1 498.608 4.693 40 0 JJABMO C[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289325 560032973 /nfs/dbraw/zinc/03/29/73/560032973.db2.gz IHSXRFBVZZCPBK-HPUNYJORSA-N 1 1 485.559 4.977 40 0 biogenic,in-vitro JJABMO C[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289325 560032974 /nfs/dbraw/zinc/03/29/74/560032974.db2.gz IHSXRFBVZZCPBK-HPUNYJORSA-N 1 1 485.559 4.977 40 0 biogenic,in-vitro JJABMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)cc1 ZINC000033784614 569634901 /nfs/dbraw/zinc/63/49/01/569634901.db2.gz PICMQNYHVUVOOS-XQNSMLJCSA-N 1 1 480.634 4.599 40 0 JJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000033937298 569638789 /nfs/dbraw/zinc/63/87/89/569638789.db2.gz JAXYRMNIPTUFFH-DNQXCXABSA-N 1 1 478.641 4.596 40 0 JJABMO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)C1 ZINC000035031527 569673927 /nfs/dbraw/zinc/67/39/27/569673927.db2.gz JPFWSRHZVJYIOU-XSBVVTFOSA-N 1 1 450.667 4.986 40 0 JJABMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000100188874 569755088 /nfs/dbraw/zinc/75/50/88/569755088.db2.gz SQCDPDDPMAMAKQ-AREMUKBSSA-N 1 1 479.621 4.863 40 0 JJABMO Cc1ccccc1C[NH+]1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccccc2C)CC4)C1 ZINC000100493048 569762246 /nfs/dbraw/zinc/76/22/46/569762246.db2.gz SVFLYGUEHUXGJZ-VWLOTQADSA-N 1 1 481.644 4.990 40 0 JJABMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)CC)CC2)cc1 ZINC000036628331 569778991 /nfs/dbraw/zinc/77/89/91/569778991.db2.gz PTSAQWUCNLKZAY-UHFFFAOYSA-N 1 1 455.562 4.545 40 0 JJABMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851330 569808907 /nfs/dbraw/zinc/80/89/07/569808907.db2.gz UAZDTWMVCDQGBU-GOSISDBHSA-N 1 1 450.385 4.693 40 0 JJABMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000102405581 569812911 /nfs/dbraw/zinc/81/29/11/569812911.db2.gz MYNYSEUTTLCYRK-DEOSSOPVSA-N 1 1 493.604 4.583 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000216420505 569878761 /nfs/dbraw/zinc/87/87/61/569878761.db2.gz QIIRPYQMGLJBGU-UHFFFAOYSA-N 1 1 450.336 4.792 40 0 JJABMO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC000224608302 569950523 /nfs/dbraw/zinc/95/05/23/569950523.db2.gz LVPCXEFULHJCBA-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000224737537 569955530 /nfs/dbraw/zinc/95/55/30/569955530.db2.gz HUPNRQDQBPGPNO-UHFFFAOYSA-N 1 1 462.615 4.620 40 0 JJABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224743321 569955663 /nfs/dbraw/zinc/95/56/63/569955663.db2.gz XZBHXJSXRFOLNK-UHFFFAOYSA-N 1 1 450.966 4.681 40 0 JJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000225156984 569978827 /nfs/dbraw/zinc/97/88/27/569978827.db2.gz BCDGNKKTGWIWJC-RUZDIDTESA-N 1 1 485.694 4.654 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C ZINC000225732097 570018517 /nfs/dbraw/zinc/01/85/17/570018517.db2.gz DPWWHSUZADUDHS-KQWNVCNZSA-N 1 1 456.571 4.638 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000225775317 570021003 /nfs/dbraw/zinc/02/10/03/570021003.db2.gz NONGOXPJQRUQEL-JLPGSUDCSA-N 1 1 456.571 4.638 40 0 JJABMO O=C(Cn1ccc(=O)c2cc(Br)ccc21)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225919639 570027592 /nfs/dbraw/zinc/02/75/92/570027592.db2.gz DYPLZMXTCXVBQU-UHFFFAOYSA-N 1 1 499.796 4.584 40 0 JJABMO COc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000408838705 570053435 /nfs/dbraw/zinc/05/34/35/570053435.db2.gz ZQDOYPMFUTVAHY-UHFFFAOYSA-N 1 1 465.981 4.932 40 0 JJABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCCc3ccncc3)n2)o1 ZINC000252515173 570082840 /nfs/dbraw/zinc/08/28/40/570082840.db2.gz HTMLXKKCONTASJ-DHIUTWEWSA-N 1 1 455.562 4.516 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408989528 570093518 /nfs/dbraw/zinc/09/35/18/570093518.db2.gz LBDHMWWPWSMKCO-DEOSSOPVSA-N 1 1 481.618 4.911 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2cccc(C)c2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408989789 570093599 /nfs/dbraw/zinc/09/35/99/570093599.db2.gz MCCJACIISQXAJC-QHCPKHFHSA-N 1 1 467.591 4.603 40 0 JJABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](CCCc3ccccc3)C2)ccc1Cl ZINC000257248131 570122627 /nfs/dbraw/zinc/12/26/27/570122627.db2.gz JCGAFCMLSRDNHN-MUUNZHRXSA-N 1 1 485.068 4.991 40 0 JJABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCCN3CCCC3=O)cc2)CC1 ZINC000257271878 570130234 /nfs/dbraw/zinc/13/02/34/570130234.db2.gz NADWDQLRVJDBOC-NDEPHWFRSA-N 1 1 484.612 4.667 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000257275771 570131366 /nfs/dbraw/zinc/13/13/66/570131366.db2.gz NQUTUVVVRDLPKN-UHFFFAOYSA-N 1 1 471.536 4.981 40 0 JJABMO CC(C)(C)C(=O)NC[C@](O)(c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278440 570132187 /nfs/dbraw/zinc/13/21/87/570132187.db2.gz OCHSIOFWBVFHAX-MHECFPHRSA-N 1 1 464.437 4.651 40 0 JJABMO CC(C)(C)C(=O)NC[C@](O)(c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278440 570132188 /nfs/dbraw/zinc/13/21/88/570132188.db2.gz OCHSIOFWBVFHAX-MHECFPHRSA-N 1 1 464.437 4.651 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000257299814 570138360 /nfs/dbraw/zinc/13/83/60/570138360.db2.gz RRRIOJWLAVYFLH-OAQYLSRUSA-N 1 1 471.536 4.981 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CC[C@@]3(C)[C@@H]2CCCCC(=O)N3Cc2ccccc2)c1 ZINC000257303629 570139475 /nfs/dbraw/zinc/13/94/75/570139475.db2.gz SHZRYMVXVVJKGA-WNJJXGMVSA-N 1 1 470.617 4.816 40 0 JJABMO CC1(C)C[C@H]2[C@H](CCC[N@H+]2CC(=O)N2CC(=O)Nc3ccccc32)N1c1cccc(C(F)(F)F)c1 ZINC000257319600 570144368 /nfs/dbraw/zinc/14/43/68/570144368.db2.gz VTFRRVSIIZYZNM-VXKWHMMOSA-N 1 1 486.538 4.512 40 0 JJABMO Cc1ccsc1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257323007 570145359 /nfs/dbraw/zinc/14/53/59/570145359.db2.gz WIJRFPTUYIFTKR-SANMLTNESA-N 1 1 490.113 4.844 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCO[C@@H](c2cccc(Oc3ccc(C)cc3)n2)C1 ZINC000257340343 570150545 /nfs/dbraw/zinc/15/05/45/570150545.db2.gz ZFPIHVYLJJBZEU-AREMUKBSSA-N 1 1 468.557 4.949 40 0 JJABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@H](C)C4)cc3)CCOCC2)cc1 ZINC000260814579 570159146 /nfs/dbraw/zinc/15/91/46/570159146.db2.gz KXKBWTKDOGYVHY-QFIPXVFZSA-N 1 1 466.622 4.883 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000001375514 194110074 /nfs/dbraw/zinc/11/00/74/194110074.db2.gz KETLSXRBTPWSBY-HSZRJFAPSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000001375514 194110076 /nfs/dbraw/zinc/11/00/76/194110076.db2.gz KETLSXRBTPWSBY-HSZRJFAPSA-N 1 1 460.582 4.669 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001371125 194105270 /nfs/dbraw/zinc/10/52/70/194105270.db2.gz LVKITAHDFQIKSC-NRFANRHFSA-N 1 1 450.558 4.802 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001371379 194105522 /nfs/dbraw/zinc/10/55/22/194105522.db2.gz XWVHFNDPWFMPFV-FQEVSTJZSA-N 1 1 450.558 4.802 40 0 JJABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001372981 194106764 /nfs/dbraw/zinc/10/67/64/194106764.db2.gz WOXCPLRLDDOJMT-UHFFFAOYSA-N 1 1 474.584 4.654 40 0 JJABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001372981 194106767 /nfs/dbraw/zinc/10/67/67/194106767.db2.gz WOXCPLRLDDOJMT-UHFFFAOYSA-N 1 1 474.584 4.654 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375170 194109446 /nfs/dbraw/zinc/10/94/46/194109446.db2.gz YKUDLPURSRJXLO-DEOSSOPVSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375170 194109448 /nfs/dbraw/zinc/10/94/48/194109448.db2.gz YKUDLPURSRJXLO-DEOSSOPVSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375380 194109750 /nfs/dbraw/zinc/10/97/50/194109750.db2.gz QZSLBAARQQTOSF-MHZLTWQESA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375380 194109752 /nfs/dbraw/zinc/10/97/52/194109752.db2.gz QZSLBAARQQTOSF-MHZLTWQESA-N 1 1 496.615 4.969 40 0 JJABMO CCc1cccc(CC)c1NC(=O)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(OC)c1)C2 ZINC000012643810 195072607 /nfs/dbraw/zinc/07/26/07/195072607.db2.gz OXJKFZSVAPINMV-CWAQXLGLSA-N 1 1 478.637 4.966 40 0 JJABMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(OC)c1)C2 ZINC000012643810 195072608 /nfs/dbraw/zinc/07/26/08/195072608.db2.gz OXJKFZSVAPINMV-CWAQXLGLSA-N 1 1 478.637 4.966 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012704534 195092154 /nfs/dbraw/zinc/09/21/54/195092154.db2.gz GSXYQQBSLRCRLE-QHCPKHFHSA-N 1 1 462.594 4.672 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012706560 195092882 /nfs/dbraw/zinc/09/28/82/195092882.db2.gz HUDOGQYSCHDRKM-JOCHJYFZSA-N 1 1 462.594 4.672 40 0 JJABMO CCCCCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@]1(C)Oc4c5c(ccc4O)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316352 130059128 /nfs/dbraw/zinc/05/91/28/130059128.db2.gz UXAZUQJUCGSBCW-VXVAYLJWSA-N 1 1 467.650 4.724 40 0 biogenic,in-vitro JJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500124 520810923 /nfs/dbraw/zinc/81/09/23/520810923.db2.gz JIYSWNSIUPXFNL-ZEQRLZLVSA-N 1 1 478.641 4.678 40 0 JJABMO CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1 ZINC000016639186 520867816 /nfs/dbraw/zinc/86/78/16/520867816.db2.gz ICYNPWGMENKBGB-UHFFFAOYSA-N 1 1 475.058 4.788 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2Cl)CC1 ZINC000016681531 521699053 /nfs/dbraw/zinc/69/90/53/521699053.db2.gz VOFBGOZYRCRIOY-UHFFFAOYSA-N 1 1 452.780 4.505 40 0 JJABMO CNc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020503118 522685942 /nfs/dbraw/zinc/68/59/42/522685942.db2.gz YMPWMJVTBZJPPQ-HSZRJFAPSA-N 1 1 493.611 4.936 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501147 523131201 /nfs/dbraw/zinc/13/12/01/523131201.db2.gz KYBSEIOYXZWBAQ-SANMLTNESA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501147 523131208 /nfs/dbraw/zinc/13/12/08/523131208.db2.gz KYBSEIOYXZWBAQ-SANMLTNESA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044880739 523170483 /nfs/dbraw/zinc/17/04/83/523170483.db2.gz TVMFMKRPUNVOHJ-HXUWFJFHSA-N 1 1 478.058 4.834 40 0 JJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2)cc1 ZINC000020458500 524691388 /nfs/dbraw/zinc/69/13/88/524691388.db2.gz FGTVLQSCPMEOAN-FQEVSTJZSA-N 1 1 493.629 4.980 40 0 JJABMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807481 526240493 /nfs/dbraw/zinc/24/04/93/526240493.db2.gz TXYVFFUIEMPVJQ-ZTUYAXTRSA-N 1 1 497.982 4.663 40 0 JJABMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807481 526240498 /nfs/dbraw/zinc/24/04/98/526240498.db2.gz TXYVFFUIEMPVJQ-ZTUYAXTRSA-N 1 1 497.982 4.663 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000020462583 527386379 /nfs/dbraw/zinc/38/63/79/527386379.db2.gz XOKPKNOGVGOKIX-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000843640 553794519 /nfs/dbraw/zinc/79/45/19/553794519.db2.gz RGDFFBKUWBZCME-IZZNHLLZSA-N 1 1 452.514 4.816 40 0 JJABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000000926612 553862999 /nfs/dbraw/zinc/86/29/99/553862999.db2.gz UURCDZGXUJGGBO-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000000926612 553863001 /nfs/dbraw/zinc/86/30/01/553863001.db2.gz UURCDZGXUJGGBO-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Br ZINC000008832644 554727400 /nfs/dbraw/zinc/72/74/00/554727400.db2.gz FVJXORQOLZJNEL-UHFFFAOYSA-N 1 1 452.780 4.505 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495849 555409917 /nfs/dbraw/zinc/40/99/17/555409917.db2.gz VQUXZRPLTOOJML-SANMLTNESA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495849 555409920 /nfs/dbraw/zinc/40/99/20/555409920.db2.gz VQUXZRPLTOOJML-SANMLTNESA-N 1 1 496.615 4.969 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)cc2c1 ZINC000013498479 555421280 /nfs/dbraw/zinc/42/12/80/555421280.db2.gz STQQALNZTGQXJN-RUZDIDTESA-N 1 1 474.609 4.860 40 0 JJABMO CC(C)[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013498785 555424873 /nfs/dbraw/zinc/42/48/73/555424873.db2.gz SWLRCSMWWOOXFV-VWLOTQADSA-N 1 1 492.624 4.543 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499304 555430325 /nfs/dbraw/zinc/43/03/25/555430325.db2.gz UUVFJJYWKDUWRE-ZCYQVOJMSA-N 1 1 478.641 4.678 40 0 JJABMO Cc1cccc2cc(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500505 555441164 /nfs/dbraw/zinc/44/11/64/555441164.db2.gz PHBUNLYONZYUJO-MHZLTWQESA-N 1 1 496.615 4.906 40 0 JJABMO Cc1cccc2cc(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500505 555441167 /nfs/dbraw/zinc/44/11/67/555441167.db2.gz PHBUNLYONZYUJO-MHZLTWQESA-N 1 1 496.615 4.906 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)cc2c1 ZINC000013500637 555442073 /nfs/dbraw/zinc/44/20/73/555442073.db2.gz DUQKXWSMFKLKIL-DEOSSOPVSA-N 1 1 460.582 4.606 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501117 555447669 /nfs/dbraw/zinc/44/76/69/555447669.db2.gz JVTKVZGJKVKDIA-VWLOTQADSA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501117 555447671 /nfs/dbraw/zinc/44/76/71/555447671.db2.gz JVTKVZGJKVKDIA-VWLOTQADSA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501145 555447797 /nfs/dbraw/zinc/44/77/97/555447797.db2.gz MJCXWTXGTFPNLF-VWLOTQADSA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501145 555447799 /nfs/dbraw/zinc/44/77/99/555447799.db2.gz MJCXWTXGTFPNLF-VWLOTQADSA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501154 555448116 /nfs/dbraw/zinc/44/81/16/555448116.db2.gz NLYGXRRALIKAQK-AREMUKBSSA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501154 555448118 /nfs/dbraw/zinc/44/81/18/555448118.db2.gz NLYGXRRALIKAQK-AREMUKBSSA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020042139 555614299 /nfs/dbraw/zinc/61/42/99/555614299.db2.gz RJZTVMSJTIAUBP-HXUWFJFHSA-N 1 1 478.058 4.834 40 0 JJABMO COc1ccc(-c2noc(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000014051498 555674616 /nfs/dbraw/zinc/67/46/16/555674616.db2.gz UQIPQMYFJRIXMP-UHFFFAOYSA-N 1 1 482.584 4.612 40 0 JJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(F)cc1 ZINC000014277093 555785082 /nfs/dbraw/zinc/78/50/82/555785082.db2.gz RAXZWXBPTKJRIZ-UHFFFAOYSA-N 1 1 483.012 4.928 40 0 JJABMO COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014277063 555785172 /nfs/dbraw/zinc/78/51/72/555785172.db2.gz FPDJCQSCGUHGOA-UHFFFAOYSA-N 1 1 495.048 4.798 40 0 JJABMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c(OC)c1 ZINC000021596080 555854308 /nfs/dbraw/zinc/85/43/08/555854308.db2.gz VDSIKALIBXWTEC-UHFFFAOYSA-N 1 1 465.981 4.932 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063889 556261091 /nfs/dbraw/zinc/26/10/91/556261091.db2.gz AEMBHBCPNIXYRT-SANMLTNESA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063889 556261095 /nfs/dbraw/zinc/26/10/95/556261095.db2.gz AEMBHBCPNIXYRT-SANMLTNESA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064863 556263331 /nfs/dbraw/zinc/26/33/31/556263331.db2.gz BPNRXOXVHNOBGE-DHLKQENFSA-N 1 1 478.641 4.596 40 0 JJABMO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000008674206 562950483 /nfs/dbraw/zinc/95/04/83/562950483.db2.gz FLHFYKNRDBZYFD-QPPBQGQZSA-N 1 1 476.625 4.550 40 0 JJABMO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000008674206 562950485 /nfs/dbraw/zinc/95/04/85/562950485.db2.gz FLHFYKNRDBZYFD-QPPBQGQZSA-N 1 1 476.625 4.550 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(OC)cc1OC ZINC000008685679 562952592 /nfs/dbraw/zinc/95/25/92/562952592.db2.gz KXNWGWWYNFNKJS-NRFANRHFSA-N 1 1 494.661 4.537 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937283 569638912 /nfs/dbraw/zinc/63/89/12/569638912.db2.gz YNCQMVVZCYBUEJ-BVAGGSTKSA-N 1 1 492.668 4.987 40 0 JJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccc(F)cc1 ZINC000035198854 569678077 /nfs/dbraw/zinc/67/80/77/569678077.db2.gz KZAMMFSIPIEJNQ-UHFFFAOYSA-N 1 1 450.579 4.907 40 0 JJABMO Cc1cc2c(cc1C[N@H+]1CCCC[C@H]1C[C@H](NC(=O)CC(C)(C)C)c1ccccn1)n(C)c(=O)n2C ZINC000072341335 569703475 /nfs/dbraw/zinc/70/34/75/569703475.db2.gz WCFJJQUTKUHDBS-UPVQGACJSA-N 1 1 491.680 4.619 40 0 JJABMO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834824 569808764 /nfs/dbraw/zinc/80/87/64/569808764.db2.gz DDSAMVHOINUAJP-OAHLLOKOSA-N 1 1 454.739 4.795 40 0 JJABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1OC ZINC000038848982 569808882 /nfs/dbraw/zinc/80/88/82/569808882.db2.gz NQYFYSUCPGZJMB-KRWDZBQOSA-N 1 1 451.394 4.582 40 0 JJABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1OC ZINC000038848982 569808883 /nfs/dbraw/zinc/80/88/83/569808883.db2.gz NQYFYSUCPGZJMB-KRWDZBQOSA-N 1 1 451.394 4.582 40 0 JJABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038864639 569809055 /nfs/dbraw/zinc/80/90/55/569809055.db2.gz VAZJEXULZFYSNG-MUUNZHRXSA-N 1 1 453.630 4.832 40 0 JJABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc2Cl)c1 ZINC000044871762 569839557 /nfs/dbraw/zinc/83/95/57/569839557.db2.gz SWBYFUCEMVDMSD-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000106021769 569853768 /nfs/dbraw/zinc/85/37/68/569853768.db2.gz GMFSZWFKYGVOPH-WWZJJOFDSA-N 1 1 486.955 4.977 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000222828145 569892070 /nfs/dbraw/zinc/89/20/70/569892070.db2.gz OTUPVKZZPDTPKH-JLPGSUDCSA-N 1 1 456.571 4.638 40 0 JJABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1Cl ZINC000224168198 569935106 /nfs/dbraw/zinc/93/51/06/569935106.db2.gz LTRDHMQFKJDHAE-UHFFFAOYSA-N 1 1 465.819 4.818 40 0 JJABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000225584789 570007688 /nfs/dbraw/zinc/00/76/88/570007688.db2.gz LMWGKNLOKPXIFJ-QPJJXVBHSA-N 1 1 456.005 4.549 40 0 JJABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225910061 570027228 /nfs/dbraw/zinc/02/72/28/570027228.db2.gz FMWYIUJSLRGDKA-QGZVFWFLSA-N 1 1 490.460 4.899 40 0 JJABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225910061 570027230 /nfs/dbraw/zinc/02/72/30/570027230.db2.gz FMWYIUJSLRGDKA-QGZVFWFLSA-N 1 1 490.460 4.899 40 0 JJABMO CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000226070594 570035635 /nfs/dbraw/zinc/03/56/35/570035635.db2.gz MKADZBWCJPOWIV-AREMUKBSSA-N 1 1 482.709 4.856 40 0 JJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCCSc3ccc(C)cc3)cc2)CC1 ZINC000408869150 570059027 /nfs/dbraw/zinc/05/90/27/570059027.db2.gz RURHLAQJKVOSQN-UHFFFAOYSA-N 1 1 475.658 4.848 40 0 JJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCCSCc3cccc(C)c3)cc2)CC1 ZINC000408927090 570078752 /nfs/dbraw/zinc/07/87/52/570078752.db2.gz SNNLKFBYNXPORR-UHFFFAOYSA-N 1 1 489.685 4.989 40 0 JJABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCCc3ccncc3)n2)o1 ZINC000252515174 570082816 /nfs/dbraw/zinc/08/28/16/570082816.db2.gz HTMLXKKCONTASJ-PKTZIBPZSA-N 1 1 455.562 4.516 40 0 JJABMO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257201026 570108033 /nfs/dbraw/zinc/10/80/33/570108033.db2.gz AFVWLGQUROVZPA-FQEVSTJZSA-N 1 1 455.961 4.896 40 0 JJABMO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257201026 570108035 /nfs/dbraw/zinc/10/80/35/570108035.db2.gz AFVWLGQUROVZPA-FQEVSTJZSA-N 1 1 455.961 4.896 40 0 JJABMO CC(C)[C@@H]1C[C@@]2(CCC[N@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)CO[C@H]1c1cccc(F)c1 ZINC000257209862 570110936 /nfs/dbraw/zinc/11/09/36/570110936.db2.gz BSFADRKBPIEOIB-LNBJVWSJSA-N 1 1 451.586 4.785 40 0 JJABMO CCc1c(C[N@@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000257212358 570111675 /nfs/dbraw/zinc/11/16/75/570111675.db2.gz CDAPESCYEIRZDY-QFIPXVFZSA-N 1 1 462.619 4.626 40 0 JJABMO CCc1c(C[N@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000257212358 570111678 /nfs/dbraw/zinc/11/16/78/570111678.db2.gz CDAPESCYEIRZDY-QFIPXVFZSA-N 1 1 462.619 4.626 40 0 JJABMO CCc1c(C[N@@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000257212357 570111790 /nfs/dbraw/zinc/11/17/90/570111790.db2.gz CDAPESCYEIRZDY-JOCHJYFZSA-N 1 1 462.619 4.626 40 0 JJABMO CCc1c(C[N@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc2n1C ZINC000257212357 570111791 /nfs/dbraw/zinc/11/17/91/570111791.db2.gz CDAPESCYEIRZDY-JOCHJYFZSA-N 1 1 462.619 4.626 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H]2c2cncc(Cc3cccc(C)c3)n2)c1 ZINC000257226416 570116046 /nfs/dbraw/zinc/11/60/46/570116046.db2.gz FKNZWJXLLVTBRW-MHZLTWQESA-N 1 1 451.574 4.906 40 0 JJABMO COc1ccc(NC(C)=O)c(NC(=O)CN2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)c1 ZINC000257238448 570119763 /nfs/dbraw/zinc/11/97/63/570119763.db2.gz HLACMFFBVDPLBA-NSVAZKTRSA-N 1 1 478.637 4.672 40 0 JJABMO COc1cccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[NH2+][C@@H]4Cc3ccccc3)n[nH]2)c1 ZINC000257245930 570121880 /nfs/dbraw/zinc/12/18/80/570121880.db2.gz IRSORLGIKUUKOJ-PPADKEBPSA-N 1 1 470.617 4.832 40 0 JJABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(-c2cncnc2)n1 ZINC000257259683 570126320 /nfs/dbraw/zinc/12/63/20/570126320.db2.gz KZMUZNWBSLGKKQ-NWFYCVFPSA-N 1 1 467.617 4.627 40 0 JJABMO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1Oc1ccc(F)cc1 ZINC000257260377 570126472 /nfs/dbraw/zinc/12/64/72/570126472.db2.gz LCPDVVOFRUQCJJ-AHKZPQOWSA-N 1 1 450.554 4.848 40 0 JJABMO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1Oc1ccc(F)cc1 ZINC000257260377 570126473 /nfs/dbraw/zinc/12/64/73/570126473.db2.gz LCPDVVOFRUQCJJ-AHKZPQOWSA-N 1 1 450.554 4.848 40 0 JJABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000257260589 570126555 /nfs/dbraw/zinc/12/65/55/570126555.db2.gz LDMVSTLIBHFANZ-LGKPFJOYSA-N 1 1 461.002 4.636 40 0 JJABMO COc1ccc(C)c(NC(=O)C[NH+]2CCC3(CC2)CO[C@@H]2c4cccc(O)c4OC(C)(C)[C@H]2C3)c1 ZINC000257265424 570128072 /nfs/dbraw/zinc/12/80/72/570128072.db2.gz LYPFLXITTLADOM-SQJMNOBHSA-N 1 1 480.605 4.679 40 0 JJABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257295593 570137017 /nfs/dbraw/zinc/13/70/17/570137017.db2.gz QZBBYCRNKKHLQX-WXVAWEFUSA-N 1 1 463.528 4.577 40 0 JJABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](CC(=O)Nc3ccc(Oc4cccnc4)cc3)[C@H]1CCCC(=O)N2 ZINC000257304281 570139588 /nfs/dbraw/zinc/13/95/88/570139588.db2.gz SKWJJJWDYNSUDT-IXLXJOPFSA-N 1 1 484.600 4.557 40 0 JJABMO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc3c2CCCC3)C[C@@H]1Oc1ccccc1 ZINC000257323644 570145562 /nfs/dbraw/zinc/14/55/62/570145562.db2.gz WLFYJMHOMYOQKH-XCZPVHLTSA-N 1 1 450.623 4.969 40 0 JJABMO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc3c2CCCC3)C[C@@H]1Oc1ccccc1 ZINC000257323644 570145563 /nfs/dbraw/zinc/14/55/63/570145563.db2.gz WLFYJMHOMYOQKH-XCZPVHLTSA-N 1 1 450.623 4.969 40 0 JJABMO COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)C[N@H+](C)Cc3ccc(F)cc3)o2)c1 ZINC000257327950 570146943 /nfs/dbraw/zinc/14/69/43/570146943.db2.gz XDMSBGZJRLSVGI-DEOSSOPVSA-N 1 1 451.542 4.599 40 0 JJABMO COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)C[N@@H+](C)Cc3ccc(F)cc3)o2)c1 ZINC000257327950 570146944 /nfs/dbraw/zinc/14/69/44/570146944.db2.gz XDMSBGZJRLSVGI-DEOSSOPVSA-N 1 1 451.542 4.599 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000257330588 570147628 /nfs/dbraw/zinc/14/76/28/570147628.db2.gz XOZXGZYRNIVTAJ-RUZDIDTESA-N 1 1 466.589 4.740 40 0 JJABMO CCOc1ccc(COC)cc1C[N@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000257331317 570147995 /nfs/dbraw/zinc/14/79/95/570147995.db2.gz XSITVTWFFPYOHL-JOCHJYFZSA-N 1 1 461.610 4.529 40 0 JJABMO COc1cccc(-c2cccc(CC3(C(=O)NCC[N@H+]4CCCC[C@H]4C)CCOCC3)c2)c1 ZINC000257340859 570150641 /nfs/dbraw/zinc/15/06/41/570150641.db2.gz ZHUKJRWXVNLVOG-JOCHJYFZSA-N 1 1 450.623 4.692 40 0 JJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000260759391 570156835 /nfs/dbraw/zinc/15/68/35/570156835.db2.gz BCDGNKKTGWIWJC-VWLOTQADSA-N 1 1 485.694 4.654 40 0 JJABMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408574059 570205347 /nfs/dbraw/zinc/20/53/47/570205347.db2.gz HXUBFZAZLMPRCZ-RMKNXTFCSA-N 1 1 451.614 4.716 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001371382 194105679 /nfs/dbraw/zinc/10/56/79/194105679.db2.gz XWVHFNDPWFMPFV-HXUWFJFHSA-N 1 1 450.558 4.802 40 0 JJABMO Cc1cc(C)c2cc(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000001372979 194106737 /nfs/dbraw/zinc/10/67/37/194106737.db2.gz BADRWRNMKGYCTP-UHFFFAOYSA-N 1 1 474.584 4.654 40 0 JJABMO Cc1cc(C)c2cc(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000001372979 194106740 /nfs/dbraw/zinc/10/67/40/194106740.db2.gz BADRWRNMKGYCTP-UHFFFAOYSA-N 1 1 474.584 4.654 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)cc12 ZINC000001372983 194107035 /nfs/dbraw/zinc/10/70/35/194107035.db2.gz GDGYPGOHPOIXSF-UHFFFAOYSA-N 1 1 474.584 4.654 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)cc12 ZINC000001372983 194107037 /nfs/dbraw/zinc/10/70/37/194107037.db2.gz GDGYPGOHPOIXSF-UHFFFAOYSA-N 1 1 474.584 4.654 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000001374648 194108997 /nfs/dbraw/zinc/10/89/97/194108997.db2.gz JGMIGJXVTXUYOC-JOCHJYFZSA-N 1 1 452.603 4.564 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000001374648 194108999 /nfs/dbraw/zinc/10/89/99/194108999.db2.gz JGMIGJXVTXUYOC-JOCHJYFZSA-N 1 1 452.603 4.564 40 0 JJABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cccc(I)c1 ZINC000001358981 194101754 /nfs/dbraw/zinc/10/17/54/194101754.db2.gz AKBPPHCSZMAISW-UHFFFAOYSA-N 1 1 477.371 4.719 40 0 JJABMO COc1cc([C@@H]2c3cc4c(cc3O[C@@]3([NH+]5CCCC5)CCC[C@@H]23)OCO4)cc(OC)c1OC ZINC000001587934 194128646 /nfs/dbraw/zinc/12/86/46/194128646.db2.gz PQIBCMUEYYLERP-FODJJAHYSA-N 1 1 453.535 4.558 40 0 JJABMO CCOc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000012635500 195067215 /nfs/dbraw/zinc/06/72/15/195067215.db2.gz ZOAHGMPJFSYMJD-QHCPKHFHSA-N 1 1 478.662 4.919 40 0 JJABMO O=c1[nH]c2cc3c(cc2cc1CNc1ccc([NH+]2CCCCC2)cc1N1CCCCC1)OCO3 ZINC000057709865 195357704 /nfs/dbraw/zinc/35/77/04/195357704.db2.gz WMKXWJSTOZKRCE-UHFFFAOYSA-N 1 1 460.578 4.850 40 0 JJABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCc3ccccc3F)n2)o1 ZINC000057773529 195359897 /nfs/dbraw/zinc/35/98/97/195359897.db2.gz BSPCRAMYTBFTKM-VXKWHMMOSA-N 1 1 458.537 4.806 40 0 JJABMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000014943933 520105111 /nfs/dbraw/zinc/10/51/11/520105111.db2.gz SQCDPDDPMAMAKQ-SANMLTNESA-N 1 1 479.621 4.863 40 0 JJABMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000020390898 522935299 /nfs/dbraw/zinc/93/52/99/522935299.db2.gz LCAMLBZQFNLJDC-MWVDVNALSA-N 1 1 460.574 4.861 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000020390898 522935308 /nfs/dbraw/zinc/93/53/08/522935308.db2.gz LCAMLBZQFNLJDC-MWVDVNALSA-N 1 1 460.574 4.861 40 0 biogenic,in-vitro JJABMO CCc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000894954 553830877 /nfs/dbraw/zinc/83/08/77/553830877.db2.gz VIGMWUKIGKCFMY-UHFFFAOYSA-N 1 1 492.689 4.629 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)cc12 ZINC000000927036 553863488 /nfs/dbraw/zinc/86/34/88/553863488.db2.gz NLXUAYNUUULGEN-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)cc12 ZINC000000927036 553863489 /nfs/dbraw/zinc/86/34/89/553863489.db2.gz NLXUAYNUUULGEN-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO CCOc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@@H]1CCC[N@H+]1CC ZINC000008829031 554719511 /nfs/dbraw/zinc/71/95/11/554719511.db2.gz JIGHTSCVIRSNIU-QFIPXVFZSA-N 1 1 478.662 4.919 40 0 JJABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000009191863 554964238 /nfs/dbraw/zinc/96/42/38/554964238.db2.gz OTSSZYWKUPHQGU-VYCLJVNGSA-N 1 1 452.595 4.627 40 0 JJABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000009191863 554964239 /nfs/dbraw/zinc/96/42/39/554964239.db2.gz OTSSZYWKUPHQGU-VYCLJVNGSA-N 1 1 452.595 4.627 40 0 JJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215856 554983679 /nfs/dbraw/zinc/98/36/79/554983679.db2.gz FTTAMGFTVMVPRQ-YNJKOYDBSA-N 1 1 458.986 4.664 40 0 JJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215856 554983680 /nfs/dbraw/zinc/98/36/80/554983680.db2.gz FTTAMGFTVMVPRQ-YNJKOYDBSA-N 1 1 458.986 4.664 40 0 JJABMO COc1ccc(-c2ocnc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013150554 555355951 /nfs/dbraw/zinc/35/59/51/555355951.db2.gz NGRYFJUARYBAHQ-UHFFFAOYSA-N 1 1 453.542 4.898 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494537 555405007 /nfs/dbraw/zinc/40/50/07/555405007.db2.gz LNHIZRUTPAWACR-XMMPIXPASA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494537 555405010 /nfs/dbraw/zinc/40/50/10/555405010.db2.gz LNHIZRUTPAWACR-XMMPIXPASA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495882 555409813 /nfs/dbraw/zinc/40/98/13/555409813.db2.gz YQPJSRLSPYCFGV-AREMUKBSSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495882 555409818 /nfs/dbraw/zinc/40/98/18/555409818.db2.gz YQPJSRLSPYCFGV-AREMUKBSSA-N 1 1 496.615 4.969 40 0 JJABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499397 555431235 /nfs/dbraw/zinc/43/12/35/555431235.db2.gz OHQUNEHJEUKEDR-HSZRJFAPSA-N 1 1 492.624 4.687 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499486 555432173 /nfs/dbraw/zinc/43/21/73/555432173.db2.gz MWXRTWVZRPSMNC-ZCYQVOJMSA-N 1 1 478.641 4.596 40 0 JJABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500694 555442908 /nfs/dbraw/zinc/44/29/08/555442908.db2.gz LGMQIZHXSIKZMV-XMMPIXPASA-N 1 1 494.640 4.920 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501106 555447335 /nfs/dbraw/zinc/44/73/35/555447335.db2.gz PPTPWRPATWURQK-XMMPIXPASA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501106 555447337 /nfs/dbraw/zinc/44/73/37/555447337.db2.gz PPTPWRPATWURQK-XMMPIXPASA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501104 555447367 /nfs/dbraw/zinc/44/73/67/555447367.db2.gz RRTRYDGLDLUVMG-XMMPIXPASA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501104 555447368 /nfs/dbraw/zinc/44/73/68/555447368.db2.gz RRTRYDGLDLUVMG-XMMPIXPASA-N 1 1 456.594 4.767 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCC[N@H+]3CC)C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000013511796 555483535 /nfs/dbraw/zinc/48/35/35/555483535.db2.gz JJLLSTLELWEQNB-HSZRJFAPSA-N 1 1 462.594 4.754 40 0 JJABMO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](c2ccccc2)c2cccc(OC)c2)cc1 ZINC000013563992 555498958 /nfs/dbraw/zinc/49/89/58/555498958.db2.gz QTRQDBCXIKFKJB-NYULUDCUSA-N 1 1 492.641 4.721 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000020108286 555643205 /nfs/dbraw/zinc/64/32/05/555643205.db2.gz VEUYZXZUCWWVQP-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)cc12 ZINC000020109197 555644970 /nfs/dbraw/zinc/64/49/70/555644970.db2.gz ZVDGQJAQXXVPDA-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc(F)c1 ZINC000014277096 555785063 /nfs/dbraw/zinc/78/50/63/555785063.db2.gz JYECEXBBQLWBRX-UHFFFAOYSA-N 1 1 483.012 4.928 40 0 JJABMO c1ccc(C(c2ccccc2)[NH+]2CCN([C@H](c3nnnn3C3CCCC3)c3ccccn3)CC2)cc1 ZINC000022921149 555975122 /nfs/dbraw/zinc/97/51/22/555975122.db2.gz SIWYSFHQVUAXRH-NDEPHWFRSA-N 1 1 479.632 4.680 40 0 JJABMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1OC ZINC000023292192 556038353 /nfs/dbraw/zinc/03/83/53/556038353.db2.gz HVQHJZYYDRVJNT-RUZDIDTESA-N 1 1 479.646 4.971 40 0 JJABMO c1ccc2c(c1)nnn2[C@@H](NC1CCCCC1)[C@H]([NH2+]C1CCCCC1)n1nnc2ccccc21 ZINC000023469483 556073575 /nfs/dbraw/zinc/07/35/75/556073575.db2.gz BUSAACUHTXKBEK-CLJLJLNGSA-N 1 1 458.614 4.718 40 0 JJABMO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)C1 ZINC000026781445 556262338 /nfs/dbraw/zinc/26/23/38/556262338.db2.gz JPFWSRHZVJYIOU-NPAAKHOSSA-N 1 1 450.667 4.986 40 0 JJABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C ZINC000019234238 556336788 /nfs/dbraw/zinc/33/67/88/556336788.db2.gz MMALDWPLSKBBSR-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000019522999 556351205 /nfs/dbraw/zinc/35/12/05/556351205.db2.gz DMBFFBNAAFUDMY-UHFFFAOYSA-N 1 1 483.012 4.500 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582661 562939794 /nfs/dbraw/zinc/93/97/94/562939794.db2.gz ZMHVUYNUULKBQA-JOCHJYFZSA-N 1 1 462.594 4.672 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccccc1OC ZINC000008686559 562952799 /nfs/dbraw/zinc/95/27/99/562952799.db2.gz IOVUNJOJGOCLHF-NRFANRHFSA-N 1 1 464.635 4.528 40 0 JJABMO COc1cc([C@@H]2c3cc4c(cc3O[C@@]3([NH+]5CCCC5)CCC[C@H]23)OCO4)cc(OC)c1OC ZINC000054959700 569590366 /nfs/dbraw/zinc/59/03/66/569590366.db2.gz PQIBCMUEYYLERP-UFKXBGGNSA-N 1 1 453.535 4.558 40 0 JJABMO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000059559082 569606782 /nfs/dbraw/zinc/60/67/82/569606782.db2.gz JCJDCBXINZYCRM-UHFFFAOYSA-N 1 1 492.620 4.673 40 0 JJABMO Cc1ccc(C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cc(C)cc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000064163767 569616349 /nfs/dbraw/zinc/61/63/49/569616349.db2.gz NWZOJQQDEHLRJJ-QHNMYUOLSA-N 1 1 491.591 4.626 40 0 JJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1cccc(F)c1 ZINC000034849472 569667202 /nfs/dbraw/zinc/66/72/02/569667202.db2.gz XIXRYICWTNVJPA-UHFFFAOYSA-N 1 1 450.579 4.907 40 0 JJABMO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)C1 ZINC000035031533 569673853 /nfs/dbraw/zinc/67/38/53/569673853.db2.gz JPFWSRHZVJYIOU-HUROMRQRSA-N 1 1 450.667 4.986 40 0 JJABMO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)C1 ZINC000035031517 569673887 /nfs/dbraw/zinc/67/38/87/569673887.db2.gz JPFWSRHZVJYIOU-MVNQZMKCSA-N 1 1 450.667 4.986 40 0 JJABMO CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000100796789 569770233 /nfs/dbraw/zinc/77/02/33/569770233.db2.gz RKMNNYCWZGTVFG-XQDVFQCSSA-N 1 1 467.698 4.557 40 0 JJABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2Cl)c1C ZINC000037020516 569781169 /nfs/dbraw/zinc/78/11/69/569781169.db2.gz JHTJLVABJGVPCF-UHFFFAOYSA-N 1 1 478.058 4.754 40 0 JJABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038864635 569808997 /nfs/dbraw/zinc/80/89/97/569808997.db2.gz VAZJEXULZFYSNG-NDEPHWFRSA-N 1 1 453.630 4.832 40 0 JJABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc2Cl)cc1 ZINC000044871767 569839592 /nfs/dbraw/zinc/83/95/92/569839592.db2.gz DLTIDYUEYFHLTA-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO COc1cc2oc(=O)c(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c(C)c2cc1Cl ZINC000208194654 569874894 /nfs/dbraw/zinc/87/48/94/569874894.db2.gz DCAAXUCSLBNEQL-PQWVSTDZSA-N 1 1 497.035 4.728 40 0 JJABMO O[C@@H](Cc1ccc(Br)cc1)C[N@H+]1CCC[C@@]2(C1)Nc1ccccc1-n1cccc12 ZINC000222016211 569883803 /nfs/dbraw/zinc/88/38/03/569883803.db2.gz HMYJNANLFLYKBG-RDPSFJRHSA-N 1 1 452.396 4.560 40 0 JJABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224576200 569949194 /nfs/dbraw/zinc/94/91/94/569949194.db2.gz UDFXNBCYHMLLMM-UHFFFAOYSA-N 1 1 450.966 4.681 40 0 JJABMO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000225095018 569974659 /nfs/dbraw/zinc/97/46/59/569974659.db2.gz OBIBVEKJSJTQFL-INIZCTEOSA-N 1 1 461.400 4.556 40 0 JJABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@@H]4C)cc3)CCOCC2)cc1 ZINC000225584273 570007548 /nfs/dbraw/zinc/00/75/48/570007548.db2.gz ABYGGXYNGIWOBA-NRFANRHFSA-N 1 1 452.595 4.635 40 0 JJABMO Cc1ccccc1-c1noc(CN(C)C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)n1 ZINC000225590525 570008144 /nfs/dbraw/zinc/00/81/44/570008144.db2.gz BFUCVIRNFFUBPB-UHFFFAOYSA-N 1 1 456.949 4.708 40 0 JJABMO Cc1cccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)n2)c1 ZINC000225590004 570008154 /nfs/dbraw/zinc/00/81/54/570008154.db2.gz AHBNMAACFDFRIB-UHFFFAOYSA-N 1 1 456.949 4.708 40 0 JJABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCCc3ccncc3)n2)o1 ZINC000230286834 570046486 /nfs/dbraw/zinc/04/64/86/570046486.db2.gz HTMLXKKCONTASJ-XZOQPEGZSA-N 1 1 455.562 4.516 40 0 JJABMO Cc1cccc(CSCCNC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000408926178 570078644 /nfs/dbraw/zinc/07/86/44/570078644.db2.gz PVWWYCGEYKVQLE-UHFFFAOYSA-N 1 1 473.686 4.976 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408988378 570093123 /nfs/dbraw/zinc/09/31/23/570093123.db2.gz HTDSXVWZICIUIZ-XMMPIXPASA-N 1 1 497.617 4.530 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408988375 570093149 /nfs/dbraw/zinc/09/31/49/570093149.db2.gz HTDSXVWZICIUIZ-DEOSSOPVSA-N 1 1 497.617 4.530 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2c(C)cccc2C)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408991208 570094100 /nfs/dbraw/zinc/09/41/00/570094100.db2.gz PRKKUFLLSWHVGR-XMMPIXPASA-N 1 1 481.618 4.911 40 0 JJABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2cccc(OCCCn3ccnc3)c2)CC1 ZINC000257236262 570118982 /nfs/dbraw/zinc/11/89/82/570118982.db2.gz HBJQLGFIUMEFFO-HHHXNRCGSA-N 1 1 467.585 4.941 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)c1 ZINC000257244793 570121439 /nfs/dbraw/zinc/12/14/39/570121439.db2.gz IMTQLMYZVSDJCZ-RRPNLBNLSA-N 1 1 470.617 4.734 40 0 JJABMO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccc(F)cc1 ZINC000257247266 570122305 /nfs/dbraw/zinc/12/23/05/570122305.db2.gz IYFBWACVGGJBLD-FQEVSTJZSA-N 1 1 455.961 4.896 40 0 JJABMO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccc(F)cc1 ZINC000257247266 570122307 /nfs/dbraw/zinc/12/23/07/570122307.db2.gz IYFBWACVGGJBLD-FQEVSTJZSA-N 1 1 455.961 4.896 40 0 JJABMO COc1ccccc1-c1cccc(C[N@H+]2CCC[C@@](C)(c3nc(C)cc(C(=O)N(C)C)n3)C2)c1 ZINC000257252656 570123961 /nfs/dbraw/zinc/12/39/61/570123961.db2.gz JVPLCSRONNFQOK-MUUNZHRXSA-N 1 1 458.606 4.716 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccc(F)cc3)C2)c1 ZINC000257256494 570125058 /nfs/dbraw/zinc/12/50/58/570125058.db2.gz KLSKSSTZBBUWHP-JOCHJYFZSA-N 1 1 471.536 4.981 40 0 JJABMO COc1ccccc1OCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)C[N@H+]2Cc1ccccc1 ZINC000257277914 570131997 /nfs/dbraw/zinc/13/19/97/570131997.db2.gz OAALMQRBMSLHDU-FXSPECFOSA-N 1 1 492.566 4.869 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccc(F)c(Cl)c2)C1 ZINC000257278755 570132342 /nfs/dbraw/zinc/13/23/42/570132342.db2.gz ODNYYTIPIOCOBR-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(F)c(Cl)c2)C1 ZINC000257278755 570132344 /nfs/dbraw/zinc/13/23/44/570132344.db2.gz ODNYYTIPIOCOBR-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO Cc1c(F)cccc1NC(=O)C[NH+]1CCC2(CC1)CO[C@@H]1c3cccc(O)c3OC(C)(C)[C@H]1C2 ZINC000257280740 570132849 /nfs/dbraw/zinc/13/28/49/570132849.db2.gz OMDTXMOFHZZBEU-YADARESESA-N 1 1 468.569 4.809 40 0 JJABMO Cc1ccsc1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257297029 570137640 /nfs/dbraw/zinc/13/76/40/570137640.db2.gz RFLLZUOJTKZOKA-VWLOTQADSA-N 1 1 477.070 4.928 40 0 JJABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](Cc3ccccc3OCc3cccnc3)[C@H]1CCCC(=O)N2 ZINC000257318243 570143935 /nfs/dbraw/zinc/14/39/35/570143935.db2.gz VNBSBZQJIQGNKR-WBJKNQCFSA-N 1 1 455.602 4.905 40 0 JJABMO Cc1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)sc2[nH]cnc(=O)c12 ZINC000257329863 570147476 /nfs/dbraw/zinc/14/74/76/570147476.db2.gz XLVATKQMFCGZNU-KTZVHGMNSA-N 1 1 476.646 4.794 40 0 JJABMO CC(C)[C@@H]1C[C@@]2(CCC[N@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)CO[C@H]1c1ccc(F)cc1 ZINC000257332346 570148341 /nfs/dbraw/zinc/14/83/41/570148341.db2.gz XWXKCUMKGSHJLQ-LNBJVWSJSA-N 1 1 451.586 4.785 40 0 JJABMO COc1ccc(-c2nccc([C@H]3CCCN3C(=O)c3cccc(Cn4cc[nH+]c4C)c3)n2)cc1 ZINC000257343263 570151388 /nfs/dbraw/zinc/15/13/88/570151388.db2.gz ZSFOPFLWCPGJDD-RUZDIDTESA-N 1 1 453.546 4.683 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3CCc3ccccc3)C3CCCCC3)cc12 ZINC000001373297 194107117 /nfs/dbraw/zinc/10/71/17/194107117.db2.gz UBOPAZZVGHOAFE-UHFFFAOYSA-N 1 1 470.621 4.709 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3CCc3ccccc3)C3CCCCC3)cc12 ZINC000001373297 194107119 /nfs/dbraw/zinc/10/71/19/194107119.db2.gz UBOPAZZVGHOAFE-UHFFFAOYSA-N 1 1 470.621 4.709 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000001374406 194108696 /nfs/dbraw/zinc/10/86/96/194108696.db2.gz IKRUZZPEHMDGFM-QHCPKHFHSA-N 1 1 450.587 4.534 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000001374406 194108698 /nfs/dbraw/zinc/10/86/98/194108698.db2.gz IKRUZZPEHMDGFM-QHCPKHFHSA-N 1 1 450.587 4.534 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375373 194109985 /nfs/dbraw/zinc/10/99/85/194109985.db2.gz KYDNTSUNLMFXKB-XMMPIXPASA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375373 194109988 /nfs/dbraw/zinc/10/99/88/194109988.db2.gz KYDNTSUNLMFXKB-XMMPIXPASA-N 1 1 460.582 4.669 40 0 JJABMO O[C@H](Cc1ccc(Br)cc1)C[N@H+]1CCC[C@]2(C1)Nc1ccccc1-n1cccc12 ZINC000057719427 195358404 /nfs/dbraw/zinc/35/84/04/195358404.db2.gz HMYJNANLFLYKBG-HYBUGGRVSA-N 1 1 452.396 4.560 40 0 JJABMO O[C@H](Cc1ccc(Br)cc1)C[N@H+]1CCC[C@@]2(C1)Nc1ccccc1-n1cccc12 ZINC000057719439 195358428 /nfs/dbraw/zinc/35/84/28/195358428.db2.gz HMYJNANLFLYKBG-YKSBVNFPSA-N 1 1 452.396 4.560 40 0 JJABMO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1Cl ZINC000016681566 520902238 /nfs/dbraw/zinc/90/22/38/520902238.db2.gz ARYMGGISODOTGA-UHFFFAOYSA-N 1 1 481.449 4.661 40 0 JJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2)cc1 ZINC000020458498 524693382 /nfs/dbraw/zinc/69/33/82/524693382.db2.gz FGTVLQSCPMEOAN-HXUWFJFHSA-N 1 1 493.629 4.980 40 0 JJABMO COc1ccc2cc(C[N@@H+]([C@@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498709 525629925 /nfs/dbraw/zinc/62/99/25/525629925.db2.gz OIMBIPNWLSEUMW-HSZRJFAPSA-N 1 1 466.630 4.810 40 0 JJABMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1 ZINC000000885022 553823719 /nfs/dbraw/zinc/82/37/19/553823719.db2.gz HBQGPWRBSOEDBR-UHFFFAOYSA-N 1 1 492.689 4.683 40 0 JJABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006198148 554519462 /nfs/dbraw/zinc/51/94/62/554519462.db2.gz VMVXVSBVDRMYFX-HSZRJFAPSA-N 1 1 462.642 4.968 40 0 JJABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006198148 554519464 /nfs/dbraw/zinc/51/94/64/554519464.db2.gz VMVXVSBVDRMYFX-HSZRJFAPSA-N 1 1 462.642 4.968 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)cc2Cl)CC1 ZINC000008898213 554788695 /nfs/dbraw/zinc/78/86/95/554788695.db2.gz DBRXDTCNTRVIPZ-UHFFFAOYSA-N 1 1 495.048 4.798 40 0 JJABMO CCCC[C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008917841 554813519 /nfs/dbraw/zinc/81/35/19/554813519.db2.gz ORDVUOQIJHVOHF-BIAIKVISSA-N 1 1 460.659 4.705 40 0 JJABMO CCCC[C@@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008917841 554813520 /nfs/dbraw/zinc/81/35/20/554813520.db2.gz ORDVUOQIJHVOHF-BIAIKVISSA-N 1 1 460.659 4.705 40 0 JJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000009210264 554979774 /nfs/dbraw/zinc/97/97/74/554979774.db2.gz WQGRVIWHZBNCBU-AIGMYPEUSA-N 1 1 452.595 4.627 40 0 JJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000009210264 554979776 /nfs/dbraw/zinc/97/97/76/554979776.db2.gz WQGRVIWHZBNCBU-AIGMYPEUSA-N 1 1 452.595 4.627 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498581 555422566 /nfs/dbraw/zinc/42/25/66/555422566.db2.gz SGHZPIBQZLLOBA-RUZDIDTESA-N 1 1 474.609 4.996 40 0 JJABMO COc1ccc2cc(C[N@@H+]([C@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498708 555423670 /nfs/dbraw/zinc/42/36/70/555423670.db2.gz OIMBIPNWLSEUMW-QHCPKHFHSA-N 1 1 466.630 4.810 40 0 JJABMO Cc1cc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000013498966 555426923 /nfs/dbraw/zinc/42/69/23/555426923.db2.gz XQMGRZQQEQFLPT-RUZDIDTESA-N 1 1 474.609 4.915 40 0 JJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501091 555447243 /nfs/dbraw/zinc/44/72/43/555447243.db2.gz NZJUJTGIPKBIGP-ZEQRLZLVSA-N 1 1 478.641 4.596 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501076 555447325 /nfs/dbraw/zinc/44/73/25/555447325.db2.gz HCHAHGBKNHVZHU-HSZRJFAPSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501076 555447326 /nfs/dbraw/zinc/44/73/26/555447326.db2.gz HCHAHGBKNHVZHU-HSZRJFAPSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501168 555448363 /nfs/dbraw/zinc/44/83/63/555448363.db2.gz GDRDCNSWGPTGOJ-XMMPIXPASA-N 1 1 460.582 4.750 40 0 JJABMO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Cl)c1 ZINC000013671541 555563151 /nfs/dbraw/zinc/56/31/51/555563151.db2.gz OZLVJDWMTVCLGU-UHFFFAOYSA-N 1 1 478.058 4.609 40 0 JJABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2Cl)cc1C ZINC000013676373 555567309 /nfs/dbraw/zinc/56/73/09/555567309.db2.gz YWDKZMZFNMOFTM-UHFFFAOYSA-N 1 1 478.058 4.754 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000020038712 555612493 /nfs/dbraw/zinc/61/24/93/555612493.db2.gz PCRLJAHEFWJQHP-LJAQVGFWSA-N 1 1 496.636 4.927 40 0 JJABMO Cc1cc(C)c2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000020109186 555644958 /nfs/dbraw/zinc/64/49/58/555644958.db2.gz HNJAXODWURICGU-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc3nc(-c4ccc5ccccc5c4)cc(C(F)(F)F)n3n1)C2 ZINC000013959832 555662668 /nfs/dbraw/zinc/66/26/68/555662668.db2.gz NAXMFPYPPUSUJN-IHWFROFDSA-N 1 1 479.506 4.923 40 0 JJABMO Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000014271784 555767615 /nfs/dbraw/zinc/76/76/15/555767615.db2.gz ARZRIBFBECHSJZ-UHFFFAOYSA-N 1 1 462.594 4.583 40 0 JJABMO O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017356594 556259485 /nfs/dbraw/zinc/25/94/85/556259485.db2.gz BSWJAUFTMUJDKJ-UHFFFAOYSA-N 1 1 470.548 4.742 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064163 556261419 /nfs/dbraw/zinc/26/14/19/556261419.db2.gz NFMKIRWBFQOMBM-VWLOTQADSA-N 1 1 490.583 4.607 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064163 556261423 /nfs/dbraw/zinc/26/14/23/556261423.db2.gz NFMKIRWBFQOMBM-VWLOTQADSA-N 1 1 490.583 4.607 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000019221031 556335332 /nfs/dbraw/zinc/33/53/32/556335332.db2.gz OHJCBRYTQANPDY-HHHXNRCGSA-N 1 1 496.615 4.906 40 0 aggregator JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000019221031 556335335 /nfs/dbraw/zinc/33/53/35/556335335.db2.gz OHJCBRYTQANPDY-HHHXNRCGSA-N 1 1 496.615 4.906 40 0 aggregator JJABMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000036641884 560082179 /nfs/dbraw/zinc/08/21/79/560082179.db2.gz LCAMLBZQFNLJDC-OFEZKSIWSA-N 1 1 460.574 4.861 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000036641884 560082180 /nfs/dbraw/zinc/08/21/80/560082180.db2.gz LCAMLBZQFNLJDC-OFEZKSIWSA-N 1 1 460.574 4.861 40 0 biogenic,in-vitro JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008586260 562940900 /nfs/dbraw/zinc/94/09/00/562940900.db2.gz ZMHVUYNUULKBQA-QFIPXVFZSA-N 1 1 462.594 4.672 40 0 JJABMO O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000059559110 569606733 /nfs/dbraw/zinc/60/67/33/569606733.db2.gz VDEXMSJLSYIIDO-XNTDXEJSSA-N 1 1 474.605 4.674 40 0 JJABMO CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000059559125 569606764 /nfs/dbraw/zinc/60/67/64/569606764.db2.gz BKKRMCYBIXNVMU-UHFFFAOYSA-N 1 1 476.621 4.837 40 0 JJABMO COc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059559003 569606807 /nfs/dbraw/zinc/60/68/07/569606807.db2.gz IZKKRRINYMJOAG-UHFFFAOYSA-N 1 1 495.048 4.798 40 0 JJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937053 569638345 /nfs/dbraw/zinc/63/83/45/569638345.db2.gz BPNRXOXVHNOBGE-RCZVLFRGSA-N 1 1 478.641 4.596 40 0 JJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937035 569638436 /nfs/dbraw/zinc/63/84/36/569638436.db2.gz DXRDHHJJYSLTAL-NOZRDPDXSA-N 1 1 478.641 4.596 40 0 JJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038753871 569806699 /nfs/dbraw/zinc/80/66/99/569806699.db2.gz FOSORTMWKCWIHT-LJQANCHMSA-N 1 1 464.031 4.525 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000038756395 569807272 /nfs/dbraw/zinc/80/72/72/569807272.db2.gz QCGLUKZXMRSMOQ-UHFFFAOYSA-N 1 1 456.384 4.936 40 0 JJABMO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000040373389 569824264 /nfs/dbraw/zinc/82/42/64/569824264.db2.gz MENROGNCVITXEV-LJAQVGFWSA-N 1 1 488.672 4.974 40 0 JJABMO Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(C[N@H+]3CCC[C@H]3CO)cc2)c1 ZINC000169340196 569868238 /nfs/dbraw/zinc/86/82/38/569868238.db2.gz NPUXORBZRBIOMQ-VWLOTQADSA-N 1 1 465.615 4.505 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 ZINC000223505539 569913882 /nfs/dbraw/zinc/91/38/82/569913882.db2.gz KRDLZTVVSBLPME-KQWNVCNZSA-N 1 1 456.571 4.638 40 0 JJABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000224570655 569948991 /nfs/dbraw/zinc/94/89/91/569948991.db2.gz PFICCSOINHSGCH-UHFFFAOYSA-N 1 1 462.615 4.620 40 0 JJABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc2Cl)cc1 ZINC000224608449 569950528 /nfs/dbraw/zinc/95/05/28/569950528.db2.gz BGVQNWLMFBUDCZ-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000224773805 569956969 /nfs/dbraw/zinc/95/69/69/569956969.db2.gz ACYMGXAWBCLSOJ-UHFFFAOYSA-N 1 1 484.021 4.667 40 0 JJABMO COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000224912229 569963110 /nfs/dbraw/zinc/96/31/10/569963110.db2.gz NMMUAGLZRVKCNA-UHFFFAOYSA-N 1 1 453.542 4.975 40 0 JJABMO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4Cl)CC3)ccc21 ZINC000225055759 569972256 /nfs/dbraw/zinc/97/22/56/569972256.db2.gz QIGJBSWSEGVWPB-UHFFFAOYSA-N 1 1 450.391 4.758 40 0 JJABMO COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCC[N@@H+](Cc5ccccc5)C4)cc32)cc1 ZINC000225901443 570026551 /nfs/dbraw/zinc/02/65/51/570026551.db2.gz QTUHTQCAKUWRCK-DEOSSOPVSA-N 1 1 469.585 4.749 40 0 JJABMO COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCC[N@@H+](Cc5ccccc5)C4)cc32)cc1 ZINC000225901427 570026565 /nfs/dbraw/zinc/02/65/65/570026565.db2.gz QTUHTQCAKUWRCK-XMMPIXPASA-N 1 1 469.585 4.749 40 0 JJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCCSCc3ccc(C)cc3)cc2)CC1 ZINC000408829117 570052560 /nfs/dbraw/zinc/05/25/60/570052560.db2.gz OEPCPAQGPHHERL-UHFFFAOYSA-N 1 1 489.685 4.989 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408988601 570093227 /nfs/dbraw/zinc/09/32/27/570093227.db2.gz IMPBNMYZDWXQEM-DEOSSOPVSA-N 1 1 481.618 4.911 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2c(C)cccc2C)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408991207 570094141 /nfs/dbraw/zinc/09/41/41/570094141.db2.gz PRKKUFLLSWHVGR-DEOSSOPVSA-N 1 1 481.618 4.911 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000253500369 570101509 /nfs/dbraw/zinc/10/15/09/570101509.db2.gz IAHAHKQNCYDOBU-ISKFKSNPSA-N 1 1 464.614 4.556 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C[C@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000253500595 570102143 /nfs/dbraw/zinc/10/21/43/570102143.db2.gz XWPKXZJYYWRRHC-ILBGXUMGSA-N 1 1 478.641 4.954 40 0 JJABMO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1)N1CCCCC1 ZINC000257200131 570107683 /nfs/dbraw/zinc/10/76/83/570107683.db2.gz ACDHLWOXSSQXTN-MHZLTWQESA-N 1 1 482.024 4.874 40 0 JJABMO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1)N1CCCCC1 ZINC000257200131 570107684 /nfs/dbraw/zinc/10/76/84/570107684.db2.gz ACDHLWOXSSQXTN-MHZLTWQESA-N 1 1 482.024 4.874 40 0 JJABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COc4ccccc4)C[C@@H]32)cc1OC ZINC000257204154 570109172 /nfs/dbraw/zinc/10/91/72/570109172.db2.gz ATFXJWWPLQQSRO-ZONZVBGPSA-N 1 1 486.612 4.599 40 0 JJABMO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCC[N@H+]3CCCC[C@H]3C)CCOCC2)c1 ZINC000257217785 570113446 /nfs/dbraw/zinc/11/34/46/570113446.db2.gz DAPBQWOUNUPFDN-OAQYLSRUSA-N 1 1 468.613 4.831 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000257218235 570113582 /nfs/dbraw/zinc/11/35/82/570113582.db2.gz DCIZMTHPJCJNMT-JOCHJYFZSA-N 1 1 453.546 4.842 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H]2c2cncc(Cc3cccc(C)c3)n2)c1 ZINC000257226415 570116009 /nfs/dbraw/zinc/11/60/09/570116009.db2.gz FKNZWJXLLVTBRW-HHHXNRCGSA-N 1 1 451.574 4.906 40 0 JJABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+]2Cc2ccccc2-c2ccccc2F)c1 ZINC000257231277 570117410 /nfs/dbraw/zinc/11/74/10/570117410.db2.gz GGABEGNDINPIFO-RUZDIDTESA-N 1 1 467.548 4.968 40 0 JJABMO CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CCn4cc[nH+]c4CC)CC3)CO[C@H]21 ZINC000257235951 570118869 /nfs/dbraw/zinc/11/88/69/570118869.db2.gz HAFBOYCVGBTDTP-SQJMNOBHSA-N 1 1 481.637 4.792 40 0 JJABMO C[N@@H+](Cc1ccccc1)[C@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000257236235 570119002 /nfs/dbraw/zinc/11/90/02/570119002.db2.gz HBHRVJXHYFUJBU-FNAHDJPLSA-N 1 1 480.527 4.611 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCO[C@@H](c3cccc(Oc4ccc(C)cc4)n3)C2)c1 ZINC000257269680 570129591 /nfs/dbraw/zinc/12/95/91/570129591.db2.gz MQXZBZPPQLYLAI-AREMUKBSSA-N 1 1 468.557 4.949 40 0 JJABMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2cc(Nc3ccc(F)cn3)nc(C)n2)CC1 ZINC000257269790 570129601 /nfs/dbraw/zinc/12/96/01/570129601.db2.gz MRJNVNLPQCXLPL-UHFFFAOYSA-N 1 1 462.573 4.752 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257275125 570131193 /nfs/dbraw/zinc/13/11/93/570131193.db2.gz NNZYYQNQSIFKLN-JOCHJYFZSA-N 1 1 453.546 4.842 40 0 JJABMO C[N@H+]1CCC[C@@](CCCc2cnccn2)(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)C1 ZINC000257275415 570131211 /nfs/dbraw/zinc/13/12/11/570131211.db2.gz NPHVFRHGKRHLBF-GDLZYMKVSA-N 1 1 471.649 4.541 40 0 JJABMO C[N@H+]1CCC[C@@](CCCc2cnccn2)(C(=O)N2CCC(Cc3cccc4cccnc43)CC2)C1 ZINC000257281037 570132988 /nfs/dbraw/zinc/13/29/88/570132988.db2.gz ONJPGSBWMOHNQZ-GDLZYMKVSA-N 1 1 471.649 4.541 40 0 JJABMO CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](CC(=O)Nc4cn(CC)nc4C)CC3)CO[C@H]21 ZINC000257283903 570133824 /nfs/dbraw/zinc/13/38/24/570133824.db2.gz PAKVOSHGJZSVBX-SQJMNOBHSA-N 1 1 496.652 4.580 40 0 JJABMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257300585 570138616 /nfs/dbraw/zinc/13/86/16/570138616.db2.gz RUXCCWMOTLKIDE-FQEVSTJZSA-N 1 1 470.495 4.522 40 0 JJABMO CCN1CC[NH+](CCC(=O)NCC2(c3ccc(-c4ccccc4OC)cc3)CCCCC2)CC1 ZINC000257305090 570139888 /nfs/dbraw/zinc/13/98/88/570139888.db2.gz SOKBTZPHLFJROR-UHFFFAOYSA-N 1 1 463.666 4.708 40 0 JJABMO O=C1CCCC[C@]2(C[N@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000257311958 570142030 /nfs/dbraw/zinc/14/20/30/570142030.db2.gz ULTMPTBWDNYSSP-JYFHCDHNSA-N 1 1 464.516 4.576 40 0 JJABMO Cc1ccsc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257323006 570145325 /nfs/dbraw/zinc/14/53/25/570145325.db2.gz WIJRFPTUYIFTKR-AREMUKBSSA-N 1 1 490.113 4.844 40 0 JJABMO CCOc1ccc(COC)cc1C[N@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000257331318 570147935 /nfs/dbraw/zinc/14/79/35/570147935.db2.gz XSITVTWFFPYOHL-QFIPXVFZSA-N 1 1 461.610 4.529 40 0 JJABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](Cc4ccccc4OCc4cccnc4)C[C@@H]32)cc1 ZINC000257335749 570149221 /nfs/dbraw/zinc/14/92/21/570149221.db2.gz YLQYWGOYRWIRPX-JCYYIGJDSA-N 1 1 471.601 4.506 40 0 JJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000260763806 570157108 /nfs/dbraw/zinc/15/71/08/570157108.db2.gz GKOMXUHDJSGDDF-VWLOTQADSA-N 1 1 485.694 4.654 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(F)cc1 ZINC000001332278 194090940 /nfs/dbraw/zinc/09/09/40/194090940.db2.gz OQAJZCNVDQLELJ-QHCPKHFHSA-N 1 1 466.626 4.967 40 0 JJABMO CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CC[NH+](Cc3ccccc3)CC1)CCCC2 ZINC000001448712 194123083 /nfs/dbraw/zinc/12/30/83/194123083.db2.gz RJEAIRQCBOCKKW-AREMUKBSSA-N 1 1 460.647 4.888 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccccc1OC ZINC000012635637 195067412 /nfs/dbraw/zinc/06/74/12/195067412.db2.gz GQKWIPHGSAWHFL-QFIPXVFZSA-N 1 1 478.662 4.837 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000012709783 195094545 /nfs/dbraw/zinc/09/45/45/195094545.db2.gz PJKDGYJWMYTJQD-OAQYLSRUSA-N 1 1 499.011 4.717 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012706565 195092961 /nfs/dbraw/zinc/09/29/61/195092961.db2.gz HUDOGQYSCHDRKM-QFIPXVFZSA-N 1 1 462.594 4.672 40 0 JJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501090 522980042 /nfs/dbraw/zinc/98/00/42/522980042.db2.gz NZJUJTGIPKBIGP-BJKOFHAPSA-N 1 1 478.641 4.596 40 0 JJABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006197902 524058431 /nfs/dbraw/zinc/05/84/31/524058431.db2.gz VMVXVSBVDRMYFX-QHCPKHFHSA-N 1 1 462.642 4.968 40 0 JJABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006197902 524058435 /nfs/dbraw/zinc/05/84/35/524058435.db2.gz VMVXVSBVDRMYFX-QHCPKHFHSA-N 1 1 462.642 4.968 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000044885932 527370977 /nfs/dbraw/zinc/37/09/77/527370977.db2.gz CVFGCJLBRKZPSU-UHFFFAOYSA-N 1 1 456.384 4.936 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000020486315 527374332 /nfs/dbraw/zinc/37/43/32/527374332.db2.gz OGVURBRJESLOQW-NDEPHWFRSA-N 1 1 482.609 4.885 40 0 JJABMO Cc1cc2cc(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000000927218 553863830 /nfs/dbraw/zinc/86/38/30/553863830.db2.gz WODBTNGRINJBKP-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO Cc1cc2cc(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000000927218 553863834 /nfs/dbraw/zinc/86/38/34/553863834.db2.gz WODBTNGRINJBKP-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO Cc1cc(C)c2cc(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927431 553864232 /nfs/dbraw/zinc/86/42/32/553864232.db2.gz NKLBEWLBAVGALY-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO Cc1cc(C)c2cc(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927431 553864234 /nfs/dbraw/zinc/86/42/34/553864234.db2.gz NKLBEWLBAVGALY-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC000008831716 554723368 /nfs/dbraw/zinc/72/33/68/554723368.db2.gz XPSRWZJEVVSLHJ-UHFFFAOYSA-N 1 1 457.814 4.525 40 0 JJABMO COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000008898218 554788703 /nfs/dbraw/zinc/78/87/03/554788703.db2.gz PZDBFLKIEFTPTC-UHFFFAOYSA-N 1 1 487.840 4.534 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495848 555409929 /nfs/dbraw/zinc/40/99/29/555409929.db2.gz VQUXZRPLTOOJML-AREMUKBSSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495848 555409935 /nfs/dbraw/zinc/40/99/35/555409935.db2.gz VQUXZRPLTOOJML-AREMUKBSSA-N 1 1 496.615 4.969 40 0 JJABMO COc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498612 555422426 /nfs/dbraw/zinc/42/24/26/555422426.db2.gz OVHGJZVZDLQSIH-RUZDIDTESA-N 1 1 488.636 4.720 40 0 JJABMO COc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498612 555422428 /nfs/dbraw/zinc/42/24/28/555422428.db2.gz OVHGJZVZDLQSIH-RUZDIDTESA-N 1 1 488.636 4.720 40 0 JJABMO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013498783 555424849 /nfs/dbraw/zinc/42/48/49/555424849.db2.gz LIKGROKFXDJIQG-DEOSSOPVSA-N 1 1 494.640 4.573 40 0 JJABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013499370 555430899 /nfs/dbraw/zinc/43/08/99/555430899.db2.gz FVAUECURARIGRD-DEOSSOPVSA-N 1 1 464.614 4.924 40 0 JJABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500107 555436542 /nfs/dbraw/zinc/43/65/42/555436542.db2.gz SKAZZRNLDNHDKR-HSZRJFAPSA-N 1 1 460.582 4.750 40 0 JJABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500174 555437256 /nfs/dbraw/zinc/43/72/56/555437256.db2.gz QXLJBPATFHNSTE-QHCPKHFHSA-N 1 1 466.630 4.954 40 0 JJABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500174 555437258 /nfs/dbraw/zinc/43/72/58/555437258.db2.gz QXLJBPATFHNSTE-QHCPKHFHSA-N 1 1 466.630 4.954 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCC3)cc2c1 ZINC000013500281 555438595 /nfs/dbraw/zinc/43/85/95/555438595.db2.gz TXPOSNDPQDAETP-QHCPKHFHSA-N 1 1 466.630 4.810 40 0 JJABMO Cc1cccc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500615 555442226 /nfs/dbraw/zinc/44/22/26/555442226.db2.gz SDVUNVKWLFGIFK-DEOSSOPVSA-N 1 1 460.582 4.606 40 0 JJABMO CC(C)[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500686 555442962 /nfs/dbraw/zinc/44/29/62/555442962.db2.gz FAANZFNZHNECPM-RUZDIDTESA-N 1 1 492.624 4.890 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501109 555447658 /nfs/dbraw/zinc/44/76/58/555447658.db2.gz QPOXAOAWSLTRRQ-VWLOTQADSA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501109 555447660 /nfs/dbraw/zinc/44/76/60/555447660.db2.gz QPOXAOAWSLTRRQ-VWLOTQADSA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501169 555448308 /nfs/dbraw/zinc/44/83/08/555448308.db2.gz GDRDCNSWGPTGOJ-DEOSSOPVSA-N 1 1 460.582 4.750 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCC[N@H+]3CC)C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000013511792 555483486 /nfs/dbraw/zinc/48/34/86/555483486.db2.gz JJLLSTLELWEQNB-QHCPKHFHSA-N 1 1 462.594 4.754 40 0 JJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020108938 555644338 /nfs/dbraw/zinc/64/43/38/555644338.db2.gz IERQGEFGWLUNBE-LJQANCHMSA-N 1 1 464.031 4.525 40 0 JJABMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010361918 555697144 /nfs/dbraw/zinc/69/71/44/555697144.db2.gz KLIBNYJXCXNTFU-UHFFFAOYSA-N 1 1 479.602 4.653 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cc2Cl)CC1 ZINC000014277270 555785491 /nfs/dbraw/zinc/78/54/91/555785491.db2.gz ROHKXXHGXFKETD-UHFFFAOYSA-N 1 1 475.058 4.644 40 0 JJABMO COc1c(F)c(F)c(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c(F)c1F ZINC000014291056 555791996 /nfs/dbraw/zinc/79/19/96/555791996.db2.gz LSDYHNIOMXZCRF-UHFFFAOYSA-N 1 1 491.460 4.965 40 0 JJABMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000015967626 556093877 /nfs/dbraw/zinc/09/38/77/556093877.db2.gz DZAAESPYYUEWME-JTVNFJCOSA-N 1 1 497.982 4.663 40 0 JJABMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000015967626 556093882 /nfs/dbraw/zinc/09/38/82/556093882.db2.gz DZAAESPYYUEWME-JTVNFJCOSA-N 1 1 497.982 4.663 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C[C@@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000013063670 556260774 /nfs/dbraw/zinc/26/07/74/556260774.db2.gz XWPKXZJYYWRRHC-ZCYQVOJMSA-N 1 1 478.641 4.542 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013064046 556261505 /nfs/dbraw/zinc/26/15/05/556261505.db2.gz WBMRBCYTCCIQRH-DEOSSOPVSA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064199 556261571 /nfs/dbraw/zinc/26/15/71/556261571.db2.gz SBWSFLVKBCOEGH-SANMLTNESA-N 1 1 486.620 4.662 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064199 556261574 /nfs/dbraw/zinc/26/15/74/556261574.db2.gz SBWSFLVKBCOEGH-SANMLTNESA-N 1 1 486.620 4.662 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000027373458 556277296 /nfs/dbraw/zinc/27/72/96/556277296.db2.gz MOMNTZHQIYJMSS-DOIPELPJSA-N 1 1 468.475 4.836 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000027373458 556277297 /nfs/dbraw/zinc/27/72/97/556277297.db2.gz MOMNTZHQIYJMSS-DOIPELPJSA-N 1 1 468.475 4.836 40 0 JJABMO O=C(c1ccco1)N1CC[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000027498822 556280990 /nfs/dbraw/zinc/28/09/90/556280990.db2.gz MJYRRGDDYFSKQK-GOSISDBHSA-N 1 1 472.372 4.513 40 0 JJABMO S=c1[nH]nc(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1-c1ccccc1 ZINC000028464769 556333886 /nfs/dbraw/zinc/33/38/86/556333886.db2.gz QDSWJOTYOWKVCI-UHFFFAOYSA-N 1 1 455.631 4.880 40 0 JJABMO CCCOc1ccc(N2C[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2=O)cc1 ZINC000019831337 556398285 /nfs/dbraw/zinc/39/82/85/556398285.db2.gz MAXIHFUUGPZMDS-AREMUKBSSA-N 1 1 497.639 4.762 40 0 JJABMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000245226253 560037392 /nfs/dbraw/zinc/03/73/92/560037392.db2.gz MGXWFQMOWOODPK-OEQAEZTDSA-N 1 1 482.621 4.636 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000245226253 560037395 /nfs/dbraw/zinc/03/73/95/560037395.db2.gz MGXWFQMOWOODPK-OEQAEZTDSA-N 1 1 482.621 4.636 40 0 biogenic,in-vitro JJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000033937297 569638812 /nfs/dbraw/zinc/63/88/12/569638812.db2.gz JAXYRMNIPTUFFH-RPWUZVMVSA-N 1 1 478.641 4.596 40 0 JJABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2Cl)c(C)c1 ZINC000037020517 569781189 /nfs/dbraw/zinc/78/11/89/569781189.db2.gz NQSLUYBTWYWICY-UHFFFAOYSA-N 1 1 478.058 4.754 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000038752825 569806457 /nfs/dbraw/zinc/80/64/57/569806457.db2.gz RTLHUMKYMRMDAA-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1OC ZINC000038848981 569808889 /nfs/dbraw/zinc/80/88/89/569808889.db2.gz NQYFYSUCPGZJMB-QGZVFWFLSA-N 1 1 451.394 4.582 40 0 JJABMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1OC ZINC000038848981 569808890 /nfs/dbraw/zinc/80/88/90/569808890.db2.gz NQYFYSUCPGZJMB-QGZVFWFLSA-N 1 1 451.394 4.582 40 0 JJABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1OC ZINC000038848978 569808901 /nfs/dbraw/zinc/80/89/01/569808901.db2.gz ZIXUCIBJHZDBJF-SFHVURJKSA-N 1 1 451.394 4.582 40 0 JJABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1OC ZINC000038848978 569808902 /nfs/dbraw/zinc/80/89/02/569808902.db2.gz ZIXUCIBJHZDBJF-SFHVURJKSA-N 1 1 451.394 4.582 40 0 JJABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cccc(Cl)c1 ZINC000224149919 569934526 /nfs/dbraw/zinc/93/45/26/569934526.db2.gz FOANXDUPKOZXLM-UHFFFAOYSA-N 1 1 450.966 4.886 40 0 JJABMO COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000224902907 569962567 /nfs/dbraw/zinc/96/25/67/569962567.db2.gz OAIPGITVXVBYPK-UHFFFAOYSA-N 1 1 453.542 4.975 40 0 JJABMO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)s1 ZINC000225654418 570012605 /nfs/dbraw/zinc/01/26/05/570012605.db2.gz XGSCWZDYHRSQGK-UHFFFAOYSA-N 1 1 455.447 4.653 40 0 JJABMO Cc1nc(Cc2ccccc2)ncc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225794927 570022108 /nfs/dbraw/zinc/02/21/08/570022108.db2.gz KWDNBYJMDWWLQB-UHFFFAOYSA-N 1 1 462.597 4.923 40 0 JJABMO Cc1cccc(-c2noc(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000225814379 570022987 /nfs/dbraw/zinc/02/29/87/570022987.db2.gz IKJVVQPFLFDDBT-UHFFFAOYSA-N 1 1 466.585 4.911 40 0 JJABMO O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225873299 570025976 /nfs/dbraw/zinc/02/59/76/570025976.db2.gz FUEHZPHKFZIGAS-UHFFFAOYSA-N 1 1 453.905 4.628 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408985208 570092145 /nfs/dbraw/zinc/09/21/45/570092145.db2.gz AFFOKKVKIIOCNU-QHCPKHFHSA-N 1 1 467.591 4.603 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408993982 570094989 /nfs/dbraw/zinc/09/49/89/570094989.db2.gz XUNWBMICZBHXGC-HSZRJFAPSA-N 1 1 467.591 4.603 40 0 JJABMO Cc1ccn(CCOc2ccc(C[N@H+]3CCC[C@@](O)(COc4cc(C)c(Cl)c(C)c4)C3)cc2)n1 ZINC000257205988 570109764 /nfs/dbraw/zinc/10/97/64/570109764.db2.gz BBKBOGSYULCAQM-MHZLTWQESA-N 1 1 484.040 4.947 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H]1c1cncc(Cc2cccc(C)c2)n1 ZINC000257216058 570112907 /nfs/dbraw/zinc/11/29/07/570112907.db2.gz CSXYTFVSTKKGDC-MHZLTWQESA-N 1 1 451.574 4.906 40 0 JJABMO COc1ccccc1Oc1nccnc1C1CC[NH+](Cc2ccnc(N3CCCCCC3)n2)CC1 ZINC000257217506 570113363 /nfs/dbraw/zinc/11/33/63/570113363.db2.gz CZGHNIWMCZRBLL-UHFFFAOYSA-N 1 1 474.609 4.828 40 0 JJABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)c4ccc(CN(C)C)o4)C[C@@H]32)cc1 ZINC000257227164 570116331 /nfs/dbraw/zinc/11/63/31/570116331.db2.gz FNZFHLDWNJBHTE-ZONZVBGPSA-N 1 1 457.618 4.780 40 0 JJABMO COc1ccc(-c2nccc([C@H]3CCCN3C(=O)c3ccccc3Cn3cc[nH+]c3C)n2)cc1 ZINC000257233729 570118202 /nfs/dbraw/zinc/11/82/02/570118202.db2.gz GQMLJUAIUOHUOW-RUZDIDTESA-N 1 1 453.546 4.683 40 0 JJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCN(C(C)=O)C[C@@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000257247720 570122496 /nfs/dbraw/zinc/12/24/96/570122496.db2.gz JADYPPXNAHFGSO-QHCPKHFHSA-N 1 1 468.601 4.762 40 0 JJABMO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2ccc3cc[nH]c3c2)CCO1)N1CCCCC1 ZINC000257277517 570131878 /nfs/dbraw/zinc/13/18/78/570131878.db2.gz NYGMXCDITUZFOF-MHZLTWQESA-N 1 1 482.024 4.874 40 0 JJABMO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2ccc3cc[nH]c3c2)CCO1)N1CCCCC1 ZINC000257277517 570131879 /nfs/dbraw/zinc/13/18/79/570131879.db2.gz NYGMXCDITUZFOF-MHZLTWQESA-N 1 1 482.024 4.874 40 0 JJABMO Cc1c2cc(C)ccc2oc1C[N@H+]1CCC[C@@H]([C@](O)(CNC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000257287115 570134712 /nfs/dbraw/zinc/13/47/12/570134712.db2.gz POOWXFGUNKHWTA-LYZGTLIUSA-N 1 1 463.622 4.707 40 0 JJABMO Cc1c2cc(C)ccc2oc1C[N@H+]1CCC[C@H]([C@@](O)(CNC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000257287114 570134746 /nfs/dbraw/zinc/13/47/46/570134746.db2.gz POOWXFGUNKHWTA-KMRXNPHXSA-N 1 1 463.622 4.707 40 0 JJABMO Cc1c2cc(C)ccc2oc1C[N@H+]1CCC[C@@H]([C@@](O)(CNC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000257287116 570134780 /nfs/dbraw/zinc/13/47/80/570134780.db2.gz POOWXFGUNKHWTA-PIKZIKFNSA-N 1 1 463.622 4.707 40 0 JJABMO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000257304673 570139712 /nfs/dbraw/zinc/13/97/12/570139712.db2.gz SMRBJQOXXBQANT-LUKWVAJMSA-N 1 1 461.002 4.636 40 0 JJABMO CN1C(=O)CCC[C@]12C[N@@H+](Cc1cccc(OCc3ccccn3)c1)C[C@H]2c1ccc(F)cc1 ZINC000257305009 570139876 /nfs/dbraw/zinc/13/98/76/570139876.db2.gz SOBPZIVRCCMFOO-XTEPFMGCSA-N 1 1 459.565 4.780 40 0 JJABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000257309270 570141173 /nfs/dbraw/zinc/14/11/73/570141173.db2.gz UAHICKZUTQZZIE-MOZWKJSSSA-N 1 1 475.633 4.778 40 0 JJABMO COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccccc3Cn3cc[nH+]c3C)n2)c1 ZINC000257321644 570144917 /nfs/dbraw/zinc/14/49/17/570144917.db2.gz WCNVMKYGXIOFPO-RUZDIDTESA-N 1 1 453.546 4.683 40 0 JJABMO O=C(c1ccccc1-c1ccccc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2cnccn2)C1 ZINC000257327689 570146737 /nfs/dbraw/zinc/14/67/37/570146737.db2.gz XCHDWQHOMFKSFV-RUZDIDTESA-N 1 1 462.597 4.961 40 0 JJABMO CCOCc1cc(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)ccc1OC ZINC000257330609 570147635 /nfs/dbraw/zinc/14/76/35/570147635.db2.gz XPBWDQQYOIOHKM-JOCHJYFZSA-N 1 1 461.610 4.529 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000257330589 570147707 /nfs/dbraw/zinc/14/77/07/570147707.db2.gz XOZXGZYRNIVTAJ-VWLOTQADSA-N 1 1 466.589 4.740 40 0 JJABMO COc1cccc(-c2cccc(CC3(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CCOCC3)c2)c1 ZINC000257340860 570150647 /nfs/dbraw/zinc/15/06/47/570150647.db2.gz ZHUKJRWXVNLVOG-QFIPXVFZSA-N 1 1 450.623 4.692 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375522 194110140 /nfs/dbraw/zinc/11/01/40/194110140.db2.gz CPYRFJIWEOVYPB-AREMUKBSSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375522 194110143 /nfs/dbraw/zinc/11/01/43/194110143.db2.gz CPYRFJIWEOVYPB-AREMUKBSSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374398 194108745 /nfs/dbraw/zinc/10/87/45/194108745.db2.gz PGMQTVVDJSXYAW-VWLOTQADSA-N 1 1 488.636 4.864 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374398 194108747 /nfs/dbraw/zinc/10/87/47/194108747.db2.gz PGMQTVVDJSXYAW-VWLOTQADSA-N 1 1 488.636 4.864 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374288 194108833 /nfs/dbraw/zinc/10/88/33/194108833.db2.gz KQZWCUCKAVJFBZ-VWLOTQADSA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374288 194108835 /nfs/dbraw/zinc/10/88/35/194108835.db2.gz KQZWCUCKAVJFBZ-VWLOTQADSA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375381 194109877 /nfs/dbraw/zinc/10/98/77/194109877.db2.gz QZSLBAARQQTOSF-HHHXNRCGSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375381 194109880 /nfs/dbraw/zinc/10/98/80/194109880.db2.gz QZSLBAARQQTOSF-HHHXNRCGSA-N 1 1 496.615 4.969 40 0 JJABMO CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CC[NH+](Cc3ccccc3)CC1)CCCC2 ZINC000001448713 194123154 /nfs/dbraw/zinc/12/31/54/194123154.db2.gz RJEAIRQCBOCKKW-SANMLTNESA-N 1 1 460.647 4.888 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(OC)cc1 ZINC000012635625 195067035 /nfs/dbraw/zinc/06/70/35/195067035.db2.gz KVMWPFYRGPMJFO-HSZRJFAPSA-N 1 1 478.662 4.837 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000012635681 195067457 /nfs/dbraw/zinc/06/74/57/195067457.db2.gz RAEMITYFMBWPRX-XMMPIXPASA-N 1 1 462.663 4.506 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000012635684 195067476 /nfs/dbraw/zinc/06/74/76/195067476.db2.gz RAEMITYFMBWPRX-DEOSSOPVSA-N 1 1 462.663 4.506 40 0 JJABMO CCCC[C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000012662530 195081537 /nfs/dbraw/zinc/08/15/37/195081537.db2.gz BACBBWRARCHFCT-BIAIKVISSA-N 1 1 460.659 4.705 40 0 JJABMO CCCC[C@@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000012662530 195081540 /nfs/dbraw/zinc/08/15/40/195081540.db2.gz BACBBWRARCHFCT-BIAIKVISSA-N 1 1 460.659 4.705 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000012709773 195094557 /nfs/dbraw/zinc/09/45/57/195094557.db2.gz XBULZXLNTMMXMW-LJQANCHMSA-N 1 1 499.011 4.717 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)CC1 ZINC000016681563 521699013 /nfs/dbraw/zinc/69/90/13/521699013.db2.gz ORKNJECNQCEDGF-UHFFFAOYSA-N 1 1 451.423 4.571 40 0 JJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020459861 523020217 /nfs/dbraw/zinc/02/02/17/523020217.db2.gz JGLMEACTENYSAP-IBGZPJMESA-N 1 1 464.031 4.525 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000020109190 524340598 /nfs/dbraw/zinc/34/05/98/524340598.db2.gz SXEAWCMHXADDOW-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO Cc1ccc(C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807479 526240545 /nfs/dbraw/zinc/24/05/45/526240545.db2.gz TXYVFFUIEMPVJQ-YZUKIZEGSA-N 1 1 497.982 4.663 40 0 JJABMO Cc1ccc(C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807479 526240551 /nfs/dbraw/zinc/24/05/51/526240551.db2.gz TXYVFFUIEMPVJQ-YZUKIZEGSA-N 1 1 497.982 4.663 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020481558 527385230 /nfs/dbraw/zinc/38/52/30/527385230.db2.gz ALVGVEZQCPJIDG-UHFFFAOYSA-N 1 1 495.004 4.873 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044946901 527385769 /nfs/dbraw/zinc/38/57/69/527385769.db2.gz DVXITWHWMVXEMZ-UHFFFAOYSA-N 1 1 495.004 4.873 40 0 JJABMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1OC ZINC000000843564 553794261 /nfs/dbraw/zinc/79/42/61/553794261.db2.gz CRPWIJSUYRXLER-IZZNHLLZSA-N 1 1 452.514 4.816 40 0 JJABMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c(C)c1 ZINC000000885029 553823683 /nfs/dbraw/zinc/82/36/83/553823683.db2.gz BOVVDKBRCHKSEV-UHFFFAOYSA-N 1 1 492.689 4.683 40 0 JJABMO CCc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000894967 553831175 /nfs/dbraw/zinc/83/11/75/553831175.db2.gz LOMJCZGNALSUBZ-UHFFFAOYSA-N 1 1 492.689 4.629 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000926851 553863526 /nfs/dbraw/zinc/86/35/26/553863526.db2.gz GMTFMSOPBIXZJH-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000926851 553863527 /nfs/dbraw/zinc/86/35/27/553863527.db2.gz GMTFMSOPBIXZJH-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282825 554525941 /nfs/dbraw/zinc/52/59/41/554525941.db2.gz MDAOUOQJNROLRS-DEOSSOPVSA-N 1 1 476.625 4.774 40 0 JJABMO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282825 554525945 /nfs/dbraw/zinc/52/59/45/554525945.db2.gz MDAOUOQJNROLRS-DEOSSOPVSA-N 1 1 476.625 4.774 40 0 JJABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006408550 554534626 /nfs/dbraw/zinc/53/46/26/554534626.db2.gz ZICUEJIHHAWJEZ-VWLOTQADSA-N 1 1 470.621 4.622 40 0 JJABMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062820 554880392 /nfs/dbraw/zinc/88/03/92/554880392.db2.gz JRTHDSXBLQMSDO-UHFFFAOYSA-N 1 1 493.629 4.655 40 0 JJABMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009063705 554881609 /nfs/dbraw/zinc/88/16/09/554881609.db2.gz AUDBXHCLHXTLGB-UHFFFAOYSA-N 1 1 450.385 4.693 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009330661 555100830 /nfs/dbraw/zinc/10/08/30/555100830.db2.gz XCJBUTYEPXPYJJ-UWHLTILDSA-N 1 1 452.913 4.610 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009330661 555100832 /nfs/dbraw/zinc/10/08/32/555100832.db2.gz XCJBUTYEPXPYJJ-UWHLTILDSA-N 1 1 452.913 4.610 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCC3)cc2c1 ZINC000013498429 555420466 /nfs/dbraw/zinc/42/04/66/555420466.db2.gz IKSAUBHTVWXVRO-HSZRJFAPSA-N 1 1 450.631 4.974 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498538 555421516 /nfs/dbraw/zinc/42/15/16/555421516.db2.gz SSLYUKPIBCOVNP-UKILVPOCSA-N 1 1 478.641 4.534 40 0 JJABMO COc1ccc2cc(C[N@@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498767 555424124 /nfs/dbraw/zinc/42/41/24/555424124.db2.gz ADAHZOHLLBSFRX-RUZDIDTESA-N 1 1 490.608 4.697 40 0 JJABMO COc1ccc2cc(C[N@@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498766 555424269 /nfs/dbraw/zinc/42/42/69/555424269.db2.gz ADAHZOHLLBSFRX-VWLOTQADSA-N 1 1 490.608 4.697 40 0 JJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499303 555430344 /nfs/dbraw/zinc/43/03/44/555430344.db2.gz UUVFJJYWKDUWRE-UKILVPOCSA-N 1 1 478.641 4.678 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499582 555432908 /nfs/dbraw/zinc/43/29/08/555432908.db2.gz YNCQMVVZCYBUEJ-OZXSUGGESA-N 1 1 492.668 4.987 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500162 555437213 /nfs/dbraw/zinc/43/72/13/555437213.db2.gz AOMGFNKEJMBVMM-ZCYQVOJMSA-N 1 1 478.641 4.678 40 0 JJABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500197 555437826 /nfs/dbraw/zinc/43/78/26/555437826.db2.gz WAROKDXYIGPJSE-OAQYLSRUSA-N 1 1 480.613 4.674 40 0 JJABMO Cc1cccc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500614 555442088 /nfs/dbraw/zinc/44/20/88/555442088.db2.gz SDVUNVKWLFGIFK-XMMPIXPASA-N 1 1 460.582 4.606 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500653 555442579 /nfs/dbraw/zinc/44/25/79/555442579.db2.gz ZLAPBYUWORMBAJ-VWLOTQADSA-N 1 1 474.609 4.996 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501207 555448098 /nfs/dbraw/zinc/44/80/98/555448098.db2.gz MDULJEMFACCAQB-NRFANRHFSA-N 1 1 480.613 4.674 40 0 JJABMO Cc1sc(NC(=O)C[NH+]2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013564966 555500571 /nfs/dbraw/zinc/50/05/71/555500571.db2.gz JXDMPMGYXCTJEF-UHFFFAOYSA-N 1 1 460.603 4.664 40 0 JJABMO CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc(OCC)c1OCC ZINC000010002488 555590335 /nfs/dbraw/zinc/59/03/35/555590335.db2.gz VWNBCZYKJNSOAO-UHFFFAOYSA-N 1 1 476.017 4.930 40 0 JJABMO Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000021898604 555857132 /nfs/dbraw/zinc/85/71/32/555857132.db2.gz UZEWBMOCQHPYCC-UHFFFAOYSA-N 1 1 481.640 4.781 40 0 JJABMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000015022169 555864093 /nfs/dbraw/zinc/86/40/93/555864093.db2.gz MYNYSEUTTLCYRK-XMMPIXPASA-N 1 1 493.604 4.583 40 0 JJABMO CCc1cc([C@H](c2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000023292162 556037880 /nfs/dbraw/zinc/03/78/80/556037880.db2.gz VIQIXSZJUDRTPS-VWLOTQADSA-N 1 1 479.646 4.917 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000013063752 556261248 /nfs/dbraw/zinc/26/12/48/556261248.db2.gz DJZVTTUJIAHGHA-XMMPIXPASA-N 1 1 460.582 4.614 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000013063752 556261249 /nfs/dbraw/zinc/26/12/49/556261249.db2.gz DJZVTTUJIAHGHA-XMMPIXPASA-N 1 1 460.582 4.614 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000030847568 556376083 /nfs/dbraw/zinc/37/60/83/556376083.db2.gz IEAKDDKKVWGPCN-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000030854609 556379329 /nfs/dbraw/zinc/37/93/29/556379329.db2.gz ZMCBRNXFFUGIJV-UHFFFAOYSA-N 1 1 495.004 4.589 40 0 JJABMO COc1ccc([C@@H]2Cc3cc(OC)c(OC)cc3[C@H](c3ccc(OC)c(OC)c3)[NH2+]2)cc1OC ZINC000031795270 556404707 /nfs/dbraw/zinc/40/47/07/556404707.db2.gz HJTUCLGFYSNIMK-DCFHFQCYSA-N 1 1 465.546 4.715 40 0 JJABMO O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000059559113 569606791 /nfs/dbraw/zinc/60/67/91/569606791.db2.gz DFCYZOYUTGVQEE-UHFFFAOYSA-N 1 1 497.039 4.857 40 0 JJABMO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[N@H+](CCN)[C@H]1[C@H]2C ZINC000072399359 569703634 /nfs/dbraw/zinc/70/36/34/569703634.db2.gz QCFBFPHBSKOKSL-QBWUJNPXSA-N 1 1 454.699 4.673 40 0 in-vitro JJABMO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[N@@H+](CCN)[C@H]1[C@H]2C ZINC000072399359 569703636 /nfs/dbraw/zinc/70/36/36/569703636.db2.gz QCFBFPHBSKOKSL-QBWUJNPXSA-N 1 1 454.699 4.673 40 0 in-vitro JJABMO Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(C(F)(F)F)c2)c2c1nc[nH+]c2N ZINC000077293197 569705714 /nfs/dbraw/zinc/70/57/14/569705714.db2.gz PXVQGBJMIQCDEX-UHFFFAOYSA-N 1 1 469.442 4.507 40 0 in-vitro JJABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100227744 569755796 /nfs/dbraw/zinc/75/57/96/569755796.db2.gz YHJASAOVNLGHPM-RUZDIDTESA-N 1 1 480.580 4.759 40 0 JJABMO O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039772481 569811924 /nfs/dbraw/zinc/81/19/24/569811924.db2.gz WYDBRKALGJCRDL-UHFFFAOYSA-N 1 1 494.032 4.504 40 0 JJABMO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000040373385 569824267 /nfs/dbraw/zinc/82/42/67/569824267.db2.gz MENROGNCVITXEV-GDLZYMKVSA-N 1 1 488.672 4.974 40 0 JJABMO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000223793876 569923535 /nfs/dbraw/zinc/92/35/35/569923535.db2.gz XOTIINDZDIHTJL-UHFFFAOYSA-N 1 1 459.428 4.980 40 0 JJABMO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224157212 569934825 /nfs/dbraw/zinc/93/48/25/569934825.db2.gz ZEMXWIFCUSWQQF-UHFFFAOYSA-N 1 1 455.318 4.996 40 0 JJABMO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224546920 569947948 /nfs/dbraw/zinc/94/79/48/569947948.db2.gz WEJWFQQWTUNFBZ-UHFFFAOYSA-N 1 1 451.792 4.510 40 0 JJABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)ccc2Cl)c1 ZINC000224773946 569957014 /nfs/dbraw/zinc/95/70/14/569957014.db2.gz QZYARHJYYLMRJH-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO CCn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Br)cc4)CC3)ccc21 ZINC000225111087 569975526 /nfs/dbraw/zinc/97/55/26/569975526.db2.gz MCQBBTJBILCFNB-UHFFFAOYSA-N 1 1 474.424 4.696 40 0 JJABMO S=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccc(Br)cn1 ZINC000225224643 569983781 /nfs/dbraw/zinc/98/37/81/569983781.db2.gz VQSVRRAIMLKZRP-UHFFFAOYSA-N 1 1 450.793 4.834 40 0 JJABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2)C1 ZINC000225574222 570006812 /nfs/dbraw/zinc/00/68/12/570006812.db2.gz RRJNZTDTNONSKH-OYRHEFFESA-N 1 1 454.586 4.869 40 0 JJABMO O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584375 570007553 /nfs/dbraw/zinc/00/75/53/570007553.db2.gz VDABPAAYLZQYCH-UHFFFAOYSA-N 1 1 480.971 4.655 40 0 JJABMO O=C(CCc1nc(-c2cccc(F)c2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225800917 570022342 /nfs/dbraw/zinc/02/23/42/570022342.db2.gz JTFOHBOFAGUSQS-UHFFFAOYSA-N 1 1 470.548 4.742 40 0 JJABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+]([C@H](C)Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000252311115 570079912 /nfs/dbraw/zinc/07/99/12/570079912.db2.gz SFSYYUGLFPFHKN-NVXWUHKLSA-N 1 1 462.516 4.748 40 0 JJABMO C=C1[NH+]=C(SCc2cccc(C)c2)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408986481 570092502 /nfs/dbraw/zinc/09/25/02/570092502.db2.gz COKDIKUAJSFCSH-JOCHJYFZSA-N 1 1 470.591 4.792 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000253500294 570101395 /nfs/dbraw/zinc/10/13/95/570101395.db2.gz AOKSMOHJHAEEEE-ILBGXUMGSA-N 1 1 478.641 4.865 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 ZINC000257222065 570114670 /nfs/dbraw/zinc/11/46/70/570114670.db2.gz DRSUROPBQXIDCC-BVAGGSTKSA-N 1 1 465.981 4.736 40 0 JJABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+]2Cc2cccc(-c3ccccc3F)c2)c1 ZINC000257233228 570117971 /nfs/dbraw/zinc/11/79/71/570117971.db2.gz GOILEEPVSXPWNC-VWLOTQADSA-N 1 1 467.548 4.968 40 0 JJABMO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)CCC1(C)C ZINC000257249736 570123103 /nfs/dbraw/zinc/12/31/03/570123103.db2.gz JJPCGCVKAIGRSW-UHFFFAOYSA-N 1 1 485.694 4.721 40 0 JJABMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@]12CCCCC(=O)N2 ZINC000257250945 570123392 /nfs/dbraw/zinc/12/33/92/570123392.db2.gz JORFPIRTASHUPG-ABYGYWHVSA-N 1 1 471.601 4.698 40 0 JJABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cccc(-c5cncnc5)n4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257259682 570126245 /nfs/dbraw/zinc/12/62/45/570126245.db2.gz KZMUZNWBSLGKKQ-DYXRGMLLSA-N 1 1 467.617 4.627 40 0 JJABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COc4ccccc4)C[C@@H]32)cc1 ZINC000257267440 570128708 /nfs/dbraw/zinc/12/87/08/570128708.db2.gz MHIFRVJAKQGBGU-JCYYIGJDSA-N 1 1 456.586 4.591 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCO[C@H](c3cccc(Oc4ccc(C)cc4)n3)C2)c1 ZINC000257269681 570129593 /nfs/dbraw/zinc/12/95/93/570129593.db2.gz MQXZBZPPQLYLAI-SANMLTNESA-N 1 1 468.557 4.949 40 0 JJABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+]2Cc2cccc(-c3cccc(F)c3)c2)c1 ZINC000257296830 570137436 /nfs/dbraw/zinc/13/74/36/570137436.db2.gz RENVBZRWPRGIHR-RUZDIDTESA-N 1 1 467.548 4.968 40 0 JJABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCCn3cccn3)cc2)CC1 ZINC000257296788 570137512 /nfs/dbraw/zinc/13/75/12/570137512.db2.gz REKJMVFCBLHMGK-HHHXNRCGSA-N 1 1 467.585 4.941 40 0 JJABMO COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccccc3Cn3cc[nH+]c3C)n2)c1 ZINC000257321645 570144958 /nfs/dbraw/zinc/14/49/58/570144958.db2.gz WCNVMKYGXIOFPO-VWLOTQADSA-N 1 1 453.546 4.683 40 0 JJABMO O=C(c1ccccc1-c1ccccc1)N1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2cnccn2)C1 ZINC000257327690 570146806 /nfs/dbraw/zinc/14/68/06/570146806.db2.gz XCHDWQHOMFKSFV-VWLOTQADSA-N 1 1 462.597 4.961 40 0 JJABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000257331969 570148200 /nfs/dbraw/zinc/14/82/00/570148200.db2.gz XVDXUSBAXAHALG-DPZBCOQUSA-N 1 1 458.562 4.652 40 0 JJABMO COc1cccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5[N@@H+](C)[C@H]4Cc3ccccc3)[nH]n2)c1 ZINC000257333030 570148375 /nfs/dbraw/zinc/14/83/75/570148375.db2.gz XZUDHYOSXKPHDU-DYXRGMLLSA-N 1 1 470.617 4.784 40 0 JJABMO COc1cccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5[N@H+](C)[C@H]4Cc3ccccc3)n[nH]2)c1 ZINC000257333030 570148376 /nfs/dbraw/zinc/14/83/76/570148376.db2.gz XZUDHYOSXKPHDU-DYXRGMLLSA-N 1 1 470.617 4.784 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccc(F)c3)C2)c1 ZINC000257341080 570150653 /nfs/dbraw/zinc/15/06/53/570150653.db2.gz ZIUAZHCETMNTMD-JOCHJYFZSA-N 1 1 471.536 4.981 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001327071 194087278 /nfs/dbraw/zinc/08/72/78/194087278.db2.gz SLQSRXPDPPZHDJ-QFIPXVFZSA-N 1 1 450.558 4.802 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(F)cc1 ZINC000001332281 194090922 /nfs/dbraw/zinc/09/09/22/194090922.db2.gz OQAJZCNVDQLELJ-HSZRJFAPSA-N 1 1 466.626 4.967 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)cc2c1 ZINC000001372975 194106614 /nfs/dbraw/zinc/10/66/14/194106614.db2.gz WMXVEUNOXQLICR-UHFFFAOYSA-N 1 1 474.584 4.599 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)cc2c1 ZINC000001372975 194106618 /nfs/dbraw/zinc/10/66/18/194106618.db2.gz WMXVEUNOXQLICR-UHFFFAOYSA-N 1 1 474.584 4.599 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374193 194108107 /nfs/dbraw/zinc/10/81/07/194108107.db2.gz PEDYESPSYDVFRD-VWLOTQADSA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374193 194108110 /nfs/dbraw/zinc/10/81/10/194108110.db2.gz PEDYESPSYDVFRD-VWLOTQADSA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000001374438 194108644 /nfs/dbraw/zinc/10/86/44/194108644.db2.gz IAIZJNPZQJPXKE-SANMLTNESA-N 1 1 486.620 4.858 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374289 194108654 /nfs/dbraw/zinc/10/86/54/194108654.db2.gz KQZWCUCKAVJFBZ-RUZDIDTESA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374289 194108656 /nfs/dbraw/zinc/10/86/56/194108656.db2.gz KQZWCUCKAVJFBZ-RUZDIDTESA-N 1 1 474.584 4.906 40 0 JJABMO COc1ccccc1NC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000003842060 194363803 /nfs/dbraw/zinc/36/38/03/194363803.db2.gz XPKSMVHVUHUJLA-VQTJNVASSA-N 1 1 497.599 4.612 40 0 biogenic,in-vitro JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000012709790 195094471 /nfs/dbraw/zinc/09/44/71/195094471.db2.gz PJKDGYJWMYTJQD-NRFANRHFSA-N 1 1 499.011 4.717 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000012707787 195093296 /nfs/dbraw/zinc/09/32/96/195093296.db2.gz DXRCUACZBIIDRR-OAQYLSRUSA-N 1 1 468.985 4.709 40 0 JJABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057589547 195351382 /nfs/dbraw/zinc/35/13/82/195351382.db2.gz LWNXMCIBZNWSGD-VWLOTQADSA-N 1 1 474.584 4.618 40 0 JJABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057589547 195351385 /nfs/dbraw/zinc/35/13/85/195351385.db2.gz LWNXMCIBZNWSGD-VWLOTQADSA-N 1 1 474.584 4.618 40 0 JJABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057613757 195353563 /nfs/dbraw/zinc/35/35/63/195353563.db2.gz HTNOGSKFTDAEEX-AREMUKBSSA-N 1 1 486.620 4.510 40 0 JJABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057613757 195353565 /nfs/dbraw/zinc/35/35/65/195353565.db2.gz HTNOGSKFTDAEEX-AREMUKBSSA-N 1 1 486.620 4.510 40 0 JJABMO CCOc1ccccc1C(=O)NC1CC[NH+](CC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000057681249 195357404 /nfs/dbraw/zinc/35/74/04/195357404.db2.gz DRUCGPQNBMNHPN-UHFFFAOYSA-N 1 1 457.574 4.644 40 0 JJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1OC ZINC000057774384 195360014 /nfs/dbraw/zinc/36/00/14/195360014.db2.gz QMCWWSIWHWTGHS-RLWLMLJZSA-N 1 1 463.553 4.621 40 0 JJABMO COc1cccc(CNc2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccc(C)o3)cc(=O)[nH]2)c1 ZINC000057773504 195360042 /nfs/dbraw/zinc/36/00/42/195360042.db2.gz ZVLBSDXVCASQTD-BJKOFHAPSA-N 1 1 470.573 4.675 40 0 JJABMO CCCCCC[C@@](C)(O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@@]1(C)Oc4c5c(ccc4O)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316350 130059148 /nfs/dbraw/zinc/05/91/48/130059148.db2.gz UXAZUQJUCGSBCW-HLXFHJFTSA-N 1 1 467.650 4.724 40 0 biogenic,in-vitro JJABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149583 521372265 /nfs/dbraw/zinc/37/22/65/521372265.db2.gz FJOZBDPBIMHSAD-QHCPKHFHSA-N 1 1 478.641 4.804 40 0 JJABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149583 521372272 /nfs/dbraw/zinc/37/22/72/521372272.db2.gz FJOZBDPBIMHSAD-QHCPKHFHSA-N 1 1 478.641 4.804 40 0 JJABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cccs4)n3)cn2)cc1 ZINC000049155259 523746784 /nfs/dbraw/zinc/74/67/84/523746784.db2.gz CFVXBUXDMMOUGI-FQEVSTJZSA-N 1 1 461.547 4.791 40 0 biogenic,in-vitro JJABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4cccs4)n3)cn2)cc1 ZINC000049155259 523746789 /nfs/dbraw/zinc/74/67/89/523746789.db2.gz CFVXBUXDMMOUGI-FQEVSTJZSA-N 1 1 461.547 4.791 40 0 biogenic,in-vitro JJABMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2Cl)cc1 ZINC000044904278 525600406 /nfs/dbraw/zinc/60/04/06/525600406.db2.gz BNQWXUIGMXTHKI-KDURUIRLSA-N 1 1 478.058 4.547 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000022513351 527372300 /nfs/dbraw/zinc/37/23/00/527372300.db2.gz YKNMSYGPRKYQSC-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO CCc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000894926 553830931 /nfs/dbraw/zinc/83/09/31/553830931.db2.gz SYNBLDZAFWEACP-UHFFFAOYSA-N 1 1 492.689 4.629 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000000926827 553863064 /nfs/dbraw/zinc/86/30/64/553863064.db2.gz QUGRJYPDOPEDHQ-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000000926827 553863067 /nfs/dbraw/zinc/86/30/67/553863067.db2.gz QUGRJYPDOPEDHQ-UHFFFAOYSA-N 1 1 456.594 4.515 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927451 553864213 /nfs/dbraw/zinc/86/42/13/553864213.db2.gz ASANDUNCRYEMAI-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927451 553864215 /nfs/dbraw/zinc/86/42/15/553864215.db2.gz ASANDUNCRYEMAI-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000002134728 554061516 /nfs/dbraw/zinc/06/15/16/554061516.db2.gz MGXWFQMOWOODPK-RSYZWFLXSA-N 1 1 482.621 4.636 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000002134728 554061518 /nfs/dbraw/zinc/06/15/18/554061518.db2.gz MGXWFQMOWOODPK-RSYZWFLXSA-N 1 1 482.621 4.636 40 0 biogenic,in-vitro JJABMO COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Cl ZINC000008898185 554788457 /nfs/dbraw/zinc/78/84/57/554788457.db2.gz JWXIBXPMNRZZQA-UHFFFAOYSA-N 1 1 487.840 4.534 40 0 JJABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281283 555050538 /nfs/dbraw/zinc/05/05/38/555050538.db2.gz OMZCJLFMQVLRGE-ZODMCCGTSA-N 1 1 458.986 4.664 40 0 JJABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281283 555050540 /nfs/dbraw/zinc/05/05/40/555050540.db2.gz OMZCJLFMQVLRGE-ZODMCCGTSA-N 1 1 458.986 4.664 40 0 JJABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc(Cl)cc2)[N@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000009332613 555101714 /nfs/dbraw/zinc/10/17/14/555101714.db2.gz CMIBTSDRLYJTPQ-NGSHPTGOSA-N 1 1 483.955 4.803 40 0 JJABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc(Cl)cc2)[N@@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000009332613 555101717 /nfs/dbraw/zinc/10/17/17/555101717.db2.gz CMIBTSDRLYJTPQ-NGSHPTGOSA-N 1 1 483.955 4.803 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494547 555404834 /nfs/dbraw/zinc/40/48/34/555404834.db2.gz OYURSUXSUXZMSB-RUZDIDTESA-N 1 1 488.636 4.864 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494547 555404839 /nfs/dbraw/zinc/40/48/39/555404839.db2.gz OYURSUXSUXZMSB-RUZDIDTESA-N 1 1 488.636 4.864 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCC3)cc2c1 ZINC000013498428 555420336 /nfs/dbraw/zinc/42/03/36/555420336.db2.gz IKSAUBHTVWXVRO-QHCPKHFHSA-N 1 1 450.631 4.974 40 0 JJABMO COc1ccc2cc(C[N@@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498747 555424312 /nfs/dbraw/zinc/42/43/12/555424312.db2.gz RSMIXXOBKQHJAY-AREMUKBSSA-N 1 1 486.620 4.713 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000013499160 555428827 /nfs/dbraw/zinc/42/88/27/555428827.db2.gz WSUGATMBIXWYMA-RUZDIDTESA-N 1 1 474.609 4.915 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000013499161 555428844 /nfs/dbraw/zinc/42/88/44/555428844.db2.gz WSUGATMBIXWYMA-VWLOTQADSA-N 1 1 474.609 4.915 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500070 555435956 /nfs/dbraw/zinc/43/59/56/555435956.db2.gz JAXYRMNIPTUFFH-ZEQRLZLVSA-N 1 1 478.641 4.596 40 0 JJABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500145 555436963 /nfs/dbraw/zinc/43/69/63/555436963.db2.gz CQPDUNGQPGAQQW-XMMPIXPASA-N 1 1 460.582 4.750 40 0 JJABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500695 555442816 /nfs/dbraw/zinc/44/28/16/555442816.db2.gz LGMQIZHXSIKZMV-DEOSSOPVSA-N 1 1 494.640 4.920 40 0 JJABMO CC(C)[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500684 555442856 /nfs/dbraw/zinc/44/28/56/555442856.db2.gz ZWNDLJFIDRZCPF-XMMPIXPASA-N 1 1 478.597 4.500 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000020049364 555618718 /nfs/dbraw/zinc/61/87/18/555618718.db2.gz OEBJTRWFWJSHSK-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000014271826 555767900 /nfs/dbraw/zinc/76/79/00/555767900.db2.gz KFJQXLXONHFYAL-IZZDOVSWSA-N 1 1 457.043 4.742 40 0 JJABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014277066 555785090 /nfs/dbraw/zinc/78/50/90/555785090.db2.gz QDNRTBPVSPDMIR-UHFFFAOYSA-N 1 1 495.048 4.798 40 0 JJABMO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)C1 ZINC000026781440 556262564 /nfs/dbraw/zinc/26/25/64/556262564.db2.gz JPFWSRHZVJYIOU-DURWQBQJSA-N 1 1 450.667 4.986 40 0 JJABMO CCCn1nnnc1COc1nc(C[NH+]2CCC(C)CC2)nc2scc(-c3cccs3)c21 ZINC000028616768 556336941 /nfs/dbraw/zinc/33/69/41/556336941.db2.gz KXIALMLKECHIEJ-UHFFFAOYSA-N 1 1 469.640 4.627 40 0 JJABMO CCCOc1ccc(N2C[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2=O)cc1 ZINC000019831335 556398401 /nfs/dbraw/zinc/39/84/01/556398401.db2.gz MAXIHFUUGPZMDS-SANMLTNESA-N 1 1 497.639 4.762 40 0 JJABMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1[NH2+]CCc2cc(O)c(OC)cc21 ZINC000252078476 560040803 /nfs/dbraw/zinc/04/08/03/560040803.db2.gz DTGZHCFJNDAHEN-LFUSFCIXSA-N 1 1 466.622 4.640 40 0 biogenic,in-vitro JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008582673 562939832 /nfs/dbraw/zinc/93/98/32/562939832.db2.gz AYOKKHOJNMLLPS-RUZDIDTESA-N 1 1 482.588 4.660 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008582673 562939833 /nfs/dbraw/zinc/93/98/33/562939833.db2.gz AYOKKHOJNMLLPS-RUZDIDTESA-N 1 1 482.588 4.660 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582767 562939924 /nfs/dbraw/zinc/93/99/24/562939924.db2.gz PMUNYGJMUDYHOB-JOCHJYFZSA-N 1 1 462.594 4.672 40 0 JJABMO COc1cc(OC)cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059557263 569606801 /nfs/dbraw/zinc/60/68/01/569606801.db2.gz LZHBELOLWPFIBZ-UHFFFAOYSA-N 1 1 465.981 4.932 40 0 JJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1F ZINC000033624415 569629070 /nfs/dbraw/zinc/62/90/70/569629070.db2.gz IDAFJOCKYULUBG-UHFFFAOYSA-N 1 1 450.579 4.907 40 0 JJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000033937300 569638873 /nfs/dbraw/zinc/63/88/73/569638873.db2.gz LVAFIIPZXZDWJY-JWQCQUIFSA-N 1 1 492.668 4.987 40 0 JJABMO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)C1 ZINC000035031522 569673937 /nfs/dbraw/zinc/67/39/37/569673937.db2.gz JPFWSRHZVJYIOU-RNJDCESWSA-N 1 1 450.667 4.986 40 0 JJABMO O=S(=O)(Cc1ccccc1)N1CC[C@]2(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC000096071130 569732571 /nfs/dbraw/zinc/73/25/71/569732571.db2.gz SZIWUJYUCMJLPF-NDEPHWFRSA-N 1 1 460.643 4.746 40 0 JJABMO Cc1ccccc1C[NH+]1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccccc2C)CC4)C1 ZINC000100493047 569762225 /nfs/dbraw/zinc/76/22/25/569762225.db2.gz SVFLYGUEHUXGJZ-RUZDIDTESA-N 1 1 481.644 4.990 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000038755907 569807185 /nfs/dbraw/zinc/80/71/85/569807185.db2.gz CGNNNJSMXWUGMR-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000038836174 569808701 /nfs/dbraw/zinc/80/87/01/569808701.db2.gz XGLULRZZTFCYRB-SFHVURJKSA-N 1 1 462.421 4.563 40 0 JJABMO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000038836162 569808723 /nfs/dbraw/zinc/80/87/23/569808723.db2.gz YMUPRCINDYECEU-IBGZPJMESA-N 1 1 462.421 4.563 40 0 JJABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1OCC ZINC000107714734 569857129 /nfs/dbraw/zinc/85/71/29/569857129.db2.gz SFIGCMQMAJCXHY-UHFFFAOYSA-N 1 1 463.441 4.740 40 0 JJABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1OC ZINC000224580380 569949386 /nfs/dbraw/zinc/94/93/86/569949386.db2.gz LMUUOKLESAPPGG-UHFFFAOYSA-N 1 1 460.574 4.631 40 0 JJABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc2Cl)c1 ZINC000224608380 569950545 /nfs/dbraw/zinc/95/05/45/569950545.db2.gz ZSUQIVNNHRMOSL-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224743123 569955681 /nfs/dbraw/zinc/95/56/81/569955681.db2.gz OWYWYROEKIAJNA-UHFFFAOYSA-N 1 1 450.966 4.681 40 0 JJABMO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(Br)cc4)CC3)s2)cc1 ZINC000224769139 569956852 /nfs/dbraw/zinc/95/68/52/569956852.db2.gz LHWNGTJHPGGBIM-UHFFFAOYSA-N 1 1 487.423 4.827 40 0 JJABMO COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)c(OC)c1 ZINC000224936315 569964053 /nfs/dbraw/zinc/96/40/53/569964053.db2.gz GZFZBZBWTIMTER-UHFFFAOYSA-N 1 1 483.568 4.984 40 0 JJABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000225579989 570007257 /nfs/dbraw/zinc/00/72/57/570007257.db2.gz XRXSJRJIDOTODC-UHFFFAOYSA-N 1 1 450.385 4.693 40 0 JJABMO O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588683 570007963 /nfs/dbraw/zinc/00/79/63/570007963.db2.gz JHGGPINBOZCIHA-UHFFFAOYSA-N 1 1 457.977 4.956 40 0 JJABMO CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000226070584 570035683 /nfs/dbraw/zinc/03/56/83/570035683.db2.gz MKADZBWCJPOWIV-SANMLTNESA-N 1 1 482.709 4.856 40 0 JJABMO O=C(NCCSCc1ccccc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408833775 570052932 /nfs/dbraw/zinc/05/29/32/570052932.db2.gz YEOURFHRXBCHQO-UHFFFAOYSA-N 1 1 459.659 4.668 40 0 JJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCCSc3ccccc3)cc2)CC1 ZINC000408838459 570053294 /nfs/dbraw/zinc/05/32/94/570053294.db2.gz WMNUOFTWAJFRCO-UHFFFAOYSA-N 1 1 461.631 4.540 40 0 JJABMO Cc1ccc(CSCCNC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000408856797 570056634 /nfs/dbraw/zinc/05/66/34/570056634.db2.gz DTUWFMJJGNWGML-UHFFFAOYSA-N 1 1 473.686 4.976 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408988602 570093236 /nfs/dbraw/zinc/09/32/36/570093236.db2.gz IMPBNMYZDWXQEM-XMMPIXPASA-N 1 1 481.618 4.911 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000253500311 570101301 /nfs/dbraw/zinc/10/13/01/570101301.db2.gz BHUVNVHGOLLKJI-NOZRDPDXSA-N 1 1 494.640 4.647 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3C[C@H]3CCCO3)C3CCCC3)cc2c1 ZINC000253500317 570101357 /nfs/dbraw/zinc/10/13/57/570101357.db2.gz BLHWHKLADGXHMY-VWNXMTODSA-N 1 1 464.614 4.564 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C[C@H]3CCCO3)C3CCCC3)cc2c1 ZINC000253500317 570101358 /nfs/dbraw/zinc/10/13/58/570101358.db2.gz BLHWHKLADGXHMY-VWNXMTODSA-N 1 1 464.614 4.564 40 0 JJABMO Cc1cc2cc(C[N@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000253500491 570101907 /nfs/dbraw/zinc/10/19/07/570101907.db2.gz QVAWYUOUSRCYRJ-NOZRDPDXSA-N 1 1 478.641 4.865 40 0 JJABMO Cc1cc2cc(C[N@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000253500490 570101952 /nfs/dbraw/zinc/10/19/52/570101952.db2.gz QVAWYUOUSRCYRJ-ILBGXUMGSA-N 1 1 478.641 4.865 40 0 JJABMO Cc1ccn(CCOc2ccc(C[N@H+]3CCC[C@](O)(COc4cc(C)c(Cl)c(C)c4)C3)cc2)n1 ZINC000257205987 570109723 /nfs/dbraw/zinc/10/97/23/570109723.db2.gz BBKBOGSYULCAQM-HHHXNRCGSA-N 1 1 484.040 4.947 40 0 JJABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+]2Cc2cccc(-c3ccccc3F)c2)c1 ZINC000257233227 570117981 /nfs/dbraw/zinc/11/79/81/570117981.db2.gz GOILEEPVSXPWNC-RUZDIDTESA-N 1 1 467.548 4.968 40 0 JJABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](CCCc3ccccc3)C2)ccc1Cl ZINC000257248132 570122588 /nfs/dbraw/zinc/12/25/88/570122588.db2.gz JCGAFCMLSRDNHN-NDEPHWFRSA-N 1 1 485.068 4.991 40 0 JJABMO CN1C(=O)CCC[C@]12C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)C[C@H]2c1ccc(F)cc1 ZINC000257284002 570133791 /nfs/dbraw/zinc/13/37/91/570133791.db2.gz PAVLEWHQAKGXOF-FREGXXQWSA-N 1 1 485.603 4.512 40 0 JJABMO CN1C(=O)CCC[C@]12C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)C[C@H]2c1ccc(F)cc1 ZINC000257284002 570133793 /nfs/dbraw/zinc/13/37/93/570133793.db2.gz PAVLEWHQAKGXOF-FREGXXQWSA-N 1 1 485.603 4.512 40 0 JJABMO Cc1c2cc(C)ccc2oc1C[N@H+]1CCC[C@H]([C@](O)(CNC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000257287117 570134728 /nfs/dbraw/zinc/13/47/28/570134728.db2.gz POOWXFGUNKHWTA-RBTNQOKQSA-N 1 1 463.622 4.707 40 0 JJABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCCn3cccn3)cc2)CC1 ZINC000257296789 570137459 /nfs/dbraw/zinc/13/74/59/570137459.db2.gz REKJMVFCBLHMGK-MHZLTWQESA-N 1 1 467.585 4.941 40 0 JJABMO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2cccc(F)c2F)C[N@H+]3Cc2ccccc2)o1 ZINC000257296658 570137546 /nfs/dbraw/zinc/13/75/46/570137546.db2.gz RDTOPELOVVYOQD-VDKIKQQVSA-N 1 1 479.571 4.750 40 0 JJABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000257329657 570147412 /nfs/dbraw/zinc/14/74/12/570147412.db2.gz XKWOCPMXBVLOME-HWBMXIPRSA-N 1 1 489.538 4.917 40 0 JJABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000257329657 570147413 /nfs/dbraw/zinc/14/74/13/570147413.db2.gz XKWOCPMXBVLOME-HWBMXIPRSA-N 1 1 489.538 4.917 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4cccc(Cl)c4)CO3)C2)c1 ZINC000257333738 570148696 /nfs/dbraw/zinc/14/86/96/570148696.db2.gz YCWFSCYKUYZVLW-RSXGOPAZSA-N 1 1 465.981 4.736 40 0 JJABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000257342928 570151263 /nfs/dbraw/zinc/15/12/63/570151263.db2.gz ZQRCNGPFUBACAN-HFMPRLQTSA-N 1 1 475.511 4.527 40 0 JJABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000257342928 570151264 /nfs/dbraw/zinc/15/12/64/570151264.db2.gz ZQRCNGPFUBACAN-HFMPRLQTSA-N 1 1 475.511 4.527 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001371121 194105263 /nfs/dbraw/zinc/10/52/63/194105263.db2.gz VONVGTCWCAROOC-QHCPKHFHSA-N 1 1 450.558 4.802 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000001375513 194110182 /nfs/dbraw/zinc/11/01/82/194110182.db2.gz KETLSXRBTPWSBY-QHCPKHFHSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000001375513 194110183 /nfs/dbraw/zinc/11/01/83/194110183.db2.gz KETLSXRBTPWSBY-QHCPKHFHSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374115 194108291 /nfs/dbraw/zinc/10/82/91/194108291.db2.gz HRKFRAXABJDSFK-XMMPIXPASA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374115 194108294 /nfs/dbraw/zinc/10/82/94/194108294.db2.gz HRKFRAXABJDSFK-XMMPIXPASA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374114 194108337 /nfs/dbraw/zinc/10/83/37/194108337.db2.gz HRKFRAXABJDSFK-DEOSSOPVSA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374114 194108338 /nfs/dbraw/zinc/10/83/38/194108338.db2.gz HRKFRAXABJDSFK-DEOSSOPVSA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374399 194108540 /nfs/dbraw/zinc/10/85/40/194108540.db2.gz PGMQTVVDJSXYAW-RUZDIDTESA-N 1 1 488.636 4.864 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374399 194108542 /nfs/dbraw/zinc/10/85/42/194108542.db2.gz PGMQTVVDJSXYAW-RUZDIDTESA-N 1 1 488.636 4.864 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000001374320 194108729 /nfs/dbraw/zinc/10/87/29/194108729.db2.gz PTXPONUVPRZGHV-DEOSSOPVSA-N 1 1 460.582 4.750 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(OC)cc1 ZINC000012635628 195067018 /nfs/dbraw/zinc/06/70/18/195067018.db2.gz KVMWPFYRGPMJFO-QHCPKHFHSA-N 1 1 478.662 4.837 40 0 JJABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057589549 195351469 /nfs/dbraw/zinc/35/14/69/195351469.db2.gz LWNXMCIBZNWSGD-RUZDIDTESA-N 1 1 474.584 4.618 40 0 JJABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057589549 195351470 /nfs/dbraw/zinc/35/14/70/195351470.db2.gz LWNXMCIBZNWSGD-RUZDIDTESA-N 1 1 474.584 4.618 40 0 JJABMO CC(=O)OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022576352 519755998 /nfs/dbraw/zinc/75/59/98/519755998.db2.gz VZXRBTTXAUZWBO-UHFFFAOYSA-N 1 1 479.568 4.879 40 0 JJABMO CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)c1 ZINC000016639325 520901303 /nfs/dbraw/zinc/90/13/03/520901303.db2.gz YESCOWAPGMGUCJ-UHFFFAOYSA-N 1 1 475.058 4.788 40 0 JJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020108940 523020419 /nfs/dbraw/zinc/02/04/19/523020419.db2.gz IERQGEFGWLUNBE-IBGZPJMESA-N 1 1 464.031 4.525 40 0 JJABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000020109209 524057885 /nfs/dbraw/zinc/05/78/85/524057885.db2.gz MWSHKCOXZRULNX-UHFFFAOYSA-N 1 1 483.012 4.500 40 0 JJABMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000843639 553794544 /nfs/dbraw/zinc/79/45/44/553794544.db2.gz RGDFFBKUWBZCME-FTJBHMTQSA-N 1 1 452.514 4.816 40 0 JJABMO Cc1cc(C)c2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000874776 553811669 /nfs/dbraw/zinc/81/16/69/553811669.db2.gz MPEJOAJCKVUQHG-UHFFFAOYSA-N 1 1 499.080 4.720 40 0 JJABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000008856570 554752553 /nfs/dbraw/zinc/75/25/53/554752553.db2.gz MOMNTZHQIYJMSS-BURNTYAHSA-N 1 1 468.475 4.836 40 0 JJABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000008856570 554752554 /nfs/dbraw/zinc/75/25/54/554752554.db2.gz MOMNTZHQIYJMSS-BURNTYAHSA-N 1 1 468.475 4.836 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)cc2Cl)CC1 ZINC000008898207 554788715 /nfs/dbraw/zinc/78/87/15/554788715.db2.gz UFFBTHBDZJLWOI-UHFFFAOYSA-N 1 1 495.048 4.798 40 0 JJABMO O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063697 554881614 /nfs/dbraw/zinc/88/16/14/554881614.db2.gz DNPJBMBPORDMAT-UHFFFAOYSA-N 1 1 469.944 4.853 40 0 JJABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000009210263 554979762 /nfs/dbraw/zinc/97/97/62/554979762.db2.gz WQGRVIWHZBNCBU-COFKYPDJSA-N 1 1 452.595 4.627 40 0 JJABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000009210263 554979764 /nfs/dbraw/zinc/97/97/64/554979764.db2.gz WQGRVIWHZBNCBU-COFKYPDJSA-N 1 1 452.595 4.627 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494539 555404951 /nfs/dbraw/zinc/40/49/51/555404951.db2.gz LNHIZRUTPAWACR-DEOSSOPVSA-N 1 1 458.610 4.774 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494539 555404954 /nfs/dbraw/zinc/40/49/54/555404954.db2.gz LNHIZRUTPAWACR-DEOSSOPVSA-N 1 1 458.610 4.774 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498582 555422347 /nfs/dbraw/zinc/42/23/47/555422347.db2.gz SGHZPIBQZLLOBA-VWLOTQADSA-N 1 1 474.609 4.996 40 0 JJABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499328 555430410 /nfs/dbraw/zinc/43/04/10/555430410.db2.gz ILKXFFDDIQXEOY-DEOSSOPVSA-N 1 1 460.582 4.750 40 0 JJABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500108 555436450 /nfs/dbraw/zinc/43/64/50/555436450.db2.gz SKAZZRNLDNHDKR-QHCPKHFHSA-N 1 1 460.582 4.750 40 0 JJABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500194 555437660 /nfs/dbraw/zinc/43/76/60/555437660.db2.gz PEMVRRGHPREMMR-NRFANRHFSA-N 1 1 480.613 4.674 40 0 JJABMO CC(C)[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500685 555442887 /nfs/dbraw/zinc/44/28/87/555442887.db2.gz ZWNDLJFIDRZCPF-DEOSSOPVSA-N 1 1 478.597 4.500 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501108 555447653 /nfs/dbraw/zinc/44/76/53/555447653.db2.gz QPOXAOAWSLTRRQ-RUZDIDTESA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501108 555447655 /nfs/dbraw/zinc/44/76/55/555447655.db2.gz QPOXAOAWSLTRRQ-RUZDIDTESA-N 1 1 486.620 4.776 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501155 555448268 /nfs/dbraw/zinc/44/82/68/555448268.db2.gz NLYGXRRALIKAQK-SANMLTNESA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501155 555448273 /nfs/dbraw/zinc/44/82/73/555448273.db2.gz NLYGXRRALIKAQK-SANMLTNESA-N 1 1 470.621 4.962 40 0 JJABMO Cc1cccc(-c2cc3nc4c(c(N5CC[NH+](Cc6ccc7c(c6)OCO7)CC5)n3n2)CCCC4)c1 ZINC000013562805 555497883 /nfs/dbraw/zinc/49/78/83/555497883.db2.gz QRIKYKMYXVLIGI-UHFFFAOYSA-N 1 1 481.600 4.634 40 0 JJABMO Cc1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000013565782 555502859 /nfs/dbraw/zinc/50/28/59/555502859.db2.gz BNDIWCOLTNBOGF-UHFFFAOYSA-N 1 1 454.640 4.867 40 0 JJABMO O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019937674 555554260 /nfs/dbraw/zinc/55/42/60/555554260.db2.gz DWMLRPGSBIPLFY-UHFFFAOYSA-N 1 1 499.014 4.567 40 0 JJABMO COc1ccc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000020038706 555612495 /nfs/dbraw/zinc/61/24/95/555612495.db2.gz XBKRSEPBZGEVTG-UHFFFAOYSA-N 1 1 462.615 4.730 40 0 JJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2)C1 ZINC000020047697 555617810 /nfs/dbraw/zinc/61/78/10/555617810.db2.gz MARSAWMEJYEHLN-HXUWFJFHSA-N 1 1 463.603 4.972 40 0 JJABMO O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)c(Cl)c1)CC[N@@H+](Cc1ccccc1)C3 ZINC000014162715 555716791 /nfs/dbraw/zinc/71/67/91/555716791.db2.gz NXKHQILDKPQPRJ-UHFFFAOYSA-N 1 1 458.370 4.606 40 0 JJABMO O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)c(Cl)c1)CC[N@H+](Cc1ccccc1)C3 ZINC000014162715 555716794 /nfs/dbraw/zinc/71/67/94/555716794.db2.gz NXKHQILDKPQPRJ-UHFFFAOYSA-N 1 1 458.370 4.606 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000014271803 555767667 /nfs/dbraw/zinc/76/76/67/555767667.db2.gz XQKAPMILWAOJIM-UHFFFAOYSA-N 1 1 457.814 4.525 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000014277221 555785501 /nfs/dbraw/zinc/78/55/01/555785501.db2.gz BYRMHLXCWNLNQJ-XVNBXDOJSA-N 1 1 483.852 4.925 40 0 JJABMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000015080563 555872388 /nfs/dbraw/zinc/87/23/88/555872388.db2.gz DFXPWTHCOHVSOB-QFIPXVFZSA-N 1 1 475.511 4.703 40 0 JJABMO CCc1cc([C@@H](c2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000023292165 556038034 /nfs/dbraw/zinc/03/80/34/556038034.db2.gz VIQIXSZJUDRTPS-RUZDIDTESA-N 1 1 479.646 4.917 40 0 JJABMO COc1ccc([C@H]2Cc3cc(OC)c(OC)cc3[C@@H](c3ccc(OC)c(OC)c3)[NH2+]2)cc1OC ZINC000031795266 556404727 /nfs/dbraw/zinc/40/47/27/556404727.db2.gz HJTUCLGFYSNIMK-NFQMXDRXSA-N 1 1 465.546 4.715 40 0 JJABMO COc1ccc([C@H]2Cc3cc(OC)c(OC)cc3[C@H](c3ccc(OC)c(OC)c3)[NH2+]2)cc1OC ZINC000031795273 556404768 /nfs/dbraw/zinc/40/47/68/556404768.db2.gz HJTUCLGFYSNIMK-HRFSGMKKSA-N 1 1 465.546 4.715 40 0 JJABMO C[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289828 560031572 /nfs/dbraw/zinc/03/15/72/560031572.db2.gz IOLBXDGFPHLKRF-UNCTUWKVSA-N 1 1 459.590 4.715 40 0 biogenic,in-vitro JJABMO C[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289828 560031574 /nfs/dbraw/zinc/03/15/74/560031574.db2.gz IOLBXDGFPHLKRF-UNCTUWKVSA-N 1 1 459.590 4.715 40 0 biogenic,in-vitro JJABMO C[C@@]1(O)CC[N@H+](Cc2ccccc2Cl)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289693 560032112 /nfs/dbraw/zinc/03/21/12/560032112.db2.gz NODOKWJXRJLSRM-KYPHJKQUSA-N 1 1 452.957 4.976 40 0 biogenic,in-vitro JJABMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2Cl)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289693 560032113 /nfs/dbraw/zinc/03/21/13/560032113.db2.gz NODOKWJXRJLSRM-KYPHJKQUSA-N 1 1 452.957 4.976 40 0 biogenic,in-vitro JJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937036 569638460 /nfs/dbraw/zinc/63/84/60/569638460.db2.gz DXRDHHJJYSLTAL-ILBGXUMGSA-N 1 1 478.641 4.596 40 0 JJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937284 569638991 /nfs/dbraw/zinc/63/89/91/569638991.db2.gz YNCQMVVZCYBUEJ-ZEQKJWHPSA-N 1 1 492.668 4.987 40 0 JJABMO CCCCc1[nH+]cc(/C=C(\Cc2cccs2)C(=O)OC)n1Cc1ccc(C(=O)OC)cc1 ZINC000035645158 569705710 /nfs/dbraw/zinc/70/57/10/569705710.db2.gz SIBQTSXZPZMBEB-XSFVSMFZSA-N 1 1 452.576 4.921 40 0 in-vitro JJABMO COc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CC[NH+](C(C)C)CC5)cc43)cs2)cc1 ZINC000096037888 569732413 /nfs/dbraw/zinc/73/24/13/569732413.db2.gz WZCJNODYGFSRNH-UHFFFAOYSA-N 1 1 462.575 4.793 40 0 JJABMO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2Cl)c1 ZINC000037020519 569781153 /nfs/dbraw/zinc/78/11/53/569781153.db2.gz RRCPVKRZYFXNGR-UHFFFAOYSA-N 1 1 478.058 4.754 40 0 JJABMO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851339 569808859 /nfs/dbraw/zinc/80/88/59/569808859.db2.gz FHGBODVDOKNTQV-KRWDZBQOSA-N 1 1 450.385 4.693 40 0 JJABMO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c2ccccc12 ZINC000222625569 569887258 /nfs/dbraw/zinc/88/72/58/569887258.db2.gz NIXCAWFWKBTJPY-UHFFFAOYSA-N 1 1 455.352 4.743 40 0 JJABMO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1Cl ZINC000224773875 569956971 /nfs/dbraw/zinc/95/69/71/569956971.db2.gz FIAKUFSUMJBDMV-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000225716110 570017095 /nfs/dbraw/zinc/01/70/95/570017095.db2.gz GKOMXUHDJSGDDF-RUZDIDTESA-N 1 1 485.694 4.654 40 0 JJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)CC1 ZINC000408831419 570052735 /nfs/dbraw/zinc/05/27/35/570052735.db2.gz NXRLIZNWRLUCMG-UHFFFAOYSA-N 1 1 475.658 4.681 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000253500310 570101363 /nfs/dbraw/zinc/10/13/63/570101363.db2.gz BHUVNVHGOLLKJI-ILBGXUMGSA-N 1 1 494.640 4.647 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCCC3)cc2c1 ZINC000253500552 570102254 /nfs/dbraw/zinc/10/22/54/570102254.db2.gz WDHTVSRQCNPJFB-NOZRDPDXSA-N 1 1 478.641 4.946 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1 ZINC000257208276 570110453 /nfs/dbraw/zinc/11/04/53/570110453.db2.gz BLLFXSROZWTVCF-BVAGGSTKSA-N 1 1 465.981 4.736 40 0 JJABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCn3ccc(C)n3)cc2)CC1 ZINC000257220689 570114265 /nfs/dbraw/zinc/11/42/65/570114265.db2.gz DLSMXDXCHDHWBP-MHZLTWQESA-N 1 1 467.585 4.860 40 0 JJABMO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CCCO2)cc1 ZINC000257233678 570118145 /nfs/dbraw/zinc/11/81/45/570118145.db2.gz GQFDKSINCHNWFK-CCLHPLFOSA-N 1 1 454.586 4.584 40 0 JJABMO Cc1cc(C(F)F)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n1 ZINC000257247546 570122417 /nfs/dbraw/zinc/12/24/17/570122417.db2.gz IZLJJWOAIVVDPX-URZCRDEJSA-N 1 1 456.581 4.604 40 0 JJABMO CC(=O)Nc1cccc(NC(=O)CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000257254786 570124641 /nfs/dbraw/zinc/12/46/41/570124641.db2.gz KERAATMBKCDFSU-RDGATRHJSA-N 1 1 494.636 4.779 40 0 JJABMO C[N@H+]1CCC[C@](CCCc2cnccn2)(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)C1 ZINC000257275416 570131176 /nfs/dbraw/zinc/13/11/76/570131176.db2.gz NPHVFRHGKRHLBF-LJAQVGFWSA-N 1 1 471.649 4.541 40 0 JJABMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc(C)cc(Nc3ccc(F)cn3)n2)CC1 ZINC000257275870 570131421 /nfs/dbraw/zinc/13/14/21/570131421.db2.gz NRILSAGZOXXYMZ-UHFFFAOYSA-N 1 1 462.573 4.752 40 0 JJABMO Cc1ccc(N2C[C@@]3(CCC[N@@H+](Cc4cccc(OCc5ccccn5)c4)CC3)OCC2=O)cc1 ZINC000257290169 570135502 /nfs/dbraw/zinc/13/55/02/570135502.db2.gz QBWFKBUOJBROFG-LJAQVGFWSA-N 1 1 471.601 4.757 40 0 JJABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257290517 570135745 /nfs/dbraw/zinc/13/57/45/570135745.db2.gz QDGHWPUBBMBJPE-XNMGPUDCSA-N 1 1 452.595 4.644 40 0 JJABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257290517 570135746 /nfs/dbraw/zinc/13/57/46/570135746.db2.gz QDGHWPUBBMBJPE-XNMGPUDCSA-N 1 1 452.595 4.644 40 0 JJABMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257300586 570138641 /nfs/dbraw/zinc/13/86/41/570138641.db2.gz RUXCCWMOTLKIDE-HXUWFJFHSA-N 1 1 470.495 4.522 40 0 JJABMO Cc1noc2nc(C)cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@@H+](C)[C@H]4Cc3ccccc3)c12 ZINC000257326455 570146360 /nfs/dbraw/zinc/14/63/60/570146360.db2.gz WXGYJZHMCUWNSO-KGRBZTTASA-N 1 1 458.606 4.928 40 0 JJABMO Cc1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)sc2[nH]cnc(=O)c12 ZINC000257329864 570147514 /nfs/dbraw/zinc/14/75/14/570147514.db2.gz XLVATKQMFCGZNU-OEKBOXOOSA-N 1 1 476.646 4.794 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001325150 194086035 /nfs/dbraw/zinc/08/60/35/194086035.db2.gz BRFANIXVGRFHEN-QFIPXVFZSA-N 1 1 494.640 4.717 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001371127 194105214 /nfs/dbraw/zinc/10/52/14/194105214.db2.gz LVKITAHDFQIKSC-OAQYLSRUSA-N 1 1 450.558 4.802 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001371123 194105226 /nfs/dbraw/zinc/10/52/26/194105226.db2.gz VONVGTCWCAROOC-HSZRJFAPSA-N 1 1 450.558 4.802 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001371590 194105896 /nfs/dbraw/zinc/10/58/96/194105896.db2.gz YRFYGFWBAHDLKJ-QHCPKHFHSA-N 1 1 450.558 4.802 40 0 JJABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3CCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001373295 194107163 /nfs/dbraw/zinc/10/71/63/194107163.db2.gz GECOZJLRUCYNOK-UHFFFAOYSA-N 1 1 470.621 4.709 40 0 JJABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3CCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001373295 194107164 /nfs/dbraw/zinc/10/71/64/194107164.db2.gz GECOZJLRUCYNOK-UHFFFAOYSA-N 1 1 470.621 4.709 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCc1ccccc1 ZINC000012635712 195067346 /nfs/dbraw/zinc/06/73/46/195067346.db2.gz RNLOIINNTWHIOH-VWLOTQADSA-N 1 1 476.690 4.548 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCC[N@H+]3CC)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000012708939 195093872 /nfs/dbraw/zinc/09/38/72/195093872.db2.gz YNVPXPDQOYKASO-QFIPXVFZSA-N 1 1 466.557 4.584 40 0 JJABMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000057464074 195342266 /nfs/dbraw/zinc/34/22/66/195342266.db2.gz YFHSBVRSLHRWAC-HZLPDVBGSA-N 1 1 461.924 4.782 40 0 JJABMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000057464074 195342267 /nfs/dbraw/zinc/34/22/67/195342267.db2.gz YFHSBVRSLHRWAC-HZLPDVBGSA-N 1 1 461.924 4.782 40 0 JJABMO COc1cc2[nH]c(=O)c(CNc3ccc([N@H+](C)C4CCCCC4)cc3)cc2c(OC)c1OC ZINC000057718183 195358120 /nfs/dbraw/zinc/35/81/20/195358120.db2.gz BKUWSJFUPGMWMI-UHFFFAOYSA-N 1 1 451.567 4.935 40 0 JJABMO COc1cc2[nH]c(=O)c(CNc3ccc([N@@H+](C)C4CCCCC4)cc3)cc2c(OC)c1OC ZINC000057718183 195358123 /nfs/dbraw/zinc/35/81/23/195358123.db2.gz BKUWSJFUPGMWMI-UHFFFAOYSA-N 1 1 451.567 4.935 40 0 JJABMO CNc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000020478164 522686032 /nfs/dbraw/zinc/68/60/32/522686032.db2.gz WGKJCUZKQVWPHS-UHFFFAOYSA-N 1 1 455.606 4.585 40 0 JJABMO CNc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000020503119 522686227 /nfs/dbraw/zinc/68/62/27/522686227.db2.gz YMPWMJVTBZJPPQ-QHCPKHFHSA-N 1 1 493.611 4.936 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500652 526096829 /nfs/dbraw/zinc/09/68/29/526096829.db2.gz ZLAPBYUWORMBAJ-RUZDIDTESA-N 1 1 474.609 4.996 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000020457776 527371773 /nfs/dbraw/zinc/37/17/73/527371773.db2.gz KIGZQCVBXDECLB-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000044900375 527372035 /nfs/dbraw/zinc/37/20/35/527372035.db2.gz MOWFOOYKMHZAIM-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000020486318 527374319 /nfs/dbraw/zinc/37/43/19/527374319.db2.gz OGVURBRJESLOQW-MUUNZHRXSA-N 1 1 482.609 4.885 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000044846504 527385446 /nfs/dbraw/zinc/38/54/46/527385446.db2.gz ABLSXBVXWZZGTR-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020482166 527385655 /nfs/dbraw/zinc/38/56/55/527385655.db2.gz QNTZWSSDXIWIGD-GDLZYMKVSA-N 1 1 496.636 4.927 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022519425 527386458 /nfs/dbraw/zinc/38/64/58/527386458.db2.gz NEDAAYCIRKXYCC-UHFFFAOYSA-N 1 1 480.977 4.565 40 0 JJABMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000000843560 553794218 /nfs/dbraw/zinc/79/42/18/553794218.db2.gz SOYIIHBEFSVGGN-RPBOFIJWSA-N 1 1 456.477 4.647 40 0 JJABMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000000843559 553794273 /nfs/dbraw/zinc/79/42/73/553794273.db2.gz SOYIIHBEFSVGGN-DQEYMECFSA-N 1 1 456.477 4.647 40 0 JJABMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1CC1=NCCc2cc(O)c(OC)cc21 ZINC000000898759 553833344 /nfs/dbraw/zinc/83/33/44/553833344.db2.gz NCALAYAMQHIWMN-WSCWJOSJSA-N 1 1 464.606 4.799 40 0 biogenic,in-vitro JJABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006408979 554534686 /nfs/dbraw/zinc/53/46/86/554534686.db2.gz ZICUEJIHHAWJEZ-RUZDIDTESA-N 1 1 470.621 4.622 40 0 JJABMO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)c(=O)[nH]c2c1C ZINC000006442396 554536427 /nfs/dbraw/zinc/53/64/27/554536427.db2.gz SFCXZOVEDHELAD-VWLOTQADSA-N 1 1 456.594 4.534 40 0 JJABMO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)c(=O)[nH]c2c1C ZINC000006442396 554536433 /nfs/dbraw/zinc/53/64/33/554536433.db2.gz SFCXZOVEDHELAD-VWLOTQADSA-N 1 1 456.594 4.534 40 0 JJABMO CCOc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@H]1CCC[N@H+]1CC ZINC000008829030 554719456 /nfs/dbraw/zinc/71/94/56/554719456.db2.gz JIGHTSCVIRSNIU-JOCHJYFZSA-N 1 1 478.662 4.919 40 0 JJABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013498623 555423041 /nfs/dbraw/zinc/42/30/41/555423041.db2.gz GKYSFFQZJSXVTF-HSZRJFAPSA-N 1 1 466.630 4.810 40 0 JJABMO COc1ccc2cc(C[N@@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498746 555424254 /nfs/dbraw/zinc/42/42/54/555424254.db2.gz RSMIXXOBKQHJAY-SANMLTNESA-N 1 1 486.620 4.713 40 0 JJABMO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013498782 555424831 /nfs/dbraw/zinc/42/48/31/555424831.db2.gz LIKGROKFXDJIQG-XMMPIXPASA-N 1 1 494.640 4.573 40 0 JJABMO Cc1cc2cc(C[N@H+]([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000013498904 555425896 /nfs/dbraw/zinc/42/58/96/555425896.db2.gz PGSNHSLHVLPSHU-AZGAKELHSA-N 1 1 492.668 4.842 40 0 JJABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500184 555437811 /nfs/dbraw/zinc/43/78/11/555437811.db2.gz TWRBDNIYCYRWAR-VWLOTQADSA-N 1 1 490.608 4.841 40 0 JJABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500184 555437816 /nfs/dbraw/zinc/43/78/16/555437816.db2.gz TWRBDNIYCYRWAR-VWLOTQADSA-N 1 1 490.608 4.841 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501107 555447781 /nfs/dbraw/zinc/44/77/81/555447781.db2.gz PPTPWRPATWURQK-DEOSSOPVSA-N 1 1 474.584 4.906 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501107 555447782 /nfs/dbraw/zinc/44/77/82/555447782.db2.gz PPTPWRPATWURQK-DEOSSOPVSA-N 1 1 474.584 4.906 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000020111878 555648998 /nfs/dbraw/zinc/64/89/98/555648998.db2.gz OWTOSWGUQFETLF-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO O=C(Cc1ccccc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014277088 555785134 /nfs/dbraw/zinc/78/51/34/555785134.db2.gz SIYVDAVCXKTXLM-UHFFFAOYSA-N 1 1 479.049 4.718 40 0 JJABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Br)c1OCc1ccc(F)cc1 ZINC000022075557 555871175 /nfs/dbraw/zinc/87/11/75/555871175.db2.gz YHLVBJQGXGGAPD-UHFFFAOYSA-N 1 1 453.396 4.997 40 0 JJABMO c1ccc(C(c2ccccc2)[NH+]2CCN([C@@H](c3nnnn3C3CCCC3)c3ccccn3)CC2)cc1 ZINC000022921153 555975208 /nfs/dbraw/zinc/97/52/08/555975208.db2.gz SIWYSFHQVUAXRH-MUUNZHRXSA-N 1 1 479.632 4.680 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064050 556261404 /nfs/dbraw/zinc/26/14/04/556261404.db2.gz PWGDAPQOCRIFNF-SANMLTNESA-N 1 1 486.620 4.834 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064050 556261408 /nfs/dbraw/zinc/26/14/08/556261408.db2.gz PWGDAPQOCRIFNF-SANMLTNESA-N 1 1 486.620 4.834 40 0 JJABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064072 556261539 /nfs/dbraw/zinc/26/15/39/556261539.db2.gz VFEAVQPFTJIGQK-XMMPIXPASA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064072 556261540 /nfs/dbraw/zinc/26/15/40/556261540.db2.gz VFEAVQPFTJIGQK-XMMPIXPASA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064352 556261810 /nfs/dbraw/zinc/26/18/10/556261810.db2.gz JJKPKSHGIFMUDW-SANMLTNESA-N 1 1 486.620 4.662 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064352 556261813 /nfs/dbraw/zinc/26/18/13/556261813.db2.gz JJKPKSHGIFMUDW-SANMLTNESA-N 1 1 486.620 4.662 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064253 556261931 /nfs/dbraw/zinc/26/19/31/556261931.db2.gz WXBSXDNNHKAUPY-XMMPIXPASA-N 1 1 464.614 4.924 40 0 JJABMO COc1ccc([C@H]2[NH2+][C@H](c3ccc(OC)c(OC)c3)Cc3cc(OC)c(OC)cc32)cc1OC ZINC000031795262 556404779 /nfs/dbraw/zinc/40/47/79/556404779.db2.gz HJTUCLGFYSNIMK-CCLHPLFOSA-N 1 1 465.546 4.715 40 0 JJABMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000103222078 560050763 /nfs/dbraw/zinc/05/07/63/560050763.db2.gz MGXWFQMOWOODPK-RZLJKOCPSA-N 1 1 482.621 4.636 40 0 biogenic,in-vitro JJABMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000103222078 560050765 /nfs/dbraw/zinc/05/07/65/560050765.db2.gz MGXWFQMOWOODPK-RZLJKOCPSA-N 1 1 482.621 4.636 40 0 biogenic,in-vitro JJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccccc1F ZINC000059559042 569606740 /nfs/dbraw/zinc/60/67/40/569606740.db2.gz RIJYXUJGEINUNJ-UHFFFAOYSA-N 1 1 483.012 4.928 40 0 JJABMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(c4cc(C)cc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000064163769 569616436 /nfs/dbraw/zinc/61/64/36/569616436.db2.gz NWZOJQQDEHLRJJ-OPGKSTGDSA-N 1 1 491.591 4.626 40 0 JJABMO COc1ccc(/C=C/C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1OC ZINC000034202319 569639674 /nfs/dbraw/zinc/63/96/74/569639674.db2.gz ZCOIDWNIZQWAIU-BMRADRMJSA-N 1 1 472.585 4.659 40 0 JJABMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OCC)cc2)CC1 ZINC000036628326 569779055 /nfs/dbraw/zinc/77/90/55/569779055.db2.gz ZASANKRZBWJLRM-UHFFFAOYSA-N 1 1 469.589 4.935 40 0 JJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000038858068 569808983 /nfs/dbraw/zinc/80/89/83/569808983.db2.gz FYUHZCWSLNHGNL-UHFFFAOYSA-N 1 1 450.586 4.787 40 0 JJABMO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000044871748 569839575 /nfs/dbraw/zinc/83/95/75/569839575.db2.gz WIASIVBVPLOHJZ-UHFFFAOYSA-N 1 1 484.021 4.667 40 0 JJABMO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000044871755 569839588 /nfs/dbraw/zinc/83/95/88/569839588.db2.gz ZQLPEWDZARKNPO-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO CCOc1cc(Br)c(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000108220139 569859092 /nfs/dbraw/zinc/85/90/92/569859092.db2.gz PUKANNSKPLENDA-UHFFFAOYSA-N 1 1 463.441 4.740 40 0 JJABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(Cl)cc1 ZINC000137758634 569865144 /nfs/dbraw/zinc/86/51/44/569865144.db2.gz ZGJHVLZMHFSODS-UHFFFAOYSA-N 1 1 450.966 4.886 40 0 JJABMO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000224548352 569947965 /nfs/dbraw/zinc/94/79/65/569947965.db2.gz BKFLWUFXTOPKPH-UHFFFAOYSA-N 1 1 459.428 4.809 40 0 JJABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224567011 569948766 /nfs/dbraw/zinc/94/87/66/569948766.db2.gz ZWOUENMMOWWWBM-UHFFFAOYSA-N 1 1 450.966 4.681 40 0 JJABMO O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225832768 570023975 /nfs/dbraw/zinc/02/39/75/570023975.db2.gz SABGRCUYDJVXNU-UHFFFAOYSA-N 1 1 452.558 4.681 40 0 JJABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225907045 570027029 /nfs/dbraw/zinc/02/70/29/570027029.db2.gz FFXCHIHBJZLTDQ-SFHVURJKSA-N 1 1 490.460 4.899 40 0 JJABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225907045 570027031 /nfs/dbraw/zinc/02/70/31/570027031.db2.gz FFXCHIHBJZLTDQ-SFHVURJKSA-N 1 1 490.460 4.899 40 0 JJABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225910082 570027251 /nfs/dbraw/zinc/02/72/51/570027251.db2.gz FMWYIUJSLRGDKA-KRWDZBQOSA-N 1 1 490.460 4.899 40 0 JJABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225910082 570027252 /nfs/dbraw/zinc/02/72/52/570027252.db2.gz FMWYIUJSLRGDKA-KRWDZBQOSA-N 1 1 490.460 4.899 40 0 JJABMO Cc1ccc(SCCNC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000408825012 570052368 /nfs/dbraw/zinc/05/23/68/570052368.db2.gz CHQZIXIPOHKZEP-UHFFFAOYSA-N 1 1 459.659 4.835 40 0 JJABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCCCc3ccccn3)n2)o1 ZINC000247942357 570071344 /nfs/dbraw/zinc/07/13/44/570071344.db2.gz VGIJWLHFZNLOAY-DNQXCXABSA-N 1 1 469.589 4.907 40 0 JJABMO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+]([C@H](C)Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000252311116 570079984 /nfs/dbraw/zinc/07/99/84/570079984.db2.gz SFSYYUGLFPFHKN-WBVHZDCISA-N 1 1 462.516 4.748 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408985159 570092097 /nfs/dbraw/zinc/09/20/97/570092097.db2.gz AAQKJJBLQOGLAX-XMMPIXPASA-N 1 1 497.617 4.530 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408994064 570095000 /nfs/dbraw/zinc/09/50/00/570095000.db2.gz YFRRVZXFFXMLQG-DEOSSOPVSA-N 1 1 497.617 4.530 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3C[C@H]3CCCO3)C3CCCC3)cc2c1 ZINC000253500316 570101360 /nfs/dbraw/zinc/10/13/60/570101360.db2.gz BLHWHKLADGXHMY-ISKFKSNPSA-N 1 1 464.614 4.564 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C[C@H]3CCCO3)C3CCCC3)cc2c1 ZINC000253500316 570101361 /nfs/dbraw/zinc/10/13/61/570101361.db2.gz BLHWHKLADGXHMY-ISKFKSNPSA-N 1 1 464.614 4.564 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCCC3)cc2c1 ZINC000253500551 570102272 /nfs/dbraw/zinc/10/22/72/570102272.db2.gz WDHTVSRQCNPJFB-ILBGXUMGSA-N 1 1 478.641 4.946 40 0 JJABMO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000257214961 570112579 /nfs/dbraw/zinc/11/25/79/570112579.db2.gz COCFNKCNUNNLRP-UHFFFAOYSA-N 1 1 461.581 4.931 40 0 JJABMO Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@@H+](CCCc3ccccc3)C2)ccc1Cl ZINC000257218625 570113778 /nfs/dbraw/zinc/11/37/78/570113778.db2.gz DDVICEPPMCBUDJ-GDLZYMKVSA-N 1 1 498.111 4.906 40 0 JJABMO Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000257226044 570115988 /nfs/dbraw/zinc/11/59/88/570115988.db2.gz FIXGERZGUYYKJN-IBGZPJMESA-N 1 1 488.510 4.732 40 0 JJABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3ccc(F)cc3F)C2)ccc1Cl ZINC000257235149 570118711 /nfs/dbraw/zinc/11/87/11/570118711.db2.gz GWQVCJWGMGLKIP-SANMLTNESA-N 1 1 492.994 4.837 40 0 JJABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3ccc(F)cc3F)C2)ccc1Cl ZINC000257235149 570118712 /nfs/dbraw/zinc/11/87/12/570118712.db2.gz GWQVCJWGMGLKIP-SANMLTNESA-N 1 1 492.994 4.837 40 0 JJABMO COc1cc(C[N@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OCCn1cccn1 ZINC000257240072 570120227 /nfs/dbraw/zinc/12/02/27/570120227.db2.gz HRXXGWMLHXJJPJ-HHHXNRCGSA-N 1 1 483.584 4.560 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccc(F)cc3)C2)c1 ZINC000257256495 570125030 /nfs/dbraw/zinc/12/50/30/570125030.db2.gz KLSKSSTZBBUWHP-QFIPXVFZSA-N 1 1 471.536 4.981 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc3[nH]ccc3c2)C1 ZINC000257268914 570129244 /nfs/dbraw/zinc/12/92/44/570129244.db2.gz MNTPRYPINJQNKJ-KAYWLYCHSA-N 1 1 455.558 4.552 40 0 JJABMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@]12CCCCC(=O)N2 ZINC000257285662 570134357 /nfs/dbraw/zinc/13/43/57/570134357.db2.gz PIEAWQMWILUGPV-LITSAYRRSA-N 1 1 471.601 4.698 40 0 JJABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257290515 570135741 /nfs/dbraw/zinc/13/57/41/570135741.db2.gz QDGHWPUBBMBJPE-BDYUSTAISA-N 1 1 452.595 4.644 40 0 JJABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257290515 570135742 /nfs/dbraw/zinc/13/57/42/570135742.db2.gz QDGHWPUBBMBJPE-BDYUSTAISA-N 1 1 452.595 4.644 40 0 JJABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](CC(=O)NC(c3ccccc3)c3ccccc3)[C@H]1CCCC(=O)N2 ZINC000257292265 570136266 /nfs/dbraw/zinc/13/62/66/570136266.db2.gz QKSMIJKGWDUGPW-UFRMOSHKSA-N 1 1 481.640 4.637 40 0 JJABMO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2)C[N@H+]3Cc2ccccc2)o1 ZINC000257293623 570136574 /nfs/dbraw/zinc/13/65/74/570136574.db2.gz QQKGEOSTRXTHNZ-TWJOJJKGSA-N 1 1 461.581 4.611 40 0 JJABMO Cc1ccc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)s1 ZINC000257300249 570138536 /nfs/dbraw/zinc/13/85/36/570138536.db2.gz RTPYMZQTBUONCZ-RUZDIDTESA-N 1 1 477.070 4.928 40 0 JJABMO Cc1ccccc1C[N@@H+](CCc1c[nH]c2ccccc12)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000257301602 570138907 /nfs/dbraw/zinc/13/89/07/570138907.db2.gz RZCFKQGOTBCWSX-VMPREFPWSA-N 1 1 483.612 4.903 40 0 JJABMO Cc1ccsc1C[N@@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257303213 570139319 /nfs/dbraw/zinc/13/93/19/570139319.db2.gz SGFSPUCNTCNOBZ-DEOSSOPVSA-N 1 1 463.043 4.763 40 0 JJABMO Cc1ccsc1C[N@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257303213 570139321 /nfs/dbraw/zinc/13/93/21/570139321.db2.gz SGFSPUCNTCNOBZ-DEOSSOPVSA-N 1 1 463.043 4.763 40 0 JJABMO COc1ccc(NC(C)=O)c(NC(=O)CN2CCCCC[C@@H]3[N@@H+](C)[C@H](c4ccccc4)C[C@@]32C)c1 ZINC000257323126 570145557 /nfs/dbraw/zinc/14/55/57/570145557.db2.gz WIVYSXYMUNEMOS-NSVAZKTRSA-N 1 1 478.637 4.672 40 0 JJABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000257326586 570146497 /nfs/dbraw/zinc/14/64/97/570146497.db2.gz WXTLZCJEQFILLK-TXSDBGRSSA-N 1 1 471.645 4.508 40 0 JJABMO C[N@@H+](CCc1ccccc1)[C@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000257328993 570147173 /nfs/dbraw/zinc/14/71/73/570147173.db2.gz XHYILFQYBFUMSA-MYDTUXCISA-N 1 1 494.554 4.654 40 0 JJABMO CC(=O)N1CC[N@H+](CC(=O)N(c2ccccc2)c2ccccc2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257329962 570147498 /nfs/dbraw/zinc/14/74/98/570147498.db2.gz XMFGKKFTGKFXDB-RUZDIDTESA-N 1 1 492.623 4.923 40 0 JJABMO CC(=O)N1CC[N@@H+](CC(=O)N(c2ccccc2)c2ccccc2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257329962 570147499 /nfs/dbraw/zinc/14/74/99/570147499.db2.gz XMFGKKFTGKFXDB-RUZDIDTESA-N 1 1 492.623 4.923 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)c1 ZINC000257335571 570149120 /nfs/dbraw/zinc/14/91/20/570149120.db2.gz YKUCAQOATAAXEP-FTJBHMTQSA-N 1 1 474.580 4.565 40 0 JJABMO Cc1cc(C[C@H]2CCC[C@@H]3C[N@@H+](CC(=O)Nc4ccc(Oc5cccnc5)cc4)C[C@@H]32)ncn1 ZINC000257344275 570151757 /nfs/dbraw/zinc/15/17/57/570151757.db2.gz ZWJKSEOBMBWPRR-IPVFLDMMSA-N 1 1 457.578 4.502 40 0 JJABMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1OC ZINC000000843621 193923748 /nfs/dbraw/zinc/92/37/48/193923748.db2.gz CRPWIJSUYRXLER-CLJLJLNGSA-N 1 1 452.514 4.816 40 0 JJABMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 ZINC000000885024 193947746 /nfs/dbraw/zinc/94/77/46/193947746.db2.gz OXGUMEVKXZOURG-UHFFFAOYSA-N 1 1 492.689 4.683 40 0 JJABMO CCOc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000012635503 195067026 /nfs/dbraw/zinc/06/70/26/195067026.db2.gz ZOAHGMPJFSYMJD-HSZRJFAPSA-N 1 1 478.662 4.919 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000012707782 195093151 /nfs/dbraw/zinc/09/31/51/195093151.db2.gz JCQCMAIMUIQNOV-NRFANRHFSA-N 1 1 468.985 4.709 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCC[N@H+]3CC)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000012708946 195093951 /nfs/dbraw/zinc/09/39/51/195093951.db2.gz YNVPXPDQOYKASO-JOCHJYFZSA-N 1 1 466.557 4.584 40 0 JJABMO O=C(CCc1nc(-c2ccccc2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021898680 195328870 /nfs/dbraw/zinc/32/88/70/195328870.db2.gz SOYLSTJRXFRGHL-UHFFFAOYSA-N 1 1 452.558 4.603 40 0 JJABMO COc1cccc(CNc2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3c3ccc(C)o3)cc(=O)[nH]2)c1 ZINC000057773507 195359717 /nfs/dbraw/zinc/35/97/17/195359717.db2.gz ZVLBSDXVCASQTD-ZEQRLZLVSA-N 1 1 470.573 4.675 40 0 JJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1OC ZINC000057774382 195359750 /nfs/dbraw/zinc/35/97/50/195359750.db2.gz QMCWWSIWHWTGHS-LVXARBLLSA-N 1 1 463.553 4.621 40 0 JJABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+](Cc4ccc(Oc5ncccn5)cc4)C3)cc2n1 ZINC000057774655 195360173 /nfs/dbraw/zinc/36/01/73/195360173.db2.gz XKXNSAKKDMFUMS-QGZVFWFLSA-N 1 1 468.483 4.882 40 0 JJABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+]([C@@H](C)Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000057774665 195360186 /nfs/dbraw/zinc/36/01/86/195360186.db2.gz SFSYYUGLFPFHKN-DOTOQJQBSA-N 1 1 462.516 4.748 40 0 JJABMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000102813239 130314791 /nfs/dbraw/zinc/31/47/91/130314791.db2.gz SWUSAVNHNHUGGN-MVNQZMKCSA-N 1 1 452.595 4.627 40 0 JJABMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000102813239 130314794 /nfs/dbraw/zinc/31/47/94/130314794.db2.gz SWUSAVNHNHUGGN-MVNQZMKCSA-N 1 1 452.595 4.627 40 0 JJABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cccc3ccccc32)CC1 ZINC000016681513 521696912 /nfs/dbraw/zinc/69/69/12/521696912.db2.gz TUICMACVXQQQCC-UHFFFAOYSA-N 1 1 453.011 4.762 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501206 522981443 /nfs/dbraw/zinc/98/14/43/522981443.db2.gz MDULJEMFACCAQB-OAQYLSRUSA-N 1 1 480.613 4.674 40 0 JJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)C1 ZINC000020489140 524233052 /nfs/dbraw/zinc/23/30/52/524233052.db2.gz JNOPFPDIJIYVRL-OAQYLSRUSA-N 1 1 469.651 4.736 40 0 JJABMO Cc1ccc(C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807483 526241570 /nfs/dbraw/zinc/24/15/70/526241570.db2.gz TXYVFFUIEMPVJQ-YQHHHJOQSA-N 1 1 497.982 4.663 40 0 JJABMO Cc1ccc(C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807483 526241574 /nfs/dbraw/zinc/24/15/74/526241574.db2.gz TXYVFFUIEMPVJQ-YQHHHJOQSA-N 1 1 497.982 4.663 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000020451033 527374856 /nfs/dbraw/zinc/37/48/56/527374856.db2.gz XEHBCAMHKCVRMZ-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020458287 527385698 /nfs/dbraw/zinc/38/56/98/527385698.db2.gz GKXODIIYCPFJTB-UHFFFAOYSA-N 1 1 495.004 4.589 40 0 JJABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000875540 553812699 /nfs/dbraw/zinc/81/26/99/553812699.db2.gz PLDBMGIWUUAVAQ-UHFFFAOYSA-N 1 1 499.080 4.720 40 0 JJABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C ZINC000000878897 553814824 /nfs/dbraw/zinc/81/48/24/553814824.db2.gz BYLCNIQPYCELPA-UHFFFAOYSA-N 1 1 499.080 4.720 40 0 JJABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013498655 555423407 /nfs/dbraw/zinc/42/34/07/555423407.db2.gz WCMKYUBFKMSNTN-SANMLTNESA-N 1 1 486.620 4.713 40 0 JJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499485 555432335 /nfs/dbraw/zinc/43/23/35/555432335.db2.gz MWXRTWVZRPSMNC-UKILVPOCSA-N 1 1 478.641 4.596 40 0 JJABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500198 555437799 /nfs/dbraw/zinc/43/77/99/555437799.db2.gz WAROKDXYIGPJSE-NRFANRHFSA-N 1 1 480.613 4.674 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)cc2c1 ZINC000013500636 555442180 /nfs/dbraw/zinc/44/21/80/555442180.db2.gz DUQKXWSMFKLKIL-XMMPIXPASA-N 1 1 460.582 4.606 40 0 JJABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500682 555442582 /nfs/dbraw/zinc/44/25/82/555442582.db2.gz SPDFXDUBNGYSFE-HSZRJFAPSA-N 1 1 480.613 4.530 40 0 JJABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500683 555442603 /nfs/dbraw/zinc/44/26/03/555442603.db2.gz SPDFXDUBNGYSFE-QHCPKHFHSA-N 1 1 480.613 4.530 40 0 JJABMO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023288674 556037973 /nfs/dbraw/zinc/03/79/73/556037973.db2.gz KXWVHWYVHQLTNT-AREMUKBSSA-N 1 1 451.010 4.625 40 0 JJABMO COc1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccccc3OC)nn2C)cc1 ZINC000012602834 556090931 /nfs/dbraw/zinc/09/09/31/556090931.db2.gz VOHRYEKMIGUKHW-NOXFTYBFSA-N 1 1 476.577 4.531 40 0 biogenic,in-vitro JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064331 556261869 /nfs/dbraw/zinc/26/18/69/556261869.db2.gz AQWDPTZYVUKDPQ-RUZDIDTESA-N 1 1 490.583 4.607 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064331 556261870 /nfs/dbraw/zinc/26/18/70/556261870.db2.gz AQWDPTZYVUKDPQ-RUZDIDTESA-N 1 1 490.583 4.607 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064351 556261873 /nfs/dbraw/zinc/26/18/73/556261873.db2.gz JJKPKSHGIFMUDW-AREMUKBSSA-N 1 1 486.620 4.662 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064351 556261875 /nfs/dbraw/zinc/26/18/75/556261875.db2.gz JJKPKSHGIFMUDW-AREMUKBSSA-N 1 1 486.620 4.662 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064496 556261904 /nfs/dbraw/zinc/26/19/04/556261904.db2.gz VUQUISMNEHWUDQ-OAQYLSRUSA-N 1 1 482.629 4.573 40 0 JJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064496 556261905 /nfs/dbraw/zinc/26/19/05/556261905.db2.gz VUQUISMNEHWUDQ-OAQYLSRUSA-N 1 1 482.629 4.573 40 0 JJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064862 556263313 /nfs/dbraw/zinc/26/33/13/556263313.db2.gz BPNRXOXVHNOBGE-WIOPSUGQSA-N 1 1 478.641 4.596 40 0 JJABMO O=C(c1ccco1)N1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000027498817 556281041 /nfs/dbraw/zinc/28/10/41/556281041.db2.gz MJYRRGDDYFSKQK-SFHVURJKSA-N 1 1 472.372 4.513 40 0 JJABMO CN(Cc1nc(C2(O)CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cs1)Cc1cccnc1 ZINC000225476190 560043012 /nfs/dbraw/zinc/04/30/12/560043012.db2.gz CRWAQUZELROBON-UHFFFAOYSA-N 1 1 476.568 4.673 40 0 biogenic,in-vitro JJABMO CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(c3ccccc3)C=C(c3ccccc3)[N@H+](C)CCN12 ZINC000008665814 562948734 /nfs/dbraw/zinc/94/87/34/562948734.db2.gz RMCQZPKWOCRAEJ-GDLZYMKVSA-N 1 1 466.585 4.833 40 0 JJABMO CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(c3ccccc3)C=C(c3ccccc3)[N@@H+](C)CCN12 ZINC000008665814 562948735 /nfs/dbraw/zinc/94/87/35/562948735.db2.gz RMCQZPKWOCRAEJ-GDLZYMKVSA-N 1 1 466.585 4.833 40 0 JJABMO COc1cc([C@@H]2c3cc4c(cc3O[C@]3([NH+]5CCCC5)CCC[C@H]23)OCO4)cc(OC)c1OC ZINC000054959703 569590349 /nfs/dbraw/zinc/59/03/49/569590349.db2.gz PQIBCMUEYYLERP-DETVKUJNSA-N 1 1 453.535 4.558 40 0 JJABMO CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccc(C)cc1 ZINC000059488058 569605483 /nfs/dbraw/zinc/60/54/83/569605483.db2.gz YGZRLJSVOBAJOE-UHFFFAOYSA-N 1 1 477.586 4.617 40 0 JJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cccc(Cl)c1 ZINC000059559054 569606744 /nfs/dbraw/zinc/60/67/44/569606744.db2.gz FMBXGOIXXYCMLD-UHFFFAOYSA-N 1 1 483.012 4.928 40 0 JJABMO Cc1ccc(C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4cc(C)cc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000064163772 569616400 /nfs/dbraw/zinc/61/64/00/569616400.db2.gz NWZOJQQDEHLRJJ-BUXYKGQHSA-N 1 1 491.591 4.626 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000033937275 569638804 /nfs/dbraw/zinc/63/88/04/569638804.db2.gz NYUGHFWAKWNBSD-RSXGOPAZSA-N 1 1 492.668 4.987 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000033937305 569638864 /nfs/dbraw/zinc/63/88/64/569638864.db2.gz JIYSWNSIUPXFNL-RPWUZVMVSA-N 1 1 478.641 4.678 40 0 JJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038753873 569806691 /nfs/dbraw/zinc/80/66/91/569806691.db2.gz FOSORTMWKCWIHT-IBGZPJMESA-N 1 1 464.031 4.525 40 0 JJABMO CCOc1ccc(Cl)cc1S(=O)(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000223005918 569896689 /nfs/dbraw/zinc/89/66/89/569896689.db2.gz FLHGKGIAHSYBEQ-UHFFFAOYSA-N 1 1 454.379 4.721 40 0 JJABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224733504 569955320 /nfs/dbraw/zinc/95/53/20/569955320.db2.gz DOPAWYNJTFGOAP-UHFFFAOYSA-N 1 1 450.966 4.681 40 0 JJABMO O=C(NCC1(c2ccccc2)CCOCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000225356570 569992705 /nfs/dbraw/zinc/99/27/05/569992705.db2.gz WUWXWYOBLSLOFM-UHFFFAOYSA-N 1 1 471.439 4.526 40 0 JJABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCOCC3)cc2)C1 ZINC000225571600 570006561 /nfs/dbraw/zinc/00/65/61/570006561.db2.gz IJFKFCOQJHXNNE-OYRHEFFESA-N 1 1 454.586 4.869 40 0 JJABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCOCC2)cc1 ZINC000225584313 570007544 /nfs/dbraw/zinc/00/75/44/570007544.db2.gz TUPPCVDAKCXHFM-SZPZYZBQSA-N 1 1 466.622 4.739 40 0 JJABMO O=C(NCc1nc(-c2ccccc2Cl)no1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589778 570008042 /nfs/dbraw/zinc/00/80/42/570008042.db2.gz MONXUUZAXGFUFJ-UHFFFAOYSA-N 1 1 463.340 4.711 40 0 JJABMO O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225590390 570008146 /nfs/dbraw/zinc/00/81/46/570008146.db2.gz QSVRANUKNOHBFI-UHFFFAOYSA-N 1 1 463.340 4.711 40 0 JJABMO COc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc(OC)c1OC ZINC000225906655 570026967 /nfs/dbraw/zinc/02/69/67/570026967.db2.gz COXDKDYYWQWMCM-GOSISDBHSA-N 1 1 481.420 4.890 40 0 JJABMO O=C(c1cc2cccc(Cl)c2oc1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000226040346 570033764 /nfs/dbraw/zinc/03/37/64/570033764.db2.gz HBYWXWPEHCFIKJ-UHFFFAOYSA-N 1 1 458.945 4.994 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408985157 570092106 /nfs/dbraw/zinc/09/21/06/570092106.db2.gz AAQKJJBLQOGLAX-DEOSSOPVSA-N 1 1 497.617 4.530 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408985834 570092189 /nfs/dbraw/zinc/09/21/89/570092189.db2.gz BEBZIWVYGLKGTK-QFIPXVFZSA-N 1 1 488.009 4.948 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408985832 570092195 /nfs/dbraw/zinc/09/21/95/570092195.db2.gz BEBZIWVYGLKGTK-JOCHJYFZSA-N 1 1 488.009 4.948 40 0 JJABMO C=C1[NH+]=C(SCc2cccc(F)c2)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408992950 570094570 /nfs/dbraw/zinc/09/45/70/570094570.db2.gz VERZYIMDCXDXJX-NRFANRHFSA-N 1 1 474.554 4.622 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000253500370 570101539 /nfs/dbraw/zinc/10/15/39/570101539.db2.gz IAHAHKQNCYDOBU-VWNXMTODSA-N 1 1 464.614 4.556 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C[C@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000253500597 570102239 /nfs/dbraw/zinc/10/22/39/570102239.db2.gz XWPKXZJYYWRRHC-NOZRDPDXSA-N 1 1 478.641 4.954 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000253500615 570102340 /nfs/dbraw/zinc/10/23/40/570102340.db2.gz YKUFYAJXDLKIAY-VWNXMTODSA-N 1 1 464.614 4.556 40 0 JJABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257208560 570110578 /nfs/dbraw/zinc/11/05/78/570110578.db2.gz BMQSPXPLDFTIJE-WXVAWEFUSA-N 1 1 463.528 4.577 40 0 JJABMO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CCOCC2)c1 ZINC000257217784 570113491 /nfs/dbraw/zinc/11/34/91/570113491.db2.gz DAPBQWOUNUPFDN-NRFANRHFSA-N 1 1 468.613 4.831 40 0 JJABMO Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCC[N@@H+](CCCc3ccccc3)C2)ccc1Cl ZINC000257218626 570113792 /nfs/dbraw/zinc/11/37/92/570113792.db2.gz DDVICEPPMCBUDJ-LJAQVGFWSA-N 1 1 498.111 4.906 40 0 JJABMO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccc(F)cc1 ZINC000257225940 570115901 /nfs/dbraw/zinc/11/59/01/570115901.db2.gz FIMOPKYEFGCJIG-HXUWFJFHSA-N 1 1 455.961 4.896 40 0 JJABMO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccc(F)cc1 ZINC000257225940 570115902 /nfs/dbraw/zinc/11/59/02/570115902.db2.gz FIMOPKYEFGCJIG-HXUWFJFHSA-N 1 1 455.961 4.896 40 0 JJABMO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCC[N@H+]3CCCC[C@H]3C)CCCO2)cc1 ZINC000257233680 570118191 /nfs/dbraw/zinc/11/81/91/570118191.db2.gz GQFDKSINCHNWFK-HRFSGMKKSA-N 1 1 454.586 4.584 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(F)cc2)Cc2cccc(Cl)c2)C1 ZINC000257237035 570119196 /nfs/dbraw/zinc/11/91/96/570119196.db2.gz HEXODYHKAFCEFV-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2cccc(Cl)c2)C1 ZINC000257237035 570119198 /nfs/dbraw/zinc/11/91/98/570119198.db2.gz HEXODYHKAFCEFV-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO COc1cc(C[N@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OCCn1cccn1 ZINC000257240073 570120292 /nfs/dbraw/zinc/12/02/92/570120292.db2.gz HRXXGWMLHXJJPJ-MHZLTWQESA-N 1 1 483.584 4.560 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cccc3[nH]ccc32)C1 ZINC000257247469 570122316 /nfs/dbraw/zinc/12/23/16/570122316.db2.gz IZDCANHBJCIKCM-KAYWLYCHSA-N 1 1 455.558 4.552 40 0 JJABMO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccc(F)cc1 ZINC000257247267 570122360 /nfs/dbraw/zinc/12/23/60/570122360.db2.gz IYFBWACVGGJBLD-HXUWFJFHSA-N 1 1 455.961 4.896 40 0 JJABMO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccc(F)cc1 ZINC000257247267 570122362 /nfs/dbraw/zinc/12/23/62/570122362.db2.gz IYFBWACVGGJBLD-HXUWFJFHSA-N 1 1 455.961 4.896 40 0 JJABMO CCCc1ccc(OCc2ccccc2)c(CN2CC[C@H](O)[C@@H]([N@@H+](C)C3CCOCC3)CC2)c1 ZINC000257254660 570124686 /nfs/dbraw/zinc/12/46/86/570124686.db2.gz KEDNBHYHMQWMQU-NSOVKSMOSA-N 1 1 466.666 4.654 40 0 JJABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2ccc3cc[nH]c3c2)CCO1)N1CCCCC1 ZINC000257277516 570131903 /nfs/dbraw/zinc/13/19/03/570131903.db2.gz NYGMXCDITUZFOF-HHHXNRCGSA-N 1 1 482.024 4.874 40 0 JJABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2ccc3cc[nH]c3c2)CCO1)N1CCCCC1 ZINC000257277516 570131904 /nfs/dbraw/zinc/13/19/04/570131904.db2.gz NYGMXCDITUZFOF-HHHXNRCGSA-N 1 1 482.024 4.874 40 0 JJABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257290516 570135695 /nfs/dbraw/zinc/13/56/95/570135695.db2.gz QDGHWPUBBMBJPE-VPUSJEBWSA-N 1 1 452.595 4.644 40 0 JJABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257290516 570135696 /nfs/dbraw/zinc/13/56/96/570135696.db2.gz QDGHWPUBBMBJPE-VPUSJEBWSA-N 1 1 452.595 4.644 40 0 JJABMO Cc1ccccc1C[N@H+](C)[C@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000257310640 570141545 /nfs/dbraw/zinc/14/15/45/570141545.db2.gz UFYFNAUIKJSKBE-MYDTUXCISA-N 1 1 494.554 4.920 40 0 JJABMO COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)C[N@H+](C)Cc3ccc(F)cc3)o2)c1 ZINC000257327951 570146989 /nfs/dbraw/zinc/14/69/89/570146989.db2.gz XDMSBGZJRLSVGI-XMMPIXPASA-N 1 1 451.542 4.599 40 0 JJABMO COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)C[N@@H+](C)Cc3ccc(F)cc3)o2)c1 ZINC000257327951 570146990 /nfs/dbraw/zinc/14/69/90/570146990.db2.gz XDMSBGZJRLSVGI-XMMPIXPASA-N 1 1 451.542 4.599 40 0 JJABMO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000257331484 570147940 /nfs/dbraw/zinc/14/79/40/570147940.db2.gz XTBBFDDRIZMPFM-ZONZVBGPSA-N 1 1 459.565 4.636 40 0 JJABMO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCC[N@@H+](C)C3CCCCC3)CCCO2)c1 ZINC000257337955 570149830 /nfs/dbraw/zinc/14/98/30/570149830.db2.gz YVFOSOHLOPNVAI-MUUNZHRXSA-N 1 1 450.623 4.835 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)C1 ZINC000257343219 570151249 /nfs/dbraw/zinc/15/12/49/570151249.db2.gz ZRYNXGFXVDLZLL-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)C1 ZINC000257343219 570151250 /nfs/dbraw/zinc/15/12/50/570151250.db2.gz ZRYNXGFXVDLZLL-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c(C)c1 ZINC000000885026 193947660 /nfs/dbraw/zinc/94/76/60/193947660.db2.gz ZNIPCLNUTSDNMZ-UHFFFAOYSA-N 1 1 492.689 4.683 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375648 194110158 /nfs/dbraw/zinc/11/01/58/194110158.db2.gz CXFUQAPEVRBBJQ-AREMUKBSSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375648 194110160 /nfs/dbraw/zinc/11/01/60/194110160.db2.gz CXFUQAPEVRBBJQ-AREMUKBSSA-N 1 1 496.615 4.969 40 0 JJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000001374321 194108850 /nfs/dbraw/zinc/10/88/50/194108850.db2.gz PTXPONUVPRZGHV-XMMPIXPASA-N 1 1 460.582 4.750 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000001374647 194109036 /nfs/dbraw/zinc/10/90/36/194109036.db2.gz JGMIGJXVTXUYOC-QFIPXVFZSA-N 1 1 452.603 4.564 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000001374647 194109037 /nfs/dbraw/zinc/10/90/37/194109037.db2.gz JGMIGJXVTXUYOC-QFIPXVFZSA-N 1 1 452.603 4.564 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374920 194109386 /nfs/dbraw/zinc/10/93/86/194109386.db2.gz OSXQDDGUIMNJGH-QFIPXVFZSA-N 1 1 496.656 4.963 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cccc(OC)c1 ZINC000012635643 195067313 /nfs/dbraw/zinc/06/73/13/195067313.db2.gz LLJJVIIYTKJCDV-HSZRJFAPSA-N 1 1 478.662 4.837 40 0 JJABMO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+]([C@@H](C)Cc4ccc(OC)c(OC)c4)C3)cc2n1 ZINC000057774668 195360347 /nfs/dbraw/zinc/36/03/47/195360347.db2.gz SFSYYUGLFPFHKN-RDJZCZTQSA-N 1 1 462.516 4.748 40 0 JJABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000020503526 519708065 /nfs/dbraw/zinc/70/80/65/519708065.db2.gz LMLIHLWBAYQHCS-SIKLNZKXSA-N 1 1 453.542 4.839 40 0 biogenic,in-vitro JJABMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cc(Br)ccc3OC)cc2Cl)CC1 ZINC000016681517 521698559 /nfs/dbraw/zinc/69/85/59/521698559.db2.gz GJUSEWIXQIBLRD-RUDMXATFSA-N 1 1 478.818 4.905 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000016681582 521698886 /nfs/dbraw/zinc/69/88/86/521698886.db2.gz BIEDOTDONRYPBA-UHFFFAOYSA-N 1 1 453.011 4.762 40 0 JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC000016681564 521699393 /nfs/dbraw/zinc/69/93/93/521699393.db2.gz AJSUEARSECLJIB-UHFFFAOYSA-N 1 1 471.841 4.916 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020459716 527373476 /nfs/dbraw/zinc/37/34/76/527373476.db2.gz GESQTGJGXDQHHS-UHFFFAOYSA-N 1 1 495.004 4.873 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000022511177 527385560 /nfs/dbraw/zinc/38/55/60/527385560.db2.gz GIHCAHCWDRQWKK-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3C)cc2c1 ZINC000000885017 553823743 /nfs/dbraw/zinc/82/37/43/553823743.db2.gz BRIMAUPBSMFBEP-UHFFFAOYSA-N 1 1 492.689 4.629 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3c(C)ccc(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927054 553863752 /nfs/dbraw/zinc/86/37/52/553863752.db2.gz CGGXSFTZYVYRKQ-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3c(C)ccc(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927054 553863753 /nfs/dbraw/zinc/86/37/53/553863753.db2.gz CGGXSFTZYVYRKQ-UHFFFAOYSA-N 1 1 486.620 4.523 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)cc2c1 ZINC000000927992 553865253 /nfs/dbraw/zinc/86/52/53/553865253.db2.gz GTRXEZXIXMXAIZ-UHFFFAOYSA-N 1 1 464.614 4.753 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)cc2c1 ZINC000000927992 553865254 /nfs/dbraw/zinc/86/52/54/553865254.db2.gz GTRXEZXIXMXAIZ-UHFFFAOYSA-N 1 1 464.614 4.753 40 0 JJABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282878 554525903 /nfs/dbraw/zinc/52/59/03/554525903.db2.gz UMIOEPWXIWADJZ-SANMLTNESA-N 1 1 498.631 4.707 40 0 JJABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282878 554525905 /nfs/dbraw/zinc/52/59/05/554525905.db2.gz UMIOEPWXIWADJZ-SANMLTNESA-N 1 1 498.631 4.707 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000013494596 555405532 /nfs/dbraw/zinc/40/55/32/555405532.db2.gz ZBOPPWUNNDLRNI-HSZRJFAPSA-N 1 1 466.630 4.954 40 0 JJABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013498656 555423354 /nfs/dbraw/zinc/42/33/54/555423354.db2.gz WCMKYUBFKMSNTN-AREMUKBSSA-N 1 1 486.620 4.713 40 0 JJABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013499048 555427591 /nfs/dbraw/zinc/42/75/91/555427591.db2.gz YUGXOPUKUJDEAS-JYFHCDHNSA-N 1 1 492.668 4.842 40 0 JJABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499094 555428084 /nfs/dbraw/zinc/42/80/84/555428084.db2.gz QLMMGPXQJQYFQX-RUZDIDTESA-N 1 1 474.609 4.915 40 0 JJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500069 555436038 /nfs/dbraw/zinc/43/60/38/555436038.db2.gz JAXYRMNIPTUFFH-BJKOFHAPSA-N 1 1 478.641 4.596 40 0 JJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500650 555442576 /nfs/dbraw/zinc/44/25/76/555442576.db2.gz WDHTVSRQCNPJFB-UKILVPOCSA-N 1 1 478.641 4.534 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501077 555447281 /nfs/dbraw/zinc/44/72/81/555447281.db2.gz HCHAHGBKNHVZHU-QHCPKHFHSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501077 555447283 /nfs/dbraw/zinc/44/72/83/555447283.db2.gz HCHAHGBKNHVZHU-QHCPKHFHSA-N 1 1 460.582 4.669 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501143 555447753 /nfs/dbraw/zinc/44/77/53/555447753.db2.gz BJBYZCNDSSLEDI-VWLOTQADSA-N 1 1 456.594 4.767 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501143 555447756 /nfs/dbraw/zinc/44/77/56/555447756.db2.gz BJBYZCNDSSLEDI-VWLOTQADSA-N 1 1 456.594 4.767 40 0 JJABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1C ZINC000014277114 555785074 /nfs/dbraw/zinc/78/50/74/555785074.db2.gz MMWHBFRPOLRDMO-UHFFFAOYSA-N 1 1 476.621 4.892 40 0 JJABMO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023288676 556038029 /nfs/dbraw/zinc/03/80/29/556038029.db2.gz KXWVHWYVHQLTNT-SANMLTNESA-N 1 1 451.010 4.625 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063974 556261588 /nfs/dbraw/zinc/26/15/88/556261588.db2.gz RADLMEHAMYGSMF-SANMLTNESA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063974 556261590 /nfs/dbraw/zinc/26/15/90/556261590.db2.gz RADLMEHAMYGSMF-SANMLTNESA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064049 556261595 /nfs/dbraw/zinc/26/15/95/556261595.db2.gz PWGDAPQOCRIFNF-AREMUKBSSA-N 1 1 486.620 4.834 40 0 JJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064049 556261598 /nfs/dbraw/zinc/26/15/98/556261598.db2.gz PWGDAPQOCRIFNF-AREMUKBSSA-N 1 1 486.620 4.834 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064270 556261864 /nfs/dbraw/zinc/26/18/64/556261864.db2.gz HHUIGLGWLWAENS-DEOSSOPVSA-N 1 1 464.614 4.924 40 0 JJABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064270 556261865 /nfs/dbraw/zinc/26/18/65/556261865.db2.gz HHUIGLGWLWAENS-DEOSSOPVSA-N 1 1 464.614 4.924 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000030850407 556377248 /nfs/dbraw/zinc/37/72/48/556377248.db2.gz OEMLDYZPGSAJKY-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030865757 556383029 /nfs/dbraw/zinc/38/30/29/556383029.db2.gz WSBFLHFKFDMGHE-HXUWFJFHSA-N 1 1 478.058 4.834 40 0 JJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc2ccccc2c1Br ZINC000030865948 556383070 /nfs/dbraw/zinc/38/30/70/556383070.db2.gz VLKGNCWKTBIVGH-UHFFFAOYSA-N 1 1 450.336 4.792 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(OC)c1 ZINC000008685674 562952597 /nfs/dbraw/zinc/95/25/97/562952597.db2.gz NCVQNZMHUMBEIG-JOCHJYFZSA-N 1 1 464.635 4.528 40 0 JJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(OC)c1 ZINC000008685675 562952615 /nfs/dbraw/zinc/95/26/15/562952615.db2.gz NCVQNZMHUMBEIG-QFIPXVFZSA-N 1 1 464.635 4.528 40 0 JJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000033937278 569638949 /nfs/dbraw/zinc/63/89/49/569638949.db2.gz MWXRTWVZRPSMNC-ILBGXUMGSA-N 1 1 478.641 4.596 40 0 JJABMO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095533207 569725470 /nfs/dbraw/zinc/72/54/70/569725470.db2.gz BANVJFJXKBHLQE-RCOPJXKKSA-N 1 1 462.678 4.986 40 0 JJABMO O=c1c2c(nc3cc([C@@H]4CCC[NH+](Cc5ccccc5F)C4)[n-]n31)CC[N@@H+](Cc1ccccc1F)C2 ZINC000100493042 569762188 /nfs/dbraw/zinc/76/21/88/569762188.db2.gz XXVKMQPQNAZQFD-OAQYLSRUSA-N 1 1 489.570 4.651 40 0 JJABMO O=c1c2c(nc3cc([C@@H]4CCC[NH+](Cc5ccccc5F)C4)[n-]n31)CC[N@H+](Cc1ccccc1F)C2 ZINC000100493042 569762189 /nfs/dbraw/zinc/76/21/89/569762189.db2.gz XXVKMQPQNAZQFD-OAQYLSRUSA-N 1 1 489.570 4.651 40 0 JJABMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851332 569808862 /nfs/dbraw/zinc/80/88/62/569808862.db2.gz UAZDTWMVCDQGBU-SFHVURJKSA-N 1 1 450.385 4.693 40 0 JJABMO O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039759355 569811537 /nfs/dbraw/zinc/81/15/37/569811537.db2.gz PNRAAUNZHDVJAI-UHFFFAOYSA-N 1 1 480.971 4.655 40 0 JJABMO CCOc1ccc(S(=O)(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1Cl ZINC000223011401 569896803 /nfs/dbraw/zinc/89/68/03/569896803.db2.gz HCSVLWRMUVWGTC-UHFFFAOYSA-N 1 1 454.379 4.721 40 0 JJABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cccc(OC)c1 ZINC000224591510 569949823 /nfs/dbraw/zinc/94/98/23/569949823.db2.gz RVRGCLROCKKVGN-UHFFFAOYSA-N 1 1 460.574 4.631 40 0 JJABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(OC)cc1 ZINC000224602231 569950181 /nfs/dbraw/zinc/95/01/81/569950181.db2.gz ZCGRWJWARLBLQS-UHFFFAOYSA-N 1 1 460.574 4.631 40 0 JJABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)ccc2Cl)cc1 ZINC000224774019 569956973 /nfs/dbraw/zinc/95/69/73/569956973.db2.gz XGVMVABIAKRZBF-UHFFFAOYSA-N 1 1 498.048 4.975 40 0 JJABMO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4c(Cl)cccc4Cl)CC3)ccc21 ZINC000225055826 569972289 /nfs/dbraw/zinc/97/22/89/569972289.db2.gz KXOOYVIDOUYFHQ-UHFFFAOYSA-N 1 1 450.391 4.758 40 0 JJABMO O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225339851 569991340 /nfs/dbraw/zinc/99/13/40/569991340.db2.gz CXWHWZZPCJYUKI-UHFFFAOYSA-N 1 1 454.599 4.759 40 0 JJABMO O=C(c1ccc2c(c1)OCC1(CC1)CO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225366988 569993264 /nfs/dbraw/zinc/99/32/64/569993264.db2.gz GXZPPAXSAILWJR-UHFFFAOYSA-N 1 1 454.570 4.785 40 0 JJABMO COc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc(OC)c1OC ZINC000225906674 570027041 /nfs/dbraw/zinc/02/70/41/570027041.db2.gz COXDKDYYWQWMCM-SFHVURJKSA-N 1 1 481.420 4.890 40 0 JJABMO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](c2ccccc2)c2cccc(OC)c2)cc1 ZINC000245227624 570055331 /nfs/dbraw/zinc/05/53/31/570055331.db2.gz QTRQDBCXIKFKJB-FMGHJNRGSA-N 1 1 492.641 4.721 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000253500517 570102224 /nfs/dbraw/zinc/10/22/24/570102224.db2.gz SSLYUKPIBCOVNP-ILBGXUMGSA-N 1 1 478.641 4.946 40 0 JJABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000253500518 570102245 /nfs/dbraw/zinc/10/22/45/570102245.db2.gz SSLYUKPIBCOVNP-NOZRDPDXSA-N 1 1 478.641 4.946 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@@H+](CCc2c[nH]c3ccccc23)Cc2ccc(F)cc2)C1 ZINC000257203691 570109050 /nfs/dbraw/zinc/10/90/50/570109050.db2.gz AREGTMJIKRJARO-NSOVKSMOSA-N 1 1 487.575 4.734 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2cccc(F)c2)C1 ZINC000257211969 570111603 /nfs/dbraw/zinc/11/16/03/570111603.db2.gz CBIQIZLWTPUNLB-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2cccc(F)c2)C1 ZINC000257211969 570111604 /nfs/dbraw/zinc/11/16/04/570111604.db2.gz CBIQIZLWTPUNLB-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000257212266 570111714 /nfs/dbraw/zinc/11/17/14/570111714.db2.gz CCOWRNBXRFRDLC-DEOSSOPVSA-N 1 1 470.552 4.786 40 0 JJABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000257247423 570122260 /nfs/dbraw/zinc/12/22/60/570122260.db2.gz IYZHTXSZJDLWIV-AREMUKBSSA-N 1 1 453.558 4.588 40 0 JJABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000257247424 570122365 /nfs/dbraw/zinc/12/23/65/570122365.db2.gz IYZHTXSZJDLWIV-SANMLTNESA-N 1 1 453.558 4.588 40 0 JJABMO O=C1CCCC[C@]2(C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2ccc(F)cc2)N1 ZINC000257250928 570123477 /nfs/dbraw/zinc/12/34/77/570123477.db2.gz JOPJFADRSWWURH-XTEPFMGCSA-N 1 1 459.565 4.828 40 0 JJABMO COc1ccccc1-c1cccc(C[N@H+]2CCC[C@](C)(c3nc(C)cc(C(=O)N(C)C)n3)C2)c1 ZINC000257252657 570123983 /nfs/dbraw/zinc/12/39/83/570123983.db2.gz JVPLCSRONNFQOK-NDEPHWFRSA-N 1 1 458.606 4.716 40 0 JJABMO Cc1cc(Nc2ccc(F)cn2)nc(C2CCN(Cc3nc4ccc(Cl)cc4[nH]3)CC2)n1 ZINC000257266909 570128582 /nfs/dbraw/zinc/12/85/82/570128582.db2.gz MFDDLLUQAPCNFA-UHFFFAOYSA-N 1 1 451.937 4.972 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257275126 570131242 /nfs/dbraw/zinc/13/12/42/570131242.db2.gz NNZYYQNQSIFKLN-QFIPXVFZSA-N 1 1 453.546 4.842 40 0 JJABMO O=C(c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1)N1CCc2ccccc2C1 ZINC000257292318 570136288 /nfs/dbraw/zinc/13/62/88/570136288.db2.gz QKYHMZILXDHCHU-VWLOTQADSA-N 1 1 469.633 4.588 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccccc4Cl)CO3)C2)c1 ZINC000257315903 570143170 /nfs/dbraw/zinc/14/31/70/570143170.db2.gz VDFFKSCPACLQKG-GJZUVCINSA-N 1 1 465.981 4.736 40 0 JJABMO CC(=O)Nc1cccc([C@@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)C[C@]23CCCCC(=O)N3)c1 ZINC000257319605 570144380 /nfs/dbraw/zinc/14/43/80/570144380.db2.gz VTGGBHBZTDYSIY-LITSAYRRSA-N 1 1 474.649 4.664 40 0 JJABMO CCc1cc([C@@H](c2ccc(SC)cc2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298703 194082234 /nfs/dbraw/zinc/08/22/34/194082234.db2.gz LTODAVKQUBFYAX-RUZDIDTESA-N 1 1 495.714 4.984 40 0 JJABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)Nc3ccccc3)c4=O)C2)c2ccccc21 ZINC000003841800 194363788 /nfs/dbraw/zinc/36/37/88/194363788.db2.gz WRVRTYFKEADWFL-VQTJNVASSA-N 1 1 467.573 4.603 40 0 biogenic,in-vitro JJABMO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1C(F)(F)F ZINC000012643876 195072868 /nfs/dbraw/zinc/07/28/68/195072868.db2.gz GAOFHEWOWSMUCM-YQQQUEKLSA-N 1 1 451.533 4.726 40 0 JJABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1C(F)(F)F ZINC000012643876 195072871 /nfs/dbraw/zinc/07/28/71/195072871.db2.gz GAOFHEWOWSMUCM-YQQQUEKLSA-N 1 1 451.533 4.726 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCc1ccccc1 ZINC000012635707 195067502 /nfs/dbraw/zinc/06/75/02/195067502.db2.gz RNLOIINNTWHIOH-RUZDIDTESA-N 1 1 476.690 4.548 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccccc1OC ZINC000012635631 195067529 /nfs/dbraw/zinc/06/75/29/195067529.db2.gz GQKWIPHGSAWHFL-JOCHJYFZSA-N 1 1 478.662 4.837 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012704529 195092172 /nfs/dbraw/zinc/09/21/72/195092172.db2.gz GSXYQQBSLRCRLE-HSZRJFAPSA-N 1 1 462.594 4.672 40 0 JJABMO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+](Cc4ccc(Oc5ncccn5)cc4)C3)cc2n1 ZINC000057774658 195360316 /nfs/dbraw/zinc/36/03/16/195360316.db2.gz XKXNSAKKDMFUMS-KRWDZBQOSA-N 1 1 468.483 4.882 40 0 JJABMO CCCCCC[C@](C)(O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@@]1(C)Oc4c5c(ccc4O)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316349 130059140 /nfs/dbraw/zinc/05/91/40/130059140.db2.gz UXAZUQJUCGSBCW-ISRLHANOSA-N 1 1 467.650 4.724 40 0 biogenic,in-vitro JJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3Cl)cc2Cl)CC1 ZINC000016681576 521699492 /nfs/dbraw/zinc/69/94/92/521699492.db2.gz OSWYSJHNPWBWNR-UHFFFAOYSA-N 1 1 451.423 4.571 40 0 JJABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4)n3)cn2)cc1 ZINC000049155180 523747775 /nfs/dbraw/zinc/74/77/75/523747775.db2.gz VPALLRANJHVOIE-QFIPXVFZSA-N 1 1 455.518 4.730 40 0 biogenic,in-vitro JJABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)cn2)cc1 ZINC000049155180 523747784 /nfs/dbraw/zinc/74/77/84/523747784.db2.gz VPALLRANJHVOIE-QFIPXVFZSA-N 1 1 455.518 4.730 40 0 biogenic,in-vitro JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000044843539 527372225 /nfs/dbraw/zinc/37/22/25/527372225.db2.gz KPMXYZCNOBAUFI-UHFFFAOYSA-N 1 1 488.613 4.837 40 0 JJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000020460707 527374452 /nfs/dbraw/zinc/37/44/52/527374452.db2.gz RAVGKVJYNHIIQT-UHFFFAOYSA-N 1 1 474.586 4.528 40 0 JJABMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002441327 554209795 /nfs/dbraw/zinc/20/97/95/554209795.db2.gz WFADQTHCDCMLNQ-JLCFBVMHSA-N 1 1 462.388 4.556 40 0 JJABMO COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)[N@H+](C)C2CCCCC2)cc1 ZINC000006301727 554530228 /nfs/dbraw/zinc/53/02/28/554530228.db2.gz PPUJPQMMNBOMMU-SANMLTNESA-N 1 1 486.620 4.542 40 0 JJABMO COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)[N@@H+](C)C2CCCCC2)cc1 ZINC000006301727 554530231 /nfs/dbraw/zinc/53/02/31/554530231.db2.gz PPUJPQMMNBOMMU-SANMLTNESA-N 1 1 486.620 4.542 40 0 JJABMO O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063725 554881605 /nfs/dbraw/zinc/88/16/05/554881605.db2.gz IQYBOQYDDRURQZ-UHFFFAOYSA-N 1 1 457.977 4.956 40 0 JJABMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281281 555050553 /nfs/dbraw/zinc/05/05/53/555050553.db2.gz OMZCJLFMQVLRGE-TUSQITKMSA-N 1 1 458.986 4.664 40 0 JJABMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281281 555050555 /nfs/dbraw/zinc/05/05/55/555050555.db2.gz OMZCJLFMQVLRGE-TUSQITKMSA-N 1 1 458.986 4.664 40 0 JJABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009330658 555100889 /nfs/dbraw/zinc/10/08/89/555100889.db2.gz XCJBUTYEPXPYJJ-BURNTYAHSA-N 1 1 452.913 4.610 40 0 JJABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009330658 555100891 /nfs/dbraw/zinc/10/08/91/555100891.db2.gz XCJBUTYEPXPYJJ-BURNTYAHSA-N 1 1 452.913 4.610 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000013494580 555405403 /nfs/dbraw/zinc/40/54/03/555405403.db2.gz LFFDYTCFRPAJIO-QFIPXVFZSA-N 1 1 452.603 4.564 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000013494580 555405404 /nfs/dbraw/zinc/40/54/04/555405404.db2.gz LFFDYTCFRPAJIO-QFIPXVFZSA-N 1 1 452.603 4.564 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000013494582 555405455 /nfs/dbraw/zinc/40/54/55/555405455.db2.gz LFFDYTCFRPAJIO-JOCHJYFZSA-N 1 1 452.603 4.564 40 0 JJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000013494582 555405459 /nfs/dbraw/zinc/40/54/59/555405459.db2.gz LFFDYTCFRPAJIO-JOCHJYFZSA-N 1 1 452.603 4.564 40 0 JJABMO Cc1cc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000013498967 555426824 /nfs/dbraw/zinc/42/68/24/555426824.db2.gz XQMGRZQQEQFLPT-VWLOTQADSA-N 1 1 474.609 4.915 40 0 JJABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499095 555428117 /nfs/dbraw/zinc/42/81/17/555428117.db2.gz QLMMGPXQJQYFQX-VWLOTQADSA-N 1 1 474.609 4.915 40 0 JJABMO Cc1sc(NC(=O)C[NH+]2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013564973 555500550 /nfs/dbraw/zinc/50/05/50/555500550.db2.gz ODQSODDULIGWKX-UHFFFAOYSA-N 1 1 460.603 4.664 40 0 JJABMO CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)C[NH+]4CCCCCC4)n3)ccc21 ZINC000013565775 555502806 /nfs/dbraw/zinc/50/28/06/555502806.db2.gz POAOFZAMTMFBGS-UHFFFAOYSA-N 1 1 454.640 4.950 40 0 JJABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2cc1C ZINC000020109183 555644944 /nfs/dbraw/zinc/64/49/44/555644944.db2.gz AILWINDHIUPFCM-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc12 ZINC000020109199 555644960 /nfs/dbraw/zinc/64/49/60/555644960.db2.gz LBRBBBBAEIVICF-UHFFFAOYSA-N 1 1 483.012 4.555 40 0 JJABMO COc1cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc(OC)c1OC ZINC000014291049 555791880 /nfs/dbraw/zinc/79/18/80/555791880.db2.gz INJRPMWLVBCUPB-UHFFFAOYSA-N 1 1 496.007 4.940 40 0 JJABMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1OC ZINC000023292194 556038358 /nfs/dbraw/zinc/03/83/58/556038358.db2.gz HVQHJZYYDRVJNT-VWLOTQADSA-N 1 1 479.646 4.971 40 0 JJABMO c1ccc2c(c1)nnn2[C@@H](NC1CCCCC1)[C@@H]([NH2+]C1CCCCC1)n1nnc2ccccc21 ZINC000023469485 556073634 /nfs/dbraw/zinc/07/36/34/556073634.db2.gz BUSAACUHTXKBEK-WMPKNSHKSA-N 1 1 458.614 4.718 40 0 JJABMO c1ccc2c(c1)nnn2[C@@H]([NH2+]C1CCCCC1)[C@@H](NC1CCCCC1)n1nnc2ccccc21 ZINC000023469485 556073637 /nfs/dbraw/zinc/07/36/37/556073637.db2.gz BUSAACUHTXKBEK-WMPKNSHKSA-N 1 1 458.614 4.718 40 0 JJABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C[C@@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000013063669 556260657 /nfs/dbraw/zinc/26/06/57/556260657.db2.gz XWPKXZJYYWRRHC-UKILVPOCSA-N 1 1 478.641 4.542 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063973 556261467 /nfs/dbraw/zinc/26/14/67/556261467.db2.gz RADLMEHAMYGSMF-AREMUKBSSA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063973 556261472 /nfs/dbraw/zinc/26/14/72/556261472.db2.gz RADLMEHAMYGSMF-AREMUKBSSA-N 1 1 470.621 4.962 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064497 556261840 /nfs/dbraw/zinc/26/18/40/556261840.db2.gz VUQUISMNEHWUDQ-NRFANRHFSA-N 1 1 482.629 4.573 40 0 JJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064497 556261842 /nfs/dbraw/zinc/26/18/42/556261842.db2.gz VUQUISMNEHWUDQ-NRFANRHFSA-N 1 1 482.629 4.573 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064332 556261892 /nfs/dbraw/zinc/26/18/92/556261892.db2.gz AQWDPTZYVUKDPQ-VWLOTQADSA-N 1 1 490.583 4.607 40 0 JJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064332 556261894 /nfs/dbraw/zinc/26/18/94/556261894.db2.gz AQWDPTZYVUKDPQ-VWLOTQADSA-N 1 1 490.583 4.607 40 0 JJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064627 556262405 /nfs/dbraw/zinc/26/24/05/556262405.db2.gz DXRDHHJJYSLTAL-UKILVPOCSA-N 1 1 478.641 4.596 40 0 JJABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000027373440 556277176 /nfs/dbraw/zinc/27/71/76/556277176.db2.gz KXPQUHHNPNEABT-CXSMSNRLSA-N 1 1 450.538 4.970 40 0 JJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(OC)cc1OC ZINC000008685678 562952584 /nfs/dbraw/zinc/95/25/84/562952584.db2.gz KXNWGWWYNFNKJS-OAQYLSRUSA-N 1 1 494.661 4.537 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000033937277 569638807 /nfs/dbraw/zinc/63/88/07/569638807.db2.gz MWXRTWVZRPSMNC-NOZRDPDXSA-N 1 1 478.641 4.596 40 0 JJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000033937306 569638848 /nfs/dbraw/zinc/63/88/48/569638848.db2.gz JIYSWNSIUPXFNL-DNQXCXABSA-N 1 1 478.641 4.678 40 0 JJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000033937309 569638943 /nfs/dbraw/zinc/63/89/43/569638943.db2.gz AOMGFNKEJMBVMM-NOZRDPDXSA-N 1 1 478.641 4.678 40 0 JJABMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)CC1 ZINC000036628578 569779158 /nfs/dbraw/zinc/77/91/58/569779158.db2.gz FGBHUQJPKWDZOL-UHFFFAOYSA-N 1 1 455.562 4.545 40 0 JJABMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(OC)c2)CC1 ZINC000036628528 569779167 /nfs/dbraw/zinc/77/91/67/569779167.db2.gz KWNMVZGNXPZIOS-UHFFFAOYSA-N 1 1 455.562 4.545 40 0 JJABMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000038836171 569808716 /nfs/dbraw/zinc/80/87/16/569808716.db2.gz XGLULRZZTFCYRB-GOSISDBHSA-N 1 1 462.421 4.563 40 0 JJABMO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OC ZINC000039762810 569811643 /nfs/dbraw/zinc/81/16/43/569811643.db2.gz QRXIPSNJTDRHST-UHFFFAOYSA-N 1 1 462.993 4.847 40 0 JJABMO C[N@H+]1CCCN(C(=O)c2cccc(-c3ccc(/C=C4\C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1 ZINC000114431817 569862766 /nfs/dbraw/zinc/86/27/66/569862766.db2.gz KGBPLKOPSFDBOX-JWGURIENSA-N 1 1 461.949 4.870 40 0 JJABMO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224546995 569947929 /nfs/dbraw/zinc/94/79/29/569947929.db2.gz XOZLKCLCDLSCRL-UHFFFAOYSA-N 1 1 451.792 4.510 40 0 JJABMO O=C(NCCNc1ccnc2cc(Cl)ccc21)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225905053 570026731 /nfs/dbraw/zinc/02/67/31/570026731.db2.gz YNEHWUMFDDEXPF-GOSISDBHSA-N 1 1 457.405 4.982 40 0 JJABMO O=C(NCCNc1ccnc2cc(Cl)ccc21)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225905071 570026783 /nfs/dbraw/zinc/02/67/83/570026783.db2.gz YNEHWUMFDDEXPF-SFHVURJKSA-N 1 1 457.405 4.982 40 0 JJABMO COc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc(OC)c1OC ZINC000225909680 570027120 /nfs/dbraw/zinc/02/71/20/570027120.db2.gz WSANXRFXMBWQDO-KRWDZBQOSA-N 1 1 481.420 4.890 40 0 JJABMO CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000226069940 570035506 /nfs/dbraw/zinc/03/55/06/570035506.db2.gz RSFFWTLGRMOWDD-HHHXNRCGSA-N 1 1 482.709 4.975 40 0 JJABMO O[C@@H](Cc1ccc(Br)cc1)C[N@H+]1CCC[C@]2(C1)Nc1ccccc1-n1cccc12 ZINC000247761327 570069319 /nfs/dbraw/zinc/06/93/19/570069319.db2.gz HMYJNANLFLYKBG-GBXCKJPGSA-N 1 1 452.396 4.560 40 0 JJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408994065 570095009 /nfs/dbraw/zinc/09/50/09/570095009.db2.gz YFRRVZXFFXMLQG-XMMPIXPASA-N 1 1 497.617 4.530 40 0 JJABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1)N1CCCCC1 ZINC000257200130 570107688 /nfs/dbraw/zinc/10/76/88/570107688.db2.gz ACDHLWOXSSQXTN-HHHXNRCGSA-N 1 1 482.024 4.874 40 0 JJABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1)N1CCCCC1 ZINC000257200130 570107689 /nfs/dbraw/zinc/10/76/89/570107689.db2.gz ACDHLWOXSSQXTN-HHHXNRCGSA-N 1 1 482.024 4.874 40 0 JJABMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257200226 570107889 /nfs/dbraw/zinc/10/78/89/570107889.db2.gz ACMQSTIVVKTMPU-AZOUXBGGSA-N 1 1 473.013 4.562 40 0 JJABMO Cc1[nH]c2ccc(CNC(=O)C[N@H+]3CC[C@H]4[C@H]3CCCCC(=O)N4Cc3ccccc3F)cc2c1C ZINC000257200414 570107945 /nfs/dbraw/zinc/10/79/45/570107945.db2.gz ADEVPYBMLYDURO-SXOMAYOGSA-N 1 1 490.623 4.586 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257202812 570108664 /nfs/dbraw/zinc/10/86/64/570108664.db2.gz ANNKNWZVJOJFEU-OAQYLSRUSA-N 1 1 471.536 4.981 40 0 JJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3F)C2)c1 ZINC000257215977 570112851 /nfs/dbraw/zinc/11/28/51/570112851.db2.gz CSMUAAFHVLZOEG-QFIPXVFZSA-N 1 1 471.536 4.981 40 0 JJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(C)c2)n1 ZINC000257216057 570112871 /nfs/dbraw/zinc/11/28/71/570112871.db2.gz CSXYTFVSTKKGDC-HHHXNRCGSA-N 1 1 451.574 4.906 40 0 JJABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCn3ccc(C)n3)cc2)CC1 ZINC000257220688 570114272 /nfs/dbraw/zinc/11/42/72/570114272.db2.gz DLSMXDXCHDHWBP-HHHXNRCGSA-N 1 1 467.585 4.860 40 0 JJABMO CC(C)c1ccc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)Cc4ccccc4)C(C)(C)C3)CC2)cc1 ZINC000257220809 570114295 /nfs/dbraw/zinc/11/42/95/570114295.db2.gz DMGAVRNNTYQXKD-UHFFFAOYSA-N 1 1 497.705 4.845 40 0 JJABMO Cc1nc(Nc2ccc(F)cn2)cc(C2CC[NH+](CC(=O)Nc3cccc(Cl)c3C)CC2)n1 ZINC000257229316 570116859 /nfs/dbraw/zinc/11/68/59/570116859.db2.gz FXPPHDXOKNBTOM-UHFFFAOYSA-N 1 1 468.964 4.843 40 0 JJABMO COc1ccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+](C5CCCCC5)C4)nc32)cc1 ZINC000257230785 570117227 /nfs/dbraw/zinc/11/72/27/570117227.db2.gz GDXODIRHKHXIRL-QFIPXVFZSA-N 1 1 462.638 4.828 40 0 JJABMO COc1ccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](C5CCCCC5)C4)nc32)cc1 ZINC000257230784 570117269 /nfs/dbraw/zinc/11/72/69/570117269.db2.gz GDXODIRHKHXIRL-JOCHJYFZSA-N 1 1 462.638 4.828 40 0 JJABMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COc4ccccc4OC)C[C@@H]32)c1 ZINC000257232578 570117851 /nfs/dbraw/zinc/11/78/51/570117851.db2.gz GLMKKVAIWNFEJR-ZONZVBGPSA-N 1 1 486.612 4.599 40 0 JJABMO COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccccc3Cn3cc[nH+]c3C)n2)cc1 ZINC000257233730 570118104 /nfs/dbraw/zinc/11/81/04/570118104.db2.gz GQMLJUAIUOHUOW-VWLOTQADSA-N 1 1 453.546 4.683 40 0 JJABMO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CCCO2)cc1 ZINC000257233679 570118186 /nfs/dbraw/zinc/11/81/86/570118186.db2.gz GQFDKSINCHNWFK-DCFHFQCYSA-N 1 1 454.586 4.584 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccc(Cl)c(F)c2)C1 ZINC000257240063 570120194 /nfs/dbraw/zinc/12/01/94/570120194.db2.gz HRXFYZBYZGCYBA-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(Cl)c(F)c2)C1 ZINC000257240063 570120196 /nfs/dbraw/zinc/12/01/96/570120196.db2.gz HRXFYZBYZGCYBA-JWQCQUIFSA-N 1 1 468.956 4.863 40 0 JJABMO Cc1nc(Nc2ccc(F)cn2)cc(C2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000257248631 570122731 /nfs/dbraw/zinc/12/27/31/570122731.db2.gz JENLWLZKYWRCPJ-UHFFFAOYSA-N 1 1 488.489 4.900 40 0 JJABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000257251084 570123474 /nfs/dbraw/zinc/12/34/74/570123474.db2.gz JPHZWJPQEHKTCB-BIYCFNCWSA-N 1 1 463.622 4.602 40 0 JJABMO CC(C)(C)C(=O)NC[C@@](O)(c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278439 570132166 /nfs/dbraw/zinc/13/21/66/570132166.db2.gz OCHSIOFWBVFHAX-KOSHJBKYSA-N 1 1 464.437 4.651 40 0 JJABMO CC(C)(C)C(=O)NC[C@@](O)(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278439 570132168 /nfs/dbraw/zinc/13/21/68/570132168.db2.gz OCHSIOFWBVFHAX-KOSHJBKYSA-N 1 1 464.437 4.651 40 0 JJABMO Cc1ccc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)s1 ZINC000257300250 570138509 /nfs/dbraw/zinc/13/85/09/570138509.db2.gz RTPYMZQTBUONCZ-VWLOTQADSA-N 1 1 477.070 4.928 40 0 JJABMO COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CCn4cc[nH+]c4C(C)C)CC3)CO[C@H]21 ZINC000257307759 570140706 /nfs/dbraw/zinc/14/07/06/570140706.db2.gz TTZOMGNISRZLFO-XUZZJYLKSA-N 1 1 481.637 4.963 40 0 JJABMO CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)CCC(C)(C)N(S(=O)(=O)c1ccccc1)C2 ZINC000257318637 570144113 /nfs/dbraw/zinc/14/41/13/570144113.db2.gz VOUUCGCERLZWAX-UHFFFAOYSA-N 1 1 483.678 4.533 40 0 JJABMO Cn1cc(-c2cc(C(=O)N3CCCCC[C@@H]4[N@@H+](C)[C@H](Cc5ccccc5)C[C@@]43C)ccn2)cn1 ZINC000257324977 570145985 /nfs/dbraw/zinc/14/59/85/570145985.db2.gz WQZOGRAWYHYXCA-XDIPAPSNSA-N 1 1 457.622 4.572 40 0 JJABMO CCOCc1cc(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)ccc1OC ZINC000257330610 570147720 /nfs/dbraw/zinc/14/77/20/570147720.db2.gz XPBWDQQYOIOHKM-QFIPXVFZSA-N 1 1 461.610 4.529 40 0 JJABMO O=C(C[N@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21)Nc1ccc(Oc2cccnc2)cc1 ZINC000257338460 570149961 /nfs/dbraw/zinc/14/99/61/570149961.db2.gz YXMQFIKNBVNYDO-MVNQZMKCSA-N 1 1 484.600 4.557 40 0 JJABMO COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000257338291 570150035 /nfs/dbraw/zinc/15/00/35/570150035.db2.gz YWTHUAMWSDNTBF-QHCPKHFHSA-N 1 1 451.542 4.599 40 0 JJABMO COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000257338291 570150038 /nfs/dbraw/zinc/15/00/38/570150038.db2.gz YWTHUAMWSDNTBF-QHCPKHFHSA-N 1 1 451.542 4.599 40 0 JJABMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](CCc2c[nH]c3ccccc23)Cc2ccccc2Cl)C1 ZINC000257339281 570150256 /nfs/dbraw/zinc/15/02/56/570150256.db2.gz ZBAWXNUPVVKYPH-DNQXCXABSA-N 1 1 470.013 4.846 40 0 JJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000408571762 570204768 /nfs/dbraw/zinc/20/47/68/570204768.db2.gz FKLPTYVWYNCZBV-FMIVXFBMSA-N 1 1 481.021 4.878 40 0 JJABMO