smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001372991 194106917 /nfs/dbraw/zinc/10/69/17/194106917.db2.gz UEGONXPARRTITK-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001372991 194106919 /nfs/dbraw/zinc/10/69/19/194106919.db2.gz UEGONXPARRTITK-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374709 194108931 /nfs/dbraw/zinc/10/89/31/194108931.db2.gz ORRUACAFTXQYNM-DEOSSOPVSA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374709 194108934 /nfs/dbraw/zinc/10/89/34/194108934.db2.gz ORRUACAFTXQYNM-DEOSSOPVSA-N 1 2 474.609 4.740 40 0 JJABLO Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000001362250 194102244 /nfs/dbraw/zinc/10/22/44/194102244.db2.gz ULPWKRLDBDAHTF-NDEPHWFRSA-N 1 2 490.611 4.522 40 0 JJABLO Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000001362250 194102247 /nfs/dbraw/zinc/10/22/47/194102247.db2.gz ULPWKRLDBDAHTF-NDEPHWFRSA-N 1 2 490.611 4.522 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057584889 195351228 /nfs/dbraw/zinc/35/12/28/195351228.db2.gz IGMAZWSRLAIPCG-MHZLTWQESA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057584889 195351231 /nfs/dbraw/zinc/35/12/31/195351231.db2.gz IGMAZWSRLAIPCG-MHZLTWQESA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589646 195351502 /nfs/dbraw/zinc/35/15/02/195351502.db2.gz RBIRVSAGTKDOTK-XMMPIXPASA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589646 195351504 /nfs/dbraw/zinc/35/15/04/195351504.db2.gz RBIRVSAGTKDOTK-XMMPIXPASA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057589845 195351690 /nfs/dbraw/zinc/35/16/90/195351690.db2.gz QDYLMYYNANQAHL-XMMPIXPASA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057589845 195351692 /nfs/dbraw/zinc/35/16/92/195351692.db2.gz QDYLMYYNANQAHL-XMMPIXPASA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057589849 195351791 /nfs/dbraw/zinc/35/17/91/195351791.db2.gz SRODMAHRANQKGI-MHZLTWQESA-N 1 2 496.590 4.930 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057589849 195351794 /nfs/dbraw/zinc/35/17/94/195351794.db2.gz SRODMAHRANQKGI-MHZLTWQESA-N 1 2 496.590 4.930 40 0 JJABLO CCCC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057613762 195353574 /nfs/dbraw/zinc/35/35/74/195353574.db2.gz LGSOZLPAOMPLNQ-JOCHJYFZSA-N 1 2 461.639 4.579 40 0 JJABLO CCC(C)(C)c1ccccc1OCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000096305852 130055546 /nfs/dbraw/zinc/05/55/46/130055546.db2.gz OJSKSNIWLLETBB-UHFFFAOYSA-N 1 2 452.595 4.606 40 0 JJABLO CC[C@@H](c1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1Cc1ccccc1)[NH+](C)C ZINC000008965488 523130146 /nfs/dbraw/zinc/13/01/46/523130146.db2.gz NVCJVSXFEYRCGQ-IPJJNNNSSA-N 1 2 463.651 4.798 40 0 JJABLO COc1ccc(C(C)C)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026843527 523794981 /nfs/dbraw/zinc/79/49/81/523794981.db2.gz KQBVRAANNRGAPE-UHFFFAOYSA-N 1 2 464.631 4.915 40 0 JJABLO Cc1ccc(S[C@]2(C[NH+]3CCOCC3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310895 525668481 /nfs/dbraw/zinc/66/84/81/525668481.db2.gz XZXVFPLXZJNBNF-JOCHJYFZSA-N 1 2 462.409 4.504 40 0 JJABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020456731 527374536 /nfs/dbraw/zinc/37/45/36/527374536.db2.gz CFZLNGMVDCFTJT-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1cc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2cc1C ZINC000000927154 553863860 /nfs/dbraw/zinc/86/38/60/553863860.db2.gz WTJVBQLTUVEHKN-UHFFFAOYSA-N 1 2 470.621 4.882 40 0 JJABLO Cc1cc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2cc1C ZINC000000927154 553863861 /nfs/dbraw/zinc/86/38/61/553863861.db2.gz WTJVBQLTUVEHKN-UHFFFAOYSA-N 1 2 470.621 4.882 40 0 JJABLO CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000001346105 553954968 /nfs/dbraw/zinc/95/49/68/553954968.db2.gz YRRMLVUNGURZRS-XMMPIXPASA-N 1 2 476.028 4.537 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494457 555404542 /nfs/dbraw/zinc/40/45/42/555404542.db2.gz BDYPFJZFWYTSDQ-XMMPIXPASA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494457 555404543 /nfs/dbraw/zinc/40/45/43/555404543.db2.gz BDYPFJZFWYTSDQ-XMMPIXPASA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495117 555407330 /nfs/dbraw/zinc/40/73/30/555407330.db2.gz RYBDFVGYGRZVPI-RUZDIDTESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495117 555407334 /nfs/dbraw/zinc/40/73/34/555407334.db2.gz RYBDFVGYGRZVPI-RUZDIDTESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495742 555409212 /nfs/dbraw/zinc/40/92/12/555409212.db2.gz UVPLWQRVTFICAF-JOCHJYFZSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495742 555409213 /nfs/dbraw/zinc/40/92/13/555409213.db2.gz UVPLWQRVTFICAF-JOCHJYFZSA-N 1 2 474.590 4.679 40 0 JJABLO COc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498486 555421161 /nfs/dbraw/zinc/42/11/61/555421161.db2.gz RBWFZDDOFWTDLX-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498486 555421164 /nfs/dbraw/zinc/42/11/64/555421164.db2.gz RBWFZDDOFWTDLX-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498508 555421289 /nfs/dbraw/zinc/42/12/89/555421289.db2.gz YUZFHXSGPSDFFF-XMMPIXPASA-N 1 2 460.582 4.931 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498508 555421291 /nfs/dbraw/zinc/42/12/91/555421291.db2.gz YUZFHXSGPSDFFF-XMMPIXPASA-N 1 2 460.582 4.931 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498577 555422197 /nfs/dbraw/zinc/42/21/97/555422197.db2.gz UGCONAQBIGCMAP-AREMUKBSSA-N 1 2 482.588 4.864 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498577 555422198 /nfs/dbraw/zinc/42/21/98/555422198.db2.gz UGCONAQBIGCMAP-AREMUKBSSA-N 1 2 482.588 4.864 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498673 555423427 /nfs/dbraw/zinc/42/34/27/555423427.db2.gz AEIIFEMKYFAWME-AREMUKBSSA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498673 555423428 /nfs/dbraw/zinc/42/34/28/555423428.db2.gz AEIIFEMKYFAWME-AREMUKBSSA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498748 555424157 /nfs/dbraw/zinc/42/41/57/555424157.db2.gz OCOKMLGGANJRDH-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498748 555424159 /nfs/dbraw/zinc/42/41/59/555424159.db2.gz OCOKMLGGANJRDH-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO CCC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499598 555433518 /nfs/dbraw/zinc/43/35/18/555433518.db2.gz MJLGWOYINJCZNW-SANMLTNESA-N 1 2 488.636 4.630 40 0 JJABLO CCC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499598 555433520 /nfs/dbraw/zinc/43/35/20/555433520.db2.gz MJLGWOYINJCZNW-SANMLTNESA-N 1 2 488.636 4.630 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500207 555437883 /nfs/dbraw/zinc/43/78/83/555437883.db2.gz SBFQIUBZEYHVIW-XMMPIXPASA-N 1 2 458.610 4.978 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500207 555437885 /nfs/dbraw/zinc/43/78/85/555437885.db2.gz SBFQIUBZEYHVIW-XMMPIXPASA-N 1 2 458.610 4.978 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500964 555445805 /nfs/dbraw/zinc/44/58/05/555445805.db2.gz CLJVDSHSPCHWIN-XUZZJYLKSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500964 555445810 /nfs/dbraw/zinc/44/58/10/555445810.db2.gz CLJVDSHSPCHWIN-XUZZJYLKSA-N 1 2 492.649 4.607 40 0 JJABLO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1 ZINC000013564955 555500262 /nfs/dbraw/zinc/50/02/62/555500262.db2.gz IVYLGJDAYKPPOY-UHFFFAOYSA-N 1 2 464.566 4.577 40 0 JJABLO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1 ZINC000013564957 555500343 /nfs/dbraw/zinc/50/03/43/555500343.db2.gz DPMWUISJWWDLEV-UHFFFAOYSA-N 1 2 464.566 4.577 40 0 JJABLO CCSc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)n1CC ZINC000013565140 555501278 /nfs/dbraw/zinc/50/12/78/555501278.db2.gz NFVJNJQRWPQVOA-CYBMUJFWSA-N 1 2 475.968 4.900 40 0 JJABLO CCSc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)n1CC ZINC000013565140 555501280 /nfs/dbraw/zinc/50/12/80/555501280.db2.gz NFVJNJQRWPQVOA-CYBMUJFWSA-N 1 2 475.968 4.900 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 ZINC000014272781 555771031 /nfs/dbraw/zinc/77/10/31/555771031.db2.gz NWGRPHKFUVJWMP-UHFFFAOYSA-N 1 2 459.550 4.845 40 0 JJABLO CC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000015675874 555934851 /nfs/dbraw/zinc/93/48/51/555934851.db2.gz IMSMLBKYEWFYOB-FQEVSTJZSA-N 1 2 462.897 4.647 40 0 biogenic,in-vitro JJABLO CC(=O)c1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000015675874 555934855 /nfs/dbraw/zinc/93/48/55/555934855.db2.gz IMSMLBKYEWFYOB-FQEVSTJZSA-N 1 2 462.897 4.647 40 0 biogenic,in-vitro JJABLO Cc1ccc([C@@H]2C(C(=O)N3CCN(c4ccccc4)CC3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000022572742 555937679 /nfs/dbraw/zinc/93/76/79/555937679.db2.gz RSVRMBGLCOBQMZ-HHHXNRCGSA-N 1 2 463.585 4.982 40 0 JJABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529814 555999696 /nfs/dbraw/zinc/99/96/96/555999696.db2.gz LQTZJZOQBIICRU-IRXDYDNUSA-N 1 2 465.863 4.976 40 0 biogenic,in-vitro JJABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529814 555999698 /nfs/dbraw/zinc/99/96/98/555999698.db2.gz LQTZJZOQBIICRU-IRXDYDNUSA-N 1 2 465.863 4.976 40 0 biogenic,in-vitro JJABLO CC(C)c1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c(C(C)C)c1 ZINC000019366188 556345801 /nfs/dbraw/zinc/34/58/01/556345801.db2.gz COLOGUIDTBCFOM-VSGBNLITSA-N 1 2 464.650 4.890 40 0 JJABLO CC(C)c1ccc(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c(C(C)C)c1 ZINC000019366191 556346095 /nfs/dbraw/zinc/34/60/95/556346095.db2.gz COLOGUIDTBCFOM-WUFINQPMSA-N 1 2 464.650 4.890 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019526623 556351577 /nfs/dbraw/zinc/35/15/77/556351577.db2.gz UXGFOVSQOPWHBO-HHHXNRCGSA-N 1 2 494.599 4.573 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019526623 556351581 /nfs/dbraw/zinc/35/15/81/556351581.db2.gz UXGFOVSQOPWHBO-HHHXNRCGSA-N 1 2 494.599 4.573 40 0 JJABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3-n3cc[nH+]c3)c2)cc1 ZINC000030849130 556376740 /nfs/dbraw/zinc/37/67/40/556376740.db2.gz RZCSPOFTFWVLBG-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO O=S1(=O)C[C@H]2[NH+]=C(SCc3ccc(Cl)c(Cl)c3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508707 556443526 /nfs/dbraw/zinc/44/35/26/556443526.db2.gz YQWNKSAOGPCCHD-QZTJIDSGSA-N 1 2 475.850 4.917 40 0 JJABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111870 560061015 /nfs/dbraw/zinc/06/10/15/560061015.db2.gz GRLOASMPELEEAW-UNMCSNQZSA-N 1 2 453.464 4.669 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111870 560061017 /nfs/dbraw/zinc/06/10/17/560061017.db2.gz GRLOASMPELEEAW-UNMCSNQZSA-N 1 2 453.464 4.669 40 0 biogenic,in-vitro JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937326 569638853 /nfs/dbraw/zinc/63/88/53/569638853.db2.gz DWJGXHGQFSHGNA-ILBGXUMGSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937326 569638854 /nfs/dbraw/zinc/63/88/54/569638854.db2.gz DWJGXHGQFSHGNA-ILBGXUMGSA-N 1 2 478.641 4.707 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937345 569638937 /nfs/dbraw/zinc/63/89/37/569638937.db2.gz XLVKLMSNOOBSDK-AOYPEHQESA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937345 569638939 /nfs/dbraw/zinc/63/89/39/569638939.db2.gz XLVKLMSNOOBSDK-AOYPEHQESA-N 1 2 486.620 4.546 40 0 JJABLO CCCCOC(=O)c1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000139120296 569867208 /nfs/dbraw/zinc/86/72/08/569867208.db2.gz MRPXPHFGEWONCT-UHFFFAOYSA-N 1 2 488.584 4.828 40 0 JJABLO Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223159942 569901537 /nfs/dbraw/zinc/90/15/37/569901537.db2.gz NOTZMCBOMXCVGU-ZEQRLZLVSA-N 1 2 483.037 4.608 40 0 JJABLO Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)cc1Cl ZINC000223161616 569901555 /nfs/dbraw/zinc/90/15/55/569901555.db2.gz SLPOIYXTLRVKBJ-DNQXCXABSA-N 1 2 483.037 4.608 40 0 JJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc3ccccc3c2)N1CCC[NH+]1CCOCC1 ZINC000223198496 569903129 /nfs/dbraw/zinc/90/31/29/569903129.db2.gz WKXDXXNPJJJBJO-VSGBNLITSA-N 1 2 497.668 4.720 40 0 JJABLO Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1Cl ZINC000223204530 569903365 /nfs/dbraw/zinc/90/33/65/569903365.db2.gz PHPZOVLHXAOCGP-LOSJGSFVSA-N 1 2 497.064 4.998 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223470051 569912382 /nfs/dbraw/zinc/91/23/82/569912382.db2.gz FZOLCIBIXKTGOG-DQEYMECFSA-N 1 2 454.603 4.506 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867363 569925594 /nfs/dbraw/zinc/92/55/94/569925594.db2.gz ZBBWLDYWSLIWPV-RPBOFIJWSA-N 1 2 455.587 4.821 40 0 JJABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cccc(C)c1 ZINC000224388164 569942940 /nfs/dbraw/zinc/94/29/40/569942940.db2.gz GSMXBYBTFHGQBB-UHFFFAOYSA-N 1 2 488.584 4.659 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)cc1 ZINC000225510691 570001080 /nfs/dbraw/zinc/00/10/80/570001080.db2.gz JNPMWCACZOMYNR-KAYWLYCHSA-N 1 2 496.640 4.550 40 0 JJABLO Cc1cc(Br)ccc1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000408673031 570008583 /nfs/dbraw/zinc/00/85/83/570008583.db2.gz XZUFGLUXGFHKDW-UHFFFAOYSA-N 1 2 481.390 4.942 40 0 JJABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(C)C ZINC000408694041 570016657 /nfs/dbraw/zinc/01/66/57/570016657.db2.gz AAPAXCIYNLBEIJ-UHFFFAOYSA-N 1 2 464.631 4.915 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(OCc3cccc(C)c3)cc2)cc1 ZINC000408704782 570024242 /nfs/dbraw/zinc/02/42/42/570024242.db2.gz SVFBIQOMMLSESE-AREMUKBSSA-N 1 2 481.556 4.755 40 0 JJABLO Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408960098 570085495 /nfs/dbraw/zinc/08/54/95/570085495.db2.gz JKCDOYKBKQNDAE-JCMHNJIXSA-N 1 2 460.559 4.527 40 0 JJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500290 570101388 /nfs/dbraw/zinc/10/13/88/570101388.db2.gz AEJKHMIUHPPITC-AOYPEHQESA-N 1 2 486.620 4.610 40 0 JJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500290 570101389 /nfs/dbraw/zinc/10/13/89/570101389.db2.gz AEJKHMIUHPPITC-AOYPEHQESA-N 1 2 486.620 4.610 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500361 570101588 /nfs/dbraw/zinc/10/15/88/570101588.db2.gz GXSBYQZJDOCGJE-IRLDBZIGSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500361 570101589 /nfs/dbraw/zinc/10/15/89/570101589.db2.gz GXSBYQZJDOCGJE-IRLDBZIGSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500424 570101675 /nfs/dbraw/zinc/10/16/75/570101675.db2.gz MVXHRGOBUITNTJ-QPPBQGQZSA-N 1 2 464.614 4.791 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500424 570101676 /nfs/dbraw/zinc/10/16/76/570101676.db2.gz MVXHRGOBUITNTJ-QPPBQGQZSA-N 1 2 464.614 4.791 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500438 570101846 /nfs/dbraw/zinc/10/18/46/570101846.db2.gz OFBYNTIUXQTIGF-FGZHOGPDSA-N 1 2 466.630 4.821 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500438 570101848 /nfs/dbraw/zinc/10/18/48/570101848.db2.gz OFBYNTIUXQTIGF-FGZHOGPDSA-N 1 2 466.630 4.821 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500450 570101912 /nfs/dbraw/zinc/10/19/12/570101912.db2.gz OSHLAGXWYLTDRF-IFMALSPDSA-N 1 2 452.603 4.513 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500450 570101914 /nfs/dbraw/zinc/10/19/14/570101914.db2.gz OSHLAGXWYLTDRF-IFMALSPDSA-N 1 2 452.603 4.513 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500471 570101962 /nfs/dbraw/zinc/10/19/62/570101962.db2.gz PYCJKKTXNQRBOS-ILBGXUMGSA-N 1 2 494.640 4.963 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500471 570101964 /nfs/dbraw/zinc/10/19/64/570101964.db2.gz PYCJKKTXNQRBOS-ILBGXUMGSA-N 1 2 494.640 4.963 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500521 570102263 /nfs/dbraw/zinc/10/22/63/570102263.db2.gz UFTOEFQLKKNQSV-ISKFKSNPSA-N 1 2 480.613 4.573 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500521 570102264 /nfs/dbraw/zinc/10/22/64/570102264.db2.gz UFTOEFQLKKNQSV-ISKFKSNPSA-N 1 2 480.613 4.573 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2F)Cc2ccccc2Cl)C1 ZINC000257214946 570112657 /nfs/dbraw/zinc/11/26/57/570112657.db2.gz COBCILRFCGQDFE-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2F)Cc2ccccc2Cl)C1 ZINC000257214946 570112658 /nfs/dbraw/zinc/11/26/58/570112658.db2.gz COBCILRFCGQDFE-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)C[N@H+](C)Cc3ccccc3F)o2)c1 ZINC000257233483 570117910 /nfs/dbraw/zinc/11/79/10/570117910.db2.gz GPMJREAJGVHIBB-DEOSSOPVSA-N 1 2 451.542 4.599 40 0 JJABLO COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)C[N@@H+](C)Cc3ccccc3F)o2)c1 ZINC000257233483 570117911 /nfs/dbraw/zinc/11/79/11/570117911.db2.gz GPMJREAJGVHIBB-DEOSSOPVSA-N 1 2 451.542 4.599 40 0 JJABLO Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)n1 ZINC000257238603 570119790 /nfs/dbraw/zinc/11/97/90/570119790.db2.gz HLTQDKVYRNWHDK-QFIPXVFZSA-N 1 2 471.536 4.981 40 0 JJABLO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCCn3cc[nH+]c3)cc(Br)c1OC2(C)C ZINC000257247419 570122265 /nfs/dbraw/zinc/12/22/65/570122265.db2.gz IYYPSSRGLFLOLV-BFYDXBDKSA-N 1 2 476.415 4.862 40 0 JJABLO CC(=O)n1cc(C[N@@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)c2ccccc21 ZINC000257253217 570124088 /nfs/dbraw/zinc/12/40/88/570124088.db2.gz JXZZQYXFYAYAJM-QFIPXVFZSA-N 1 2 476.602 4.623 40 0 JJABLO CC(=O)n1cc(C[N@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)c2ccccc21 ZINC000257253217 570124089 /nfs/dbraw/zinc/12/40/89/570124089.db2.gz JXZZQYXFYAYAJM-QFIPXVFZSA-N 1 2 476.602 4.623 40 0 JJABLO Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccccc4C[NH+]4CCOCC4)C3)n2)c1 ZINC000257266268 570128356 /nfs/dbraw/zinc/12/83/56/570128356.db2.gz MCFXIGIAOKLFAV-SANMLTNESA-N 1 2 469.629 4.833 40 0 JJABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257266763 570128543 /nfs/dbraw/zinc/12/85/43/570128543.db2.gz MEKMCDRUWIXQRH-RUZDIDTESA-N 1 2 457.965 4.943 40 0 JJABLO COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCCCn3cc[nH+]c3)CCOCC2)cc1 ZINC000257307902 570140729 /nfs/dbraw/zinc/14/07/29/570140729.db2.gz TUPMWMRLVIPNJC-UHFFFAOYSA-N 1 2 465.569 4.634 40 0 JJABLO COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000257310293 570141577 /nfs/dbraw/zinc/14/15/77/570141577.db2.gz UENMFMBPPYTJEB-JOCHJYFZSA-N 1 2 469.545 4.542 40 0 JJABLO Clc1cc(I)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329046563 570182848 /nfs/dbraw/zinc/18/28/48/570182848.db2.gz UBYAZJMOGAZTPD-UHFFFAOYSA-N 1 2 468.770 4.944 40 0 JJABLO COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)cc1 ZINC000257313987 570142668 /nfs/dbraw/zinc/14/26/68/570142668.db2.gz UUXWKLBCJMOGMO-OAQYLSRUSA-N 1 2 469.545 4.542 40 0 JJABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257331637 570148024 /nfs/dbraw/zinc/14/80/24/570148024.db2.gz XTQZZXQFOZCDIJ-AREMUKBSSA-N 1 2 464.541 4.536 40 0 JJABLO COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000257335091 570148969 /nfs/dbraw/zinc/14/89/69/570148969.db2.gz YIQMBSGLZYXZQP-QFIPXVFZSA-N 1 2 469.545 4.542 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4ccc5ccncc5c4)C3)c2)nc(C)[nH+]1 ZINC000257335567 570149231 /nfs/dbraw/zinc/14/92/31/570149231.db2.gz YKTRPJLNSLEXIX-QFIPXVFZSA-N 1 2 467.573 4.717 40 0 JJABLO COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccc3Cn3cc[nH+]c3)n2)cc1 ZINC000257336646 570149418 /nfs/dbraw/zinc/14/94/18/570149418.db2.gz YPIYURMZCNEHIU-DEOSSOPVSA-N 1 2 469.545 4.808 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000261363409 570167897 /nfs/dbraw/zinc/16/78/97/570167897.db2.gz RNCHOJJTEMKKQP-HXUWFJFHSA-O 1 2 459.979 4.759 40 0 JJABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000261364155 570168341 /nfs/dbraw/zinc/16/83/41/570168341.db2.gz JNYWXNNKYMPDIB-HSZRJFAPSA-O 1 2 463.514 4.561 40 0 JJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000261364082 570168367 /nfs/dbraw/zinc/16/83/67/570168367.db2.gz JCHMYDNKSXZELO-RUZDIDTESA-O 1 2 473.578 4.714 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000261364945 570168881 /nfs/dbraw/zinc/16/88/81/570168881.db2.gz OVKSAUIGRPKBCW-RUZDIDTESA-O 1 2 487.609 4.723 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329035336 570182587 /nfs/dbraw/zinc/18/25/87/570182587.db2.gz RDRYGDYGBFRZKL-HXUWFJFHSA-N 1 2 464.463 5.222 40 0 JJABLO CCNc1nc(Nc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329048248 570183033 /nfs/dbraw/zinc/18/30/33/570183033.db2.gz UIOLSSLZXIVXTD-UHFFFAOYSA-N 1 2 453.262 4.824 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329061734 570183444 /nfs/dbraw/zinc/18/34/44/570183444.db2.gz WSWCWSKABKGFAX-SFHVURJKSA-N 1 2 452.502 5.145 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374627 194109003 /nfs/dbraw/zinc/10/90/03/194109003.db2.gz YFXQTMBWHBOSSR-XMMPIXPASA-N 1 2 474.609 4.822 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374627 194109005 /nfs/dbraw/zinc/10/90/05/194109005.db2.gz YFXQTMBWHBOSSR-XMMPIXPASA-N 1 2 474.609 4.822 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5c(c4)OCO5)cc3n2)c(C)c1 ZINC000020611075 195184745 /nfs/dbraw/zinc/18/47/45/195184745.db2.gz BAWYQYSLJRULLY-UHFFFAOYSA-N 1 2 457.534 4.865 40 0 JJABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057608702 195353516 /nfs/dbraw/zinc/35/35/16/195353516.db2.gz AYQXQQKMFNJAOS-RUZDIDTESA-N 1 2 486.595 4.904 40 0 JJABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057608702 195353517 /nfs/dbraw/zinc/35/35/17/195353517.db2.gz AYQXQQKMFNJAOS-RUZDIDTESA-N 1 2 486.595 4.904 40 0 JJABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057608700 195353677 /nfs/dbraw/zinc/35/36/77/195353677.db2.gz AYQXQQKMFNJAOS-VWLOTQADSA-N 1 2 486.595 4.904 40 0 JJABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057608700 195353680 /nfs/dbraw/zinc/35/36/80/195353680.db2.gz AYQXQQKMFNJAOS-VWLOTQADSA-N 1 2 486.595 4.904 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640877 195354513 /nfs/dbraw/zinc/35/45/13/195354513.db2.gz HBBNMJVHRKIGCU-VWLOTQADSA-N 1 2 472.593 4.792 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640877 195354516 /nfs/dbraw/zinc/35/45/16/195354516.db2.gz HBBNMJVHRKIGCU-VWLOTQADSA-N 1 2 472.593 4.792 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640913 195354738 /nfs/dbraw/zinc/35/47/38/195354738.db2.gz JQUFDKSFSFFPCE-HSZRJFAPSA-N 1 2 478.622 4.853 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640913 195354740 /nfs/dbraw/zinc/35/47/40/195354740.db2.gz JQUFDKSFSFFPCE-HSZRJFAPSA-N 1 2 478.622 4.853 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641107 195354953 /nfs/dbraw/zinc/35/49/53/195354953.db2.gz HVNVTOFKCSRQOJ-VWLOTQADSA-N 1 2 490.583 4.931 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641107 195354956 /nfs/dbraw/zinc/35/49/56/195354956.db2.gz HVNVTOFKCSRQOJ-VWLOTQADSA-N 1 2 490.583 4.931 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641753 195355820 /nfs/dbraw/zinc/35/58/20/195355820.db2.gz XPVPEIPACYUJPX-DHLKQENFSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641753 195355823 /nfs/dbraw/zinc/35/58/23/195355823.db2.gz XPVPEIPACYUJPX-DHLKQENFSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641791 195355986 /nfs/dbraw/zinc/35/59/86/195355986.db2.gz VWUXWAUERQMNDW-GBXCKJPGSA-N 1 2 492.649 4.525 40 0 JJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641791 195355989 /nfs/dbraw/zinc/35/59/89/195355989.db2.gz VWUXWAUERQMNDW-GBXCKJPGSA-N 1 2 492.649 4.525 40 0 JJABLO COc1cccc(-c2csc(N3CC[NH+](CC(=O)Nc4cccc5ccccc54)CC3)n2)c1 ZINC000057688660 195357346 /nfs/dbraw/zinc/35/73/46/195357346.db2.gz DPYQZFHTOFVDTD-UHFFFAOYSA-N 1 2 458.587 4.733 40 0 JJABLO COc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000020503114 524719790 /nfs/dbraw/zinc/71/97/90/524719790.db2.gz FHPQYEHLZPRICV-UHFFFAOYSA-N 1 2 471.605 4.706 40 0 JJABLO Cc1cc2c(cc1Br)C(=O)[C@@](C[NH+]1CCOCC1)(Sc1ccc(Cl)cc1)CO2 ZINC000016284148 525592599 /nfs/dbraw/zinc/59/25/99/525592599.db2.gz KDJOHQUONRDNSM-NRFANRHFSA-N 1 2 482.827 4.849 40 0 JJABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044900635 527371473 /nfs/dbraw/zinc/37/14/73/527371473.db2.gz QQYWOWLTWLJUHM-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000020495053 527385605 /nfs/dbraw/zinc/38/56/05/527385605.db2.gz VEVIZNCZKJOOMC-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO CC(=O)c1ccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)cc1 ZINC000000891498 553829264 /nfs/dbraw/zinc/82/92/64/553829264.db2.gz QQFIYWQCGHWJKH-UHFFFAOYSA-N 1 2 496.596 4.862 40 0 JJABLO O=C(COc1ccc(Cl)cc1)N(CCC[NH+]1CCOCC1)c1nc(-c2ccc(F)cc2)cs1 ZINC000000932872 553871221 /nfs/dbraw/zinc/87/12/21/553871221.db2.gz LQAIDOQGPDEKFD-UHFFFAOYSA-N 1 2 490.000 4.737 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494289 555403909 /nfs/dbraw/zinc/40/39/09/555403909.db2.gz KQJBTWLXBIOFPR-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494289 555403910 /nfs/dbraw/zinc/40/39/10/555403910.db2.gz KQJBTWLXBIOFPR-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494709 555405877 /nfs/dbraw/zinc/40/58/77/555405877.db2.gz ONWNZQBXZDRFHU-VWLOTQADSA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494709 555405882 /nfs/dbraw/zinc/40/58/82/555405882.db2.gz ONWNZQBXZDRFHU-VWLOTQADSA-N 1 2 482.588 4.926 40 0 JJABLO Cc1cc2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498958 555426332 /nfs/dbraw/zinc/42/63/32/555426332.db2.gz QFPLFSQFIYSVHP-AREMUKBSSA-N 1 2 497.603 4.567 40 0 JJABLO Cc1cc2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498958 555426334 /nfs/dbraw/zinc/42/63/34/555426334.db2.gz QFPLFSQFIYSVHP-AREMUKBSSA-N 1 2 497.603 4.567 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499461 555431761 /nfs/dbraw/zinc/43/17/61/555431761.db2.gz PXTTYGXMJMLZJK-UKILVPOCSA-N 1 2 478.641 4.769 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499461 555431766 /nfs/dbraw/zinc/43/17/66/555431766.db2.gz PXTTYGXMJMLZJK-UKILVPOCSA-N 1 2 478.641 4.769 40 0 JJABLO COc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500234 555438115 /nfs/dbraw/zinc/43/81/15/555438115.db2.gz SYCDTEJRHAOARB-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500234 555438118 /nfs/dbraw/zinc/43/81/18/555438118.db2.gz SYCDTEJRHAOARB-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500965 555445833 /nfs/dbraw/zinc/44/58/33/555445833.db2.gz CLJVDSHSPCHWIN-URXFXBBRSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500965 555445835 /nfs/dbraw/zinc/44/58/35/555445835.db2.gz CLJVDSHSPCHWIN-URXFXBBRSA-N 1 2 492.649 4.607 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000013503407 555460947 /nfs/dbraw/zinc/46/09/47/555460947.db2.gz ZVRMXNGNUCWCAC-AREMUKBSSA-N 1 2 469.637 4.895 40 0 JJABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504721 555464613 /nfs/dbraw/zinc/46/46/13/555464613.db2.gz VIYFKZJOVHCLJU-NRFANRHFSA-N 1 2 462.495 4.543 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019941379 555560333 /nfs/dbraw/zinc/56/03/33/555560333.db2.gz WGHLTQOFHLNRMH-HHHXNRCGSA-N 1 2 496.590 4.876 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019941379 555560336 /nfs/dbraw/zinc/56/03/36/555560336.db2.gz WGHLTQOFHLNRMH-HHHXNRCGSA-N 1 2 496.590 4.876 40 0 JJABLO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015675150 555933327 /nfs/dbraw/zinc/93/33/27/555933327.db2.gz MUQCYOVQPABXDF-OFNKIYASSA-N 1 2 464.928 4.823 40 0 biogenic,in-vitro JJABLO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015675150 555933330 /nfs/dbraw/zinc/93/33/30/555933330.db2.gz MUQCYOVQPABXDF-OFNKIYASSA-N 1 2 464.928 4.823 40 0 biogenic,in-vitro JJABLO O=C(c1ccc(C2CCCCC2)cc1)[C@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022861966 555962445 /nfs/dbraw/zinc/96/24/45/555962445.db2.gz QRVZEWYSECPOLM-NSOVKSMOSA-N 1 2 462.634 4.691 40 0 JJABLO COc1ccc(CN(CC[NH+]2CCOCC2)C(=O)c2cc3sccc3n2Cc2ccccc2)cc1 ZINC000026416846 556253478 /nfs/dbraw/zinc/25/34/78/556253478.db2.gz INMWOVNJRVTAKG-UHFFFAOYSA-N 1 2 489.641 4.734 40 0 JJABLO CC(=O)C[C@@H](NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000027904759 556309579 /nfs/dbraw/zinc/30/95/79/556309579.db2.gz TVIHJZQKEIKYOI-AREMUKBSSA-N 1 2 457.643 4.989 40 0 JJABLO O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029490688 556352592 /nfs/dbraw/zinc/35/25/92/556352592.db2.gz KORDOQGFQSCRFN-UHFFFAOYSA-N 1 2 467.525 4.695 40 0 JJABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111824 560061021 /nfs/dbraw/zinc/06/10/21/560061021.db2.gz UMXLBEFUICARPS-UNMCSNQZSA-N 1 2 469.463 4.549 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111824 560061023 /nfs/dbraw/zinc/06/10/23/560061023.db2.gz UMXLBEFUICARPS-UNMCSNQZSA-N 1 2 469.463 4.549 40 0 biogenic,in-vitro JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937219 569638604 /nfs/dbraw/zinc/63/86/04/569638604.db2.gz BCAWPQLXFXWMIY-AOYPEHQESA-N 1 2 492.668 4.961 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937219 569638605 /nfs/dbraw/zinc/63/86/05/569638605.db2.gz BCAWPQLXFXWMIY-AOYPEHQESA-N 1 2 492.668 4.961 40 0 JJABLO Cc1cccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000033937322 569638931 /nfs/dbraw/zinc/63/89/31/569638931.db2.gz RWVCMBZJEHBZEB-ILBGXUMGSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1cccc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000033937322 569638933 /nfs/dbraw/zinc/63/89/33/569638933.db2.gz RWVCMBZJEHBZEB-ILBGXUMGSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1C ZINC000105330968 569852774 /nfs/dbraw/zinc/85/27/74/569852774.db2.gz MOKJCPFUHRAHDJ-SANMLTNESA-N 1 2 489.566 4.621 40 0 JJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2Cl)c1C ZINC000216338484 569878386 /nfs/dbraw/zinc/87/83/86/569878386.db2.gz WKPSFNHMVRXVQP-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)cc1Cl ZINC000223161778 569901592 /nfs/dbraw/zinc/90/15/92/569901592.db2.gz SLPOIYXTLRVKBJ-ZEQRLZLVSA-N 1 2 483.037 4.608 40 0 JJABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C1CCCCC1 ZINC000223180509 569902316 /nfs/dbraw/zinc/90/23/16/569902316.db2.gz UWAIKRSFVDMPNU-FTJBHMTQSA-N 1 2 481.710 4.700 40 0 JJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199979 569903168 /nfs/dbraw/zinc/90/31/68/569903168.db2.gz BQDMDBWEWUGITA-ZEQRLZLVSA-N 1 2 483.037 4.690 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224023159 569930885 /nfs/dbraw/zinc/93/08/85/569930885.db2.gz BVMPRAIIXRRVMF-UIOOFZCWSA-N 1 2 483.597 4.844 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 ZINC000224611543 569950682 /nfs/dbraw/zinc/95/06/82/569950682.db2.gz ZBYJQPCSAKANOX-LOSJGSFVSA-N 1 2 455.587 4.821 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)cc1 ZINC000225510793 570001205 /nfs/dbraw/zinc/00/12/05/570001205.db2.gz JNPMWCACZOMYNR-SVBPBHIXSA-N 1 2 496.640 4.550 40 0 JJABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000408672315 570008213 /nfs/dbraw/zinc/00/82/13/570008213.db2.gz VQJDGRMXUPECMX-UHFFFAOYSA-N 1 2 467.363 4.633 40 0 JJABLO O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225806029 570022730 /nfs/dbraw/zinc/02/27/30/570022730.db2.gz LRKVZVWOUOJRPT-VMPITWQZSA-N 1 2 470.495 4.546 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000253500359 570101494 /nfs/dbraw/zinc/10/14/94/570101494.db2.gz GRBUMOPYVQVOBD-ILBGXUMGSA-N 1 2 494.640 4.963 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000253500359 570101495 /nfs/dbraw/zinc/10/14/95/570101495.db2.gz GRBUMOPYVQVOBD-ILBGXUMGSA-N 1 2 494.640 4.963 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000253500379 570101585 /nfs/dbraw/zinc/10/15/85/570101585.db2.gz ILKVRSZPEAXSEL-FYYLOGMGSA-N 1 2 466.630 4.767 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000253500379 570101586 /nfs/dbraw/zinc/10/15/86/570101586.db2.gz ILKVRSZPEAXSEL-FYYLOGMGSA-N 1 2 466.630 4.767 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500381 570101603 /nfs/dbraw/zinc/10/16/03/570101603.db2.gz ILUDZJHIBYAHMI-FYYLOGMGSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500381 570101604 /nfs/dbraw/zinc/10/16/04/570101604.db2.gz ILUDZJHIBYAHMI-FYYLOGMGSA-N 1 2 466.630 4.821 40 0 JJABLO O=C(Nc1ccccc1)/C(=C/c1cccnc1Cl)C(=O)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000254566312 570105922 /nfs/dbraw/zinc/10/59/22/570105922.db2.gz KDIFLEWJUGTCGX-CJNJCCEGSA-N 1 2 472.976 4.572 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1Oc1ccccc1 ZINC000257213963 570112156 /nfs/dbraw/zinc/11/21/56/570112156.db2.gz CJWDCWSTGPUIEI-JYFHCDHNSA-N 1 2 483.609 4.818 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1Oc1ccccc1 ZINC000257213963 570112157 /nfs/dbraw/zinc/11/21/57/570112157.db2.gz CJWDCWSTGPUIEI-JYFHCDHNSA-N 1 2 483.609 4.818 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000257218893 570113865 /nfs/dbraw/zinc/11/38/65/570113865.db2.gz DETUAVQXLKQLBA-UHFFFAOYSA-N 1 2 455.602 4.524 40 0 JJABLO COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)CC[C@H]3O[C@@H]21 ZINC000257224826 570115514 /nfs/dbraw/zinc/11/55/14/570115514.db2.gz FDOCIJFUMLRZAH-PFHLPCBSSA-N 1 2 487.600 4.720 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257230345 570117088 /nfs/dbraw/zinc/11/70/88/570117088.db2.gz GBVYHFOFOIFKQX-OAQYLSRUSA-N 1 2 457.509 4.673 40 0 JJABLO Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)c1 ZINC000257236298 570119040 /nfs/dbraw/zinc/11/90/40/570119040.db2.gz HBNOZBNXDHMFRZ-JOCHJYFZSA-N 1 2 453.546 4.842 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(F)c2)Cc2ccccc2Cl)C1 ZINC000257245075 570121533 /nfs/dbraw/zinc/12/15/33/570121533.db2.gz INZWEHZUOWVQRK-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(F)c2)Cc2ccccc2Cl)C1 ZINC000257245075 570121534 /nfs/dbraw/zinc/12/15/34/570121534.db2.gz INZWEHZUOWVQRK-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccccc2Br)C1 ZINC000257261628 570126873 /nfs/dbraw/zinc/12/68/73/570126873.db2.gz LIECPDPIKAVSOF-JWQCQUIFSA-N 1 2 495.417 4.833 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccccc2Br)C1 ZINC000257261628 570126874 /nfs/dbraw/zinc/12/68/74/570126874.db2.gz LIECPDPIKAVSOF-JWQCQUIFSA-N 1 2 495.417 4.833 40 0 JJABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257263480 570127471 /nfs/dbraw/zinc/12/74/71/570127471.db2.gz LQBQOCSZZFYKIV-DHLKQENFSA-N 1 2 471.598 4.839 40 0 JJABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257263480 570127473 /nfs/dbraw/zinc/12/74/73/570127473.db2.gz LQBQOCSZZFYKIV-DHLKQENFSA-N 1 2 471.598 4.839 40 0 JJABLO Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccccc4C[NH+]4CCOCC4)C3)n2)c1 ZINC000257266267 570128423 /nfs/dbraw/zinc/12/84/23/570128423.db2.gz MCFXIGIAOKLFAV-AREMUKBSSA-N 1 2 469.629 4.833 40 0 JJABLO Cn1c[nH+]cc1-c1cccc(C2CCN(C(=O)c3ccnc(Cc4cccc(F)c4)c3)CC2)n1 ZINC000257267384 570128641 /nfs/dbraw/zinc/12/86/41/570128641.db2.gz MHBRILPVTBVFNU-UHFFFAOYSA-N 1 2 455.537 4.627 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257278255 570132215 /nfs/dbraw/zinc/13/22/15/570132215.db2.gz OBNHXKJEBSZUNJ-JTHBVZDNSA-N 1 2 468.491 4.714 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257278255 570132216 /nfs/dbraw/zinc/13/22/16/570132216.db2.gz OBNHXKJEBSZUNJ-JTHBVZDNSA-N 1 2 468.491 4.714 40 0 JJABLO CCCc1ccc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)o1 ZINC000257291743 570136150 /nfs/dbraw/zinc/13/61/50/570136150.db2.gz QIKYRXWFBXWLOM-SANMLTNESA-N 1 2 475.029 4.938 40 0 JJABLO CCCc1ccc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)o1 ZINC000257291743 570136152 /nfs/dbraw/zinc/13/61/52/570136152.db2.gz QIKYRXWFBXWLOM-SANMLTNESA-N 1 2 475.029 4.938 40 0 JJABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)c(Cl)c1 ZINC000257307176 570140525 /nfs/dbraw/zinc/14/05/25/570140525.db2.gz SXNHJAPAFAKZRU-LOSJGSFVSA-N 1 2 497.039 4.591 40 0 JJABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)c(Cl)c1 ZINC000257307176 570140526 /nfs/dbraw/zinc/14/05/26/570140526.db2.gz SXNHJAPAFAKZRU-LOSJGSFVSA-N 1 2 497.039 4.591 40 0 JJABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1 ZINC000257310327 570141563 /nfs/dbraw/zinc/14/15/63/570141563.db2.gz UEQLJHNGTNWTNQ-HXUWFJFHSA-N 1 2 459.525 4.567 40 0 JJABLO Cc1cc(OCC(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)c2cccc(C)c2[nH+]1 ZINC000257323048 570145407 /nfs/dbraw/zinc/14/54/07/570145407.db2.gz WIOBZNGFNRATCN-LBNVMWSVSA-N 1 2 480.580 4.827 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)nc1-c1ccccc1 ZINC000257326905 570146529 /nfs/dbraw/zinc/14/65/29/570146529.db2.gz WZBSEXCBZNQHBK-HOFKKMOUSA-N 1 2 477.630 4.897 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)nc1-c1ccccc1 ZINC000257326905 570146530 /nfs/dbraw/zinc/14/65/30/570146530.db2.gz WZBSEXCBZNQHBK-HOFKKMOUSA-N 1 2 477.630 4.897 40 0 JJABLO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@H]3C[C@H]21 ZINC000257338132 570149813 /nfs/dbraw/zinc/14/98/13/570149813.db2.gz YWASOVQKHNLDCG-APJZGJRSSA-N 1 2 457.574 4.711 40 0 JJABLO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257341988 570151009 /nfs/dbraw/zinc/15/10/09/570151009.db2.gz ZMQFNLFRVZMAIM-PHFAJRBNSA-N 1 2 496.655 4.937 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000409176380 570157091 /nfs/dbraw/zinc/15/70/91/570157091.db2.gz MAKZBIHAZOBECA-JOCHJYFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N2NC=[NH+]C2=N1 ZINC000409176380 570157092 /nfs/dbraw/zinc/15/70/92/570157092.db2.gz MAKZBIHAZOBECA-JOCHJYFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)N2NC=NC2=[NH+]1 ZINC000409182154 570159779 /nfs/dbraw/zinc/15/97/79/570159779.db2.gz ILRZBALXWVTTQE-QFIPXVFZSA-N 1 2 497.393 4.905 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)N2NC=[NH+]C2=N1 ZINC000409182154 570159780 /nfs/dbraw/zinc/15/97/80/570159780.db2.gz ILRZBALXWVTTQE-QFIPXVFZSA-N 1 2 497.393 4.905 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3cccc(C)c3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409183130 570160118 /nfs/dbraw/zinc/16/01/18/570160118.db2.gz RMLUQYVUVVLGJL-RUZDIDTESA-N 1 2 476.577 4.849 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3cccc(C)c3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409183130 570160120 /nfs/dbraw/zinc/16/01/20/570160120.db2.gz RMLUQYVUVVLGJL-RUZDIDTESA-N 1 2 476.577 4.849 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3cccc(C)c3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409183132 570160217 /nfs/dbraw/zinc/16/02/17/570160217.db2.gz RMLUQYVUVVLGJL-VWLOTQADSA-N 1 2 476.577 4.849 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3cccc(C)c3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409183132 570160218 /nfs/dbraw/zinc/16/02/18/570160218.db2.gz RMLUQYVUVVLGJL-VWLOTQADSA-N 1 2 476.577 4.849 40 0 JJABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000261361905 570167448 /nfs/dbraw/zinc/16/74/48/570167448.db2.gz BKYQITGKYRAFKH-DEOSSOPVSA-O 1 2 465.562 4.792 40 0 JJABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cc(O)ccc1Br ZINC000261362241 570167573 /nfs/dbraw/zinc/16/75/73/570167573.db2.gz CKFKPALRWCXSQU-OAQYLSRUSA-O 1 2 494.394 4.870 40 0 JJABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4F)n[n+]32)cc(Cl)c1O ZINC000261362335 570167605 /nfs/dbraw/zinc/16/76/05/570167605.db2.gz CYLBTQZXRMPJPU-JOCHJYFZSA-O 1 2 497.959 4.908 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC)c1 ZINC000261364862 570168730 /nfs/dbraw/zinc/16/87/30/570168730.db2.gz OFQOLOVTHGJRPJ-XMMPIXPASA-O 1 2 465.599 4.731 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000261364870 570168763 /nfs/dbraw/zinc/16/87/63/570168763.db2.gz OHQMXAUEWPQPBK-QHCPKHFHSA-O 1 2 479.969 4.994 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1c(Cl)cccc1Cl ZINC000261364875 570168770 /nfs/dbraw/zinc/16/87/70/570168770.db2.gz OJOVPMLSFABSCA-FQEVSTJZSA-O 1 2 462.382 4.859 40 0 JJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccc(Cl)c1Cl ZINC000261365376 570169055 /nfs/dbraw/zinc/16/90/55/570169055.db2.gz RTGFFSANKANIRQ-HXUWFJFHSA-O 1 2 462.382 4.859 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C(=O)OC)cc1 ZINC000261365595 570169081 /nfs/dbraw/zinc/16/90/81/570169081.db2.gz TZPHKLSRCHNWQY-XMMPIXPASA-O 1 2 493.609 4.509 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2C(C)=Cc1ccccc1 ZINC000261366342 570169545 /nfs/dbraw/zinc/16/95/45/570169545.db2.gz YZJSWCCZYQFPLX-VKXNWWILSA-O 1 2 498.426 4.980 40 0 JJABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000328964568 570179682 /nfs/dbraw/zinc/17/96/82/570179682.db2.gz BVXOKZDXRZZXMA-NRFANRHFSA-N 1 2 460.500 5.392 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328983586 570180542 /nfs/dbraw/zinc/18/05/42/570180542.db2.gz HHENIVMELUYRBP-OAQYLSRUSA-N 1 2 460.500 5.126 40 0 JJABLO CC(C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329002263 570181086 /nfs/dbraw/zinc/18/10/86/570181086.db2.gz KHGAQBJJAWPACJ-UHFFFAOYSA-N 1 2 464.738 4.809 40 0 JJABLO CNc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329007249 570181333 /nfs/dbraw/zinc/18/13/33/570181333.db2.gz LKBNXUIQWJUNEO-UHFFFAOYSA-N 1 2 458.362 4.699 40 0 JJABLO OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329006268 570181372 /nfs/dbraw/zinc/18/13/72/570181372.db2.gz LBPXDJOPDZLZOV-UHFFFAOYSA-N 1 2 456.390 4.563 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329039791 570182784 /nfs/dbraw/zinc/18/27/84/570182784.db2.gz SAJWMCIBFYYVNW-FQEVSTJZSA-N 1 2 482.453 5.361 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329040155 570182790 /nfs/dbraw/zinc/18/27/90/570182790.db2.gz SAJWMCIBFYYVNW-HXUWFJFHSA-N 1 2 482.453 5.361 40 0 JJABLO FC(F)(F)Oc1cccc(-c2cc(NCc3cccc(Br)c3)nc(NC3CC3)[nH+]2)c1 ZINC000329070909 570184034 /nfs/dbraw/zinc/18/40/34/570184034.db2.gz ZLBLZISYWRZNAV-UHFFFAOYSA-N 1 2 479.300 4.835 40 0 JJABLO CC(C)(C)c1csc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2Cl)n1 ZINC000001346548 194099197 /nfs/dbraw/zinc/09/91/97/194099197.db2.gz FPCWYDZYKIHHRN-UHFFFAOYSA-N 1 2 459.000 4.954 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374375 194108620 /nfs/dbraw/zinc/10/86/20/194108620.db2.gz RLVNRTQFNGZFGM-XMMPIXPASA-N 1 2 474.609 4.822 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374375 194108623 /nfs/dbraw/zinc/10/86/23/194108623.db2.gz RLVNRTQFNGZFGM-XMMPIXPASA-N 1 2 474.609 4.822 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374350 194108706 /nfs/dbraw/zinc/10/87/06/194108706.db2.gz AFADQROEHZNFBD-QHCPKHFHSA-N 1 2 478.572 4.571 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374350 194108708 /nfs/dbraw/zinc/10/87/08/194108708.db2.gz AFADQROEHZNFBD-QHCPKHFHSA-N 1 2 478.572 4.571 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374300 194108724 /nfs/dbraw/zinc/10/87/24/194108724.db2.gz MGKFWBSJWGOBEH-RUZDIDTESA-N 1 2 486.551 4.757 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374300 194108726 /nfs/dbraw/zinc/10/87/26/194108726.db2.gz MGKFWBSJWGOBEH-RUZDIDTESA-N 1 2 486.551 4.757 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374477 194109224 /nfs/dbraw/zinc/10/92/24/194109224.db2.gz KUSLNVUVTLEAAP-DEOSSOPVSA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374477 194109227 /nfs/dbraw/zinc/10/92/27/194109227.db2.gz KUSLNVUVTLEAAP-DEOSSOPVSA-N 1 2 474.609 4.740 40 0 JJABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000008682522 194475928 /nfs/dbraw/zinc/47/59/28/194475928.db2.gz IWPWPOQEYJTQHH-WPWBMXPQSA-N 1 2 474.598 4.597 40 0 JJABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000008682522 194475931 /nfs/dbraw/zinc/47/59/31/194475931.db2.gz IWPWPOQEYJTQHH-WPWBMXPQSA-N 1 2 474.598 4.597 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2ccc(C)cc2[nH]c1=O ZINC000057589600 195351424 /nfs/dbraw/zinc/35/14/24/195351424.db2.gz PKYFZTQALLOIJB-RUZDIDTESA-N 1 2 456.594 4.940 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2ccc(C)cc2[nH]c1=O ZINC000057589600 195351428 /nfs/dbraw/zinc/35/14/28/195351428.db2.gz PKYFZTQALLOIJB-RUZDIDTESA-N 1 2 456.594 4.940 40 0 JJABLO CCCC[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057613759 195353668 /nfs/dbraw/zinc/35/36/68/195353668.db2.gz LGSOZLPAOMPLNQ-QFIPXVFZSA-N 1 2 461.639 4.579 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640909 195354665 /nfs/dbraw/zinc/35/46/65/195354665.db2.gz JQUFDKSFSFFPCE-QHCPKHFHSA-N 1 2 478.622 4.853 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640909 195354667 /nfs/dbraw/zinc/35/46/67/195354667.db2.gz JQUFDKSFSFFPCE-QHCPKHFHSA-N 1 2 478.622 4.853 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640887 195354795 /nfs/dbraw/zinc/35/47/95/195354795.db2.gz SPQHWVNZSZIEST-RUZDIDTESA-N 1 2 490.583 4.931 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640887 195354797 /nfs/dbraw/zinc/35/47/97/195354797.db2.gz SPQHWVNZSZIEST-RUZDIDTESA-N 1 2 490.583 4.931 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641110 195355057 /nfs/dbraw/zinc/35/50/57/195355057.db2.gz HVNVTOFKCSRQOJ-RUZDIDTESA-N 1 2 490.583 4.931 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641110 195355060 /nfs/dbraw/zinc/35/50/60/195355060.db2.gz HVNVTOFKCSRQOJ-RUZDIDTESA-N 1 2 490.583 4.931 40 0 JJABLO CC(C)(C)c1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCN(c5ncccn5)CC4)cc3)cc2c1 ZINC000057712581 195357942 /nfs/dbraw/zinc/35/79/42/195357942.db2.gz CWYULWNPPUNHRE-UHFFFAOYSA-N 1 2 468.605 4.554 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2Cl)cc1C ZINC000022527546 525297112 /nfs/dbraw/zinc/29/71/12/525297112.db2.gz MBXWUGDIHYHAPM-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282587 525476307 /nfs/dbraw/zinc/47/63/07/525476307.db2.gz UYAYBYDLUPZJLS-MHZLTWQESA-N 1 2 498.631 4.682 40 0 JJABLO Cc1[nH+]cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000041124309 527298105 /nfs/dbraw/zinc/29/81/05/527298105.db2.gz LZICRROQGSHENH-SFHVURJKSA-N 1 2 475.549 4.743 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000001334832 553949550 /nfs/dbraw/zinc/94/95/50/553949550.db2.gz RIPXTVCAQJJNDV-ZJSXRUAMSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000001334832 553949552 /nfs/dbraw/zinc/94/95/52/553949552.db2.gz RIPXTVCAQJJNDV-ZJSXRUAMSA-N 1 2 480.657 4.655 40 0 JJABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006409826 554535084 /nfs/dbraw/zinc/53/50/84/554535084.db2.gz LCTAHWVDAIZVOX-MHZLTWQESA-N 1 2 482.632 4.982 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494707 555405937 /nfs/dbraw/zinc/40/59/37/555405937.db2.gz ONWNZQBXZDRFHU-RUZDIDTESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494707 555405942 /nfs/dbraw/zinc/40/59/42/555405942.db2.gz ONWNZQBXZDRFHU-RUZDIDTESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495157 555407211 /nfs/dbraw/zinc/40/72/11/555407211.db2.gz HWZLRLLJTSAULL-SANMLTNESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495157 555407214 /nfs/dbraw/zinc/40/72/14/555407214.db2.gz HWZLRLLJTSAULL-SANMLTNESA-N 1 2 498.587 4.626 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498445 555420663 /nfs/dbraw/zinc/42/06/63/555420663.db2.gz BCAWPQLXFXWMIY-RSXGOPAZSA-N 1 2 492.668 4.961 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498445 555420665 /nfs/dbraw/zinc/42/06/65/555420665.db2.gz BCAWPQLXFXWMIY-RSXGOPAZSA-N 1 2 492.668 4.961 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498444 555420787 /nfs/dbraw/zinc/42/07/87/555420787.db2.gz BCAWPQLXFXWMIY-AHWVRZQESA-N 1 2 492.668 4.961 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498444 555420792 /nfs/dbraw/zinc/42/07/92/555420792.db2.gz BCAWPQLXFXWMIY-AHWVRZQESA-N 1 2 492.668 4.961 40 0 JJABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498962 555426456 /nfs/dbraw/zinc/42/64/56/555426456.db2.gz KTHVVHRROQYZCZ-RUZDIDTESA-N 1 2 486.576 4.765 40 0 JJABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498962 555426457 /nfs/dbraw/zinc/42/64/57/555426457.db2.gz KTHVVHRROQYZCZ-RUZDIDTESA-N 1 2 486.576 4.765 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499022 555427171 /nfs/dbraw/zinc/42/71/71/555427171.db2.gz BBTKXVPWIMYQCZ-WIOPSUGQSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499022 555427172 /nfs/dbraw/zinc/42/71/72/555427172.db2.gz BBTKXVPWIMYQCZ-WIOPSUGQSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499093 555428108 /nfs/dbraw/zinc/42/81/08/555428108.db2.gz ITACMDRJWSVYOJ-VWLOTQADSA-N 1 2 486.576 4.765 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499093 555428110 /nfs/dbraw/zinc/42/81/10/555428110.db2.gz ITACMDRJWSVYOJ-VWLOTQADSA-N 1 2 486.576 4.765 40 0 JJABLO COc1ccccc1C[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)[C@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013500235 555438168 /nfs/dbraw/zinc/43/81/68/555438168.db2.gz NFDJVXAAGACTEZ-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccccc1C[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)[C@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013500235 555438170 /nfs/dbraw/zinc/43/81/70/555438170.db2.gz NFDJVXAAGACTEZ-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500481 555440504 /nfs/dbraw/zinc/44/05/04/555440504.db2.gz CNLMMQHWTACJHD-DEOSSOPVSA-N 1 2 488.617 4.925 40 0 JJABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500481 555440507 /nfs/dbraw/zinc/44/05/07/555440507.db2.gz CNLMMQHWTACJHD-DEOSSOPVSA-N 1 2 488.617 4.925 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500888 555444747 /nfs/dbraw/zinc/44/47/47/555444747.db2.gz AVQLVFWNECUYQN-XZOQPEGZSA-N 1 2 480.657 4.799 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500888 555444748 /nfs/dbraw/zinc/44/47/48/555444748.db2.gz AVQLVFWNECUYQN-XZOQPEGZSA-N 1 2 480.657 4.799 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500895 555445070 /nfs/dbraw/zinc/44/50/70/555445070.db2.gz KPTINNIGSLQSFT-UPVQGACJSA-N 1 2 496.656 4.581 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500895 555445074 /nfs/dbraw/zinc/44/50/74/555445074.db2.gz KPTINNIGSLQSFT-UPVQGACJSA-N 1 2 496.656 4.581 40 0 JJABLO O=C(C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013561730 555494814 /nfs/dbraw/zinc/49/48/14/555494814.db2.gz JMJKSBWVDYJUPM-UHFFFAOYSA-N 1 2 456.736 4.806 40 0 JJABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C3CCCC3)c3ccc4ncccc4c3)CC2)c1 ZINC000020098443 555633215 /nfs/dbraw/zinc/63/32/15/555633215.db2.gz BMLIGWLMZLWKNG-HHHXNRCGSA-N 1 2 467.621 4.865 40 0 JJABLO CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3C)nc2cc1C ZINC000014270953 555764440 /nfs/dbraw/zinc/76/44/40/555764440.db2.gz QAMMKDHAIQMNOY-UHFFFAOYSA-N 1 2 452.628 4.887 40 0 JJABLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000012136606 555913775 /nfs/dbraw/zinc/91/37/75/555913775.db2.gz ZHGLTXZFIKPQKB-YXTQBTIXSA-N 1 2 473.662 4.814 40 0 JJABLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000012136607 555913824 /nfs/dbraw/zinc/91/38/24/555913824.db2.gz ZHGLTXZFIKPQKB-JYLXEMOASA-N 1 2 473.662 4.814 40 0 JJABLO CSc1ccccc1C(=O)Nc1nc(=O)c2c3c(sc2[nH]1)C[N@@H+](Cc1ccccc1)CC3 ZINC000022571000 555937450 /nfs/dbraw/zinc/93/74/50/555937450.db2.gz HTLKTOOQOPPTDB-UHFFFAOYSA-N 1 2 462.600 4.517 40 0 JJABLO CSc1ccccc1C(=O)Nc1nc(=O)c2c3c(sc2[nH]1)C[N@H+](Cc1ccccc1)CC3 ZINC000022571000 555937452 /nfs/dbraw/zinc/93/74/52/555937452.db2.gz HTLKTOOQOPPTDB-UHFFFAOYSA-N 1 2 462.600 4.517 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccco4)cc3n2)cc1 ZINC000022710740 555945708 /nfs/dbraw/zinc/94/57/08/555945708.db2.gz QTJHJZBUMFXMKM-OUKQBFOZSA-N 1 2 474.590 4.695 40 0 JJABLO COc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 ZINC000015707316 555952968 /nfs/dbraw/zinc/95/29/68/555952968.db2.gz JPKMUGWPYDIQQJ-IBGZPJMESA-N 1 2 468.876 4.592 40 0 biogenic,in-vitro JJABLO COc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 ZINC000015707316 555952969 /nfs/dbraw/zinc/95/29/69/555952969.db2.gz JPKMUGWPYDIQQJ-IBGZPJMESA-N 1 2 468.876 4.592 40 0 biogenic,in-vitro JJABLO COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000025854922 556237604 /nfs/dbraw/zinc/23/76/04/556237604.db2.gz LFVLYQSTMXZSDO-UHFFFAOYSA-N 1 2 487.987 4.795 40 0 JJABLO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781405 556262316 /nfs/dbraw/zinc/26/23/16/556262316.db2.gz DJOMZEVTKDNUNW-RUZDIDTESA-N 1 2 451.010 4.795 40 0 JJABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1C ZINC000019234217 556336349 /nfs/dbraw/zinc/33/63/49/556336349.db2.gz SVHSZULLDTZTBJ-SANMLTNESA-N 1 2 468.605 4.784 40 0 JJABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1C ZINC000019234217 556336352 /nfs/dbraw/zinc/33/63/52/556336352.db2.gz SVHSZULLDTZTBJ-SANMLTNESA-N 1 2 468.605 4.784 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526638 556351424 /nfs/dbraw/zinc/35/14/24/556351424.db2.gz OUZAPADDEHYPNG-SANMLTNESA-N 1 2 482.563 4.622 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526638 556351430 /nfs/dbraw/zinc/35/14/30/556351430.db2.gz OUZAPADDEHYPNG-SANMLTNESA-N 1 2 482.563 4.622 40 0 JJABLO O=S1(=O)C[C@H]2[C@@H](C1)[NH+]=C(SCc1ccc(Cl)cc1Cl)N2Cc1ccc(Cl)cc1 ZINC000032508672 556443463 /nfs/dbraw/zinc/44/34/63/556443463.db2.gz DVXIMOKPTQQOOK-MSOLQXFVSA-N 1 2 475.850 4.917 40 0 JJABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccc(Cl)cc3Cl)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508670 556443584 /nfs/dbraw/zinc/44/35/84/556443584.db2.gz DVXIMOKPTQQOOK-ROUUACIJSA-N 1 2 475.850 4.917 40 0 JJABLO C[NH+]1CCN(C(=O)c2ccc3oc(-c4cc(Cl)c(Br)c(Cl)c4)nc3c2)CC1 ZINC000059843014 569607843 /nfs/dbraw/zinc/60/78/43/569607843.db2.gz RODGAIRFUMDQNF-UHFFFAOYSA-N 1 2 469.166 4.952 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937347 569639137 /nfs/dbraw/zinc/63/91/37/569639137.db2.gz IULVWCWWUAZONI-JWQCQUIFSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937347 569639138 /nfs/dbraw/zinc/63/91/38/569639138.db2.gz IULVWCWWUAZONI-JWQCQUIFSA-N 1 2 486.620 4.546 40 0 JJABLO Cc1[nH+]c2ccccc2n1CC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1 ZINC000035312491 569680180 /nfs/dbraw/zinc/68/01/80/569680180.db2.gz WFRHPPMRBTVYDA-UHFFFAOYSA-N 1 2 498.583 4.546 40 0 JJABLO CC(C)OC(=O)Cn1c(CCCC[C@@H]2Nc3ccccc3N2CC(=O)OC(C)C)[nH+]c2ccccc21 ZINC000082086765 569708134 /nfs/dbraw/zinc/70/81/34/569708134.db2.gz LQVAKSLHLNCZQH-RUZDIDTESA-N 1 2 492.620 4.911 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(Cl)cc1 ZINC000138146116 569865722 /nfs/dbraw/zinc/86/57/22/569865722.db2.gz WSDIMWLHTKTCIQ-UHFFFAOYSA-N 1 2 494.975 4.614 40 0 JJABLO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000195529390 569873553 /nfs/dbraw/zinc/87/35/53/569873553.db2.gz ZHGLTXZFIKPQKB-GHDARCQNSA-N 1 2 473.662 4.814 40 0 JJABLO Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223161271 569901574 /nfs/dbraw/zinc/90/15/74/569901574.db2.gz CNMHZOGQBWWNCB-ZEQRLZLVSA-N 1 2 483.037 4.608 40 0 JJABLO Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1 ZINC000223179321 569902291 /nfs/dbraw/zinc/90/22/91/569902291.db2.gz CFBMKWUQHNBJMP-DQEYMECFSA-N 1 2 494.686 4.829 40 0 JJABLO Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1Cl ZINC000223204590 569903396 /nfs/dbraw/zinc/90/33/96/569903396.db2.gz PHPZOVLHXAOCGP-DQEYMECFSA-N 1 2 497.064 4.998 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CSc1ccc(C)cc1 ZINC000224341284 569941233 /nfs/dbraw/zinc/94/12/33/569941233.db2.gz RXCGLUZSGDJBBT-UHFFFAOYSA-N 1 2 490.625 4.983 40 0 JJABLO O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408625409 569980183 /nfs/dbraw/zinc/98/01/83/569980183.db2.gz UUSYJMMFRUHPGE-KRDIIPNCSA-N 1 2 487.625 4.525 40 0 JJABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(C(F)(F)F)cc2)c(OC)cc1Cl ZINC000408628280 569981384 /nfs/dbraw/zinc/98/13/84/569981384.db2.gz VVHPZMNWRMHBKJ-LJQANCHMSA-N 1 2 493.873 4.548 40 0 JJABLO O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225724317 570017869 /nfs/dbraw/zinc/01/78/69/570017869.db2.gz HZQJFVQJZGLZHH-UHFFFAOYSA-N 1 2 471.988 4.589 40 0 JJABLO COc1ccc(-c2nnsc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000225763144 570020680 /nfs/dbraw/zinc/02/06/80/570020680.db2.gz ICBLYQJYYROLBZ-UHFFFAOYSA-N 1 2 470.598 4.761 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000408704461 570024006 /nfs/dbraw/zinc/02/40/06/570024006.db2.gz NVRMPHMCOCZLOS-RUZDIDTESA-N 1 2 485.519 4.585 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(OCc3cccc(C)c3)cc2)cc1 ZINC000408704783 570024211 /nfs/dbraw/zinc/02/42/11/570024211.db2.gz SVFBIQOMMLSESE-SANMLTNESA-N 1 2 481.556 4.755 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000408704841 570024254 /nfs/dbraw/zinc/02/42/54/570024254.db2.gz UEXTYCDTWVHXLL-AREMUKBSSA-N 1 2 481.556 4.755 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000257201736 570108321 /nfs/dbraw/zinc/10/83/21/570108321.db2.gz AIVXFXREYAVVGV-MHZLTWQESA-N 1 2 459.565 4.621 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257203001 570108655 /nfs/dbraw/zinc/10/86/55/570108655.db2.gz AOFJDCQBSLLZEK-XMMPIXPASA-N 1 2 462.981 4.607 40 0 JJABLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C1)oc1ccccc12 ZINC000257207970 570110278 /nfs/dbraw/zinc/11/02/78/570110278.db2.gz BKDAAOTVCULWHF-BDYUSTAISA-N 1 2 478.520 4.577 40 0 JJABLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C1)oc1ccccc12 ZINC000257207970 570110279 /nfs/dbraw/zinc/11/02/79/570110279.db2.gz BKDAAOTVCULWHF-BDYUSTAISA-N 1 2 478.520 4.577 40 0 JJABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1 ZINC000257217023 570113193 /nfs/dbraw/zinc/11/31/93/570113193.db2.gz CXDLZWNRWUWYBP-UHFFFAOYSA-N 1 2 457.582 4.503 40 0 JJABLO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257217039 570113212 /nfs/dbraw/zinc/11/32/12/570113212.db2.gz CXEGFRFHRJPGDE-ZJSXRUAMSA-N 1 2 472.010 4.729 40 0 JJABLO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257217039 570113213 /nfs/dbraw/zinc/11/32/13/570113213.db2.gz CXEGFRFHRJPGDE-ZJSXRUAMSA-N 1 2 472.010 4.729 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257231792 570117558 /nfs/dbraw/zinc/11/75/58/570117558.db2.gz GIGKILHLVOPJOL-OAQYLSRUSA-N 1 2 457.509 4.673 40 0 JJABLO CC(C)CN1C(=O)CCC[C@]12CN(C(=O)c1ccccc1Cn1cc[nH+]c1)C[C@H]2c1ccccc1 ZINC000257235138 570118589 /nfs/dbraw/zinc/11/85/89/570118589.db2.gz GWPQBTVNWXLBTL-LITSAYRRSA-N 1 2 470.617 4.578 40 0 JJABLO COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccccc4Cn4cc[nH+]c4)C3)n2)c1 ZINC000257249274 570122882 /nfs/dbraw/zinc/12/28/82/570122882.db2.gz JHNQOHZZPXZRMR-NRFANRHFSA-N 1 2 469.545 4.542 40 0 JJABLO Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4C[NH+]4CCOCC4)C3)n2)c1 ZINC000257249082 570122895 /nfs/dbraw/zinc/12/28/95/570122895.db2.gz JGTGIOBYBPBVEH-VWLOTQADSA-N 1 2 455.602 4.909 40 0 JJABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257271402 570130042 /nfs/dbraw/zinc/13/00/42/570130042.db2.gz MYEAGERIMPXYGY-IGKIAQTJSA-N 1 2 495.620 4.652 40 0 JJABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257271402 570130044 /nfs/dbraw/zinc/13/00/44/570130044.db2.gz MYEAGERIMPXYGY-IGKIAQTJSA-N 1 2 495.620 4.652 40 0 JJABLO COc1cc(C(=O)N2CCC[C@H](Cc3cccn4cc[nH+]c34)CC2)ccc1OCc1ccccn1 ZINC000257279544 570132543 /nfs/dbraw/zinc/13/25/43/570132543.db2.gz OHDMGHYOPUGZGG-NRFANRHFSA-N 1 2 470.573 4.802 40 0 JJABLO Cc1cc(Nc2ccc(F)cn2)nc(C2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000257285112 570134193 /nfs/dbraw/zinc/13/41/93/570134193.db2.gz PFSKFHYGFADTBZ-UHFFFAOYSA-N 1 2 488.489 4.900 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N2NC=NC2=[NH+]1 ZINC000409182021 570159633 /nfs/dbraw/zinc/15/96/33/570159633.db2.gz HWMAKNOQWWVXLY-HSZRJFAPSA-N 1 2 482.968 4.804 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N2NC=[NH+]C2=N1 ZINC000409182021 570159635 /nfs/dbraw/zinc/15/96/35/570159635.db2.gz HWMAKNOQWWVXLY-HSZRJFAPSA-N 1 2 482.968 4.804 40 0 JJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000261363561 570168117 /nfs/dbraw/zinc/16/81/17/570168117.db2.gz HNIHZITWFMQIBE-FQEVSTJZSA-O 1 2 496.414 4.764 40 0 JJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1c(OC)ccc2ccccc21 ZINC000261364083 570168401 /nfs/dbraw/zinc/16/84/01/570168401.db2.gz JCHMYDNKSXZELO-VWLOTQADSA-O 1 2 473.578 4.714 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Br)s1 ZINC000261365146 570168889 /nfs/dbraw/zinc/16/88/89/570168889.db2.gz QJFJALAYLBKKQP-IBGZPJMESA-O 1 2 492.444 4.766 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)ccc1OC ZINC000261365300 570169028 /nfs/dbraw/zinc/16/90/28/570169028.db2.gz RFUGDSOWRJUJOC-VWLOTQADSA-O 1 2 495.625 4.740 40 0 JJABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000261365497 570169099 /nfs/dbraw/zinc/16/90/99/570169099.db2.gz STGUCCOGYOHLPZ-AREMUKBSSA-O 1 2 485.589 4.741 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000261365585 570169107 /nfs/dbraw/zinc/16/91/07/570169107.db2.gz TYBMADYISWLJIF-VWLOTQADSA-O 1 2 495.625 4.740 40 0 JJABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329033724 570182446 /nfs/dbraw/zinc/18/24/46/570182446.db2.gz QVFZMELSXYFTJG-OAQYLSRUSA-N 1 2 460.500 5.392 40 0 JJABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329033723 570182502 /nfs/dbraw/zinc/18/25/02/570182502.db2.gz QVFZMELSXYFTJG-NRFANRHFSA-N 1 2 460.500 5.392 40 0 JJABLO CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329043677 570182859 /nfs/dbraw/zinc/18/28/59/570182859.db2.gz STRZKSXDHFKGQE-UHFFFAOYSA-N 1 2 458.362 4.960 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329046528 570182914 /nfs/dbraw/zinc/18/29/14/570182914.db2.gz UBSLGZHDDDDIKZ-FQEVSTJZSA-N 1 2 482.453 5.361 40 0 JJABLO COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408562635 570201895 /nfs/dbraw/zinc/20/18/95/570201895.db2.gz DQECWYLAPIWSGO-RCCKNPSSSA-N 1 2 462.571 4.711 40 0 JJABLO COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408562635 570201896 /nfs/dbraw/zinc/20/18/96/570201896.db2.gz DQECWYLAPIWSGO-RCCKNPSSSA-N 1 2 462.571 4.711 40 0 JJABLO Cc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C ZINC000001373309 194107226 /nfs/dbraw/zinc/10/72/26/194107226.db2.gz KCKPDXVWNLGKPK-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C ZINC000001373309 194107227 /nfs/dbraw/zinc/10/72/27/194107227.db2.gz KCKPDXVWNLGKPK-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO Cc1ccc(C(=O)c2c(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)sc3c2CCCC3)cc1 ZINC000001362105 194102217 /nfs/dbraw/zinc/10/22/17/194102217.db2.gz JMIOSLJCSICRJE-UHFFFAOYSA-N 1 2 487.669 4.923 40 0 JJABLO Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000001362252 194102371 /nfs/dbraw/zinc/10/23/71/194102371.db2.gz ULPWKRLDBDAHTF-MUUNZHRXSA-N 1 2 490.611 4.522 40 0 JJABLO Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000001362252 194102372 /nfs/dbraw/zinc/10/23/72/194102372.db2.gz ULPWKRLDBDAHTF-MUUNZHRXSA-N 1 2 490.611 4.522 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057589617 195351398 /nfs/dbraw/zinc/35/13/98/195351398.db2.gz FDKQGLHPSBNMGT-RUZDIDTESA-N 1 2 486.595 4.986 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057589617 195351401 /nfs/dbraw/zinc/35/14/01/195351401.db2.gz FDKQGLHPSBNMGT-RUZDIDTESA-N 1 2 486.595 4.986 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057589848 195351836 /nfs/dbraw/zinc/35/18/36/195351836.db2.gz QDYLMYYNANQAHL-DEOSSOPVSA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057589848 195351839 /nfs/dbraw/zinc/35/18/39/195351839.db2.gz QDYLMYYNANQAHL-DEOSSOPVSA-N 1 2 458.610 4.888 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641756 195356036 /nfs/dbraw/zinc/35/60/36/195356036.db2.gz XPVPEIPACYUJPX-WIOPSUGQSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641756 195356038 /nfs/dbraw/zinc/35/60/38/195356038.db2.gz XPVPEIPACYUJPX-WIOPSUGQSA-N 1 2 478.641 4.769 40 0 JJABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2C)c1 ZINC000044904442 524437521 /nfs/dbraw/zinc/43/75/21/524437521.db2.gz JBDZGEYLQQIVPC-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2C)c1C ZINC000044900133 524690473 /nfs/dbraw/zinc/69/04/73/524690473.db2.gz BDBXWHYNSOODOD-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC(F)(F)F)cc4)no3)[N@H+](C)C2)cc1 ZINC000020464131 525183658 /nfs/dbraw/zinc/18/36/58/525183658.db2.gz HNTYPDWZMUKOEW-WMZOPIPTSA-N 1 2 461.444 4.511 40 0 biogenic,in-vitro JJABLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC(F)(F)F)cc4)no3)[N@@H+](C)C2)cc1 ZINC000020464131 525183665 /nfs/dbraw/zinc/18/36/65/525183665.db2.gz HNTYPDWZMUKOEW-WMZOPIPTSA-N 1 2 461.444 4.511 40 0 biogenic,in-vitro JJABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000044904416 526649528 /nfs/dbraw/zinc/64/95/28/526649528.db2.gz SWSRIPCXUWODCG-MHZLTWQESA-N 1 2 468.582 4.577 40 0 JJABLO Cc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926135 553862353 /nfs/dbraw/zinc/86/23/53/553862353.db2.gz SCUPIRYNQRTVHK-UHFFFAOYSA-N 1 2 456.594 4.573 40 0 JJABLO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926135 553862356 /nfs/dbraw/zinc/86/23/56/553862356.db2.gz SCUPIRYNQRTVHK-UHFFFAOYSA-N 1 2 456.594 4.573 40 0 JJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926717 553863010 /nfs/dbraw/zinc/86/30/10/553863010.db2.gz DZEIHQVNVWXIRM-UHFFFAOYSA-N 1 2 458.610 4.521 40 0 JJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926717 553863014 /nfs/dbraw/zinc/86/30/14/553863014.db2.gz DZEIHQVNVWXIRM-UHFFFAOYSA-N 1 2 458.610 4.521 40 0 JJABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282824 554525995 /nfs/dbraw/zinc/52/59/95/554525995.db2.gz QPHVSCQVKJIKDD-MHZLTWQESA-N 1 2 498.631 4.682 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494452 555404573 /nfs/dbraw/zinc/40/45/73/555404573.db2.gz JXXRIIQGDCZEAD-DEOSSOPVSA-N 1 2 492.599 4.961 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494452 555404574 /nfs/dbraw/zinc/40/45/74/555404574.db2.gz JXXRIIQGDCZEAD-DEOSSOPVSA-N 1 2 492.599 4.961 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498482 555421297 /nfs/dbraw/zinc/42/12/97/555421297.db2.gz TWAYRPCPDWIIEY-XMMPIXPASA-N 1 2 458.610 4.978 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498482 555421300 /nfs/dbraw/zinc/42/13/00/555421300.db2.gz TWAYRPCPDWIIEY-XMMPIXPASA-N 1 2 458.610 4.978 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498606 555422404 /nfs/dbraw/zinc/42/24/04/555422404.db2.gz GUDXSFBCOIQODU-JOCHJYFZSA-N 1 2 480.638 4.739 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498606 555422407 /nfs/dbraw/zinc/42/24/07/555422407.db2.gz GUDXSFBCOIQODU-JOCHJYFZSA-N 1 2 480.638 4.739 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499364 555430825 /nfs/dbraw/zinc/43/08/25/555430825.db2.gz BIUQLRFSKHSGPM-DEOSSOPVSA-N 1 2 474.609 4.822 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499364 555430828 /nfs/dbraw/zinc/43/08/28/555430828.db2.gz BIUQLRFSKHSGPM-DEOSSOPVSA-N 1 2 474.609 4.822 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500208 555437634 /nfs/dbraw/zinc/43/76/34/555437634.db2.gz SBFQIUBZEYHVIW-DEOSSOPVSA-N 1 2 458.610 4.978 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500208 555437636 /nfs/dbraw/zinc/43/76/36/555437636.db2.gz SBFQIUBZEYHVIW-DEOSSOPVSA-N 1 2 458.610 4.978 40 0 JJABLO COc1ccc(C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500231 555438153 /nfs/dbraw/zinc/43/81/53/555438153.db2.gz ZHUICXLXEPATBA-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc(C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500231 555438155 /nfs/dbraw/zinc/43/81/55/555438155.db2.gz ZHUICXLXEPATBA-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500392 555439770 /nfs/dbraw/zinc/43/97/70/555439770.db2.gz DWJGXHGQFSHGNA-UKILVPOCSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500392 555439773 /nfs/dbraw/zinc/43/97/73/555439773.db2.gz DWJGXHGQFSHGNA-UKILVPOCSA-N 1 2 478.641 4.707 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000013503387 555460980 /nfs/dbraw/zinc/46/09/80/555460980.db2.gz GYOYSINJCNQAPH-AREMUKBSSA-N 1 2 469.637 4.895 40 0 JJABLO Cc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1cccc2ccccc21 ZINC000013635721 555545035 /nfs/dbraw/zinc/54/50/35/555545035.db2.gz FZXKKQAMKWPTHM-UHFFFAOYSA-N 1 2 476.584 4.519 40 0 JJABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000019931604 555549097 /nfs/dbraw/zinc/54/90/97/555549097.db2.gz XJNXOISSCOVXMV-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO c1ccc(N2CC[NH+]([C@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)cc1 ZINC000020098585 555633195 /nfs/dbraw/zinc/63/31/95/555633195.db2.gz UFZKACVMPZWCLV-SANMLTNESA-N 1 2 453.594 4.638 40 0 JJABLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000012136608 555913812 /nfs/dbraw/zinc/91/38/12/555913812.db2.gz ZHGLTXZFIKPQKB-JPAWQOSXSA-N 1 2 473.662 4.814 40 0 JJABLO CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3)nc2cc1C ZINC000022534491 555933007 /nfs/dbraw/zinc/93/30/07/555933007.db2.gz LRDAWVWEDDOEKA-UHFFFAOYSA-N 1 2 452.628 4.968 40 0 JJABLO COc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675944 555935326 /nfs/dbraw/zinc/93/53/26/555935326.db2.gz UEHZFGKWOVANIR-QHCPKHFHSA-N 1 2 466.501 4.953 40 0 biogenic,in-vitro JJABLO COc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675944 555935330 /nfs/dbraw/zinc/93/53/30/555935330.db2.gz UEHZFGKWOVANIR-QHCPKHFHSA-N 1 2 466.501 4.953 40 0 biogenic,in-vitro JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(OC)cc4)cc3n2)cc1 ZINC000022567129 555936544 /nfs/dbraw/zinc/93/65/44/555936544.db2.gz PNAYUPBJYXBFSF-UHFFFAOYSA-N 1 2 459.550 4.601 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OC)c4)cc3n2)cc1 ZINC000022746724 555951398 /nfs/dbraw/zinc/95/13/98/555951398.db2.gz LAKXUNLOIVKXRG-UHFFFAOYSA-N 1 2 488.617 4.711 40 0 JJABLO CC(=O)Nc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 ZINC000015707285 555952844 /nfs/dbraw/zinc/95/28/44/555952844.db2.gz YTMGCQGTUFMXSS-NRFANRHFSA-N 1 2 466.904 4.510 40 0 biogenic,in-vitro JJABLO Cc1cc(NC(=O)COc2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)no1 ZINC000028616770 556336861 /nfs/dbraw/zinc/33/68/61/556336861.db2.gz OIICLUGKZMPDGJ-UHFFFAOYSA-N 1 2 469.592 4.720 40 0 JJABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000030753017 556371831 /nfs/dbraw/zinc/37/18/31/556371831.db2.gz ZJDPSQRODUGQIA-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO Clc1ccc(C[NH+]2CCN(c3ncnc4c3cnn4Cc3ccccc3)CC2)c(Cl)c1 ZINC000055390909 569591603 /nfs/dbraw/zinc/59/16/03/569591603.db2.gz NMLCYMXVQFRFKI-UHFFFAOYSA-N 1 2 453.377 4.504 40 0 JJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937051 569638493 /nfs/dbraw/zinc/63/84/93/569638493.db2.gz VWUXWAUERQMNDW-HYBUGGRVSA-N 1 2 492.649 4.525 40 0 JJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937051 569638494 /nfs/dbraw/zinc/63/84/94/569638494.db2.gz VWUXWAUERQMNDW-HYBUGGRVSA-N 1 2 492.649 4.525 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937365 569639011 /nfs/dbraw/zinc/63/90/11/569639011.db2.gz UQDJLHIVBPLQOL-FYYLOGMGSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937365 569639013 /nfs/dbraw/zinc/63/90/13/569639013.db2.gz UQDJLHIVBPLQOL-FYYLOGMGSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937346 569639063 /nfs/dbraw/zinc/63/90/63/569639063.db2.gz IULVWCWWUAZONI-RPBOFIJWSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937346 569639065 /nfs/dbraw/zinc/63/90/65/569639065.db2.gz IULVWCWWUAZONI-RPBOFIJWSA-N 1 2 486.620 4.546 40 0 JJABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000072216498 569700478 /nfs/dbraw/zinc/70/04/78/569700478.db2.gz IWXCXGWIMSROAD-QFIPXVFZSA-N 1 2 450.583 4.506 40 0 JJABLO CCOc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OCC)cc1C ZINC000041091749 569837597 /nfs/dbraw/zinc/83/75/97/569837597.db2.gz RHPXKLFFXHVXOE-UHFFFAOYSA-N 1 2 494.657 4.888 40 0 JJABLO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000214598762 569876780 /nfs/dbraw/zinc/87/67/80/569876780.db2.gz BXLIDDXLXQZXMR-AREMUKBSSA-N 1 2 453.586 4.935 40 0 JJABLO Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)cc1Cl ZINC000223161720 569901585 /nfs/dbraw/zinc/90/15/85/569901585.db2.gz SLPOIYXTLRVKBJ-BJKOFHAPSA-N 1 2 483.037 4.608 40 0 JJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc3ccccc3c2)N1CCC[NH+]1CCOCC1 ZINC000223198434 569903122 /nfs/dbraw/zinc/90/31/22/569903122.db2.gz WKXDXXNPJJJBJO-WUFINQPMSA-N 1 2 497.668 4.720 40 0 JJABLO Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)ccc1Cl ZINC000223197930 569903124 /nfs/dbraw/zinc/90/31/24/569903124.db2.gz BUNJOKUPJAZLMF-JWQCQUIFSA-N 1 2 496.080 4.529 40 0 JJABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc3ccccc3c2)N1CCC[NH+]1CCOCC1 ZINC000223198590 569903127 /nfs/dbraw/zinc/90/31/27/569903127.db2.gz WKXDXXNPJJJBJO-IZLXSDGUSA-N 1 2 497.668 4.720 40 0 JJABLO Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223204047 569903372 /nfs/dbraw/zinc/90/33/72/569903372.db2.gz GMGZOHCJOCOPHN-LOSJGSFVSA-N 1 2 497.064 4.998 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223469921 569912359 /nfs/dbraw/zinc/91/23/59/569912359.db2.gz FZOLCIBIXKTGOG-JWQCQUIFSA-N 1 2 454.603 4.506 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224023055 569930903 /nfs/dbraw/zinc/93/09/03/569930903.db2.gz BVMPRAIIXRRVMF-FTJBHMTQSA-N 1 2 483.597 4.844 40 0 JJABLO O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408625408 569980218 /nfs/dbraw/zinc/98/02/18/569980218.db2.gz UUSYJMMFRUHPGE-GNMASIKHSA-N 1 2 487.625 4.525 40 0 JJABLO O=C(CCc1nc(-c2cccc3ccccc32)no1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225830263 570023841 /nfs/dbraw/zinc/02/38/41/570023841.db2.gz DOWPVYOEQDCHQX-JXMROGBWSA-N 1 2 452.558 4.680 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000408704462 570024011 /nfs/dbraw/zinc/02/40/11/570024011.db2.gz NVRMPHMCOCZLOS-VWLOTQADSA-N 1 2 485.519 4.585 40 0 JJABLO CCn1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c2ccccc21 ZINC000408713369 570025465 /nfs/dbraw/zinc/02/54/65/570025465.db2.gz VNQFYLXBXFVASN-UHFFFAOYSA-N 1 2 451.570 4.569 40 0 JJABLO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225907027 570026988 /nfs/dbraw/zinc/02/69/88/570026988.db2.gz FFXCHIHBJZLTDQ-GOSISDBHSA-N 1 2 490.460 4.899 40 0 JJABLO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225907027 570026990 /nfs/dbraw/zinc/02/69/90/570026990.db2.gz FFXCHIHBJZLTDQ-GOSISDBHSA-N 1 2 490.460 4.899 40 0 JJABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500364 570101527 /nfs/dbraw/zinc/10/15/27/570101527.db2.gz HKSVBQKPLSSPTP-ISKFKSNPSA-N 1 2 490.608 4.707 40 0 JJABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500364 570101528 /nfs/dbraw/zinc/10/15/28/570101528.db2.gz HKSVBQKPLSSPTP-ISKFKSNPSA-N 1 2 490.608 4.707 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500406 570101808 /nfs/dbraw/zinc/10/18/08/570101808.db2.gz KLUUJUPDBBDJRD-FGZHOGPDSA-N 1 2 466.630 4.903 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500406 570101810 /nfs/dbraw/zinc/10/18/10/570101810.db2.gz KLUUJUPDBBDJRD-FGZHOGPDSA-N 1 2 466.630 4.903 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500415 570101819 /nfs/dbraw/zinc/10/18/19/570101819.db2.gz KZMBAFZUHACYIS-NOZRDPDXSA-N 1 2 494.640 4.963 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500415 570101821 /nfs/dbraw/zinc/10/18/21/570101821.db2.gz KZMBAFZUHACYIS-NOZRDPDXSA-N 1 2 494.640 4.963 40 0 JJABLO Cc1cc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500555 570102131 /nfs/dbraw/zinc/10/21/31/570102131.db2.gz WFJHAMXTTOTGIE-RDGATRHJSA-N 1 2 490.608 4.563 40 0 JJABLO Cc1cc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500555 570102133 /nfs/dbraw/zinc/10/21/33/570102133.db2.gz WFJHAMXTTOTGIE-RDGATRHJSA-N 1 2 490.608 4.563 40 0 JJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500529 570102170 /nfs/dbraw/zinc/10/21/70/570102170.db2.gz UVFHVAVAUPLECC-JWQCQUIFSA-N 1 2 486.620 4.610 40 0 JJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500529 570102171 /nfs/dbraw/zinc/10/21/71/570102171.db2.gz UVFHVAVAUPLECC-JWQCQUIFSA-N 1 2 486.620 4.610 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500508 570102269 /nfs/dbraw/zinc/10/22/69/570102269.db2.gz SGSWVYDSGNRMSY-PKTZIBPZSA-N 1 2 464.614 4.873 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500508 570102270 /nfs/dbraw/zinc/10/22/70/570102270.db2.gz SGSWVYDSGNRMSY-PKTZIBPZSA-N 1 2 464.614 4.873 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000253616908 570105011 /nfs/dbraw/zinc/10/50/11/570105011.db2.gz MLINFAAKWWNNAF-BWKNWUBXSA-N 1 2 490.608 4.563 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000253616908 570105012 /nfs/dbraw/zinc/10/50/12/570105012.db2.gz MLINFAAKWWNNAF-BWKNWUBXSA-N 1 2 490.608 4.563 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257203000 570108617 /nfs/dbraw/zinc/10/86/17/570108617.db2.gz AOFJDCQBSLLZEK-DEOSSOPVSA-N 1 2 462.981 4.607 40 0 JJABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257220328 570114192 /nfs/dbraw/zinc/11/41/92/570114192.db2.gz DKJYOABJJNVYGK-HXUWFJFHSA-N 1 2 457.509 4.673 40 0 JJABLO Cc1ccc(Oc2cccc([C@H]3CN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)CCO3)n2)cc1 ZINC000257223577 570115159 /nfs/dbraw/zinc/11/51/59/570115159.db2.gz DXZHEJBOYICTPL-RUZDIDTESA-N 1 2 454.530 4.641 40 0 JJABLO CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000257246831 570122143 /nfs/dbraw/zinc/12/21/43/570122143.db2.gz IWADHKZGRSMYNQ-MHZLTWQESA-N 1 2 484.644 4.653 40 0 JJABLO COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3C(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000257250941 570123488 /nfs/dbraw/zinc/12/34/88/570123488.db2.gz JOQUHEFQARILJB-DEOSSOPVSA-N 1 2 469.545 4.808 40 0 JJABLO COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000257254684 570124676 /nfs/dbraw/zinc/12/46/76/570124676.db2.gz KEFWTVQQFWOUPN-UHFFFAOYSA-N 1 2 469.545 4.542 40 0 JJABLO Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000257263508 570127448 /nfs/dbraw/zinc/12/74/48/570127448.db2.gz LQFNDTPAWDDBHO-JOCHJYFZSA-N 1 2 453.546 4.842 40 0 JJABLO Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)n1 ZINC000257270958 570129855 /nfs/dbraw/zinc/12/98/55/570129855.db2.gz MWHOSLNIMZMTQX-JOCHJYFZSA-N 1 2 453.546 4.842 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc3c2CCCC3)C[C@@H]1Oc1ccc(F)cc1 ZINC000257277979 570132051 /nfs/dbraw/zinc/13/20/51/570132051.db2.gz OAGDWVMSHAMOLP-AHKZPQOWSA-N 1 2 454.586 4.574 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc3c2CCCC3)C[C@@H]1Oc1ccc(F)cc1 ZINC000257277979 570132052 /nfs/dbraw/zinc/13/20/52/570132052.db2.gz OAGDWVMSHAMOLP-AHKZPQOWSA-N 1 2 454.586 4.574 40 0 JJABLO CCCc1ccc(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)o1 ZINC000257291742 570136082 /nfs/dbraw/zinc/13/60/82/570136082.db2.gz QIKYRXWFBXWLOM-AREMUKBSSA-N 1 2 475.029 4.938 40 0 JJABLO CCCc1ccc(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)o1 ZINC000257291742 570136083 /nfs/dbraw/zinc/13/60/83/570136083.db2.gz QIKYRXWFBXWLOM-AREMUKBSSA-N 1 2 475.029 4.938 40 0 JJABLO COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)CC[C@@H]3O[C@H]21 ZINC000257295485 570137005 /nfs/dbraw/zinc/13/70/05/570137005.db2.gz QYMCSIFIYNEESV-MLQASWRXSA-N 1 2 487.600 4.720 40 0 JJABLO Cc1cc(Oc2ccc(F)cc2)nc(C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)n1 ZINC000257313081 570142472 /nfs/dbraw/zinc/14/24/72/570142472.db2.gz UQZGSVZDYYAZHO-UHFFFAOYSA-N 1 2 471.536 4.981 40 0 JJABLO Cc1cc(Nc2cccc([C@@H]3CCCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)C3)n2)n[nH]1 ZINC000257318753 570144124 /nfs/dbraw/zinc/14/41/24/570144124.db2.gz VPFMHKBLKDRABG-HXUWFJFHSA-N 1 2 471.609 4.811 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)nc1-c1ccccc1 ZINC000257326907 570146507 /nfs/dbraw/zinc/14/65/07/570146507.db2.gz WZBSEXCBZNQHBK-WNCULLNHSA-N 1 2 477.630 4.897 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)nc1-c1ccccc1 ZINC000257326907 570146509 /nfs/dbraw/zinc/14/65/09/570146509.db2.gz WZBSEXCBZNQHBK-WNCULLNHSA-N 1 2 477.630 4.897 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(C)cc3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409179486 570158354 /nfs/dbraw/zinc/15/83/54/570158354.db2.gz RMLAIDKBEZGNAR-VWLOTQADSA-N 1 2 476.577 4.849 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(C)cc3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409179486 570158356 /nfs/dbraw/zinc/15/83/56/570158356.db2.gz RMLAIDKBEZGNAR-VWLOTQADSA-N 1 2 476.577 4.849 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N2NC=NC2=[NH+]1 ZINC000409184023 570160320 /nfs/dbraw/zinc/16/03/20/570160320.db2.gz WFOHJNNRSJUXMG-JOCHJYFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N2NC=[NH+]C2=N1 ZINC000409184023 570160321 /nfs/dbraw/zinc/16/03/21/570160321.db2.gz WFOHJNNRSJUXMG-JOCHJYFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1OC ZINC000261361647 570167262 /nfs/dbraw/zinc/16/72/62/570167262.db2.gz AIIBFIOUGYFYOE-XMMPIXPASA-O 1 2 465.599 4.731 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1F ZINC000261362330 570167507 /nfs/dbraw/zinc/16/75/07/570167507.db2.gz CYERVCVWCZGDQW-QHCPKHFHSA-O 1 2 453.563 4.862 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000261363744 570168295 /nfs/dbraw/zinc/16/82/95/570168295.db2.gz HZHCIWWPQYFOPZ-QHCPKHFHSA-O 1 2 463.514 4.561 40 0 JJABLO CCCCCOc1ccccc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364319 570168556 /nfs/dbraw/zinc/16/85/56/570168556.db2.gz KQHCRVYAOJRIPZ-DEOSSOPVSA-O 1 2 465.599 4.731 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC)c1 ZINC000261364861 570168747 /nfs/dbraw/zinc/16/87/47/570168747.db2.gz OFQOLOVTHGJRPJ-DEOSSOPVSA-O 1 2 465.599 4.731 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)ccc1OC ZINC000261365299 570169063 /nfs/dbraw/zinc/16/90/63/570169063.db2.gz RFUGDSOWRJUJOC-RUZDIDTESA-O 1 2 495.625 4.740 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C(=O)OC)cc1 ZINC000261365594 570169123 /nfs/dbraw/zinc/16/91/23/570169123.db2.gz TZPHKLSRCHNWQY-DEOSSOPVSA-O 1 2 493.609 4.509 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cccc(O)c1 ZINC000261365679 570169234 /nfs/dbraw/zinc/16/92/34/570169234.db2.gz UOQNGJTVRQRDJZ-IBGZPJMESA-O 1 2 474.404 4.860 40 0 JJABLO Ic1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329070286 570183797 /nfs/dbraw/zinc/18/37/97/570183797.db2.gz ZFTKSILGSCZJQF-UHFFFAOYSA-N 1 2 456.331 4.690 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374091 194108259 /nfs/dbraw/zinc/10/82/59/194108259.db2.gz WIGCOIGGIHTXFQ-QHCPKHFHSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374091 194108262 /nfs/dbraw/zinc/10/82/62/194108262.db2.gz WIGCOIGGIHTXFQ-QHCPKHFHSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374379 194108685 /nfs/dbraw/zinc/10/86/85/194108685.db2.gz WINDIBDCLKIIQL-XMMPIXPASA-N 1 2 492.599 4.961 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374379 194108686 /nfs/dbraw/zinc/10/86/86/194108686.db2.gz WINDIBDCLKIIQL-XMMPIXPASA-N 1 2 492.599 4.961 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584896 195351066 /nfs/dbraw/zinc/35/10/66/195351066.db2.gz WLBZRQUXWWBARD-RUZDIDTESA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584896 195351069 /nfs/dbraw/zinc/35/10/69/195351069.db2.gz WLBZRQUXWWBARD-RUZDIDTESA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584876 195351145 /nfs/dbraw/zinc/35/11/45/195351145.db2.gz PCRYNCRICILRED-RUZDIDTESA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584876 195351148 /nfs/dbraw/zinc/35/11/48/195351148.db2.gz PCRYNCRICILRED-RUZDIDTESA-N 1 2 456.594 4.858 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640885 195354619 /nfs/dbraw/zinc/35/46/19/195354619.db2.gz SPQHWVNZSZIEST-VWLOTQADSA-N 1 2 490.583 4.931 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640885 195354622 /nfs/dbraw/zinc/35/46/22/195354622.db2.gz SPQHWVNZSZIEST-VWLOTQADSA-N 1 2 490.583 4.931 40 0 JJABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCN(c4ccccc4)CC2)cc1)CCC3 ZINC000057718559 195358054 /nfs/dbraw/zinc/35/80/54/195358054.db2.gz XHQDSUJECFYWHU-UHFFFAOYSA-N 1 2 450.586 4.956 40 0 JJABLO COc1ccc2cc(CNc3ccc([NH+]4CCCCC4)cc3C(=O)N3CCCCC3)c(=O)[nH]c2c1 ZINC000057721810 195358588 /nfs/dbraw/zinc/35/85/88/195358588.db2.gz DNJODVLUAOSVGS-UHFFFAOYSA-N 1 2 474.605 4.765 40 0 JJABLO CC(C)c1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428275 519836710 /nfs/dbraw/zinc/83/67/10/519836710.db2.gz FXWLPELVFJVXDP-UHFFFAOYSA-N 1 2 488.613 4.507 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2C)c(C)c1 ZINC000020494706 525295909 /nfs/dbraw/zinc/29/59/09/525295909.db2.gz QLYHHTIRVNDUIX-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2Cl)c(C)c1 ZINC000044883929 525296315 /nfs/dbraw/zinc/29/63/15/525296315.db2.gz IPRFHOLCRJAONH-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2Cl)cc1 ZINC000044883278 525297356 /nfs/dbraw/zinc/29/73/56/525297356.db2.gz UQJVMPVCCAGCIH-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO Cc1ccc(S[C@@]2(C[NH+]3CCOCC3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310891 525666315 /nfs/dbraw/zinc/66/63/15/525666315.db2.gz XZXVFPLXZJNBNF-QFIPXVFZSA-N 1 2 462.409 4.504 40 0 JJABLO Cc1[nH+]cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000041124307 527297452 /nfs/dbraw/zinc/29/74/52/527297452.db2.gz LZICRROQGSHENH-GOSISDBHSA-N 1 2 475.549 4.743 40 0 JJABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000044885608 527386602 /nfs/dbraw/zinc/38/66/02/527386602.db2.gz YBDSRUPNYBHVHP-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000022523287 527386858 /nfs/dbraw/zinc/38/68/58/527386858.db2.gz QKZVIUUXPYNPRI-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO Cc1cccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)c1 ZINC000000924625 553859913 /nfs/dbraw/zinc/85/99/13/553859913.db2.gz CWDXPBSEMVAZKF-UHFFFAOYSA-N 1 2 468.586 4.968 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000925947 553862051 /nfs/dbraw/zinc/86/20/51/553862051.db2.gz XCSBTQIUQZKLML-UHFFFAOYSA-N 1 2 470.621 4.827 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000925947 553862056 /nfs/dbraw/zinc/86/20/56/553862056.db2.gz XCSBTQIUQZKLML-UHFFFAOYSA-N 1 2 470.621 4.827 40 0 JJABLO Cc1cccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c12 ZINC000000926327 553862395 /nfs/dbraw/zinc/86/23/95/553862395.db2.gz VAKYEBCMOMXMSX-UHFFFAOYSA-N 1 2 456.594 4.573 40 0 JJABLO Cc1cccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c12 ZINC000000926327 553862396 /nfs/dbraw/zinc/86/23/96/553862396.db2.gz VAKYEBCMOMXMSX-UHFFFAOYSA-N 1 2 456.594 4.573 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc12 ZINC000000926973 553863521 /nfs/dbraw/zinc/86/35/21/553863521.db2.gz ZXWFNWBFEGZZEN-UHFFFAOYSA-N 1 2 470.621 4.882 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc12 ZINC000000926973 553863522 /nfs/dbraw/zinc/86/35/22/553863522.db2.gz ZXWFNWBFEGZZEN-UHFFFAOYSA-N 1 2 470.621 4.882 40 0 JJABLO CCOc1ccc2nc(NC(=O)CSc3[nH+]cnc4c3cnn4-c3ccccc3)sc2c1 ZINC000000929829 553867695 /nfs/dbraw/zinc/86/76/95/553867695.db2.gz VXQZRTLGYVMTJL-UHFFFAOYSA-N 1 2 462.560 4.555 40 0 JJABLO CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000001346108 553955526 /nfs/dbraw/zinc/95/55/26/553955526.db2.gz YRRMLVUNGURZRS-DEOSSOPVSA-N 1 2 476.028 4.537 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494446 555404609 /nfs/dbraw/zinc/40/46/09/555404609.db2.gz AEMFSOUESFFNPX-QHCPKHFHSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494446 555404611 /nfs/dbraw/zinc/40/46/11/555404611.db2.gz AEMFSOUESFFNPX-QHCPKHFHSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494654 555405472 /nfs/dbraw/zinc/40/54/72/555405472.db2.gz YIXOIELBQQBRDH-VWLOTQADSA-N 1 2 468.561 4.618 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494654 555405474 /nfs/dbraw/zinc/40/54/74/555405474.db2.gz YIXOIELBQQBRDH-VWLOTQADSA-N 1 2 468.561 4.618 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494803 555406356 /nfs/dbraw/zinc/40/63/56/555406356.db2.gz TXHYGRIWUUQFLD-AREMUKBSSA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494803 555406359 /nfs/dbraw/zinc/40/63/59/555406359.db2.gz TXHYGRIWUUQFLD-AREMUKBSSA-N 1 2 482.588 4.926 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495521 555408224 /nfs/dbraw/zinc/40/82/24/555408224.db2.gz GRBUMOPYVQVOBD-ZCYQVOJMSA-N 1 2 494.640 4.551 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495521 555408226 /nfs/dbraw/zinc/40/82/26/555408226.db2.gz GRBUMOPYVQVOBD-ZCYQVOJMSA-N 1 2 494.640 4.551 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498545 555421989 /nfs/dbraw/zinc/42/19/89/555421989.db2.gz SNUFXMBTWZVCTQ-SANMLTNESA-N 1 2 482.588 4.864 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498545 555421992 /nfs/dbraw/zinc/42/19/92/555421992.db2.gz SNUFXMBTWZVCTQ-SANMLTNESA-N 1 2 482.588 4.864 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498579 555422597 /nfs/dbraw/zinc/42/25/97/555422597.db2.gz NJHPCNNIZBMWSB-XMMPIXPASA-N 1 2 488.617 4.925 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498579 555422599 /nfs/dbraw/zinc/42/25/99/555422599.db2.gz NJHPCNNIZBMWSB-XMMPIXPASA-N 1 2 488.617 4.925 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498663 555423420 /nfs/dbraw/zinc/42/34/20/555423420.db2.gz FIUTWZHBENUQSU-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498663 555423422 /nfs/dbraw/zinc/42/34/22/555423422.db2.gz FIUTWZHBENUQSU-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498845 555425206 /nfs/dbraw/zinc/42/52/06/555425206.db2.gz TYBHDSUOGTXCEE-QHCPKHFHSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498845 555425208 /nfs/dbraw/zinc/42/52/08/555425208.db2.gz TYBHDSUOGTXCEE-QHCPKHFHSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1cc2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498959 555426475 /nfs/dbraw/zinc/42/64/75/555426475.db2.gz QFPLFSQFIYSVHP-SANMLTNESA-N 1 2 497.603 4.567 40 0 JJABLO Cc1cc2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498959 555426478 /nfs/dbraw/zinc/42/64/78/555426478.db2.gz QFPLFSQFIYSVHP-SANMLTNESA-N 1 2 497.603 4.567 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499205 555429161 /nfs/dbraw/zinc/42/91/61/555429161.db2.gz YVQWPWUWFIOGOD-VWLOTQADSA-N 1 2 486.576 4.765 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499205 555429164 /nfs/dbraw/zinc/42/91/64/555429164.db2.gz YVQWPWUWFIOGOD-VWLOTQADSA-N 1 2 486.576 4.765 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499300 555430414 /nfs/dbraw/zinc/43/04/14/555430414.db2.gz GKEVYWPSDXKVBA-AHWVRZQESA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499300 555430415 /nfs/dbraw/zinc/43/04/15/555430415.db2.gz GKEVYWPSDXKVBA-AHWVRZQESA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499344 555430867 /nfs/dbraw/zinc/43/08/67/555430867.db2.gz POFBKHZCCPNKQS-DEOSSOPVSA-N 1 2 492.599 4.961 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499344 555430870 /nfs/dbraw/zinc/43/08/70/555430870.db2.gz POFBKHZCCPNKQS-DEOSSOPVSA-N 1 2 492.599 4.961 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499363 555430995 /nfs/dbraw/zinc/43/09/95/555430995.db2.gz BIUQLRFSKHSGPM-XMMPIXPASA-N 1 2 474.609 4.822 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499363 555430997 /nfs/dbraw/zinc/43/09/97/555430997.db2.gz BIUQLRFSKHSGPM-XMMPIXPASA-N 1 2 474.609 4.822 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500310 555438817 /nfs/dbraw/zinc/43/88/17/555438817.db2.gz YGXONDMYLQYHBV-SANMLTNESA-N 1 2 482.588 4.864 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500310 555438818 /nfs/dbraw/zinc/43/88/18/555438818.db2.gz YGXONDMYLQYHBV-SANMLTNESA-N 1 2 482.588 4.864 40 0 JJABLO Cc1cccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500382 555439603 /nfs/dbraw/zinc/43/96/03/555439603.db2.gz RWVCMBZJEHBZEB-UKILVPOCSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1cccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500382 555439605 /nfs/dbraw/zinc/43/96/05/555439605.db2.gz RWVCMBZJEHBZEB-UKILVPOCSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500495 555441036 /nfs/dbraw/zinc/44/10/36/555441036.db2.gz BUWMOAGMEMUAKB-DEOSSOPVSA-N 1 2 488.617 4.925 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500495 555441039 /nfs/dbraw/zinc/44/10/39/555441039.db2.gz BUWMOAGMEMUAKB-DEOSSOPVSA-N 1 2 488.617 4.925 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500778 555443990 /nfs/dbraw/zinc/44/39/90/555443990.db2.gz XLVKLMSNOOBSDK-AZGAKELHSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500778 555443992 /nfs/dbraw/zinc/44/39/92/555443992.db2.gz XLVKLMSNOOBSDK-AZGAKELHSA-N 1 2 486.620 4.546 40 0 JJABLO Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[NH+]5CCCCC5)n4)ccc32)cc1 ZINC000013564953 555500317 /nfs/dbraw/zinc/50/03/17/555500317.db2.gz OJNQWZXBSSTTAY-UHFFFAOYSA-N 1 2 460.603 4.746 40 0 JJABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2Cl)c1 ZINC000014154239 555711267 /nfs/dbraw/zinc/71/12/67/555711267.db2.gz WFVSDAXYGWGYAQ-UHFFFAOYSA-N 1 2 498.048 4.716 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CC(C)C)cc3n2)c(C)c1 ZINC000014270955 555764447 /nfs/dbraw/zinc/76/44/47/555764447.db2.gz HGGOSPULCXUZFQ-UHFFFAOYSA-N 1 2 452.628 4.743 40 0 JJABLO CCn1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c2cc(OC)ccc21 ZINC000022235910 555894402 /nfs/dbraw/zinc/89/44/02/555894402.db2.gz HLYXHZKNPMTNHQ-UHFFFAOYSA-N 1 2 481.596 4.577 40 0 JJABLO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1C ZINC000022747637 555951699 /nfs/dbraw/zinc/95/16/99/555951699.db2.gz MOKJCPFUHRAHDJ-AREMUKBSSA-N 1 2 489.566 4.621 40 0 JJABLO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781403 556262387 /nfs/dbraw/zinc/26/23/87/556262387.db2.gz DJOMZEVTKDNUNW-VWLOTQADSA-N 1 2 451.010 4.795 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522990 556351190 /nfs/dbraw/zinc/35/11/90/556351190.db2.gz QVXVVKYRUZWTNN-MHZLTWQESA-N 1 2 478.600 4.737 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522990 556351193 /nfs/dbraw/zinc/35/11/93/556351193.db2.gz QVXVVKYRUZWTNN-MHZLTWQESA-N 1 2 478.600 4.737 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019568130 556354942 /nfs/dbraw/zinc/35/49/42/556354942.db2.gz ZUZHXHDHHBMKHF-SANMLTNESA-N 1 2 468.605 4.784 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019568130 556354945 /nfs/dbraw/zinc/35/49/45/556354945.db2.gz ZUZHXHDHHBMKHF-SANMLTNESA-N 1 2 468.605 4.784 40 0 JJABLO O=C(c1ccc(OCCSc2ccccc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000030871555 556385400 /nfs/dbraw/zinc/38/54/00/556385400.db2.gz MFCDJNXOXOQQQQ-UHFFFAOYSA-N 1 2 476.598 4.544 40 0 JJABLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000013474656 562966792 /nfs/dbraw/zinc/96/67/92/562966792.db2.gz FRZNJFWQVYAVCE-UHFFFAOYSA-N 1 2 477.609 4.833 40 0 in-vitro JJABLO Cc1cc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000033937247 569638675 /nfs/dbraw/zinc/63/86/75/569638675.db2.gz MWQIVRNBSVSSJW-ILBGXUMGSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000033937247 569638677 /nfs/dbraw/zinc/63/86/77/569638677.db2.gz MWQIVRNBSVSSJW-ILBGXUMGSA-N 1 2 478.641 4.625 40 0 JJABLO CC(C)OC(=O)Cn1c(CCCC[C@H]2Nc3ccccc3N2CC(=O)OC(C)C)[nH+]c2ccccc21 ZINC000082086766 569708141 /nfs/dbraw/zinc/70/81/41/569708141.db2.gz LQVAKSLHLNCZQH-VWLOTQADSA-N 1 2 492.620 4.911 40 0 JJABLO CCCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000111457653 569860949 /nfs/dbraw/zinc/86/09/49/569860949.db2.gz JHVUDFPMBJOKOB-UHFFFAOYSA-N 1 2 468.648 4.828 40 0 JJABLO O=C(N1CCC[C@@H](Cc2cccn3cc[nH+]c23)CC1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000221972897 569883823 /nfs/dbraw/zinc/88/38/23/569883823.db2.gz CGFAFFYTRGMMNY-HXUWFJFHSA-N 1 2 451.998 4.907 40 0 JJABLO Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223159764 569901493 /nfs/dbraw/zinc/90/14/93/569901493.db2.gz NOTZMCBOMXCVGU-DNQXCXABSA-N 1 2 483.037 4.608 40 0 JJABLO Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223161092 569901533 /nfs/dbraw/zinc/90/15/33/569901533.db2.gz CNMHZOGQBWWNCB-DNQXCXABSA-N 1 2 483.037 4.608 40 0 JJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199007 569903176 /nfs/dbraw/zinc/90/31/76/569903176.db2.gz XGPDCRZOGOGDOJ-ZEQRLZLVSA-N 1 2 480.659 4.521 40 0 JJABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223200040 569903184 /nfs/dbraw/zinc/90/31/84/569903184.db2.gz BQDMDBWEWUGITA-RPWUZVMVSA-N 1 2 483.037 4.690 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CSc1ccccc1 ZINC000224329646 569940908 /nfs/dbraw/zinc/94/09/08/569940908.db2.gz VQBITXZWHSSHKX-UHFFFAOYSA-N 1 2 476.598 4.674 40 0 JJABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(C)cc1 ZINC000224471540 569945494 /nfs/dbraw/zinc/94/54/94/569945494.db2.gz RYWSFJOAQLTWJN-UHFFFAOYSA-N 1 2 488.584 4.659 40 0 JJABLO O=C(CCc1ncc(-c2ccc(Br)cc2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224882161 569961791 /nfs/dbraw/zinc/96/17/91/569961791.db2.gz QBMYAQMDXQFYGK-QPJJXVBHSA-N 1 2 480.406 4.894 40 0 JJABLO CCCCOc1ccc([C@@H]2C(C(=O)Nc3cc(OC)c(Cl)cc3OC)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000408627667 569981150 /nfs/dbraw/zinc/98/11/50/569981150.db2.gz OMDXIOQUMHLVND-HSZRJFAPSA-N 1 2 497.983 4.708 40 0 JJABLO CC(C)COC(=O)c1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408672850 570008422 /nfs/dbraw/zinc/00/84/22/570008422.db2.gz XNMBGAYUMGQDOK-UHFFFAOYSA-N 1 2 488.584 4.684 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(OCc3ccccc3C)cc2)cc1 ZINC000408703087 570022960 /nfs/dbraw/zinc/02/29/60/570022960.db2.gz DOXITWKYMHQRCD-AREMUKBSSA-N 1 2 481.556 4.755 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(OCc3ccccc3C)cc2)cc1 ZINC000408703089 570023126 /nfs/dbraw/zinc/02/31/26/570023126.db2.gz DOXITWKYMHQRCD-SANMLTNESA-N 1 2 481.556 4.755 40 0 JJABLO Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)c1 ZINC000408961640 570086177 /nfs/dbraw/zinc/08/61/77/570086177.db2.gz UHVZKRUTJCLFRY-JCMHNJIXSA-N 1 2 460.559 4.527 40 0 JJABLO CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)cc1 ZINC000408962229 570086416 /nfs/dbraw/zinc/08/64/16/570086416.db2.gz XLLHZHVQHCFMLD-KQWNVCNZSA-N 1 2 490.585 4.617 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500300 570101353 /nfs/dbraw/zinc/10/13/53/570101353.db2.gz ASYYNXHXXUKNSR-ZJSXRUAMSA-N 1 2 492.649 4.875 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500300 570101355 /nfs/dbraw/zinc/10/13/55/570101355.db2.gz ASYYNXHXXUKNSR-ZJSXRUAMSA-N 1 2 492.649 4.875 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500367 570101518 /nfs/dbraw/zinc/10/15/18/570101518.db2.gz HQENXTPNTOTHKF-GGAORHGYSA-N 1 2 466.630 4.821 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500367 570101519 /nfs/dbraw/zinc/10/15/19/570101519.db2.gz HQENXTPNTOTHKF-GGAORHGYSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500436 570101710 /nfs/dbraw/zinc/10/17/10/570101710.db2.gz ODNOZADXVRXTOZ-IFMALSPDSA-N 1 2 452.603 4.513 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500436 570101711 /nfs/dbraw/zinc/10/17/11/570101711.db2.gz ODNOZADXVRXTOZ-IFMALSPDSA-N 1 2 452.603 4.513 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500447 570101901 /nfs/dbraw/zinc/10/19/01/570101901.db2.gz OKAIJRAYQLFBIP-GGAORHGYSA-N 1 2 466.630 4.903 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500447 570101903 /nfs/dbraw/zinc/10/19/03/570101903.db2.gz OKAIJRAYQLFBIP-GGAORHGYSA-N 1 2 466.630 4.903 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000253500506 570102120 /nfs/dbraw/zinc/10/21/20/570102120.db2.gz SFVVUAOOIGZPKR-VWNXMTODSA-N 1 2 464.614 4.729 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000253500506 570102122 /nfs/dbraw/zinc/10/21/22/570102122.db2.gz SFVVUAOOIGZPKR-VWNXMTODSA-N 1 2 464.614 4.729 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500541 570102242 /nfs/dbraw/zinc/10/22/42/570102242.db2.gz VONMSZNKGWFJED-RSXGOPAZSA-N 1 2 486.620 4.814 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500541 570102243 /nfs/dbraw/zinc/10/22/43/570102243.db2.gz VONMSZNKGWFJED-RSXGOPAZSA-N 1 2 486.620 4.814 40 0 JJABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253616922 570105004 /nfs/dbraw/zinc/10/50/04/570105004.db2.gz VLNIUXFDVDFMOR-ZJSXRUAMSA-N 1 2 492.649 4.875 40 0 JJABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253616922 570105005 /nfs/dbraw/zinc/10/50/05/570105005.db2.gz VLNIUXFDVDFMOR-ZJSXRUAMSA-N 1 2 492.649 4.875 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(F)cc2)Cc2ccccc2Cl)C1 ZINC000257203443 570109015 /nfs/dbraw/zinc/10/90/15/570109015.db2.gz AQCBGFQYKXWEDB-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2ccccc2Cl)C1 ZINC000257203443 570109016 /nfs/dbraw/zinc/10/90/16/570109016.db2.gz AQCBGFQYKXWEDB-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO Cc1cnc(Nc2cc([C@@H]3CCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)C3)nc(C)n2)s1 ZINC000257233531 570118035 /nfs/dbraw/zinc/11/80/35/570118035.db2.gz GPPZKASOBDDLHX-LJQANCHMSA-N 1 2 489.649 4.858 40 0 JJABLO Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)n1 ZINC000257238602 570119731 /nfs/dbraw/zinc/11/97/31/570119731.db2.gz HLTQDKVYRNWHDK-JOCHJYFZSA-N 1 2 471.536 4.981 40 0 JJABLO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](c3ccc(OC(C)C)cc3)C2)cc1NCc1cccnc1 ZINC000257252307 570123851 /nfs/dbraw/zinc/12/38/51/570123851.db2.gz JUHQVPBSFYOZQI-SANMLTNESA-N 1 2 474.605 4.618 40 0 JJABLO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccc(OC(C)C)cc3)C2)cc1NCc1cccnc1 ZINC000257252307 570123852 /nfs/dbraw/zinc/12/38/52/570123852.db2.gz JUHQVPBSFYOZQI-SANMLTNESA-N 1 2 474.605 4.618 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)nc1-c1ccccc1 ZINC000257268361 570129093 /nfs/dbraw/zinc/12/90/93/570129093.db2.gz MLJLHTVEGUTJGH-RDPSFJRHSA-N 1 2 472.010 4.615 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)nc1-c1ccccc1 ZINC000257268361 570129094 /nfs/dbraw/zinc/12/90/94/570129094.db2.gz MLJLHTVEGUTJGH-RDPSFJRHSA-N 1 2 472.010 4.615 40 0 JJABLO Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)CCn3c[nH+]c4cc(C)c(C)cc43)n2)nc1 ZINC000257279116 570132491 /nfs/dbraw/zinc/13/24/91/570132491.db2.gz OFBIDKMYZLTXHS-XMMPIXPASA-N 1 2 482.588 4.758 40 0 JJABLO COc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000257282112 570133332 /nfs/dbraw/zinc/13/33/32/570133332.db2.gz OSJNYJUOTDSLIL-NRFANRHFSA-N 1 2 469.545 4.542 40 0 JJABLO COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)CC[C@H]3O[C@@H]21 ZINC000257295484 570137030 /nfs/dbraw/zinc/13/70/30/570137030.db2.gz QYMCSIFIYNEESV-BAGOZOHOSA-N 1 2 487.600 4.720 40 0 JJABLO Cc1cc(Nc2cccc(C3CCN(C(=O)Cn4c(C)[nH+]c5cc(C)c(C)cc54)CC3)n2)n[nH]1 ZINC000257296833 570137408 /nfs/dbraw/zinc/13/74/08/570137408.db2.gz RENXPAAWSGRPOG-UHFFFAOYSA-N 1 2 457.582 4.538 40 0 JJABLO COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccccc2F)o1 ZINC000257303455 570139507 /nfs/dbraw/zinc/13/95/07/570139507.db2.gz SHIFCKWRWYBSKS-QHCPKHFHSA-N 1 2 451.542 4.599 40 0 JJABLO COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccccc2F)o1 ZINC000257303455 570139508 /nfs/dbraw/zinc/13/95/08/570139508.db2.gz SHIFCKWRWYBSKS-QHCPKHFHSA-N 1 2 451.542 4.599 40 0 JJABLO COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C3)n2)c1 ZINC000257305216 570139833 /nfs/dbraw/zinc/13/98/33/570139833.db2.gz SOXUQBQDHCZRDW-QFIPXVFZSA-N 1 2 469.545 4.542 40 0 JJABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1Oc1ccccc1 ZINC000257306982 570140339 /nfs/dbraw/zinc/14/03/39/570140339.db2.gz SWUJGXRCMIYMER-ZCYQVOJMSA-N 1 2 461.002 4.752 40 0 JJABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1Oc1ccccc1 ZINC000257306982 570140341 /nfs/dbraw/zinc/14/03/41/570140341.db2.gz SWUJGXRCMIYMER-ZCYQVOJMSA-N 1 2 461.002 4.752 40 0 JJABLO Cn1c(-c2ccc(F)cc2)c[nH+]c1Nc1cccc([C@@H]2CN(C(=O)C3CCCCC3)CCO2)n1 ZINC000257307981 570140686 /nfs/dbraw/zinc/14/06/86/570140686.db2.gz TUYKEDJTSVDOFL-QHCPKHFHSA-N 1 2 463.557 4.845 40 0 JJABLO COc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000257310294 570141620 /nfs/dbraw/zinc/14/16/20/570141620.db2.gz UENMFMBPPYTJEB-QFIPXVFZSA-N 1 2 469.545 4.542 40 0 JJABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257319399 570144210 /nfs/dbraw/zinc/14/42/10/570144210.db2.gz VSGWDHRXNFALQJ-XCZPVHLTSA-N 1 2 458.558 4.868 40 0 JJABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257319399 570144211 /nfs/dbraw/zinc/14/42/11/570144211.db2.gz VSGWDHRXNFALQJ-XCZPVHLTSA-N 1 2 458.558 4.868 40 0 JJABLO Cc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000257325754 570146204 /nfs/dbraw/zinc/14/62/04/570146204.db2.gz WUGNNLYTBXQYMZ-QHCPKHFHSA-N 1 2 453.546 4.842 40 0 JJABLO COc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000257335090 570148956 /nfs/dbraw/zinc/14/89/56/570148956.db2.gz YIQMBSGLZYXZQP-JOCHJYFZSA-N 1 2 469.545 4.542 40 0 JJABLO CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@@H]3C[C@@H]21 ZINC000257338134 570149810 /nfs/dbraw/zinc/14/98/10/570149810.db2.gz YWASOVQKHNLDCG-FNFLUXIASA-N 1 2 457.574 4.711 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000261363408 570167917 /nfs/dbraw/zinc/16/79/17/570167917.db2.gz RNCHOJJTEMKKQP-FQEVSTJZSA-O 1 2 459.979 4.759 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000261363464 570168050 /nfs/dbraw/zinc/16/80/50/570168050.db2.gz SIVRORHFYDEXOB-DEOSSOPVSA-O 1 2 457.535 4.564 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(C)c1 ZINC000261363967 570168173 /nfs/dbraw/zinc/16/81/73/570168173.db2.gz ITWJAIXEMJUPJP-DEOSSOPVSA-O 1 2 465.599 4.649 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OCC)cc1 ZINC000261364237 570168450 /nfs/dbraw/zinc/16/84/50/570168450.db2.gz KCOLGLDYBQWZDY-XMMPIXPASA-O 1 2 465.599 4.731 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1c(Cl)cccc1Cl ZINC000261364876 570168697 /nfs/dbraw/zinc/16/86/97/570168697.db2.gz OJOVPMLSFABSCA-HXUWFJFHSA-O 1 2 462.382 4.859 40 0 JJABLO COC(=O)c1c2c(sc1NC(=O)CSCc1c(Cl)cccc1Cl)C[N@@H+](C)CC2 ZINC000408576527 570205958 /nfs/dbraw/zinc/20/59/58/570205958.db2.gz VUSOCYLAMSESQB-UHFFFAOYSA-N 1 2 459.420 4.701 40 0 JJABLO COC(=O)c1c2c(sc1NC(=O)CSCc1c(Cl)cccc1Cl)C[N@H+](C)CC2 ZINC000408576527 570205959 /nfs/dbraw/zinc/20/59/59/570205959.db2.gz VUSOCYLAMSESQB-UHFFFAOYSA-N 1 2 459.420 4.701 40 0 JJABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000015675704 291545797 /nfs/dbraw/zinc/54/57/97/291545797.db2.gz YWLLAAAXWHVEGS-FQEVSTJZSA-N 1 2 455.440 4.787 40 0 biogenic,in-vitro JJABLO Cc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000000932738 193984158 /nfs/dbraw/zinc/98/41/58/193984158.db2.gz PLXDPIPKYGOJHJ-UHFFFAOYSA-N 1 2 486.037 4.906 40 0 JJABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)Nc1nc2c(s1)CCCC2 ZINC000001346533 194099169 /nfs/dbraw/zinc/09/91/69/194099169.db2.gz XDGWNRPIXNAHGD-UHFFFAOYSA-N 1 2 456.984 4.535 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374092 194108169 /nfs/dbraw/zinc/10/81/69/194108169.db2.gz WIGCOIGGIHTXFQ-HSZRJFAPSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374092 194108172 /nfs/dbraw/zinc/10/81/72/194108172.db2.gz WIGCOIGGIHTXFQ-HSZRJFAPSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374305 194108557 /nfs/dbraw/zinc/10/85/57/194108557.db2.gz YNELZXIJAKFVMC-AREMUKBSSA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374305 194108560 /nfs/dbraw/zinc/10/85/60/194108560.db2.gz YNELZXIJAKFVMC-AREMUKBSSA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374411 194108774 /nfs/dbraw/zinc/10/87/74/194108774.db2.gz VTFLIGUNCWGADI-MHZLTWQESA-N 1 2 494.599 4.725 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374411 194108776 /nfs/dbraw/zinc/10/87/76/194108776.db2.gz VTFLIGUNCWGADI-MHZLTWQESA-N 1 2 494.599 4.725 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374378 194108790 /nfs/dbraw/zinc/10/87/90/194108790.db2.gz WINDIBDCLKIIQL-DEOSSOPVSA-N 1 2 492.599 4.961 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374378 194108793 /nfs/dbraw/zinc/10/87/93/194108793.db2.gz WINDIBDCLKIIQL-DEOSSOPVSA-N 1 2 492.599 4.961 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374313 194108807 /nfs/dbraw/zinc/10/88/07/194108807.db2.gz XUZIDBSDKPUFKZ-QHCPKHFHSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374313 194108810 /nfs/dbraw/zinc/10/88/10/194108810.db2.gz XUZIDBSDKPUFKZ-QHCPKHFHSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375167 194109351 /nfs/dbraw/zinc/10/93/51/194109351.db2.gz XTTIKSCLAINOGN-XMMPIXPASA-N 1 2 488.617 4.988 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375167 194109353 /nfs/dbraw/zinc/10/93/53/194109353.db2.gz XTTIKSCLAINOGN-XMMPIXPASA-N 1 2 488.617 4.988 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2ccc(C)cc2[nH]c1=O ZINC000057589609 195351358 /nfs/dbraw/zinc/35/13/58/195351358.db2.gz PGBULIONUIJGCB-SANMLTNESA-N 1 2 482.563 4.622 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2ccc(C)cc2[nH]c1=O ZINC000057589609 195351361 /nfs/dbraw/zinc/35/13/61/195351361.db2.gz PGBULIONUIJGCB-SANMLTNESA-N 1 2 482.563 4.622 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589649 195351555 /nfs/dbraw/zinc/35/15/55/195351555.db2.gz DRBCPDOCXQRIER-VWLOTQADSA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589649 195351557 /nfs/dbraw/zinc/35/15/57/195351557.db2.gz DRBCPDOCXQRIER-VWLOTQADSA-N 1 2 456.594 4.858 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642046 195356161 /nfs/dbraw/zinc/35/61/61/195356161.db2.gz PDQMPBGPOXUIFA-BJKOFHAPSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642046 195356164 /nfs/dbraw/zinc/35/61/64/195356164.db2.gz PDQMPBGPOXUIFA-BJKOFHAPSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642041 195356232 /nfs/dbraw/zinc/35/62/32/195356232.db2.gz PDQMPBGPOXUIFA-ZEQRLZLVSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642041 195356234 /nfs/dbraw/zinc/35/62/34/195356234.db2.gz PDQMPBGPOXUIFA-ZEQRLZLVSA-N 1 2 478.641 4.769 40 0 JJABLO COc1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc(OC)c1OC ZINC000049155508 522376948 /nfs/dbraw/zinc/37/69/48/522376948.db2.gz SKUWGQPFEAIHQJ-NRFANRHFSA-N 1 2 473.533 4.557 40 0 biogenic,in-vitro JJABLO COc1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc(OC)c1OC ZINC000049155508 522376961 /nfs/dbraw/zinc/37/69/61/522376961.db2.gz SKUWGQPFEAIHQJ-NRFANRHFSA-N 1 2 473.533 4.557 40 0 biogenic,in-vitro JJABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2Cl)c1 ZINC000044948882 524160888 /nfs/dbraw/zinc/16/08/88/524160888.db2.gz QERQWOLDVJVLRU-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC000020488382 525272878 /nfs/dbraw/zinc/27/28/78/525272878.db2.gz MNYDVRHCFPSIML-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO O=C(c1ccc(Br)cc1)N(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000000882187 553819006 /nfs/dbraw/zinc/81/90/06/553819006.db2.gz NBDFMGBYTAGAOX-UHFFFAOYSA-N 1 2 486.435 4.942 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000001336877 553951509 /nfs/dbraw/zinc/95/15/09/553951509.db2.gz LBMKNRJQXLLTQD-ISKFKSNPSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000001336877 553951511 /nfs/dbraw/zinc/95/15/11/553951511.db2.gz LBMKNRJQXLLTQD-ISKFKSNPSA-N 1 2 480.657 4.655 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494523 555405044 /nfs/dbraw/zinc/40/50/44/555405044.db2.gz NQAIVJHASAWFED-NRFANRHFSA-N 1 2 450.612 4.793 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494523 555405046 /nfs/dbraw/zinc/40/50/46/555405046.db2.gz NQAIVJHASAWFED-NRFANRHFSA-N 1 2 450.612 4.793 40 0 JJABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498844 555425102 /nfs/dbraw/zinc/42/51/02/555425102.db2.gz TYBHDSUOGTXCEE-HSZRJFAPSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498844 555425105 /nfs/dbraw/zinc/42/51/05/555425105.db2.gz TYBHDSUOGTXCEE-HSZRJFAPSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498994 555426778 /nfs/dbraw/zinc/42/67/78/555426778.db2.gz XXJZAQSTKHWHBL-XMMPIXPASA-N 1 2 473.625 4.681 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498994 555426782 /nfs/dbraw/zinc/42/67/82/555426782.db2.gz XXJZAQSTKHWHBL-XMMPIXPASA-N 1 2 473.625 4.681 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499011 555427161 /nfs/dbraw/zinc/42/71/61/555427161.db2.gz RIPXTVCAQJJNDV-URXFXBBRSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499011 555427163 /nfs/dbraw/zinc/42/71/63/555427163.db2.gz RIPXTVCAQJJNDV-URXFXBBRSA-N 1 2 480.657 4.655 40 0 JJABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499128 555428468 /nfs/dbraw/zinc/42/84/68/555428468.db2.gz IEDKJRAHJOMPDJ-UKILVPOCSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499128 555428470 /nfs/dbraw/zinc/42/84/70/555428470.db2.gz IEDKJRAHJOMPDJ-UKILVPOCSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499157 555428832 /nfs/dbraw/zinc/42/88/32/555428832.db2.gz OVYIFUVEUVIILD-SANMLTNESA-N 1 2 497.603 4.567 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499157 555428834 /nfs/dbraw/zinc/42/88/34/555428834.db2.gz OVYIFUVEUVIILD-SANMLTNESA-N 1 2 497.603 4.567 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499348 555430960 /nfs/dbraw/zinc/43/09/60/555430960.db2.gz KZMBAFZUHACYIS-ZCYQVOJMSA-N 1 2 494.640 4.551 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499348 555430963 /nfs/dbraw/zinc/43/09/63/555430963.db2.gz KZMBAFZUHACYIS-ZCYQVOJMSA-N 1 2 494.640 4.551 40 0 JJABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500480 555440453 /nfs/dbraw/zinc/44/04/53/555440453.db2.gz CNLMMQHWTACJHD-XMMPIXPASA-N 1 2 488.617 4.925 40 0 JJABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500480 555440458 /nfs/dbraw/zinc/44/04/58/555440458.db2.gz CNLMMQHWTACJHD-XMMPIXPASA-N 1 2 488.617 4.925 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500779 555443833 /nfs/dbraw/zinc/44/38/33/555443833.db2.gz XLVKLMSNOOBSDK-AHWVRZQESA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500779 555443836 /nfs/dbraw/zinc/44/38/36/555443836.db2.gz XLVKLMSNOOBSDK-AHWVRZQESA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500878 555444758 /nfs/dbraw/zinc/44/47/58/555444758.db2.gz ZXABNPZDTYUJKL-UKILVPOCSA-N 1 2 478.641 4.851 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500878 555444761 /nfs/dbraw/zinc/44/47/61/555444761.db2.gz ZXABNPZDTYUJKL-UKILVPOCSA-N 1 2 478.641 4.851 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000013503386 555460959 /nfs/dbraw/zinc/46/09/59/555460959.db2.gz GYOYSINJCNQAPH-SANMLTNESA-N 1 2 469.637 4.895 40 0 JJABLO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000013564958 555500328 /nfs/dbraw/zinc/50/03/28/555500328.db2.gz QDXUDWWIECGMFB-UHFFFAOYSA-N 1 2 478.593 4.885 40 0 JJABLO Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)C[NH+]4CCCCC4)n3)ccc21 ZINC000013564959 555500350 /nfs/dbraw/zinc/50/03/50/555500350.db2.gz WONGDXZTEMFFPR-UHFFFAOYSA-N 1 2 460.603 4.746 40 0 JJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2Cl)c1 ZINC000020105818 555639331 /nfs/dbraw/zinc/63/93/31/555639331.db2.gz MNSDQPHOXPYNFR-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017229 555858363 /nfs/dbraw/zinc/85/83/63/555858363.db2.gz KXIYTCKJVXACKI-BDYUSTAISA-N 1 2 459.977 4.928 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000019221062 556335340 /nfs/dbraw/zinc/33/53/40/556335340.db2.gz DVPJEVMANUFARS-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000019221062 556335342 /nfs/dbraw/zinc/33/53/42/556335342.db2.gz DVPJEVMANUFARS-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1C ZINC000019234216 556336389 /nfs/dbraw/zinc/33/63/89/556336389.db2.gz SVHSZULLDTZTBJ-AREMUKBSSA-N 1 2 468.605 4.784 40 0 JJABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1C ZINC000019234216 556336390 /nfs/dbraw/zinc/33/63/90/556336390.db2.gz SVHSZULLDTZTBJ-AREMUKBSSA-N 1 2 468.605 4.784 40 0 JJABLO CC1(C)[C@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000067890366 560050117 /nfs/dbraw/zinc/05/01/17/560050117.db2.gz WRDSZFPKBUUXTL-IBVKSMDESA-N 1 2 491.611 4.915 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccccn2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111963 560060981 /nfs/dbraw/zinc/06/09/81/560060981.db2.gz SKXUAHMMCMKLNB-UNMCSNQZSA-N 1 2 469.463 4.549 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccccn2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111963 560060982 /nfs/dbraw/zinc/06/09/82/560060982.db2.gz SKXUAHMMCMKLNB-UNMCSNQZSA-N 1 2 469.463 4.549 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2cccnc2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111964 560061057 /nfs/dbraw/zinc/06/10/57/560061057.db2.gz JYNHVCSWFPENGU-UNMCSNQZSA-N 1 2 469.463 4.549 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2cccnc2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111964 560061060 /nfs/dbraw/zinc/06/10/60/560061060.db2.gz JYNHVCSWFPENGU-UNMCSNQZSA-N 1 2 469.463 4.549 40 0 biogenic,in-vitro JJABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000033937225 569638734 /nfs/dbraw/zinc/63/87/34/569638734.db2.gz KFVXNDSBXOYGSF-ILBGXUMGSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000033937225 569638735 /nfs/dbraw/zinc/63/87/35/569638735.db2.gz KFVXNDSBXOYGSF-ILBGXUMGSA-N 1 2 478.641 4.707 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937364 569639075 /nfs/dbraw/zinc/63/90/75/569639075.db2.gz UQDJLHIVBPLQOL-GGAORHGYSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937364 569639077 /nfs/dbraw/zinc/63/90/77/569639077.db2.gz UQDJLHIVBPLQOL-GGAORHGYSA-N 1 2 492.649 4.607 40 0 JJABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216457 569700528 /nfs/dbraw/zinc/70/05/28/569700528.db2.gz HNKYIMWJIGRFKP-QFIPXVFZSA-N 1 2 466.582 4.612 40 0 JJABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCN3C(=O)OCc3ccccc3)c[nH+]2)CC1 ZINC000072216397 569700534 /nfs/dbraw/zinc/70/05/34/569700534.db2.gz MZPMHQKYPJZEJG-QFIPXVFZSA-N 1 2 466.582 4.612 40 0 JJABLO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000101016020 569779445 /nfs/dbraw/zinc/77/94/45/569779445.db2.gz KXIYTCKJVXACKI-AHKZPQOWSA-N 1 2 459.977 4.928 40 0 JJABLO Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1 ZINC000223179160 569902260 /nfs/dbraw/zinc/90/22/60/569902260.db2.gz CFBMKWUQHNBJMP-JWQCQUIFSA-N 1 2 494.686 4.829 40 0 JJABLO Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)ccc1Cl ZINC000223197980 569903084 /nfs/dbraw/zinc/90/30/84/569903084.db2.gz BUNJOKUPJAZLMF-RPBOFIJWSA-N 1 2 496.080 4.529 40 0 JJABLO Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223202648 569903337 /nfs/dbraw/zinc/90/33/37/569903337.db2.gz CQHKMYZYHWEPAG-JWQCQUIFSA-N 1 2 497.064 4.998 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867483 569925691 /nfs/dbraw/zinc/92/56/91/569925691.db2.gz ZBBWLDYWSLIWPV-DQEYMECFSA-N 1 2 455.587 4.821 40 0 JJABLO COc1ccc(OCc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2OC)cc1 ZINC000224272554 569938821 /nfs/dbraw/zinc/93/88/21/569938821.db2.gz OKRIFODMRIPPKW-RMKNXTFCSA-N 1 2 472.585 4.754 40 0 JJABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1C ZINC000224377535 569942533 /nfs/dbraw/zinc/94/25/33/569942533.db2.gz NADIJWYYIRTEBI-UHFFFAOYSA-N 1 2 488.584 4.659 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 ZINC000224611447 569950703 /nfs/dbraw/zinc/95/07/03/569950703.db2.gz ZBYJQPCSAKANOX-JWQCQUIFSA-N 1 2 455.587 4.821 40 0 JJABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000224956457 569965002 /nfs/dbraw/zinc/96/50/02/569965002.db2.gz UWGBFUQVGLVBCJ-UHFFFAOYSA-N 1 2 471.623 4.503 40 0 JJABLO O=c1sc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)ccc2n1Cc1ccccc1 ZINC000224981230 569967059 /nfs/dbraw/zinc/96/70/59/569967059.db2.gz KWMANQUKQJXTIP-UHFFFAOYSA-N 1 2 479.627 4.902 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)cc1 ZINC000225510732 570001104 /nfs/dbraw/zinc/00/11/04/570001104.db2.gz JNPMWCACZOMYNR-SXOMAYOGSA-N 1 2 496.640 4.550 40 0 JJABLO CCCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000408702671 570022805 /nfs/dbraw/zinc/02/28/05/570022805.db2.gz CIXDKIKXFVUBMZ-XMMPIXPASA-N 1 2 461.566 4.826 40 0 JJABLO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225910061 570027232 /nfs/dbraw/zinc/02/72/32/570027232.db2.gz FMWYIUJSLRGDKA-QGZVFWFLSA-N 1 2 490.460 4.899 40 0 JJABLO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225910061 570027234 /nfs/dbraw/zinc/02/72/34/570027234.db2.gz FMWYIUJSLRGDKA-QGZVFWFLSA-N 1 2 490.460 4.899 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500337 570101463 /nfs/dbraw/zinc/10/14/63/570101463.db2.gz DHPCKYINRZNQPS-JWQCQUIFSA-N 1 2 486.620 4.724 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500337 570101464 /nfs/dbraw/zinc/10/14/64/570101464.db2.gz DHPCKYINRZNQPS-JWQCQUIFSA-N 1 2 486.620 4.724 40 0 JJABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500365 570101506 /nfs/dbraw/zinc/10/15/06/570101506.db2.gz HKSVBQKPLSSPTP-VWNXMTODSA-N 1 2 490.608 4.707 40 0 JJABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500365 570101507 /nfs/dbraw/zinc/10/15/07/570101507.db2.gz HKSVBQKPLSSPTP-VWNXMTODSA-N 1 2 490.608 4.707 40 0 JJABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253500347 570101551 /nfs/dbraw/zinc/10/15/51/570101551.db2.gz DYZYWMBGQWJPTH-RSXGOPAZSA-N 1 2 486.620 4.814 40 0 JJABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253500347 570101552 /nfs/dbraw/zinc/10/15/52/570101552.db2.gz DYZYWMBGQWJPTH-RSXGOPAZSA-N 1 2 486.620 4.814 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500412 570101716 /nfs/dbraw/zinc/10/17/16/570101716.db2.gz KPTINNIGSLQSFT-ISKFKSNPSA-N 1 2 496.656 4.993 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500412 570101717 /nfs/dbraw/zinc/10/17/17/570101717.db2.gz KPTINNIGSLQSFT-ISKFKSNPSA-N 1 2 496.656 4.993 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500442 570102015 /nfs/dbraw/zinc/10/20/15/570102015.db2.gz OJCNIAUTOGYCLR-ISKFKSNPSA-N 1 2 464.614 4.873 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500442 570102016 /nfs/dbraw/zinc/10/20/16/570102016.db2.gz OJCNIAUTOGYCLR-ISKFKSNPSA-N 1 2 464.614 4.873 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500472 570102045 /nfs/dbraw/zinc/10/20/45/570102045.db2.gz PYCJKKTXNQRBOS-NOZRDPDXSA-N 1 2 494.640 4.963 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500472 570102046 /nfs/dbraw/zinc/10/20/46/570102046.db2.gz PYCJKKTXNQRBOS-NOZRDPDXSA-N 1 2 494.640 4.963 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500557 570102200 /nfs/dbraw/zinc/10/22/00/570102200.db2.gz WQFNPHBXWVTAOO-NFBKMPQASA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500557 570102201 /nfs/dbraw/zinc/10/22/01/570102201.db2.gz WQFNPHBXWVTAOO-NFBKMPQASA-N 1 2 466.630 4.821 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500618 570102343 /nfs/dbraw/zinc/10/23/43/570102343.db2.gz YSEXMAVBWHTXLN-NOZRDPDXSA-N 1 2 490.608 4.715 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500618 570102344 /nfs/dbraw/zinc/10/23/44/570102344.db2.gz YSEXMAVBWHTXLN-NOZRDPDXSA-N 1 2 490.608 4.715 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500599 570102352 /nfs/dbraw/zinc/10/23/52/570102352.db2.gz XXASKGYPQODRGW-ZJSXRUAMSA-N 1 2 492.649 4.875 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500599 570102353 /nfs/dbraw/zinc/10/23/53/570102353.db2.gz XXASKGYPQODRGW-ZJSXRUAMSA-N 1 2 492.649 4.875 40 0 JJABLO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000257203107 570108746 /nfs/dbraw/zinc/10/87/46/570108746.db2.gz AOSHVPZBRLFVLZ-QFIPXVFZSA-N 1 2 458.953 4.601 40 0 JJABLO Cc1ccc(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)s1 ZINC000257209075 570110643 /nfs/dbraw/zinc/11/06/43/570110643.db2.gz BOVXCKOFPNDLEG-XMMPIXPASA-N 1 2 463.043 4.763 40 0 JJABLO Cc1ccc(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)s1 ZINC000257209075 570110646 /nfs/dbraw/zinc/11/06/46/570110646.db2.gz BOVXCKOFPNDLEG-XMMPIXPASA-N 1 2 463.043 4.763 40 0 JJABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000257220727 570114292 /nfs/dbraw/zinc/11/42/92/570114292.db2.gz DLWZVAHTIPTWES-AHKZPQOWSA-N 1 2 472.601 4.874 40 0 JJABLO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000257220727 570114293 /nfs/dbraw/zinc/11/42/93/570114293.db2.gz DLWZVAHTIPTWES-AHKZPQOWSA-N 1 2 472.601 4.874 40 0 JJABLO Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(N)[nH+]c3)nc2)C1 ZINC000257235298 570118752 /nfs/dbraw/zinc/11/87/52/570118752.db2.gz GXFRVJSPAZUUDP-OAQYLSRUSA-N 1 2 466.545 4.636 40 0 JJABLO Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000257236289 570119044 /nfs/dbraw/zinc/11/90/44/570119044.db2.gz HBMUFDLCXUYTTA-QHCPKHFHSA-N 1 2 453.546 4.842 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257246696 570122147 /nfs/dbraw/zinc/12/21/47/570122147.db2.gz IVKFRQPSOMAZJF-XUZZJYLKSA-N 1 2 474.026 4.819 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257246696 570122148 /nfs/dbraw/zinc/12/21/48/570122148.db2.gz IVKFRQPSOMAZJF-XUZZJYLKSA-N 1 2 474.026 4.819 40 0 JJABLO CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3C[N@H+](CC(=O)Nc4ccc(C(C)=O)cc4)CC[C@@H]3O[C@H]21 ZINC000257259933 570126218 /nfs/dbraw/zinc/12/62/18/570126218.db2.gz LASCCEMFTAESIB-VETGKBFTSA-N 1 2 492.616 4.866 40 0 JJABLO CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3C[N@@H+](CC(=O)Nc4ccc(C(C)=O)cc4)CC[C@@H]3O[C@H]21 ZINC000257259933 570126220 /nfs/dbraw/zinc/12/62/20/570126220.db2.gz LASCCEMFTAESIB-VETGKBFTSA-N 1 2 492.616 4.866 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)nc1-c1ccc(F)cc1 ZINC000257270556 570129719 /nfs/dbraw/zinc/12/97/19/570129719.db2.gz MUSGXQTYVAMZGD-NVQXNPDNSA-N 1 2 481.593 4.646 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)nc1-c1ccc(F)cc1 ZINC000257270556 570129720 /nfs/dbraw/zinc/12/97/20/570129720.db2.gz MUSGXQTYVAMZGD-NVQXNPDNSA-N 1 2 481.593 4.646 40 0 JJABLO Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccc(-c4ccc(N)[nH+]c4)nc3)C2)n1 ZINC000257281908 570133273 /nfs/dbraw/zinc/13/32/73/570133273.db2.gz ORKKRLMPYSZIGY-OAQYLSRUSA-N 1 2 466.545 4.636 40 0 JJABLO Cc1cc(Nc2cc(C3CCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)CC3)nc(C)n2)n[nH]1 ZINC000257282904 570133560 /nfs/dbraw/zinc/13/35/60/570133560.db2.gz OVUWMHXJKRDLKQ-UHFFFAOYSA-N 1 2 486.624 4.515 40 0 JJABLO Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C3)n2)c1 ZINC000257295629 570137086 /nfs/dbraw/zinc/13/70/86/570137086.db2.gz QZEXNNWPKFNXCG-QHCPKHFHSA-N 1 2 453.546 4.842 40 0 JJABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccccc4)C3)sc2c1 ZINC000257300130 570138454 /nfs/dbraw/zinc/13/84/54/570138454.db2.gz RTAINVXYRGFIFV-JYFHCDHNSA-N 1 2 483.634 4.564 40 0 JJABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccccc4)C3)sc2c1 ZINC000257300130 570138456 /nfs/dbraw/zinc/13/84/56/570138456.db2.gz RTAINVXYRGFIFV-JYFHCDHNSA-N 1 2 483.634 4.564 40 0 JJABLO Cn1c(-c2ccc(F)cc2)c[nH+]c1Nc1cccc([C@H]2CN(C(=O)C3CCCCC3)CCO2)n1 ZINC000257307980 570140751 /nfs/dbraw/zinc/14/07/51/570140751.db2.gz TUYKEDJTSVDOFL-HSZRJFAPSA-N 1 2 463.557 4.845 40 0 JJABLO COc1ccc(Oc2cncc(C3CCN(C(=O)c4ccccc4Cn4cc[nH+]c4)CC3)n2)cc1 ZINC000257322870 570145403 /nfs/dbraw/zinc/14/54/03/570145403.db2.gz WHTWUTLZZUJQHW-UHFFFAOYSA-N 1 2 469.545 4.542 40 0 JJABLO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000257325861 570146167 /nfs/dbraw/zinc/14/61/67/570146167.db2.gz WUTNBFZPCMGYHY-DEOSSOPVSA-N 1 2 470.552 4.571 40 0 JJABLO Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000257325753 570146216 /nfs/dbraw/zinc/14/62/16/570146216.db2.gz WUGNNLYTBXQYMZ-HSZRJFAPSA-N 1 2 453.546 4.842 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)nc1-c1ccccc1 ZINC000257326906 570146542 /nfs/dbraw/zinc/14/65/42/570146542.db2.gz WZBSEXCBZNQHBK-KCWPFWIISA-N 1 2 477.630 4.897 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)nc1-c1ccccc1 ZINC000257326906 570146543 /nfs/dbraw/zinc/14/65/43/570146543.db2.gz WZBSEXCBZNQHBK-KCWPFWIISA-N 1 2 477.630 4.897 40 0 JJABLO CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)[C@H]3C[C@@H]21 ZINC000257329462 570147347 /nfs/dbraw/zinc/14/73/47/570147347.db2.gz XKBTWEGDPKVXJK-NLJWQWLVSA-N 1 2 457.574 4.853 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257331809 570148104 /nfs/dbraw/zinc/14/81/04/570148104.db2.gz XUITXWPAJYCYSY-RUZDIDTESA-N 1 2 457.965 4.943 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3F)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409180385 570158841 /nfs/dbraw/zinc/15/88/41/570158841.db2.gz WTCQUSHCSNWFMR-XMMPIXPASA-N 1 2 480.540 4.680 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3F)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409180385 570158842 /nfs/dbraw/zinc/15/88/42/570158842.db2.gz WTCQUSHCSNWFMR-XMMPIXPASA-N 1 2 480.540 4.680 40 0 JJABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)ccc1O ZINC000261361914 570167336 /nfs/dbraw/zinc/16/73/36/570167336.db2.gz DFPXLNHBGIKFTF-QHCPKHFHSA-O 1 2 459.551 4.506 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OCC)c1 ZINC000261362061 570167384 /nfs/dbraw/zinc/16/73/84/570167384.db2.gz BZADDBYOGHLKLT-XMMPIXPASA-O 1 2 465.599 4.731 40 0 JJABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1O ZINC000261361847 570167399 /nfs/dbraw/zinc/16/73/99/570167399.db2.gz BFRFQCDSGWVMDT-QFIPXVFZSA-O 1 2 479.969 4.769 40 0 JJABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)ccc1O ZINC000261361913 570167427 /nfs/dbraw/zinc/16/74/27/570167427.db2.gz DFPXLNHBGIKFTF-HSZRJFAPSA-O 1 2 459.551 4.506 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000261363649 570167997 /nfs/dbraw/zinc/16/79/97/570167997.db2.gz VDQYLRQKUBVPHI-QHCPKHFHSA-O 1 2 479.969 4.994 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261364925 570168941 /nfs/dbraw/zinc/16/89/41/570168941.db2.gz OSPKJAFTWSDDCQ-JOCHJYFZSA-O 1 2 469.587 4.504 40 0 JJABLO O=c1[nH]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@H]2c1cccc(O)c1Cl ZINC000261365730 570169265 /nfs/dbraw/zinc/16/92/65/570169265.db2.gz UXONMKKSJNQGHY-OAQYLSRUSA-O 1 2 467.933 4.900 40 0 JJABLO CCC(=O)N1c2ccc(Br)cc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(Cl)cc1 ZINC000261366092 570169420 /nfs/dbraw/zinc/16/94/20/570169420.db2.gz XIEQIOIAPXPBLI-LJQANCHMSA-O 1 2 492.806 4.578 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328973682 570180107 /nfs/dbraw/zinc/18/01/07/570180107.db2.gz FCKFEDHCCSQXRV-HXUWFJFHSA-N 1 2 464.463 5.222 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409243214 570182863 /nfs/dbraw/zinc/18/28/63/570182863.db2.gz QORSJZCFXZXTSO-KGENOOAVSA-N 1 2 480.977 4.872 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329046530 570182919 /nfs/dbraw/zinc/18/29/19/570182919.db2.gz UBSLGZHDDDDIKZ-HXUWFJFHSA-N 1 2 482.453 5.361 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000001328308 194088581 /nfs/dbraw/zinc/08/85/81/194088581.db2.gz YFAPUEATDVUDJG-DEOSSOPVSA-N 1 2 476.028 4.931 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374714 194108978 /nfs/dbraw/zinc/10/89/78/194108978.db2.gz RLKVPACHXNJULL-AREMUKBSSA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374714 194108980 /nfs/dbraw/zinc/10/89/80/194108980.db2.gz RLKVPACHXNJULL-AREMUKBSSA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374485 194108986 /nfs/dbraw/zinc/10/89/86/194108986.db2.gz PKGRAGDWZUVKEJ-SANMLTNESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374485 194108987 /nfs/dbraw/zinc/10/89/87/194108987.db2.gz PKGRAGDWZUVKEJ-SANMLTNESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374626 194109146 /nfs/dbraw/zinc/10/91/46/194109146.db2.gz YFXQTMBWHBOSSR-DEOSSOPVSA-N 1 2 474.609 4.822 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374626 194109149 /nfs/dbraw/zinc/10/91/49/194109149.db2.gz YFXQTMBWHBOSSR-DEOSSOPVSA-N 1 2 474.609 4.822 40 0 JJABLO CCCCNc1nc2nc(NCCCC)[nH+]c3c(Br)cc(Br)c(n1)-n-2-3 ZINC000001587400 194128627 /nfs/dbraw/zinc/12/86/27/194128627.db2.gz QGDWXIRVSCMHHR-UHFFFAOYSA-N 1 2 471.201 4.549 40 0 JJABLO CCCCNc1nc2[nH+]c(NCCCC)nc3c(Br)cc(Br)c(n1)-n-2-3 ZINC000001587400 194128631 /nfs/dbraw/zinc/12/86/31/194128631.db2.gz QGDWXIRVSCMHHR-UHFFFAOYSA-N 1 2 471.201 4.549 40 0 JJABLO CCOc1ccc2nc(NC(=O)CSc3[nH+]cnc4c3cnn4-c3ccc(OC)cc3)sc2c1 ZINC000012643576 195072597 /nfs/dbraw/zinc/07/25/97/195072597.db2.gz MBWBFEFNIKQCMJ-UHFFFAOYSA-N 1 2 492.586 4.563 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NS(=O)(=O)c4ccc(C)cc4)cc3n2)c(C)c1 ZINC000020611079 195184545 /nfs/dbraw/zinc/18/45/45/195184545.db2.gz XCDWZNBSXKYANW-UHFFFAOYSA-N 1 2 463.607 4.993 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584893 195350967 /nfs/dbraw/zinc/35/09/67/195350967.db2.gz WLBZRQUXWWBARD-VWLOTQADSA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584893 195350970 /nfs/dbraw/zinc/35/09/70/195350970.db2.gz WLBZRQUXWWBARD-VWLOTQADSA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584906 195351092 /nfs/dbraw/zinc/35/10/92/195351092.db2.gz IGMTYIVMCPTTMK-HHHXNRCGSA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584906 195351095 /nfs/dbraw/zinc/35/10/95/195351095.db2.gz IGMTYIVMCPTTMK-HHHXNRCGSA-N 1 2 478.600 4.791 40 0 JJABLO CCC[N@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCCOC)[C@@H]1CCc2ccccc21 ZINC000058162844 195369564 /nfs/dbraw/zinc/36/95/64/195369564.db2.gz FWCDXVPVNVDOBH-JOCHJYFZSA-N 1 2 477.634 4.574 40 0 JJABLO CCC[N@@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCCOC)[C@@H]1CCc2ccccc21 ZINC000058162844 195369567 /nfs/dbraw/zinc/36/95/67/195369567.db2.gz FWCDXVPVNVDOBH-JOCHJYFZSA-N 1 2 477.634 4.574 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000013503406 521372744 /nfs/dbraw/zinc/37/27/44/521372744.db2.gz ZVRMXNGNUCWCAC-SANMLTNESA-N 1 2 469.637 4.895 40 0 JJABLO CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2C[C@@]4(C)C[C@@H]2CC(C)(C)C4)cn3C2CC2)CC1 ZINC000013683862 521696480 /nfs/dbraw/zinc/69/64/80/521696480.db2.gz MQTIADBPPCCQMI-WRONEBCDSA-N 1 2 494.655 4.658 40 0 JJABLO Cc1cc2c(cc1Br)C(=O)[C@](C[NH+]1CCOCC1)(Sc1ccc(Cl)cc1)CO2 ZINC000016284147 525592652 /nfs/dbraw/zinc/59/26/52/525592652.db2.gz KDJOHQUONRDNSM-OAQYLSRUSA-N 1 2 482.827 4.849 40 0 JJABLO Cc1nn(Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c(C)c1Cl ZINC000028306210 526288326 /nfs/dbraw/zinc/28/83/26/526288326.db2.gz CAPVPNHXHSABGZ-UHFFFAOYSA-N 1 2 457.405 4.813 40 0 JJABLO O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044949439 526702451 /nfs/dbraw/zinc/70/24/51/526702451.db2.gz GHRBDLHCGVOHBD-JXMROGBWSA-N 1 2 496.032 4.612 40 0 JJABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2nc(C(C)(C)C)cs2)cc1C ZINC000001346463 553955347 /nfs/dbraw/zinc/95/53/47/553955347.db2.gz CADMWANYOULEGA-UHFFFAOYSA-N 1 2 452.609 4.917 40 0 JJABLO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282888 554525921 /nfs/dbraw/zinc/52/59/21/554525921.db2.gz QPHVSCQVKJIKDD-HHHXNRCGSA-N 1 2 498.631 4.682 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498483 555421321 /nfs/dbraw/zinc/42/13/21/555421321.db2.gz TWAYRPCPDWIIEY-DEOSSOPVSA-N 1 2 458.610 4.978 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498483 555421324 /nfs/dbraw/zinc/42/13/24/555421324.db2.gz TWAYRPCPDWIIEY-DEOSSOPVSA-N 1 2 458.610 4.978 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498578 555422366 /nfs/dbraw/zinc/42/23/66/555422366.db2.gz UGCONAQBIGCMAP-SANMLTNESA-N 1 2 482.588 4.864 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498578 555422369 /nfs/dbraw/zinc/42/23/69/555422369.db2.gz UGCONAQBIGCMAP-SANMLTNESA-N 1 2 482.588 4.864 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013498858 555425618 /nfs/dbraw/zinc/42/56/18/555425618.db2.gz CRFBTRPWWUJKPV-LADGPHEKSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013498858 555425620 /nfs/dbraw/zinc/42/56/20/555425620.db2.gz CRFBTRPWWUJKPV-LADGPHEKSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499120 555428498 /nfs/dbraw/zinc/42/84/98/555428498.db2.gz VSCYNKAUNIAKQA-LADGPHEKSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499120 555428499 /nfs/dbraw/zinc/42/84/99/555428499.db2.gz VSCYNKAUNIAKQA-LADGPHEKSA-N 1 2 480.657 4.655 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499450 555431306 /nfs/dbraw/zinc/43/13/06/555431306.db2.gz RSYHNGGXDMIRBQ-UPVQGACJSA-N 1 2 480.657 4.799 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499450 555431308 /nfs/dbraw/zinc/43/13/08/555431308.db2.gz RSYHNGGXDMIRBQ-UPVQGACJSA-N 1 2 480.657 4.799 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500894 555445146 /nfs/dbraw/zinc/44/51/46/555445146.db2.gz KPTINNIGSLQSFT-LADGPHEKSA-N 1 2 496.656 4.581 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500894 555445150 /nfs/dbraw/zinc/44/51/50/555445150.db2.gz KPTINNIGSLQSFT-LADGPHEKSA-N 1 2 496.656 4.581 40 0 JJABLO CCSc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)n1CC ZINC000013565143 555501245 /nfs/dbraw/zinc/50/12/45/555501245.db2.gz VIKBHTJAKCRCMP-ZDUSSCGKSA-N 1 2 475.968 4.900 40 0 JJABLO CCSc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)n1CC ZINC000013565143 555501248 /nfs/dbraw/zinc/50/12/48/555501248.db2.gz VIKBHTJAKCRCMP-ZDUSSCGKSA-N 1 2 475.968 4.900 40 0 JJABLO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000013565769 555502832 /nfs/dbraw/zinc/50/28/32/555502832.db2.gz VNFJODJUBGERLA-UHFFFAOYSA-N 1 2 454.640 4.868 40 0 JJABLO CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2C[C@]4(C)C[C@H]2CC(C)(C)C4)cn3C2CC2)CC1 ZINC000013683866 555577887 /nfs/dbraw/zinc/57/78/87/555577887.db2.gz MQTIADBPPCCQMI-ACSYHNTCSA-N 1 2 494.655 4.658 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccccc4)cc3n2)c(C)c1 ZINC000014275850 555782059 /nfs/dbraw/zinc/78/20/59/555782059.db2.gz NQUXIVOBCCUGJL-UHFFFAOYSA-N 1 2 486.645 4.939 40 0 JJABLO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017230 555858402 /nfs/dbraw/zinc/85/84/02/555858402.db2.gz KXIYTCKJVXACKI-VPUSJEBWSA-N 1 2 459.977 4.928 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2Cl)cc1 ZINC000022532955 555932726 /nfs/dbraw/zinc/93/27/26/555932726.db2.gz AJIQTOTUJCEBLH-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4)cc3n2)cc1 ZINC000022565617 555936003 /nfs/dbraw/zinc/93/60/03/555936003.db2.gz GTBHSLFCKOZIIY-UHFFFAOYSA-N 1 2 458.591 4.702 40 0 JJABLO Cc1ccc([C@H]2C(C(=O)N3CCN(c4ccccc4)CC3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000022572746 555937742 /nfs/dbraw/zinc/93/77/42/555937742.db2.gz RSVRMBGLCOBQMZ-MHZLTWQESA-N 1 2 463.585 4.982 40 0 JJABLO Cc1cc(OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000026781415 556262514 /nfs/dbraw/zinc/26/25/14/556262514.db2.gz DQCFNQNVXIUIDG-DEOSSOPVSA-N 1 2 451.010 4.795 40 0 JJABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111844 560060985 /nfs/dbraw/zinc/06/09/85/560060985.db2.gz DKZIJNXIWBLGFS-UNMCSNQZSA-N 1 2 453.464 4.669 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111844 560060987 /nfs/dbraw/zinc/06/09/87/560060987.db2.gz DKZIJNXIWBLGFS-UNMCSNQZSA-N 1 2 453.464 4.669 40 0 biogenic,in-vitro JJABLO Cn1c(CCc2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)[nH+]c2ccccc21 ZINC000038269497 569801244 /nfs/dbraw/zinc/80/12/44/569801244.db2.gz YAALMUQMUQZMKY-UHFFFAOYSA-N 1 2 452.514 4.541 40 0 JJABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000216481869 569879033 /nfs/dbraw/zinc/87/90/33/569879033.db2.gz DGKYECXLOAKALE-MUUNZHRXSA-N 1 2 482.609 4.619 40 0 JJABLO Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223161151 569901547 /nfs/dbraw/zinc/90/15/47/569901547.db2.gz CNMHZOGQBWWNCB-RPWUZVMVSA-N 1 2 483.037 4.608 40 0 JJABLO Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)ccc1Cl ZINC000223198103 569903112 /nfs/dbraw/zinc/90/31/12/569903112.db2.gz BUNJOKUPJAZLMF-DQEYMECFSA-N 1 2 496.080 4.529 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223546056 569915477 /nfs/dbraw/zinc/91/54/77/569915477.db2.gz FKJSQHNJHFTJSG-LOSJGSFVSA-N 1 2 454.603 4.506 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867425 569925639 /nfs/dbraw/zinc/92/56/39/569925639.db2.gz ZBBWLDYWSLIWPV-LOSJGSFVSA-N 1 2 455.587 4.821 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 ZINC000224611489 569950659 /nfs/dbraw/zinc/95/06/59/569950659.db2.gz ZBYJQPCSAKANOX-RPBOFIJWSA-N 1 2 455.587 4.821 40 0 JJABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)cc(OC)c1OC ZINC000225223725 569983693 /nfs/dbraw/zinc/98/36/93/569983693.db2.gz AHEBTRPGPSQMRP-UHFFFAOYSA-N 1 2 492.645 4.971 40 0 JJABLO CCCCCCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2OC)=C(C)[NH+]=C2N=CNN21 ZINC000408702313 570022393 /nfs/dbraw/zinc/02/23/93/570022393.db2.gz BCGLCEGMWKIUGE-DEOSSOPVSA-N 1 2 461.566 4.826 40 0 JJABLO CCCCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000408702668 570022698 /nfs/dbraw/zinc/02/26/98/570022698.db2.gz CIXDKIKXFVUBMZ-DEOSSOPVSA-N 1 2 461.566 4.826 40 0 JJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500291 570101326 /nfs/dbraw/zinc/10/13/26/570101326.db2.gz AEJKHMIUHPPITC-RSXGOPAZSA-N 1 2 486.620 4.610 40 0 JJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500291 570101328 /nfs/dbraw/zinc/10/13/28/570101328.db2.gz AEJKHMIUHPPITC-RSXGOPAZSA-N 1 2 486.620 4.610 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500366 570101512 /nfs/dbraw/zinc/10/15/12/570101512.db2.gz HQENXTPNTOTHKF-FYYLOGMGSA-N 1 2 466.630 4.821 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500366 570101513 /nfs/dbraw/zinc/10/15/13/570101513.db2.gz HQENXTPNTOTHKF-FYYLOGMGSA-N 1 2 466.630 4.821 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500439 570101872 /nfs/dbraw/zinc/10/18/72/570101872.db2.gz OFBYNTIUXQTIGF-YADHBBJMSA-N 1 2 466.630 4.821 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500439 570101873 /nfs/dbraw/zinc/10/18/73/570101873.db2.gz OFBYNTIUXQTIGF-YADHBBJMSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500530 570102230 /nfs/dbraw/zinc/10/22/30/570102230.db2.gz UVFHVAVAUPLECC-RPBOFIJWSA-N 1 2 486.620 4.610 40 0 JJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500530 570102231 /nfs/dbraw/zinc/10/22/31/570102231.db2.gz UVFHVAVAUPLECC-RPBOFIJWSA-N 1 2 486.620 4.610 40 0 JJABLO Cc1cccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000253500610 570102372 /nfs/dbraw/zinc/10/23/72/570102372.db2.gz YITIWUPQXKKOQV-RSXGOPAZSA-N 1 2 486.620 4.662 40 0 JJABLO Cc1cccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000253500610 570102373 /nfs/dbraw/zinc/10/23/73/570102373.db2.gz YITIWUPQXKKOQV-RSXGOPAZSA-N 1 2 486.620 4.662 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253616909 570105039 /nfs/dbraw/zinc/10/50/39/570105039.db2.gz YAWXWTBZUPBAEB-ISKFKSNPSA-N 1 2 464.614 4.791 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253616909 570105040 /nfs/dbraw/zinc/10/50/40/570105040.db2.gz YAWXWTBZUPBAEB-ISKFKSNPSA-N 1 2 464.614 4.791 40 0 JJABLO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257217038 570113241 /nfs/dbraw/zinc/11/32/41/570113241.db2.gz CXEGFRFHRJPGDE-XUZZJYLKSA-N 1 2 472.010 4.729 40 0 JJABLO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257217038 570113242 /nfs/dbraw/zinc/11/32/42/570113242.db2.gz CXEGFRFHRJPGDE-XUZZJYLKSA-N 1 2 472.010 4.729 40 0 JJABLO Cc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)c1 ZINC000257236299 570119075 /nfs/dbraw/zinc/11/90/75/570119075.db2.gz HBNOZBNXDHMFRZ-QFIPXVFZSA-N 1 2 453.546 4.842 40 0 JJABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 ZINC000257245081 570121622 /nfs/dbraw/zinc/12/16/22/570121622.db2.gz IOAQKBVJNFFYCY-WIOPSUGQSA-N 1 2 456.565 4.896 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257245730 570121687 /nfs/dbraw/zinc/12/16/87/570121687.db2.gz IQWINGIBUYTXLD-XUZZJYLKSA-N 1 2 492.016 4.958 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257245730 570121689 /nfs/dbraw/zinc/12/16/89/570121689.db2.gz IQWINGIBUYTXLD-XUZZJYLKSA-N 1 2 492.016 4.958 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257246403 570122025 /nfs/dbraw/zinc/12/20/25/570122025.db2.gz ITZIBCAIVKTVMH-XMMPIXPASA-N 1 2 473.592 4.664 40 0 JJABLO Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4C[NH+]4CCOCC4)C3)n2)c1 ZINC000257249081 570122957 /nfs/dbraw/zinc/12/29/57/570122957.db2.gz JGTGIOBYBPBVEH-RUZDIDTESA-N 1 2 455.602 4.909 40 0 JJABLO CC(=O)n1cc(C[N@@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)c2ccccc21 ZINC000257253216 570124196 /nfs/dbraw/zinc/12/41/96/570124196.db2.gz JXZZQYXFYAYAJM-JOCHJYFZSA-N 1 2 476.602 4.623 40 0 JJABLO CC(=O)n1cc(C[N@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)c2ccccc21 ZINC000257253216 570124198 /nfs/dbraw/zinc/12/41/98/570124198.db2.gz JXZZQYXFYAYAJM-JOCHJYFZSA-N 1 2 476.602 4.623 40 0 JJABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1ccccc1 ZINC000257254992 570124644 /nfs/dbraw/zinc/12/46/44/570124644.db2.gz KFRCGYVSSTVAER-DHLKQENFSA-N 1 2 462.537 4.691 40 0 JJABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1ccccc1 ZINC000257254992 570124645 /nfs/dbraw/zinc/12/46/45/570124645.db2.gz KFRCGYVSSTVAER-DHLKQENFSA-N 1 2 462.537 4.691 40 0 JJABLO CCn1ccnc1C[NH+]1CCC(COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000257256758 570125276 /nfs/dbraw/zinc/12/52/76/570125276.db2.gz KMTLSZMDCBWBHZ-UHFFFAOYSA-N 1 2 460.622 4.613 40 0 JJABLO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257271404 570129974 /nfs/dbraw/zinc/12/99/74/570129974.db2.gz MYEAGERIMPXYGY-SHQCIBLASA-N 1 2 495.620 4.652 40 0 JJABLO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257271404 570129975 /nfs/dbraw/zinc/12/99/75/570129975.db2.gz MYEAGERIMPXYGY-SHQCIBLASA-N 1 2 495.620 4.652 40 0 JJABLO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccccc1F ZINC000257272208 570130348 /nfs/dbraw/zinc/13/03/48/570130348.db2.gz NBLSMTRMDDHASG-HXUWFJFHSA-N 1 2 455.961 4.896 40 0 JJABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccccc1F ZINC000257272208 570130349 /nfs/dbraw/zinc/13/03/49/570130349.db2.gz NBLSMTRMDDHASG-HXUWFJFHSA-N 1 2 455.961 4.896 40 0 JJABLO Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C3)n2)c1 ZINC000257295628 570137055 /nfs/dbraw/zinc/13/70/55/570137055.db2.gz QZEXNNWPKFNXCG-HSZRJFAPSA-N 1 2 453.546 4.842 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4cccc5ncccc45)C3)c2)nc(C)[nH+]1 ZINC000257298106 570137886 /nfs/dbraw/zinc/13/78/86/570137886.db2.gz RKECAVTWLXXNTO-OAQYLSRUSA-N 1 2 467.573 4.717 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5ncccc45)C3)c2)nc(C)[nH+]1 ZINC000257298105 570137895 /nfs/dbraw/zinc/13/78/95/570137895.db2.gz RKECAVTWLXXNTO-NRFANRHFSA-N 1 2 467.573 4.717 40 0 JJABLO COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccccc2F)o1 ZINC000257303454 570139499 /nfs/dbraw/zinc/13/94/99/570139499.db2.gz SHIFCKWRWYBSKS-HSZRJFAPSA-N 1 2 451.542 4.599 40 0 JJABLO COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccccc2F)o1 ZINC000257303454 570139500 /nfs/dbraw/zinc/13/95/00/570139500.db2.gz SHIFCKWRWYBSKS-HSZRJFAPSA-N 1 2 451.542 4.599 40 0 JJABLO COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)cc1 ZINC000257313986 570142700 /nfs/dbraw/zinc/14/27/00/570142700.db2.gz UUXWKLBCJMOGMO-NRFANRHFSA-N 1 2 469.545 4.542 40 0 JJABLO CN(c1ccccc1)c1ccc(C[C@@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)nn1 ZINC000257327241 570146700 /nfs/dbraw/zinc/14/67/00/570146700.db2.gz XAPIETONUIIKCZ-QHCPKHFHSA-N 1 2 466.589 4.584 40 0 JJABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257332025 570148089 /nfs/dbraw/zinc/14/80/89/570148089.db2.gz XVLAMBSZMZXINO-YTMVLYRLSA-N 1 2 472.585 4.654 40 0 JJABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257332025 570148091 /nfs/dbraw/zinc/14/80/91/570148091.db2.gz XVLAMBSZMZXINO-YTMVLYRLSA-N 1 2 472.585 4.654 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N2NC=NC2=[NH+]1 ZINC000409178972 570158128 /nfs/dbraw/zinc/15/81/28/570158128.db2.gz LPXHUVTTXOLLDW-QFIPXVFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N2NC=[NH+]C2=N1 ZINC000409178972 570158130 /nfs/dbraw/zinc/15/81/30/570158130.db2.gz LPXHUVTTXOLLDW-QFIPXVFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(C)ccc1OC(C)=O ZINC000261362281 570167584 /nfs/dbraw/zinc/16/75/84/570167584.db2.gz CQKPKVMRJNDPIV-RUZDIDTESA-O 1 2 493.609 4.566 40 0 JJABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261362240 570167596 /nfs/dbraw/zinc/16/75/96/570167596.db2.gz CKFKPALRWCXSQU-NRFANRHFSA-O 1 2 494.394 4.870 40 0 JJABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@@H]1c1ccc(C)o1 ZINC000261363509 570168039 /nfs/dbraw/zinc/16/80/39/570168039.db2.gz HFUHWIDPAZATBE-HSZRJFAPSA-O 1 2 479.969 4.897 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Cl)c(O)c(OCC)c1 ZINC000261363869 570168303 /nfs/dbraw/zinc/16/83/03/570168303.db2.gz XXFQXRSCNZIAEI-FQEVSTJZSA-O 1 2 459.979 4.759 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)cc1OC ZINC000261364257 570168346 /nfs/dbraw/zinc/16/83/46/570168346.db2.gz KGEDZQJLGGNUAM-VWLOTQADSA-O 1 2 495.625 4.740 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)C)cc1 ZINC000261364646 570168552 /nfs/dbraw/zinc/16/85/52/570168552.db2.gz MRFVROCALFFBOO-DEOSSOPVSA-O 1 2 465.599 4.730 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000261365032 570168908 /nfs/dbraw/zinc/16/89/08/570168908.db2.gz PNIXUJKWKLVQLD-VWLOTQADSA-O 1 2 471.562 4.954 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261365304 570169089 /nfs/dbraw/zinc/16/90/89/570169089.db2.gz RGRXFDUDBMVFHR-JOCHJYFZSA-O 1 2 465.942 4.685 40 0 JJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(Cl)c1Cl ZINC000261365375 570169109 /nfs/dbraw/zinc/16/91/09/570169109.db2.gz RTGFFSANKANIRQ-FQEVSTJZSA-O 1 2 462.382 4.859 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cccc(O)c1 ZINC000261365680 570169232 /nfs/dbraw/zinc/16/92/32/570169232.db2.gz UOQNGJTVRQRDJZ-LJQANCHMSA-O 1 2 474.404 4.860 40 0 JJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1c(F)cccc1Cl ZINC000261366404 570169567 /nfs/dbraw/zinc/16/95/67/570169567.db2.gz ZMUUFROLMWVCBT-NRFANRHFSA-O 1 2 459.954 4.735 40 0 JJABLO Clc1cc(I)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328960461 570179425 /nfs/dbraw/zinc/17/94/25/570179425.db2.gz AYDLNWVDRZTNMU-UHFFFAOYSA-N 1 2 454.743 4.554 40 0 JJABLO CC[C@@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329038598 570182581 /nfs/dbraw/zinc/18/25/81/570182581.db2.gz RSRMQVCWWIORBV-CYBMUJFWSA-N 1 2 452.427 4.987 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329063975 570183419 /nfs/dbraw/zinc/18/34/19/570183419.db2.gz XGZWLKHCDKXMAU-FQEVSTJZSA-N 1 2 464.463 5.222 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375495 194110086 /nfs/dbraw/zinc/11/00/86/194110086.db2.gz NTSUBKQPODTXIK-RUZDIDTESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375495 194110089 /nfs/dbraw/zinc/11/00/89/194110089.db2.gz NTSUBKQPODTXIK-RUZDIDTESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374374 194108548 /nfs/dbraw/zinc/10/85/48/194108548.db2.gz RLVNRTQFNGZFGM-DEOSSOPVSA-N 1 2 474.609 4.822 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374374 194108551 /nfs/dbraw/zinc/10/85/51/194108551.db2.gz RLVNRTQFNGZFGM-DEOSSOPVSA-N 1 2 474.609 4.822 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374296 194108734 /nfs/dbraw/zinc/10/87/34/194108734.db2.gz NPBOSFGBOWEMKD-VWLOTQADSA-N 1 2 468.561 4.618 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374296 194108737 /nfs/dbraw/zinc/10/87/37/194108737.db2.gz NPBOSFGBOWEMKD-VWLOTQADSA-N 1 2 468.561 4.618 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589740 195351848 /nfs/dbraw/zinc/35/18/48/195351848.db2.gz WZAFVBXDLHSWHY-HHHXNRCGSA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589740 195351850 /nfs/dbraw/zinc/35/18/50/195351850.db2.gz WZAFVBXDLHSWHY-HHHXNRCGSA-N 1 2 478.600 4.791 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640881 195354766 /nfs/dbraw/zinc/35/47/66/195354766.db2.gz HBBNMJVHRKIGCU-RUZDIDTESA-N 1 2 472.593 4.792 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640881 195354768 /nfs/dbraw/zinc/35/47/68/195354768.db2.gz HBBNMJVHRKIGCU-RUZDIDTESA-N 1 2 472.593 4.792 40 0 JJABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2C)c1 ZINC000022509010 524159942 /nfs/dbraw/zinc/15/99/42/524159942.db2.gz NAHJRJKLKUQZLS-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2)cc1 ZINC000022509032 525603854 /nfs/dbraw/zinc/60/38/54/525603854.db2.gz OAIYLXADIALPOC-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000020454390 527374078 /nfs/dbraw/zinc/37/40/78/527374078.db2.gz UMDDSLWJPIEHPH-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494458 555404552 /nfs/dbraw/zinc/40/45/52/555404552.db2.gz BDYPFJZFWYTSDQ-DEOSSOPVSA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494458 555404554 /nfs/dbraw/zinc/40/45/54/555404554.db2.gz BDYPFJZFWYTSDQ-DEOSSOPVSA-N 1 2 474.609 4.740 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494454 555404594 /nfs/dbraw/zinc/40/45/94/555404594.db2.gz JXXRIIQGDCZEAD-XMMPIXPASA-N 1 2 492.599 4.961 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494454 555404595 /nfs/dbraw/zinc/40/45/95/555404595.db2.gz JXXRIIQGDCZEAD-XMMPIXPASA-N 1 2 492.599 4.961 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495155 555407145 /nfs/dbraw/zinc/40/71/45/555407145.db2.gz HWZLRLLJTSAULL-AREMUKBSSA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495155 555407148 /nfs/dbraw/zinc/40/71/48/555407148.db2.gz HWZLRLLJTSAULL-AREMUKBSSA-N 1 2 498.587 4.626 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495523 555408239 /nfs/dbraw/zinc/40/82/39/555408239.db2.gz GRBUMOPYVQVOBD-NOZRDPDXSA-N 1 2 494.640 4.551 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495523 555408241 /nfs/dbraw/zinc/40/82/41/555408241.db2.gz GRBUMOPYVQVOBD-NOZRDPDXSA-N 1 2 494.640 4.551 40 0 JJABLO COc1cc(C[N@H+](Cc2ccccc2)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc(OC)c1OC ZINC000013496046 555410880 /nfs/dbraw/zinc/41/08/80/555410880.db2.gz QNTTWSQZKFGSJF-QHCPKHFHSA-N 1 2 467.614 4.853 40 0 JJABLO COc1cc(C[N@@H+](Cc2ccccc2)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc(OC)c1OC ZINC000013496046 555410882 /nfs/dbraw/zinc/41/08/82/555410882.db2.gz QNTTWSQZKFGSJF-QHCPKHFHSA-N 1 2 467.614 4.853 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498509 555421229 /nfs/dbraw/zinc/42/12/29/555421229.db2.gz YUZFHXSGPSDFFF-DEOSSOPVSA-N 1 2 460.582 4.931 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498509 555421231 /nfs/dbraw/zinc/42/12/31/555421231.db2.gz YUZFHXSGPSDFFF-DEOSSOPVSA-N 1 2 460.582 4.931 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498702 555423806 /nfs/dbraw/zinc/42/38/06/555423806.db2.gz HGMMRJNUPWPQRZ-DEOSSOPVSA-N 1 2 492.599 4.817 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498702 555423808 /nfs/dbraw/zinc/42/38/08/555423808.db2.gz HGMMRJNUPWPQRZ-DEOSSOPVSA-N 1 2 492.599 4.817 40 0 JJABLO Cc1cc2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498839 555425113 /nfs/dbraw/zinc/42/51/13/555425113.db2.gz SUCJFJUXHGGEQM-DEOSSOPVSA-N 1 2 473.625 4.681 40 0 JJABLO Cc1cc2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498839 555425115 /nfs/dbraw/zinc/42/51/15/555425115.db2.gz SUCJFJUXHGGEQM-DEOSSOPVSA-N 1 2 473.625 4.681 40 0 JJABLO Cc1cc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498873 555425553 /nfs/dbraw/zinc/42/55/53/555425553.db2.gz MWQIVRNBSVSSJW-ZCYQVOJMSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498873 555425555 /nfs/dbraw/zinc/42/55/55/555425555.db2.gz MWQIVRNBSVSSJW-ZCYQVOJMSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499169 555428926 /nfs/dbraw/zinc/42/89/26/555428926.db2.gz KJGVYRZQNLJRTO-QHCPKHFHSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499169 555428930 /nfs/dbraw/zinc/42/89/30/555428930.db2.gz KJGVYRZQNLJRTO-QHCPKHFHSA-N 1 2 462.598 4.879 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500897 555445204 /nfs/dbraw/zinc/44/52/04/555445204.db2.gz PYCJKKTXNQRBOS-ZCYQVOJMSA-N 1 2 494.640 4.551 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500897 555445207 /nfs/dbraw/zinc/44/52/07/555445207.db2.gz PYCJKKTXNQRBOS-ZCYQVOJMSA-N 1 2 494.640 4.551 40 0 JJABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2Cl)c1 ZINC000019933826 555550967 /nfs/dbraw/zinc/55/09/67/555550967.db2.gz FCHMUGRGIQKBEG-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2C)c1C ZINC000020048808 555618467 /nfs/dbraw/zinc/61/84/67/555618467.db2.gz NRTXQGWGUAJPNF-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017231 555858386 /nfs/dbraw/zinc/85/83/86/555858386.db2.gz KXIYTCKJVXACKI-XNMGPUDCSA-N 1 2 459.977 4.928 40 0 JJABLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000012136609 555913788 /nfs/dbraw/zinc/91/37/88/555913788.db2.gz ZHGLTXZFIKPQKB-JZJXAQOMSA-N 1 2 473.662 4.814 40 0 JJABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccc(F)cc3Cl)no2)c2ccccc12 ZINC000015675079 555933368 /nfs/dbraw/zinc/93/33/68/555933368.db2.gz WHWJGTNVCAEPCU-GCJKJVERSA-N 1 2 467.928 4.923 40 0 biogenic,in-vitro JJABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccc(F)cc3Cl)no2)c2ccccc12 ZINC000015675079 555933369 /nfs/dbraw/zinc/93/33/69/555933369.db2.gz WHWJGTNVCAEPCU-GCJKJVERSA-N 1 2 467.928 4.923 40 0 biogenic,in-vitro JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccccc4)cc3n2)cc1 ZINC000022708513 555945172 /nfs/dbraw/zinc/94/51/72/555945172.db2.gz GBTGVXBMMNAJSG-UHFFFAOYSA-N 1 2 472.618 4.631 40 0 JJABLO Cc1ccccc1CC[N@H+](Cc1nnnn1Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019237129 556337655 /nfs/dbraw/zinc/33/76/55/556337655.db2.gz XANYSCRNBLXGRZ-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1ccccc1CC[N@@H+](Cc1nnnn1Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019237129 556337657 /nfs/dbraw/zinc/33/76/57/556337657.db2.gz XANYSCRNBLXGRZ-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029569290 556353495 /nfs/dbraw/zinc/35/34/95/556353495.db2.gz KCMBQQCBTCJALL-UHFFFAOYSA-N 1 2 485.515 4.834 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2Cl)cc1C ZINC000030752685 556371892 /nfs/dbraw/zinc/37/18/92/556371892.db2.gz ZMNKRGXSJNNOQP-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881712 556386597 /nfs/dbraw/zinc/38/65/97/556386597.db2.gz KJCFUMVHNGLVMA-GSDHBNRESA-N 1 2 480.697 4.671 40 0 biogenic,in-vitro JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937218 569638600 /nfs/dbraw/zinc/63/86/00/569638600.db2.gz BCAWPQLXFXWMIY-AZGAKELHSA-N 1 2 492.668 4.961 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937218 569638601 /nfs/dbraw/zinc/63/86/01/569638601.db2.gz BCAWPQLXFXWMIY-AZGAKELHSA-N 1 2 492.668 4.961 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937367 569639027 /nfs/dbraw/zinc/63/90/27/569639027.db2.gz CLJVDSHSPCHWIN-ZJSXRUAMSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937367 569639029 /nfs/dbraw/zinc/63/90/29/569639029.db2.gz CLJVDSHSPCHWIN-ZJSXRUAMSA-N 1 2 492.649 4.607 40 0 JJABLO C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccs1)[N@H+]1C=Cc3ccccc3[C@@H]21 ZINC000102239058 569811211 /nfs/dbraw/zinc/81/12/11/569811211.db2.gz CBLUXPRLQMCWKL-VXOXUXMCSA-N 1 2 454.551 4.703 40 0 JJABLO C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccs1)[N@@H+]1C=Cc3ccccc3[C@@H]21 ZINC000102239058 569811213 /nfs/dbraw/zinc/81/12/13/569811213.db2.gz CBLUXPRLQMCWKL-VXOXUXMCSA-N 1 2 454.551 4.703 40 0 JJABLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000195529389 569873495 /nfs/dbraw/zinc/87/34/95/569873495.db2.gz ZHGLTXZFIKPQKB-MOXWOTFGSA-N 1 2 473.662 4.814 40 0 JJABLO Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1 ZINC000223179213 569902257 /nfs/dbraw/zinc/90/22/57/569902257.db2.gz CFBMKWUQHNBJMP-RPBOFIJWSA-N 1 2 494.686 4.829 40 0 JJABLO Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)ccc1Cl ZINC000223198036 569903106 /nfs/dbraw/zinc/90/31/06/569903106.db2.gz BUNJOKUPJAZLMF-LOSJGSFVSA-N 1 2 496.080 4.529 40 0 JJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223198908 569903153 /nfs/dbraw/zinc/90/31/53/569903153.db2.gz XGPDCRZOGOGDOJ-BJKOFHAPSA-N 1 2 480.659 4.521 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223546005 569915446 /nfs/dbraw/zinc/91/54/46/569915446.db2.gz FKJSQHNJHFTJSG-RPBOFIJWSA-N 1 2 454.603 4.506 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223545950 569915449 /nfs/dbraw/zinc/91/54/49/569915449.db2.gz FKJSQHNJHFTJSG-JWQCQUIFSA-N 1 2 454.603 4.506 40 0 JJABLO CCCCc1ccc(NC(=S)N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000225223616 569983660 /nfs/dbraw/zinc/98/36/60/569983660.db2.gz WKESGRHBBDPHMB-UHFFFAOYSA-N 1 2 457.640 4.570 40 0 JJABLO CCOc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)cc1C ZINC000231430186 570046718 /nfs/dbraw/zinc/04/67/18/570046718.db2.gz DBDMPPOBSHJYSY-UHFFFAOYSA-N 1 2 464.631 4.798 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500431 570101697 /nfs/dbraw/zinc/10/16/97/570101697.db2.gz NSJHHWSMYYDMSI-FYYLOGMGSA-N 1 2 466.630 4.759 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500431 570101698 /nfs/dbraw/zinc/10/16/98/570101698.db2.gz NSJHHWSMYYDMSI-FYYLOGMGSA-N 1 2 466.630 4.759 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500526 570102275 /nfs/dbraw/zinc/10/22/75/570102275.db2.gz UQILWCNJKAYUAU-NOZRDPDXSA-N 1 2 490.583 4.555 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500526 570102276 /nfs/dbraw/zinc/10/22/76/570102276.db2.gz UQILWCNJKAYUAU-NOZRDPDXSA-N 1 2 490.583 4.555 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCC4(C[C@@H](Oc5ccccc5)CO4)CC3)c2)nc(C)[nH+]1 ZINC000257202081 570108483 /nfs/dbraw/zinc/10/84/83/570108483.db2.gz AKIWPQVHTUQVDF-XMMPIXPASA-N 1 2 458.562 4.680 40 0 JJABLO Cc1[nH]c2ccc(CCC(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccccc4F)CC3)cc2[nH+]1 ZINC000257203925 570108924 /nfs/dbraw/zinc/10/89/24/570108924.db2.gz ASFLNNNFCIPTDH-MHZLTWQESA-N 1 2 490.623 4.805 40 0 JJABLO Cc1[nH]c2cc(CCC(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccccc4F)CC3)ccc2[nH+]1 ZINC000257203925 570108926 /nfs/dbraw/zinc/10/89/26/570108926.db2.gz ASFLNNNFCIPTDH-MHZLTWQESA-N 1 2 490.623 4.805 40 0 JJABLO Cc1ccc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)s1 ZINC000257209074 570110703 /nfs/dbraw/zinc/11/07/03/570110703.db2.gz BOVXCKOFPNDLEG-DEOSSOPVSA-N 1 2 463.043 4.763 40 0 JJABLO Cc1ccc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)s1 ZINC000257209074 570110704 /nfs/dbraw/zinc/11/07/04/570110704.db2.gz BOVXCKOFPNDLEG-DEOSSOPVSA-N 1 2 463.043 4.763 40 0 JJABLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(Cl)c4)C3)n2)cc1 ZINC000257211243 570111395 /nfs/dbraw/zinc/11/13/95/570111395.db2.gz BYBWAWFSLYDGES-URXFXBBRSA-N 1 2 472.010 4.615 40 0 JJABLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(Cl)c4)C3)n2)cc1 ZINC000257211243 570111397 /nfs/dbraw/zinc/11/13/97/570111397.db2.gz BYBWAWFSLYDGES-URXFXBBRSA-N 1 2 472.010 4.615 40 0 JJABLO COc1ccccc1Cc1cc(C(=O)N2CCC[C@@](C)(c3[nH+]c(C)n4ccsc34)C2)ccn1 ZINC000257219090 570113945 /nfs/dbraw/zinc/11/39/45/570113945.db2.gz DFNNLTJIFBPHGW-AREMUKBSSA-N 1 2 460.603 4.893 40 0 JJABLO COc1ccccc1Cc1cc(C(=O)N2CCC[C@](C)(c3[nH+]c(C)n4ccsc34)C2)ccn1 ZINC000257219091 570113949 /nfs/dbraw/zinc/11/39/49/570113949.db2.gz DFNNLTJIFBPHGW-SANMLTNESA-N 1 2 460.603 4.893 40 0 JJABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257241376 570120470 /nfs/dbraw/zinc/12/04/70/570120470.db2.gz HXVOIINEKUOWJO-FQEVSTJZSA-N 1 2 457.509 4.673 40 0 JJABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257241153 570120523 /nfs/dbraw/zinc/12/05/23/570120523.db2.gz HWUSZJIBAXCQRZ-AHWVRZQESA-N 1 2 466.965 4.975 40 0 JJABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257241153 570120524 /nfs/dbraw/zinc/12/05/24/570120524.db2.gz HWUSZJIBAXCQRZ-AHWVRZQESA-N 1 2 466.965 4.975 40 0 JJABLO COc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000257250942 570123398 /nfs/dbraw/zinc/12/33/98/570123398.db2.gz JOQUHEFQARILJB-XMMPIXPASA-N 1 2 469.545 4.808 40 0 JJABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1Oc1ccccc1 ZINC000257258531 570125824 /nfs/dbraw/zinc/12/58/24/570125824.db2.gz KUKMOUFBYYSGEI-DHLKQENFSA-N 1 2 462.537 4.691 40 0 JJABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1Oc1ccccc1 ZINC000257258531 570125825 /nfs/dbraw/zinc/12/58/25/570125825.db2.gz KUKMOUFBYYSGEI-DHLKQENFSA-N 1 2 462.537 4.691 40 0 JJABLO Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000257263509 570127488 /nfs/dbraw/zinc/12/74/88/570127488.db2.gz LQFNDTPAWDDBHO-QFIPXVFZSA-N 1 2 453.546 4.842 40 0 JJABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257263979 570127564 /nfs/dbraw/zinc/12/75/64/570127564.db2.gz LSJAGJAHESRPCR-DEOSSOPVSA-N 1 2 462.981 4.607 40 0 JJABLO COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C3)n2)c1 ZINC000257305215 570139857 /nfs/dbraw/zinc/13/98/57/570139857.db2.gz SOXUQBQDHCZRDW-JOCHJYFZSA-N 1 2 469.545 4.542 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5ccncc54)C3)c2)nc(C)[nH+]1 ZINC000257305713 570140079 /nfs/dbraw/zinc/14/00/79/570140079.db2.gz SRDQSUNBZVJVQD-NRFANRHFSA-N 1 2 467.573 4.717 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccccc2F)C1 ZINC000257319585 570144404 /nfs/dbraw/zinc/14/44/04/570144404.db2.gz VTDKZDAKZWZWKZ-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2ccccc2F)C1 ZINC000257319585 570144405 /nfs/dbraw/zinc/14/44/05/570144405.db2.gz VTDKZDAKZWZWKZ-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO COc1ccc(C(=O)N2CCC[C@H](Cc3cccn4cc[nH+]c34)CC2)cc1OCc1ccccn1 ZINC000257324721 570145818 /nfs/dbraw/zinc/14/58/18/570145818.db2.gz WPVPDWUUYLFLOL-NRFANRHFSA-N 1 2 470.573 4.802 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)nc1-c1ccccc1 ZINC000257326908 570146516 /nfs/dbraw/zinc/14/65/16/570146516.db2.gz WZBSEXCBZNQHBK-YIXXDRMTSA-N 1 2 477.630 4.897 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)nc1-c1ccccc1 ZINC000257326908 570146517 /nfs/dbraw/zinc/14/65/17/570146517.db2.gz WZBSEXCBZNQHBK-YIXXDRMTSA-N 1 2 477.630 4.897 40 0 JJABLO Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000257337242 570149569 /nfs/dbraw/zinc/14/95/69/570149569.db2.gz YRZPVOZAVGGJDF-UHFFFAOYSA-N 1 2 453.546 4.842 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409183929 570160294 /nfs/dbraw/zinc/16/02/94/570160294.db2.gz VHNHXSLOLQEDQQ-DEOSSOPVSA-N 1 2 462.550 4.541 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409183929 570160296 /nfs/dbraw/zinc/16/02/96/570160296.db2.gz VHNHXSLOLQEDQQ-DEOSSOPVSA-N 1 2 462.550 4.541 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1F ZINC000261362327 570167542 /nfs/dbraw/zinc/16/75/42/570167542.db2.gz CYERVCVWCZGDQW-HSZRJFAPSA-O 1 2 453.563 4.862 40 0 JJABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@H]1c1ccc(C)o1 ZINC000261363510 570168036 /nfs/dbraw/zinc/16/80/36/570168036.db2.gz HFUHWIDPAZATBE-QHCPKHFHSA-O 1 2 479.969 4.897 40 0 JJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000261363562 570168063 /nfs/dbraw/zinc/16/80/63/570168063.db2.gz HNIHZITWFMQIBE-HXUWFJFHSA-O 1 2 496.414 4.764 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000261363465 570168146 /nfs/dbraw/zinc/16/81/46/570168146.db2.gz SIVRORHFYDEXOB-XMMPIXPASA-O 1 2 457.535 4.564 40 0 JJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(OC)c2ccccc21 ZINC000261364132 570168432 /nfs/dbraw/zinc/16/84/32/570168432.db2.gz JLNHDTLGSIMDKE-VWLOTQADSA-O 1 2 473.578 4.714 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(F)cc1 ZINC000261364897 570168683 /nfs/dbraw/zinc/16/86/83/570168683.db2.gz OOFXXCGHCQNQCN-HSZRJFAPSA-O 1 2 453.563 4.862 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCC)c(OCC)c1 ZINC000261365203 570168844 /nfs/dbraw/zinc/16/88/44/570168844.db2.gz QSHWDVJTFGVQQK-VWLOTQADSA-O 1 2 495.625 4.740 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000261364946 570168976 /nfs/dbraw/zinc/16/89/76/570168976.db2.gz OVKSAUIGRPKBCW-VWLOTQADSA-O 1 2 487.609 4.723 40 0 JJABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328967580 570179863 /nfs/dbraw/zinc/17/98/63/570179863.db2.gz CVVZUQRSJBWSCN-NRFANRHFSA-N 1 2 460.500 5.392 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2Cl)c(C)c1 ZINC000408542898 570192014 /nfs/dbraw/zinc/19/20/14/570192014.db2.gz BCGHHTNHWMEGSX-UHFFFAOYSA-N 1 2 498.048 4.716 40 0 JJABLO CCC(=O)Nc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2Cl)cc1C ZINC000001346498 194098992 /nfs/dbraw/zinc/09/89/92/194098992.db2.gz BBBMVPLPMMVPTG-UHFFFAOYSA-N 1 2 480.981 4.857 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc12 ZINC000001372996 194106944 /nfs/dbraw/zinc/10/69/44/194106944.db2.gz CQRCFIAWIRYWNX-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc12 ZINC000001372996 194106947 /nfs/dbraw/zinc/10/69/47/194106947.db2.gz CQRCFIAWIRYWNX-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374297 194108824 /nfs/dbraw/zinc/10/88/24/194108824.db2.gz NPBOSFGBOWEMKD-RUZDIDTESA-N 1 2 468.561 4.618 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374297 194108827 /nfs/dbraw/zinc/10/88/27/194108827.db2.gz NPBOSFGBOWEMKD-RUZDIDTESA-N 1 2 468.561 4.618 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374314 194108841 /nfs/dbraw/zinc/10/88/41/194108841.db2.gz XUZIDBSDKPUFKZ-HSZRJFAPSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374314 194108844 /nfs/dbraw/zinc/10/88/44/194108844.db2.gz XUZIDBSDKPUFKZ-HSZRJFAPSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375509 194110275 /nfs/dbraw/zinc/11/02/75/194110275.db2.gz MKPWCGPAOGRNJI-QHCPKHFHSA-N 1 2 488.617 4.988 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375509 194110277 /nfs/dbraw/zinc/11/02/77/194110277.db2.gz MKPWCGPAOGRNJI-QHCPKHFHSA-N 1 2 488.617 4.988 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374710 194109110 /nfs/dbraw/zinc/10/91/10/194109110.db2.gz ORRUACAFTXQYNM-XMMPIXPASA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374710 194109112 /nfs/dbraw/zinc/10/91/12/194109112.db2.gz ORRUACAFTXQYNM-XMMPIXPASA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375143 194109618 /nfs/dbraw/zinc/10/96/18/194109618.db2.gz HXZYDNPBKDBGCP-SANMLTNESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375143 194109620 /nfs/dbraw/zinc/10/96/20/194109620.db2.gz HXZYDNPBKDBGCP-SANMLTNESA-N 1 2 482.588 4.926 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)cc1 ZINC000009886472 195015003 /nfs/dbraw/zinc/01/50/03/195015003.db2.gz FVTLOPTWULOEOJ-UHFFFAOYSA-N 1 2 489.576 4.853 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584872 195350907 /nfs/dbraw/zinc/35/09/07/195350907.db2.gz PCRYNCRICILRED-VWLOTQADSA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584872 195350909 /nfs/dbraw/zinc/35/09/09/195350909.db2.gz PCRYNCRICILRED-VWLOTQADSA-N 1 2 456.594 4.858 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642244 195356263 /nfs/dbraw/zinc/35/62/63/195356263.db2.gz FKJCIOXKIQCYKH-UPVQGACJSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642244 195356264 /nfs/dbraw/zinc/35/62/64/195356264.db2.gz FKJCIOXKIQCYKH-UPVQGACJSA-N 1 2 478.641 4.769 40 0 JJABLO CCC[N@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCCOC)[C@H]1CCc2ccccc21 ZINC000058162845 195369803 /nfs/dbraw/zinc/36/98/03/195369803.db2.gz FWCDXVPVNVDOBH-QFIPXVFZSA-N 1 2 477.634 4.574 40 0 JJABLO CCC[N@@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCCOC)[C@H]1CCc2ccccc21 ZINC000058162845 195369805 /nfs/dbraw/zinc/36/98/05/195369805.db2.gz FWCDXVPVNVDOBH-QFIPXVFZSA-N 1 2 477.634 4.574 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2C)cc1C ZINC000020456366 525295982 /nfs/dbraw/zinc/29/59/82/525295982.db2.gz YJELTMVXRCDVCW-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO O=C(COc1ccc(Cl)cc1)N(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000000882190 553818993 /nfs/dbraw/zinc/81/89/93/553818993.db2.gz LPUYBSBAGKOGIC-UHFFFAOYSA-N 1 2 472.010 4.598 40 0 JJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926495 553862767 /nfs/dbraw/zinc/86/27/67/553862767.db2.gz QYEHKBDAEHISGE-UHFFFAOYSA-N 1 2 458.610 4.521 40 0 JJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926495 553862769 /nfs/dbraw/zinc/86/27/69/553862769.db2.gz QYEHKBDAEHISGE-UHFFFAOYSA-N 1 2 458.610 4.521 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000926771 553863094 /nfs/dbraw/zinc/86/30/94/553863094.db2.gz PSAKHFVNIJXETN-UHFFFAOYSA-N 1 2 470.621 4.882 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000926771 553863095 /nfs/dbraw/zinc/86/30/95/553863095.db2.gz PSAKHFVNIJXETN-UHFFFAOYSA-N 1 2 470.621 4.882 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000928000 553865223 /nfs/dbraw/zinc/86/52/23/553865223.db2.gz RMROCASFFGKVHR-UHFFFAOYSA-N 1 2 486.620 4.663 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000928000 553865225 /nfs/dbraw/zinc/86/52/25/553865225.db2.gz RMROCASFFGKVHR-UHFFFAOYSA-N 1 2 486.620 4.663 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494456 555404568 /nfs/dbraw/zinc/40/45/68/555404568.db2.gz FPHKRPNTESQLMW-QHCPKHFHSA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494456 555404570 /nfs/dbraw/zinc/40/45/70/555404570.db2.gz FPHKRPNTESQLMW-QHCPKHFHSA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495766 555409130 /nfs/dbraw/zinc/40/91/30/555409130.db2.gz RTULHORYXGNWEL-HSZRJFAPSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495766 555409133 /nfs/dbraw/zinc/40/91/33/555409133.db2.gz RTULHORYXGNWEL-HSZRJFAPSA-N 1 2 474.590 4.679 40 0 JJABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498521 555421439 /nfs/dbraw/zinc/42/14/39/555421439.db2.gz KFVXNDSBXOYGSF-ZCYQVOJMSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498521 555421441 /nfs/dbraw/zinc/42/14/41/555421441.db2.gz KFVXNDSBXOYGSF-ZCYQVOJMSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499000 555427329 /nfs/dbraw/zinc/42/73/29/555427329.db2.gz LQWYOVGGGXHAEW-HSZRJFAPSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499000 555427330 /nfs/dbraw/zinc/42/73/30/555427330.db2.gz LQWYOVGGGXHAEW-HSZRJFAPSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499156 555428861 /nfs/dbraw/zinc/42/88/61/555428861.db2.gz OVYIFUVEUVIILD-AREMUKBSSA-N 1 2 497.603 4.567 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499156 555428863 /nfs/dbraw/zinc/42/88/63/555428863.db2.gz OVYIFUVEUVIILD-AREMUKBSSA-N 1 2 497.603 4.567 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499204 555429206 /nfs/dbraw/zinc/42/92/06/555429206.db2.gz YVQWPWUWFIOGOD-RUZDIDTESA-N 1 2 486.576 4.765 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499204 555429210 /nfs/dbraw/zinc/42/92/10/555429210.db2.gz YVQWPWUWFIOGOD-RUZDIDTESA-N 1 2 486.576 4.765 40 0 JJABLO CCC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499597 555433526 /nfs/dbraw/zinc/43/35/26/555433526.db2.gz MJLGWOYINJCZNW-AREMUKBSSA-N 1 2 488.636 4.630 40 0 JJABLO CCC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499597 555433528 /nfs/dbraw/zinc/43/35/28/555433528.db2.gz MJLGWOYINJCZNW-AREMUKBSSA-N 1 2 488.636 4.630 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500403 555439639 /nfs/dbraw/zinc/43/96/39/555439639.db2.gz LBMKNRJQXLLTQD-UPVQGACJSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500403 555439644 /nfs/dbraw/zinc/43/96/44/555439644.db2.gz LBMKNRJQXLLTQD-UPVQGACJSA-N 1 2 480.657 4.655 40 0 JJABLO Cc1cccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500383 555439778 /nfs/dbraw/zinc/43/97/78/555439778.db2.gz RWVCMBZJEHBZEB-ZCYQVOJMSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1cccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500383 555439780 /nfs/dbraw/zinc/43/97/80/555439780.db2.gz RWVCMBZJEHBZEB-ZCYQVOJMSA-N 1 2 478.641 4.707 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500793 555444048 /nfs/dbraw/zinc/44/40/48/555444048.db2.gz IULVWCWWUAZONI-DQEYMECFSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500793 555444051 /nfs/dbraw/zinc/44/40/51/555444051.db2.gz IULVWCWWUAZONI-DQEYMECFSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500889 555444929 /nfs/dbraw/zinc/44/49/29/555444929.db2.gz AVQLVFWNECUYQN-GOTSBHOMSA-N 1 2 480.657 4.799 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500889 555444930 /nfs/dbraw/zinc/44/49/30/555444930.db2.gz AVQLVFWNECUYQN-GOTSBHOMSA-N 1 2 480.657 4.799 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019941380 555560306 /nfs/dbraw/zinc/56/03/06/555560306.db2.gz WGHLTQOFHLNRMH-MHZLTWQESA-N 1 2 496.590 4.876 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019941380 555560309 /nfs/dbraw/zinc/56/03/09/555560309.db2.gz WGHLTQOFHLNRMH-MHZLTWQESA-N 1 2 496.590 4.876 40 0 JJABLO Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(C[NH+]4CCOCC4)cc3)o2)cc1Cl ZINC000014271334 555765806 /nfs/dbraw/zinc/76/58/06/555765806.db2.gz YZJZLIBMDSDBDE-UHFFFAOYSA-N 1 2 469.994 4.867 40 0 JJABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000015675708 555934162 /nfs/dbraw/zinc/93/41/62/555934162.db2.gz YORXAMNPUOMQMC-FQEVSTJZSA-N 1 2 471.439 4.667 40 0 biogenic,in-vitro JJABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 ZINC000015707322 555952900 /nfs/dbraw/zinc/95/29/00/555952900.db2.gz JUPZGPJCDSPENA-IBGZPJMESA-N 1 2 452.877 4.892 40 0 biogenic,in-vitro JJABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 ZINC000015707322 555952902 /nfs/dbraw/zinc/95/29/02/555952902.db2.gz JUPZGPJCDSPENA-IBGZPJMESA-N 1 2 452.877 4.892 40 0 biogenic,in-vitro JJABLO O=C(Nc1cccc(F)c1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707310 555952956 /nfs/dbraw/zinc/95/29/56/555952956.db2.gz XBESCHFTQNPZFW-SFHVURJKSA-N 1 2 456.840 4.723 40 0 biogenic,in-vitro JJABLO O=C(Nc1cccc(F)c1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707310 555952958 /nfs/dbraw/zinc/95/29/58/555952958.db2.gz XBESCHFTQNPZFW-SFHVURJKSA-N 1 2 456.840 4.723 40 0 biogenic,in-vitro JJABLO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000013084707 556282054 /nfs/dbraw/zinc/28/20/54/556282054.db2.gz MMNMOTZFQQRZQZ-LFVJCYFKSA-N 1 2 490.510 4.707 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526636 556351443 /nfs/dbraw/zinc/35/14/43/556351443.db2.gz QKIQRPOPILNLFC-RUZDIDTESA-N 1 2 456.594 4.940 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526636 556351452 /nfs/dbraw/zinc/35/14/52/556351452.db2.gz QKIQRPOPILNLFC-RUZDIDTESA-N 1 2 456.594 4.940 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033937262 569638622 /nfs/dbraw/zinc/63/86/22/569638622.db2.gz GKEVYWPSDXKVBA-AOYPEHQESA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033937262 569638623 /nfs/dbraw/zinc/63/86/23/569638623.db2.gz GKEVYWPSDXKVBA-AOYPEHQESA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033937261 569638647 /nfs/dbraw/zinc/63/86/47/569638647.db2.gz GKEVYWPSDXKVBA-RSXGOPAZSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033937261 569638648 /nfs/dbraw/zinc/63/86/48/569638648.db2.gz GKEVYWPSDXKVBA-RSXGOPAZSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937344 569638954 /nfs/dbraw/zinc/63/89/54/569638954.db2.gz XLVKLMSNOOBSDK-RSXGOPAZSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937344 569638956 /nfs/dbraw/zinc/63/89/56/569638956.db2.gz XLVKLMSNOOBSDK-RSXGOPAZSA-N 1 2 486.620 4.546 40 0 JJABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCCN3C(=O)c3ccccc3)c[nH+]2)CC1 ZINC000072216439 569700545 /nfs/dbraw/zinc/70/05/45/569700545.db2.gz JRBBEMQQQGARKE-JOCHJYFZSA-N 1 2 450.583 4.506 40 0 JJABLO O=c1[nH]c2c(cc1C[NH2+]c1ccc(N3CCOCC3)cc1)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000072336322 569703398 /nfs/dbraw/zinc/70/33/98/569703398.db2.gz CYLSEKYKKPERKU-UHFFFAOYSA-N 1 2 495.558 4.969 40 0 JJABLO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C)[N@H+]2C[C@H](O)COc2ccccc2)cc1OC ZINC000036367820 569773098 /nfs/dbraw/zinc/77/30/98/569773098.db2.gz DDIKBTWEGPODRH-YGXLPCTBSA-N 1 2 472.585 4.961 40 0 JJABLO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C)[N@@H+]2C[C@H](O)COc2ccccc2)cc1OC ZINC000036367820 569773099 /nfs/dbraw/zinc/77/30/99/569773099.db2.gz DDIKBTWEGPODRH-YGXLPCTBSA-N 1 2 472.585 4.961 40 0 JJABLO COc1cc2cc(CNc3ccc4[nH]c(-c5ccc6[nH]cnc6c5)[nH+]c4c3)c(=O)[nH]c2cc1OC ZINC000038269798 569801232 /nfs/dbraw/zinc/80/12/32/569801232.db2.gz IDUHUDZNHJJBKQ-UHFFFAOYSA-N 1 2 466.501 4.577 40 0 JJABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000038754907 569806790 /nfs/dbraw/zinc/80/67/90/569806790.db2.gz QXLMGRNSAMMSJH-NDEPHWFRSA-N 1 2 482.609 4.619 40 0 JJABLO O=C(N1CCC[C@H](Cc2cccn3cc[nH+]c23)CC1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000221972957 569883805 /nfs/dbraw/zinc/88/38/05/569883805.db2.gz CGFAFFYTRGMMNY-FQEVSTJZSA-N 1 2 451.998 4.907 40 0 JJABLO Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223161210 569901542 /nfs/dbraw/zinc/90/15/42/569901542.db2.gz CNMHZOGQBWWNCB-BJKOFHAPSA-N 1 2 483.037 4.608 40 0 JJABLO Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)cc1Cl ZINC000223161662 569901559 /nfs/dbraw/zinc/90/15/59/569901559.db2.gz SLPOIYXTLRVKBJ-RPWUZVMVSA-N 1 2 483.037 4.608 40 0 JJABLO Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1Cl ZINC000223204482 569903345 /nfs/dbraw/zinc/90/33/45/569903345.db2.gz PHPZOVLHXAOCGP-RPBOFIJWSA-N 1 2 497.064 4.998 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223506339 569913914 /nfs/dbraw/zinc/91/39/14/569913914.db2.gz WUCXAUWVEMUQFQ-JWQCQUIFSA-N 1 2 454.603 4.506 40 0 JJABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OCC ZINC000408682535 570012864 /nfs/dbraw/zinc/01/28/64/570012864.db2.gz YVCNSTODMLLTOL-UHFFFAOYSA-N 1 2 480.630 4.580 40 0 JJABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2c(Cl)cccc2Cl)c(OC)cc1Cl ZINC000408703357 570023248 /nfs/dbraw/zinc/02/32/48/570023248.db2.gz FKVYPUDDNFNCOG-LJQANCHMSA-N 1 2 494.766 4.836 40 0 JJABLO C[C@H]1Cc2cccc3c2n1cc(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c3=O ZINC000225862585 570025434 /nfs/dbraw/zinc/02/54/34/570025434.db2.gz OQARCOWCEDPLJE-NRFANRHFSA-N 1 2 463.581 4.666 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408961651 570086141 /nfs/dbraw/zinc/08/61/41/570086141.db2.gz UJKNYFZBUGEGFR-BKUYFWCQSA-N 1 2 455.345 4.943 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500338 570101479 /nfs/dbraw/zinc/10/14/79/570101479.db2.gz DHPCKYINRZNQPS-RPBOFIJWSA-N 1 2 486.620 4.724 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500338 570101480 /nfs/dbraw/zinc/10/14/80/570101480.db2.gz DHPCKYINRZNQPS-RPBOFIJWSA-N 1 2 486.620 4.724 40 0 JJABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500489 570101918 /nfs/dbraw/zinc/10/19/18/570101918.db2.gz QMLNAKPFLJAXLR-RSXGOPAZSA-N 1 2 486.620 4.806 40 0 JJABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500489 570101920 /nfs/dbraw/zinc/10/19/20/570101920.db2.gz QMLNAKPFLJAXLR-RSXGOPAZSA-N 1 2 486.620 4.806 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500505 570102057 /nfs/dbraw/zinc/10/20/57/570102057.db2.gz SAFDYMZCBYAMLE-RSXGOPAZSA-N 1 2 486.620 4.814 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500505 570102058 /nfs/dbraw/zinc/10/20/58/570102058.db2.gz SAFDYMZCBYAMLE-RSXGOPAZSA-N 1 2 486.620 4.814 40 0 JJABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253616921 570104958 /nfs/dbraw/zinc/10/49/58/570104958.db2.gz VLNIUXFDVDFMOR-QPPBQGQZSA-N 1 2 492.649 4.875 40 0 JJABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253616921 570104960 /nfs/dbraw/zinc/10/49/60/570104960.db2.gz VLNIUXFDVDFMOR-QPPBQGQZSA-N 1 2 492.649 4.875 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000257201735 570108343 /nfs/dbraw/zinc/10/83/43/570108343.db2.gz AIVXFXREYAVVGV-HHHXNRCGSA-N 1 2 459.565 4.621 40 0 JJABLO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCCCn3cc[nH+]c3)CCOCC2)c1 ZINC000257217424 570113359 /nfs/dbraw/zinc/11/33/59/570113359.db2.gz CYWFBZUDFZDECT-UHFFFAOYSA-N 1 2 465.569 4.634 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4ccc5ccoc5c4)C3)c2)nc(C)[nH+]1 ZINC000257218238 570113614 /nfs/dbraw/zinc/11/36/14/570113614.db2.gz DCJCEGXQHKTSFH-NRFANRHFSA-N 1 2 456.546 4.915 40 0 JJABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257220327 570114165 /nfs/dbraw/zinc/11/41/65/570114165.db2.gz DKJYOABJJNVYGK-FQEVSTJZSA-N 1 2 457.509 4.673 40 0 JJABLO Cc1ccc(Oc2cccc([C@@H]3CN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)CCO3)n2)cc1 ZINC000257223578 570115134 /nfs/dbraw/zinc/11/51/34/570115134.db2.gz DXZHEJBOYICTPL-VWLOTQADSA-N 1 2 454.530 4.641 40 0 JJABLO CC(=O)N1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257245279 570121610 /nfs/dbraw/zinc/12/16/10/570121610.db2.gz IOUOXFDCGMPXEL-MUUNZHRXSA-N 1 2 459.590 4.853 40 0 JJABLO CC(=O)N1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257245279 570121611 /nfs/dbraw/zinc/12/16/11/570121611.db2.gz IOUOXFDCGMPXEL-MUUNZHRXSA-N 1 2 459.590 4.853 40 0 JJABLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(Cl)c4)C3)c2)cs1 ZINC000257257749 570125529 /nfs/dbraw/zinc/12/55/29/570125529.db2.gz KQXINUGUHCGBPE-UPVQGACJSA-N 1 2 472.010 4.615 40 0 JJABLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(Cl)c4)C3)c2)cs1 ZINC000257257749 570125530 /nfs/dbraw/zinc/12/55/30/570125530.db2.gz KQXINUGUHCGBPE-UPVQGACJSA-N 1 2 472.010 4.615 40 0 JJABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257266764 570128491 /nfs/dbraw/zinc/12/84/91/570128491.db2.gz MEKMCDRUWIXQRH-VWLOTQADSA-N 1 2 457.965 4.943 40 0 JJABLO Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)n1 ZINC000257270959 570129865 /nfs/dbraw/zinc/12/98/65/570129865.db2.gz MWHOSLNIMZMTQX-QFIPXVFZSA-N 1 2 453.546 4.842 40 0 JJABLO Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000257304222 570139631 /nfs/dbraw/zinc/13/96/31/570139631.db2.gz SKORGNLHTDPLBH-UHFFFAOYSA-N 1 2 453.546 4.842 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000257309221 570141189 /nfs/dbraw/zinc/14/11/89/570141189.db2.gz UAAAJADWUGQYHR-NRFANRHFSA-N 1 2 457.509 4.673 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)CCCC3)C[C@@H]1Oc1ccc(F)cc1 ZINC000257309646 570141327 /nfs/dbraw/zinc/14/13/27/570141327.db2.gz UBUNTWAJFCRVAS-AHKZPQOWSA-N 1 2 454.586 4.574 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCCC3)C[C@@H]1Oc1ccc(F)cc1 ZINC000257309646 570141328 /nfs/dbraw/zinc/14/13/28/570141328.db2.gz UBUNTWAJFCRVAS-AHKZPQOWSA-N 1 2 454.586 4.574 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1Oc1ccccc1 ZINC000257317606 570143771 /nfs/dbraw/zinc/14/37/71/570143771.db2.gz VKMAYMOVCGWTCR-RPLLCQBOSA-N 1 2 497.636 4.742 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1Oc1ccccc1 ZINC000257317606 570143772 /nfs/dbraw/zinc/14/37/72/570143772.db2.gz VKMAYMOVCGWTCR-RPLLCQBOSA-N 1 2 497.636 4.742 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000257322652 570145296 /nfs/dbraw/zinc/14/52/96/570145296.db2.gz WGWGCTFKKQAOGS-QFIPXVFZSA-N 1 2 459.565 4.740 40 0 JJABLO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccccc1F ZINC000257338492 570150011 /nfs/dbraw/zinc/15/00/11/570150011.db2.gz YXRARIRTUGKKPW-FQEVSTJZSA-N 1 2 455.961 4.896 40 0 JJABLO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccccc1F ZINC000257338492 570150013 /nfs/dbraw/zinc/15/00/13/570150013.db2.gz YXRARIRTUGKKPW-FQEVSTJZSA-N 1 2 455.961 4.896 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N2NC=NC2=[NH+]1 ZINC000409182024 570159585 /nfs/dbraw/zinc/15/95/85/570159585.db2.gz HWMAKNOQWWVXLY-QHCPKHFHSA-N 1 2 482.968 4.804 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N2NC=[NH+]C2=N1 ZINC000409182024 570159586 /nfs/dbraw/zinc/15/95/86/570159586.db2.gz HWMAKNOQWWVXLY-QHCPKHFHSA-N 1 2 482.968 4.804 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N2NC=NC2=[NH+]1 ZINC000409182153 570159736 /nfs/dbraw/zinc/15/97/36/570159736.db2.gz ILRZBALXWVTTQE-JOCHJYFZSA-N 1 2 497.393 4.905 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N2NC=[NH+]C2=N1 ZINC000409182153 570159738 /nfs/dbraw/zinc/15/97/38/570159738.db2.gz ILRZBALXWVTTQE-JOCHJYFZSA-N 1 2 497.393 4.905 40 0 JJABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1O ZINC000261361845 570167323 /nfs/dbraw/zinc/16/73/23/570167323.db2.gz BFRFQCDSGWVMDT-JOCHJYFZSA-O 1 2 479.969 4.769 40 0 JJABLO O=c1[nH]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@H]2c1ccc(O)c(Cl)c1 ZINC000261361800 570167419 /nfs/dbraw/zinc/16/74/19/570167419.db2.gz AZIMILMWHFBHLC-OAQYLSRUSA-O 1 2 467.933 4.900 40 0 JJABLO O=c1[nH]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc(O)c(Cl)c1 ZINC000261361799 570167422 /nfs/dbraw/zinc/16/74/22/570167422.db2.gz AZIMILMWHFBHLC-NRFANRHFSA-O 1 2 467.933 4.900 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1c(F)cccc1Cl ZINC000261363569 570168070 /nfs/dbraw/zinc/16/80/70/570168070.db2.gz HOPXQTSEWDIXBW-JOCHJYFZSA-O 1 2 479.944 4.858 40 0 JJABLO CC[C@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329058971 570183348 /nfs/dbraw/zinc/18/33/48/570183348.db2.gz WEDZJGIEIHGRFM-ZDUSSCGKSA-N 1 2 452.427 4.987 40 0 JJABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2Cl)c1 ZINC000408545362 570192792 /nfs/dbraw/zinc/19/27/92/570192792.db2.gz KWXABCUBSGRXCU-UHFFFAOYSA-N 1 2 498.048 4.716 40 0 JJABLO O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408574873 570205546 /nfs/dbraw/zinc/20/55/46/570205546.db2.gz FGAAOPDVMBHUQD-HFCFXMSPSA-N 1 2 497.664 4.932 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375494 194110200 /nfs/dbraw/zinc/11/02/00/194110200.db2.gz NTSUBKQPODTXIK-VWLOTQADSA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375494 194110201 /nfs/dbraw/zinc/11/02/01/194110201.db2.gz NTSUBKQPODTXIK-VWLOTQADSA-N 1 2 482.588 4.926 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000001373303 194107233 /nfs/dbraw/zinc/10/72/33/194107233.db2.gz QQHFJEXHEPKWBD-UHFFFAOYSA-N 1 2 492.627 4.565 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000001373303 194107236 /nfs/dbraw/zinc/10/72/36/194107236.db2.gz QQHFJEXHEPKWBD-UHFFFAOYSA-N 1 2 492.627 4.565 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374079 194108133 /nfs/dbraw/zinc/10/81/33/194108133.db2.gz VCCKEYJGWVQUON-DEOSSOPVSA-N 1 2 488.617 4.933 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374079 194108136 /nfs/dbraw/zinc/10/81/36/194108136.db2.gz VCCKEYJGWVQUON-DEOSSOPVSA-N 1 2 488.617 4.933 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589641 195351522 /nfs/dbraw/zinc/35/15/22/195351522.db2.gz DQDKRMRCEKOYNW-MHZLTWQESA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589641 195351523 /nfs/dbraw/zinc/35/15/23/195351523.db2.gz DQDKRMRCEKOYNW-MHZLTWQESA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589745 195351890 /nfs/dbraw/zinc/35/18/90/195351890.db2.gz ZFVZXYCLFHXMPB-DEOSSOPVSA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589745 195351893 /nfs/dbraw/zinc/35/18/93/195351893.db2.gz ZFVZXYCLFHXMPB-DEOSSOPVSA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594612 195352157 /nfs/dbraw/zinc/35/21/57/195352157.db2.gz MRFUIANFZWEPGM-RUZDIDTESA-N 1 2 472.593 4.640 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594612 195352159 /nfs/dbraw/zinc/35/21/59/195352159.db2.gz MRFUIANFZWEPGM-RUZDIDTESA-N 1 2 472.593 4.640 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641101 195354963 /nfs/dbraw/zinc/35/49/63/195354963.db2.gz ULADWPSIRNKQFX-VWLOTQADSA-N 1 2 472.593 4.792 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641101 195354966 /nfs/dbraw/zinc/35/49/66/195354966.db2.gz ULADWPSIRNKQFX-VWLOTQADSA-N 1 2 472.593 4.792 40 0 JJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641790 195355916 /nfs/dbraw/zinc/35/59/16/195355916.db2.gz VWUXWAUERQMNDW-RDPSFJRHSA-N 1 2 492.649 4.525 40 0 JJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641790 195355918 /nfs/dbraw/zinc/35/59/18/195355918.db2.gz VWUXWAUERQMNDW-RDPSFJRHSA-N 1 2 492.649 4.525 40 0 JJABLO COc1cc2cc(CNc3ccc(CCc4[nH]c5ccccc5[nH+]4)cc3)c(=O)[nH]c2cc1OC ZINC000057709796 195357685 /nfs/dbraw/zinc/35/76/85/195357685.db2.gz VYYVAPZVAFCTEK-UHFFFAOYSA-N 1 2 454.530 4.819 40 0 JJABLO COc1ccc(OC)c(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3cccc(C)c3)n2)c1 ZINC000000881203 553817784 /nfs/dbraw/zinc/81/77/84/553817784.db2.gz BGGINWCJEVHQAU-UHFFFAOYSA-N 1 2 481.618 4.505 40 0 JJABLO Cc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1C ZINC000000926549 553862739 /nfs/dbraw/zinc/86/27/39/553862739.db2.gz BMUZCBZXSNCOLE-UHFFFAOYSA-N 1 2 470.621 4.882 40 0 JJABLO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1C ZINC000000926549 553862740 /nfs/dbraw/zinc/86/27/40/553862740.db2.gz BMUZCBZXSNCOLE-UHFFFAOYSA-N 1 2 470.621 4.882 40 0 JJABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccccc1)CCCC2 ZINC000006599676 554554562 /nfs/dbraw/zinc/55/45/62/554554562.db2.gz AMJFIZZJNOFERV-UHFFFAOYSA-N 1 2 493.614 4.663 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013494737 555405844 /nfs/dbraw/zinc/40/58/44/555405844.db2.gz IINGMSIYMIJREP-SANMLTNESA-N 1 2 498.587 4.708 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013494737 555405847 /nfs/dbraw/zinc/40/58/47/555405847.db2.gz IINGMSIYMIJREP-SANMLTNESA-N 1 2 498.587 4.708 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495496 555408046 /nfs/dbraw/zinc/40/80/46/555408046.db2.gz XXQLJADZXNWFNE-ZEQRLZLVSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495496 555408050 /nfs/dbraw/zinc/40/80/50/555408050.db2.gz XXQLJADZXNWFNE-ZEQRLZLVSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495743 555409178 /nfs/dbraw/zinc/40/91/78/555409178.db2.gz UVPLWQRVTFICAF-QFIPXVFZSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495743 555409180 /nfs/dbraw/zinc/40/91/80/555409180.db2.gz UVPLWQRVTFICAF-QFIPXVFZSA-N 1 2 474.590 4.679 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498605 555422435 /nfs/dbraw/zinc/42/24/35/555422435.db2.gz GUDXSFBCOIQODU-QFIPXVFZSA-N 1 2 480.638 4.739 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498605 555422439 /nfs/dbraw/zinc/42/24/39/555422439.db2.gz GUDXSFBCOIQODU-QFIPXVFZSA-N 1 2 480.638 4.739 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccc(C)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498749 555424239 /nfs/dbraw/zinc/42/42/39/555424239.db2.gz OCOKMLGGANJRDH-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccc(C)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498749 555424244 /nfs/dbraw/zinc/42/42/44/555424244.db2.gz OCOKMLGGANJRDH-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499092 555428057 /nfs/dbraw/zinc/42/80/57/555428057.db2.gz ITACMDRJWSVYOJ-RUZDIDTESA-N 1 2 486.576 4.765 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499092 555428060 /nfs/dbraw/zinc/42/80/60/555428060.db2.gz ITACMDRJWSVYOJ-RUZDIDTESA-N 1 2 486.576 4.765 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499299 555430032 /nfs/dbraw/zinc/43/00/32/555430032.db2.gz GKEVYWPSDXKVBA-AZGAKELHSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499299 555430035 /nfs/dbraw/zinc/43/00/35/555430035.db2.gz GKEVYWPSDXKVBA-AZGAKELHSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499343 555430783 /nfs/dbraw/zinc/43/07/83/555430783.db2.gz POFBKHZCCPNKQS-XMMPIXPASA-N 1 2 492.599 4.961 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499343 555430787 /nfs/dbraw/zinc/43/07/87/555430787.db2.gz POFBKHZCCPNKQS-XMMPIXPASA-N 1 2 492.599 4.961 40 0 JJABLO COc1ccccc1C[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013500236 555438198 /nfs/dbraw/zinc/43/81/98/555438198.db2.gz NFDJVXAAGACTEZ-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccccc1C[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013500236 555438199 /nfs/dbraw/zinc/43/81/99/555438199.db2.gz NFDJVXAAGACTEZ-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccccc1C[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013500238 555438209 /nfs/dbraw/zinc/43/82/09/555438209.db2.gz ILEYEDIRNNEZAT-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccccc1C[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013500238 555438210 /nfs/dbraw/zinc/43/82/10/555438210.db2.gz ILEYEDIRNNEZAT-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500494 555441113 /nfs/dbraw/zinc/44/11/13/555441113.db2.gz BUWMOAGMEMUAKB-XMMPIXPASA-N 1 2 488.617 4.925 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500494 555441116 /nfs/dbraw/zinc/44/11/16/555441116.db2.gz BUWMOAGMEMUAKB-XMMPIXPASA-N 1 2 488.617 4.925 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500871 555444816 /nfs/dbraw/zinc/44/48/16/555444816.db2.gz MWYLKDQALXQDIH-ZEQRLZLVSA-N 1 2 478.641 4.851 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500871 555444819 /nfs/dbraw/zinc/44/48/19/555444819.db2.gz MWYLKDQALXQDIH-ZEQRLZLVSA-N 1 2 478.641 4.851 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500896 555445193 /nfs/dbraw/zinc/44/51/93/555445193.db2.gz PYCJKKTXNQRBOS-UKILVPOCSA-N 1 2 494.640 4.551 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500896 555445196 /nfs/dbraw/zinc/44/51/96/555445196.db2.gz PYCJKKTXNQRBOS-UKILVPOCSA-N 1 2 494.640 4.551 40 0 JJABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c(Cl)c2)cc1 ZINC000020042947 555614732 /nfs/dbraw/zinc/61/47/32/555614732.db2.gz NHSNHRLWEYBQFQ-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020530713 555798210 /nfs/dbraw/zinc/79/82/10/555798210.db2.gz YJEJUZPVEVAWNQ-UHFFFAOYSA-N 1 2 469.404 4.525 40 0 JJABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000022523095 555931003 /nfs/dbraw/zinc/93/10/03/555931003.db2.gz LOPVQVLYKMRUSW-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO O=C(Nc1cccc(F)c1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675774 555934665 /nfs/dbraw/zinc/93/46/65/555934665.db2.gz IOKNCXCHGBJBQO-SFHVURJKSA-N 1 2 472.402 4.949 40 0 biogenic,in-vitro JJABLO O=C(Nc1cccc(F)c1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675774 555934667 /nfs/dbraw/zinc/93/46/67/555934667.db2.gz IOKNCXCHGBJBQO-SFHVURJKSA-N 1 2 472.402 4.949 40 0 biogenic,in-vitro JJABLO Cc1ccc(F)cc1NC(=O)CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022931288 555984539 /nfs/dbraw/zinc/98/45/39/555984539.db2.gz GYZGRAFXDIPMPN-UHFFFAOYSA-N 1 2 453.508 4.758 40 0 JJABLO CC/C(=C(/CC)c1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1 ZINC000017003841 556199406 /nfs/dbraw/zinc/19/94/06/556199406.db2.gz FISYQNMQPQGEIF-QVIHXGFCSA-N 1 2 494.676 4.839 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019499580 556349365 /nfs/dbraw/zinc/34/93/65/556349365.db2.gz HZNWRFQIIBEXRA-XMMPIXPASA-N 1 2 474.609 4.670 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019499580 556349367 /nfs/dbraw/zinc/34/93/67/556349367.db2.gz HZNWRFQIIBEXRA-XMMPIXPASA-N 1 2 474.609 4.670 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526618 556351027 /nfs/dbraw/zinc/35/10/27/556351027.db2.gz ZUJBGIYJWJFYJS-VWLOTQADSA-N 1 2 472.593 4.640 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526618 556351032 /nfs/dbraw/zinc/35/10/32/556351032.db2.gz ZUJBGIYJWJFYJS-VWLOTQADSA-N 1 2 472.593 4.640 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526635 556351653 /nfs/dbraw/zinc/35/16/53/556351653.db2.gz QKIQRPOPILNLFC-VWLOTQADSA-N 1 2 456.594 4.940 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526635 556351654 /nfs/dbraw/zinc/35/16/54/556351654.db2.gz QKIQRPOPILNLFC-VWLOTQADSA-N 1 2 456.594 4.940 40 0 JJABLO CC/C(=C(\CC)c1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1 ZINC000031938078 556411716 /nfs/dbraw/zinc/41/17/16/556411716.db2.gz FISYQNMQPQGEIF-FLWNBWAVSA-N 1 2 494.676 4.839 40 0 JJABLO O=S1(=O)C[C@H]2[NH+]=C(SCc3ccc(Cl)cc3Cl)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508671 556443567 /nfs/dbraw/zinc/44/35/67/556443567.db2.gz DVXIMOKPTQQOOK-QZTJIDSGSA-N 1 2 475.850 4.917 40 0 JJABLO O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289673 560032098 /nfs/dbraw/zinc/03/20/98/560032098.db2.gz YBPDEZXATSQKBO-HOCLYGCPSA-N 1 2 465.447 4.756 40 0 biogenic,in-vitro JJABLO O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289673 560032099 /nfs/dbraw/zinc/03/20/99/560032099.db2.gz YBPDEZXATSQKBO-HOCLYGCPSA-N 1 2 465.447 4.756 40 0 biogenic,in-vitro JJABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289417 560032519 /nfs/dbraw/zinc/03/25/19/560032519.db2.gz SMFVPULHZKWYMF-IRXDYDNUSA-N 1 2 461.484 4.746 40 0 biogenic,in-vitro JJABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289417 560032520 /nfs/dbraw/zinc/03/25/20/560032520.db2.gz SMFVPULHZKWYMF-IRXDYDNUSA-N 1 2 461.484 4.746 40 0 biogenic,in-vitro JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000033937141 569638484 /nfs/dbraw/zinc/63/84/84/569638484.db2.gz GRBUMOPYVQVOBD-UKILVPOCSA-N 1 2 494.640 4.551 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000033937141 569638485 /nfs/dbraw/zinc/63/84/85/569638485.db2.gz GRBUMOPYVQVOBD-UKILVPOCSA-N 1 2 494.640 4.551 40 0 JJABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000033937255 569638650 /nfs/dbraw/zinc/63/86/50/569638650.db2.gz IEDKJRAHJOMPDJ-ILBGXUMGSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000033937255 569638651 /nfs/dbraw/zinc/63/86/51/569638651.db2.gz IEDKJRAHJOMPDJ-ILBGXUMGSA-N 1 2 478.641 4.625 40 0 JJABLO CCN(Cc1ccccc1Cl)C(=O)C[NH+](CC(=O)N(CC)Cc1ccccc1Cl)C1CC1 ZINC000085332556 569709693 /nfs/dbraw/zinc/70/96/93/569709693.db2.gz MIHNEHHHWUCEOS-UHFFFAOYSA-N 1 2 476.448 4.855 40 0 JJABLO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C)[N@H+]2C[C@H](O)COc2ccccc2)cc1OC ZINC000036367821 569773101 /nfs/dbraw/zinc/77/31/01/569773101.db2.gz DDIKBTWEGPODRH-ZIEGJXHLSA-N 1 2 472.585 4.961 40 0 JJABLO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C)[N@@H+]2C[C@H](O)COc2ccccc2)cc1OC ZINC000036367821 569773102 /nfs/dbraw/zinc/77/31/02/569773102.db2.gz DDIKBTWEGPODRH-ZIEGJXHLSA-N 1 2 472.585 4.961 40 0 JJABLO C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccs1)[N@H+]1C=Cc3ccccc3[C@@H]21 ZINC000102239065 569811193 /nfs/dbraw/zinc/81/11/93/569811193.db2.gz CBLUXPRLQMCWKL-NJXOERCFSA-N 1 2 454.551 4.703 40 0 JJABLO C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccs1)[N@@H+]1C=Cc3ccccc3[C@@H]21 ZINC000102239065 569811195 /nfs/dbraw/zinc/81/11/95/569811195.db2.gz CBLUXPRLQMCWKL-NJXOERCFSA-N 1 2 454.551 4.703 40 0 JJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223198960 569903181 /nfs/dbraw/zinc/90/31/81/569903181.db2.gz XGPDCRZOGOGDOJ-DNQXCXABSA-N 1 2 480.659 4.521 40 0 JJABLO Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223204105 569903368 /nfs/dbraw/zinc/90/33/68/569903368.db2.gz GMGZOHCJOCOPHN-DQEYMECFSA-N 1 2 497.064 4.998 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cccc(Cl)c1 ZINC000224150581 569934517 /nfs/dbraw/zinc/93/45/17/569934517.db2.gz DCZWJWFRCAEULI-UHFFFAOYSA-N 1 2 494.975 4.614 40 0 JJABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(C(F)(F)F)cc2)c(OC)cc1Cl ZINC000408628279 569981379 /nfs/dbraw/zinc/98/13/79/569981379.db2.gz VVHPZMNWRMHBKJ-IBGZPJMESA-N 1 2 493.873 4.548 40 0 JJABLO O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408635760 569986087 /nfs/dbraw/zinc/98/60/87/569986087.db2.gz IOEBSIJXYMUEQN-UHFFFAOYSA-N 1 2 457.961 4.787 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000408704062 570023699 /nfs/dbraw/zinc/02/36/99/570023699.db2.gz JGIMSBLNWLTDAV-VWLOTQADSA-N 1 2 485.519 4.585 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500299 570101320 /nfs/dbraw/zinc/10/13/20/570101320.db2.gz ASYYNXHXXUKNSR-QPPBQGQZSA-N 1 2 492.649 4.875 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500299 570101322 /nfs/dbraw/zinc/10/13/22/570101322.db2.gz ASYYNXHXXUKNSR-QPPBQGQZSA-N 1 2 492.649 4.875 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500400 570101788 /nfs/dbraw/zinc/10/17/88/570101788.db2.gz JYRPQUGRSSHXSG-FGZHOGPDSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500400 570101789 /nfs/dbraw/zinc/10/17/89/570101789.db2.gz JYRPQUGRSSHXSG-FGZHOGPDSA-N 1 2 466.630 4.821 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500414 570101813 /nfs/dbraw/zinc/10/18/13/570101813.db2.gz KZMBAFZUHACYIS-ILBGXUMGSA-N 1 2 494.640 4.963 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500414 570101815 /nfs/dbraw/zinc/10/18/15/570101815.db2.gz KZMBAFZUHACYIS-ILBGXUMGSA-N 1 2 494.640 4.963 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500463 570102030 /nfs/dbraw/zinc/10/20/30/570102030.db2.gz PHDDVFPZHUJMIQ-FGZHOGPDSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500463 570102031 /nfs/dbraw/zinc/10/20/31/570102031.db2.gz PHDDVFPZHUJMIQ-FGZHOGPDSA-N 1 2 466.630 4.821 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500507 570102197 /nfs/dbraw/zinc/10/21/97/570102197.db2.gz SGSWVYDSGNRMSY-DHIUTWEWSA-N 1 2 464.614 4.873 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500507 570102198 /nfs/dbraw/zinc/10/21/98/570102198.db2.gz SGSWVYDSGNRMSY-DHIUTWEWSA-N 1 2 464.614 4.873 40 0 JJABLO Cc1[nH]c2ccc(CCC(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccccc4F)CC3)cc2[nH+]1 ZINC000257203924 570108997 /nfs/dbraw/zinc/10/89/97/570108997.db2.gz ASFLNNNFCIPTDH-HHHXNRCGSA-N 1 2 490.623 4.805 40 0 JJABLO Cc1[nH]c2cc(CCC(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccccc4F)CC3)ccc2[nH+]1 ZINC000257203924 570108998 /nfs/dbraw/zinc/10/89/98/570108998.db2.gz ASFLNNNFCIPTDH-HHHXNRCGSA-N 1 2 490.623 4.805 40 0 JJABLO CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)[C@@H]3C[C@H]21 ZINC000257213225 570112048 /nfs/dbraw/zinc/11/20/48/570112048.db2.gz CGRBDXSJULFIAS-GWZVJQKXSA-N 1 2 473.573 4.559 40 0 JJABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257217036 570113207 /nfs/dbraw/zinc/11/32/07/570113207.db2.gz CXEGFRFHRJPGDE-QPPBQGQZSA-N 1 2 472.010 4.729 40 0 JJABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257217036 570113208 /nfs/dbraw/zinc/11/32/08/570113208.db2.gz CXEGFRFHRJPGDE-QPPBQGQZSA-N 1 2 472.010 4.729 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257230344 570117074 /nfs/dbraw/zinc/11/70/74/570117074.db2.gz GBVYHFOFOIFKQX-NRFANRHFSA-N 1 2 457.509 4.673 40 0 JJABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC[C@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257233238 570117924 /nfs/dbraw/zinc/11/79/24/570117924.db2.gz GOJDNBXIPHHHTJ-AREMUKBSSA-N 1 2 464.541 4.707 40 0 JJABLO Cc1cnc(Nc2cc([C@H]3CCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)C3)nc(C)n2)s1 ZINC000257233530 570117967 /nfs/dbraw/zinc/11/79/67/570117967.db2.gz GPPZKASOBDDLHX-IBGZPJMESA-N 1 2 489.649 4.858 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4ccc5ncccc5c4)C3)c2)nc(C)[nH+]1 ZINC000257238187 570119638 /nfs/dbraw/zinc/11/96/38/570119638.db2.gz HJYBCAOHUNZXNP-JOCHJYFZSA-N 1 2 467.573 4.717 40 0 JJABLO COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccccc4Cn4cc[nH+]c4)C3)n2)c1 ZINC000257249275 570122874 /nfs/dbraw/zinc/12/28/74/570122874.db2.gz JHNQOHZZPXZRMR-OAQYLSRUSA-N 1 2 469.545 4.542 40 0 JJABLO Cc1cc(OCC(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)c2ccccc2[nH+]1 ZINC000257263537 570127514 /nfs/dbraw/zinc/12/75/14/570127514.db2.gz LQKOYWCCIRIKTN-AHKZPQOWSA-N 1 2 466.553 4.518 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)nc1-c1ccc(F)cc1 ZINC000257265826 570128199 /nfs/dbraw/zinc/12/81/99/570128199.db2.gz MAMMXUBGBXYDEJ-RDPSFJRHSA-N 1 2 490.000 4.754 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)nc1-c1ccc(F)cc1 ZINC000257265826 570128200 /nfs/dbraw/zinc/12/82/00/570128200.db2.gz MAMMXUBGBXYDEJ-RDPSFJRHSA-N 1 2 490.000 4.754 40 0 JJABLO CC(C)CN1C(=O)CCC[C@]12CN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)C[C@H]2c1ccccc1 ZINC000257270912 570129839 /nfs/dbraw/zinc/12/98/39/570129839.db2.gz MWDYCCAMQBPPSG-LITSAYRRSA-N 1 2 470.617 4.578 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4cccc5cnccc54)C3)c2)nc(C)[nH+]1 ZINC000257275227 570131215 /nfs/dbraw/zinc/13/12/15/570131215.db2.gz NOKYEWRMUFAPIX-OAQYLSRUSA-N 1 2 467.573 4.717 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@H+](Cc2ccccc2)Cc2ccccc2Cl)C1 ZINC000257290529 570135730 /nfs/dbraw/zinc/13/57/30/570135730.db2.gz QDIDSVJRXQDYNK-DQEYMECFSA-N 1 2 450.966 4.724 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@@H+](Cc2ccccc2)Cc2ccccc2Cl)C1 ZINC000257290529 570135731 /nfs/dbraw/zinc/13/57/31/570135731.db2.gz QDIDSVJRXQDYNK-DQEYMECFSA-N 1 2 450.966 4.724 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4cccc5ccncc54)C3)c2)nc(C)[nH+]1 ZINC000257305714 570140017 /nfs/dbraw/zinc/14/00/17/570140017.db2.gz SRDQSUNBZVJVQD-OAQYLSRUSA-N 1 2 467.573 4.717 40 0 JJABLO COc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3ccccc3Cn3cc[nH+]c3)n2)cc1 ZINC000257336647 570149491 /nfs/dbraw/zinc/14/94/91/570149491.db2.gz YPIYURMZCNEHIU-XMMPIXPASA-N 1 2 469.545 4.808 40 0 JJABLO CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@H]3C[C@@H]21 ZINC000257338133 570149828 /nfs/dbraw/zinc/14/98/28/570149828.db2.gz YWASOVQKHNLDCG-BPEMXEAKSA-N 1 2 457.574 4.711 40 0 JJABLO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccccc1F ZINC000257338493 570150004 /nfs/dbraw/zinc/15/00/04/570150004.db2.gz YXRARIRTUGKKPW-HXUWFJFHSA-N 1 2 455.961 4.896 40 0 JJABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccccc1F ZINC000257338493 570150005 /nfs/dbraw/zinc/15/00/05/570150005.db2.gz YXRARIRTUGKKPW-HXUWFJFHSA-N 1 2 455.961 4.896 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N2NC=NC2=[NH+]1 ZINC000409178971 570158161 /nfs/dbraw/zinc/15/81/61/570158161.db2.gz LPXHUVTTXOLLDW-JOCHJYFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N2NC=[NH+]C2=N1 ZINC000409178971 570158162 /nfs/dbraw/zinc/15/81/62/570158162.db2.gz LPXHUVTTXOLLDW-JOCHJYFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N2NC=NC2=[NH+]1 ZINC000409184026 570160257 /nfs/dbraw/zinc/16/02/57/570160257.db2.gz WFOHJNNRSJUXMG-QFIPXVFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N2NC=[NH+]C2=N1 ZINC000409184026 570160259 /nfs/dbraw/zinc/16/02/59/570160259.db2.gz WFOHJNNRSJUXMG-QFIPXVFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409183930 570160307 /nfs/dbraw/zinc/16/03/07/570160307.db2.gz VHNHXSLOLQEDQQ-XMMPIXPASA-N 1 2 462.550 4.541 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409183930 570160309 /nfs/dbraw/zinc/16/03/09/570160309.db2.gz VHNHXSLOLQEDQQ-XMMPIXPASA-N 1 2 462.550 4.541 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(C)ccc1OC(C)=O ZINC000261362282 570167534 /nfs/dbraw/zinc/16/75/34/570167534.db2.gz CQKPKVMRJNDPIV-VWLOTQADSA-O 1 2 493.609 4.566 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000261363648 570168132 /nfs/dbraw/zinc/16/81/32/570168132.db2.gz VDQYLRQKUBVPHI-HSZRJFAPSA-O 1 2 479.969 4.994 40 0 JJABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(C)cc4)n[n+]32)ccc1O ZINC000261363981 570168282 /nfs/dbraw/zinc/16/82/82/570168282.db2.gz IWVOSPBHMLQRJJ-XMMPIXPASA-O 1 2 473.578 4.814 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC)c1OC ZINC000261364626 570168604 /nfs/dbraw/zinc/16/86/04/570168604.db2.gz MPHXRJJLSSQXLC-RUZDIDTESA-O 1 2 495.625 4.740 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c(OC)c1 ZINC000261365584 570169111 /nfs/dbraw/zinc/16/91/11/570169111.db2.gz TYBMADYISWLJIF-RUZDIDTESA-O 1 2 495.625 4.740 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Cl)c1 ZINC000261365709 570169262 /nfs/dbraw/zinc/16/92/62/570169262.db2.gz UUECMWZNKQXVHV-JOCHJYFZSA-O 1 2 455.991 4.986 40 0 JJABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000328964569 570179706 /nfs/dbraw/zinc/17/97/06/570179706.db2.gz BVXOKZDXRZZXMA-OAQYLSRUSA-N 1 2 460.500 5.392 40 0 JJABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000328967581 570179805 /nfs/dbraw/zinc/17/98/05/570179805.db2.gz CVVZUQRSJBWSCN-OAQYLSRUSA-N 1 2 460.500 5.392 40 0 JJABLO Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)ccc1Cl ZINC000328993123 570180784 /nfs/dbraw/zinc/18/07/84/570180784.db2.gz IZAFFPMZPSYGGY-UHFFFAOYSA-N 1 2 452.864 5.542 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329035334 570182615 /nfs/dbraw/zinc/18/26/15/570182615.db2.gz RDRYGDYGBFRZKL-FQEVSTJZSA-N 1 2 464.463 5.222 40 0 JJABLO CC[C@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329038599 570182650 /nfs/dbraw/zinc/18/26/50/570182650.db2.gz RSRMQVCWWIORBV-ZDUSSCGKSA-N 1 2 452.427 4.987 40 0 JJABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000408590982 570209147 /nfs/dbraw/zinc/20/91/47/570209147.db2.gz HOICXYYLLFTIGG-UHFFFAOYSA-N 1 2 471.022 4.835 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375510 194110226 /nfs/dbraw/zinc/11/02/26/194110226.db2.gz MKPWCGPAOGRNJI-HSZRJFAPSA-N 1 2 488.617 4.988 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375510 194110228 /nfs/dbraw/zinc/11/02/28/194110228.db2.gz MKPWCGPAOGRNJI-HSZRJFAPSA-N 1 2 488.617 4.988 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374394 194108629 /nfs/dbraw/zinc/10/86/29/194108629.db2.gz NHBUMGZZCWFATB-QFIPXVFZSA-N 1 2 480.638 4.883 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374394 194108632 /nfs/dbraw/zinc/10/86/32/194108632.db2.gz NHBUMGZZCWFATB-QFIPXVFZSA-N 1 2 480.638 4.883 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374631 194109044 /nfs/dbraw/zinc/10/90/44/194109044.db2.gz SESXOOOLLRTFCC-XMMPIXPASA-N 1 2 492.599 4.961 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374631 194109047 /nfs/dbraw/zinc/10/90/47/194109047.db2.gz SESXOOOLLRTFCC-XMMPIXPASA-N 1 2 492.599 4.961 40 0 JJABLO Cc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c(Br)c1 ZINC000001380606 194113228 /nfs/dbraw/zinc/11/32/28/194113228.db2.gz IZEJTERLWACCMF-UHFFFAOYSA-N 1 2 496.331 4.797 40 0 JJABLO CCOC(=O)c1c2ccc(Br)c(OCC)c2sc1NC(=O)C[NH+]1CCCCC1 ZINC000003075101 194224298 /nfs/dbraw/zinc/22/42/98/194224298.db2.gz KDVQOQVHVAFFHJ-UHFFFAOYSA-N 1 2 469.401 4.664 40 0 JJABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1cccc2ccccc21 ZINC000020672805 195199190 /nfs/dbraw/zinc/19/91/90/195199190.db2.gz XAMCNZPNFIRQKC-UHFFFAOYSA-N 1 2 490.611 4.773 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589648 195351303 /nfs/dbraw/zinc/35/13/03/195351303.db2.gz RBIRVSAGTKDOTK-DEOSSOPVSA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589648 195351305 /nfs/dbraw/zinc/35/13/05/195351305.db2.gz RBIRVSAGTKDOTK-DEOSSOPVSA-N 1 2 458.610 4.888 40 0 JJABLO COc1ccc2cc(CN(Cc3ccccc3)c3ccc([NH+]4CCC(O)CC4)cc3)c(=O)[nH]c2c1 ZINC000057720439 195358468 /nfs/dbraw/zinc/35/84/68/195358468.db2.gz LHBZMOHSGBLFQM-UHFFFAOYSA-N 1 2 469.585 4.705 40 0 JJABLO COc1cc(NC(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000020503162 522686233 /nfs/dbraw/zinc/68/62/33/522686233.db2.gz QCTCFGQHXIDZCT-UHFFFAOYSA-N 1 2 467.516 4.921 40 0 JJABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000044904418 526649266 /nfs/dbraw/zinc/64/92/66/526649266.db2.gz SWSRIPCXUWODCG-HHHXNRCGSA-N 1 2 468.582 4.577 40 0 JJABLO O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044948072 526702559 /nfs/dbraw/zinc/70/25/59/526702559.db2.gz SNIICBRSQUDNPU-JXMROGBWSA-N 1 2 496.032 4.612 40 0 JJABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000044899774 527385372 /nfs/dbraw/zinc/38/53/72/527385372.db2.gz IAUCVCLGCZSAMO-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000925728 553861823 /nfs/dbraw/zinc/86/18/23/553861823.db2.gz NLJOBAOWGGGOKS-UHFFFAOYSA-N 1 2 456.594 4.573 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000925728 553861825 /nfs/dbraw/zinc/86/18/25/553861825.db2.gz NLJOBAOWGGGOKS-UHFFFAOYSA-N 1 2 456.594 4.573 40 0 JJABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006409983 554535068 /nfs/dbraw/zinc/53/50/68/554535068.db2.gz LCTAHWVDAIZVOX-HHHXNRCGSA-N 1 2 482.632 4.982 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494443 555404599 /nfs/dbraw/zinc/40/45/99/555404599.db2.gz DCBMRPSMROBJNM-QFIPXVFZSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494443 555404600 /nfs/dbraw/zinc/40/46/00/555404600.db2.gz DCBMRPSMROBJNM-QFIPXVFZSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494444 555404604 /nfs/dbraw/zinc/40/46/04/555404604.db2.gz AEMFSOUESFFNPX-HSZRJFAPSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494444 555404605 /nfs/dbraw/zinc/40/46/05/555404605.db2.gz AEMFSOUESFFNPX-HSZRJFAPSA-N 1 2 462.573 4.871 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494527 555404989 /nfs/dbraw/zinc/40/49/89/555404989.db2.gz UOCSCUGIHUCCNC-JOCHJYFZSA-N 1 2 480.638 4.883 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494527 555404991 /nfs/dbraw/zinc/40/49/91/555404991.db2.gz UOCSCUGIHUCCNC-JOCHJYFZSA-N 1 2 480.638 4.883 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494652 555405380 /nfs/dbraw/zinc/40/53/80/555405380.db2.gz YIXOIELBQQBRDH-RUZDIDTESA-N 1 2 468.561 4.618 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494652 555405382 /nfs/dbraw/zinc/40/53/82/555405382.db2.gz YIXOIELBQQBRDH-RUZDIDTESA-N 1 2 468.561 4.618 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498580 555422613 /nfs/dbraw/zinc/42/26/13/555422613.db2.gz NJHPCNNIZBMWSB-DEOSSOPVSA-N 1 2 488.617 4.925 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498580 555422614 /nfs/dbraw/zinc/42/26/14/555422614.db2.gz NJHPCNNIZBMWSB-DEOSSOPVSA-N 1 2 488.617 4.925 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498701 555423765 /nfs/dbraw/zinc/42/37/65/555423765.db2.gz JUKKNPPSECNPKE-XMMPIXPASA-N 1 2 474.609 4.678 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498701 555423767 /nfs/dbraw/zinc/42/37/67/555423767.db2.gz JUKKNPPSECNPKE-XMMPIXPASA-N 1 2 474.609 4.678 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498757 555424175 /nfs/dbraw/zinc/42/41/75/555424175.db2.gz PWWVHEYXOOSVJU-AREMUKBSSA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498757 555424177 /nfs/dbraw/zinc/42/41/77/555424177.db2.gz PWWVHEYXOOSVJU-AREMUKBSSA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500233 555438064 /nfs/dbraw/zinc/43/80/64/555438064.db2.gz SYCDTEJRHAOARB-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500233 555438067 /nfs/dbraw/zinc/43/80/67/555438067.db2.gz SYCDTEJRHAOARB-VWLOTQADSA-N 1 2 488.636 4.986 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500309 555438869 /nfs/dbraw/zinc/43/88/69/555438869.db2.gz YGXONDMYLQYHBV-AREMUKBSSA-N 1 2 482.588 4.864 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500309 555438872 /nfs/dbraw/zinc/43/88/72/555438872.db2.gz YGXONDMYLQYHBV-AREMUKBSSA-N 1 2 482.588 4.864 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500792 555443966 /nfs/dbraw/zinc/44/39/66/555443966.db2.gz IULVWCWWUAZONI-LOSJGSFVSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500792 555443968 /nfs/dbraw/zinc/44/39/68/555443968.db2.gz IULVWCWWUAZONI-LOSJGSFVSA-N 1 2 486.620 4.546 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500870 555444950 /nfs/dbraw/zinc/44/49/50/555444950.db2.gz MWYLKDQALXQDIH-BJKOFHAPSA-N 1 2 478.641 4.851 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500870 555444953 /nfs/dbraw/zinc/44/49/53/555444953.db2.gz MWYLKDQALXQDIH-BJKOFHAPSA-N 1 2 478.641 4.851 40 0 JJABLO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F ZINC000013564956 555500325 /nfs/dbraw/zinc/50/03/25/555500325.db2.gz DOOVLHUZFXZHRN-UHFFFAOYSA-N 1 2 478.593 4.885 40 0 JJABLO Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[NH+]5CCCCC5)n4)ccc32)c1 ZINC000013564961 555500332 /nfs/dbraw/zinc/50/03/32/555500332.db2.gz XMRJBSRDLPSCQR-UHFFFAOYSA-N 1 2 460.603 4.746 40 0 JJABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000019940788 555559205 /nfs/dbraw/zinc/55/92/05/555559205.db2.gz ITLPTHXKKIGZJS-AREMUKBSSA-N 1 2 468.605 4.784 40 0 JJABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000019940788 555559207 /nfs/dbraw/zinc/55/92/07/555559207.db2.gz ITLPTHXKKIGZJS-AREMUKBSSA-N 1 2 468.605 4.784 40 0 JJABLO O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013687653 555580794 /nfs/dbraw/zinc/58/07/94/555580794.db2.gz JLMGEIPEEVZGRO-UHFFFAOYSA-N 1 2 464.949 4.606 40 0 JJABLO O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020105947 555639546 /nfs/dbraw/zinc/63/95/46/555639546.db2.gz BWIQGBZNCZQCPU-JXMROGBWSA-N 1 2 496.032 4.612 40 0 JJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2Cl)c1C ZINC000014154925 555712861 /nfs/dbraw/zinc/71/28/61/555712861.db2.gz GKNVWBCZXZQNDT-UHFFFAOYSA-N 1 2 498.048 4.716 40 0 JJABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015674236 555933247 /nfs/dbraw/zinc/93/32/47/555933247.db2.gz YTJSOVFXLDGFJP-PBHICJAKSA-N 1 2 489.372 4.842 40 0 biogenic,in-vitro JJABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015674236 555933249 /nfs/dbraw/zinc/93/32/49/555933249.db2.gz YTJSOVFXLDGFJP-PBHICJAKSA-N 1 2 489.372 4.842 40 0 biogenic,in-vitro JJABLO COc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675778 555934657 /nfs/dbraw/zinc/93/46/57/555934657.db2.gz PKYWRRSQZISDKE-IBGZPJMESA-N 1 2 484.438 4.819 40 0 biogenic,in-vitro JJABLO COc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675778 555934659 /nfs/dbraw/zinc/93/46/59/555934659.db2.gz PKYWRRSQZISDKE-IBGZPJMESA-N 1 2 484.438 4.819 40 0 biogenic,in-vitro JJABLO CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](c2ccc(F)cc2)n2c3ccccc3[nH+]c2N1 ZINC000022579335 555939331 /nfs/dbraw/zinc/93/93/31/555939331.db2.gz UKQXEHGLXKOCAP-AREMUKBSSA-N 1 2 467.548 4.813 40 0 JJABLO COC(=O)c1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022718544 555948450 /nfs/dbraw/zinc/94/84/50/555948450.db2.gz ZTBYSICFSRITGE-UHFFFAOYSA-N 1 2 481.568 4.855 40 0 JJABLO O=C(COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21)NCc1ccco1 ZINC000028616742 556336850 /nfs/dbraw/zinc/33/68/50/556336850.db2.gz VDDHTOREYYOZAO-UHFFFAOYSA-N 1 2 468.604 4.694 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019526624 556351636 /nfs/dbraw/zinc/35/16/36/556351636.db2.gz UXGFOVSQOPWHBO-MHZLTWQESA-N 1 2 494.599 4.573 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019526624 556351637 /nfs/dbraw/zinc/35/16/37/556351637.db2.gz UXGFOVSQOPWHBO-MHZLTWQESA-N 1 2 494.599 4.573 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000019568280 556354960 /nfs/dbraw/zinc/35/49/60/556354960.db2.gz QGMIHKZJASCMDU-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000019568280 556354963 /nfs/dbraw/zinc/35/49/63/556354963.db2.gz QGMIHKZJASCMDU-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO O=S1(=O)C[C@H]2[C@@H](C1)[NH+]=C(SCc1ccc(Cl)c(Cl)c1)N2Cc1ccc(Cl)cc1 ZINC000032508708 556443472 /nfs/dbraw/zinc/44/34/72/556443472.db2.gz YQWNKSAOGPCCHD-MSOLQXFVSA-N 1 2 475.850 4.917 40 0 JJABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288497 560034777 /nfs/dbraw/zinc/03/47/77/560034777.db2.gz GIYBIAHXIFSGNX-RDJZCZTQSA-N 1 2 477.483 4.626 40 0 biogenic,in-vitro JJABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288497 560034778 /nfs/dbraw/zinc/03/47/78/560034778.db2.gz GIYBIAHXIFSGNX-RDJZCZTQSA-N 1 2 477.483 4.626 40 0 biogenic,in-vitro JJABLO C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)c1cccs1 ZINC000033935851 569638191 /nfs/dbraw/zinc/63/81/91/569638191.db2.gz CBLUXPRLQMCWKL-KBNSAFIFSA-N 1 2 454.551 4.703 40 0 JJABLO C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)c1cccs1 ZINC000033935851 569638193 /nfs/dbraw/zinc/63/81/93/569638193.db2.gz CBLUXPRLQMCWKL-KBNSAFIFSA-N 1 2 454.551 4.703 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000033937330 569638859 /nfs/dbraw/zinc/63/88/59/569638859.db2.gz PAPSEXXRFVPVCW-ILBGXUMGSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000033937330 569638861 /nfs/dbraw/zinc/63/88/61/569638861.db2.gz PAPSEXXRFVPVCW-ILBGXUMGSA-N 1 2 478.641 4.625 40 0 JJABLO O=c1[nH]c2c(cc1C[NH2+]c1ccc(N3CCOCC3)cc1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000072336310 569703392 /nfs/dbraw/zinc/70/33/92/569703392.db2.gz NJLYVZDVTHQZNM-UHFFFAOYSA-N 1 2 495.558 4.969 40 0 JJABLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195529387 569873538 /nfs/dbraw/zinc/87/35/38/569873538.db2.gz ZHGLTXZFIKPQKB-VQQMMKBISA-N 1 2 473.662 4.814 40 0 JJABLO O=C(N/C(=C/c1c[nH]c2ccccc12)C(=O)N1CC[NH+](/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000211524260 569876168 /nfs/dbraw/zinc/87/61/68/569876168.db2.gz YFSYJWGTHWBCMT-AQLRCGOSSA-N 1 2 476.580 4.754 40 0 JJABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C1CCCCC1 ZINC000223180562 569902313 /nfs/dbraw/zinc/90/23/13/569902313.db2.gz UWAIKRSFVDMPNU-IZZNHLLZSA-N 1 2 481.710 4.700 40 0 JJABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199066 569903161 /nfs/dbraw/zinc/90/31/61/569903161.db2.gz XGPDCRZOGOGDOJ-RPWUZVMVSA-N 1 2 480.659 4.521 40 0 JJABLO Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223203931 569903352 /nfs/dbraw/zinc/90/33/52/569903352.db2.gz GMGZOHCJOCOPHN-JWQCQUIFSA-N 1 2 497.064 4.998 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223546116 569915465 /nfs/dbraw/zinc/91/54/65/569915465.db2.gz FKJSQHNJHFTJSG-DQEYMECFSA-N 1 2 454.603 4.506 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cc(C)cc(C)c1 ZINC000224197998 569936120 /nfs/dbraw/zinc/93/61/20/569936120.db2.gz WBKPICFHCZTXOS-UHFFFAOYSA-N 1 2 488.584 4.578 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1OC ZINC000224248225 569938033 /nfs/dbraw/zinc/93/80/33/569938033.db2.gz CPSRGJXMCZELOV-DHZHZOJOSA-N 1 2 472.585 4.754 40 0 JJABLO O=C(CCc1ncc(-c2cccc(Br)c2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224891208 569962067 /nfs/dbraw/zinc/96/20/67/569962067.db2.gz DRTZFEVVLDLUNI-VMPITWQZSA-N 1 2 480.406 4.894 40 0 JJABLO O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225736011 570018730 /nfs/dbraw/zinc/01/87/30/570018730.db2.gz BWGGEBGNZNJMEH-UHFFFAOYSA-N 1 2 471.988 4.589 40 0 JJABLO O=C(c1snnc1-c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225780846 570021191 /nfs/dbraw/zinc/02/11/91/570021191.db2.gz AAHKFWGPUVBGOY-UHFFFAOYSA-N 1 2 458.562 4.892 40 0 JJABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2c(Cl)cccc2Cl)c(OC)cc1Cl ZINC000408703355 570023225 /nfs/dbraw/zinc/02/32/25/570023225.db2.gz FKVYPUDDNFNCOG-IBGZPJMESA-N 1 2 494.766 4.836 40 0 JJABLO C[C@@H]1Cc2cccc3c2n1cc(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c3=O ZINC000225862568 570025426 /nfs/dbraw/zinc/02/54/26/570025426.db2.gz OQARCOWCEDPLJE-OAQYLSRUSA-N 1 2 463.581 4.666 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500382 570101521 /nfs/dbraw/zinc/10/15/21/570101521.db2.gz ILUDZJHIBYAHMI-GGAORHGYSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500382 570101522 /nfs/dbraw/zinc/10/15/22/570101522.db2.gz ILUDZJHIBYAHMI-GGAORHGYSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500360 570101548 /nfs/dbraw/zinc/10/15/48/570101548.db2.gz GXSBYQZJDOCGJE-IFMALSPDSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500360 570101549 /nfs/dbraw/zinc/10/15/49/570101549.db2.gz GXSBYQZJDOCGJE-IFMALSPDSA-N 1 2 466.630 4.821 40 0 JJABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253500346 570101554 /nfs/dbraw/zinc/10/15/54/570101554.db2.gz DYZYWMBGQWJPTH-AOYPEHQESA-N 1 2 486.620 4.814 40 0 JJABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253500346 570101555 /nfs/dbraw/zinc/10/15/55/570101555.db2.gz DYZYWMBGQWJPTH-AOYPEHQESA-N 1 2 486.620 4.814 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500464 570101923 /nfs/dbraw/zinc/10/19/23/570101923.db2.gz PHDDVFPZHUJMIQ-YADHBBJMSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500464 570101925 /nfs/dbraw/zinc/10/19/25/570101925.db2.gz PHDDVFPZHUJMIQ-YADHBBJMSA-N 1 2 466.630 4.821 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500598 570102396 /nfs/dbraw/zinc/10/23/96/570102396.db2.gz XXASKGYPQODRGW-QPPBQGQZSA-N 1 2 492.649 4.875 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500598 570102397 /nfs/dbraw/zinc/10/23/97/570102397.db2.gz XXASKGYPQODRGW-QPPBQGQZSA-N 1 2 492.649 4.875 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253616910 570104978 /nfs/dbraw/zinc/10/49/78/570104978.db2.gz YAWXWTBZUPBAEB-VWNXMTODSA-N 1 2 464.614 4.791 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253616910 570104980 /nfs/dbraw/zinc/10/49/80/570104980.db2.gz YAWXWTBZUPBAEB-VWNXMTODSA-N 1 2 464.614 4.791 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCC4(C[C@H](Oc5ccccc5)CO4)CC3)c2)nc(C)[nH+]1 ZINC000257202080 570108477 /nfs/dbraw/zinc/10/84/77/570108477.db2.gz AKIWPQVHTUQVDF-DEOSSOPVSA-N 1 2 458.562 4.680 40 0 JJABLO Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3cccc(-c4ccc(N)[nH+]c4)n3)CC2)n1 ZINC000257215144 570112591 /nfs/dbraw/zinc/11/25/91/570112591.db2.gz COWWPFRKDAMHMH-UHFFFAOYSA-N 1 2 466.545 4.636 40 0 JJABLO CC(=O)N1CC[N@H+](Cc2ccccc2OCc2ccccn2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257225985 570115802 /nfs/dbraw/zinc/11/58/02/570115802.db2.gz FIRJNMRVSOPJRX-HHHXNRCGSA-N 1 2 459.590 4.853 40 0 JJABLO CC(=O)N1CC[N@@H+](Cc2ccccc2OCc2ccccn2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257225985 570115804 /nfs/dbraw/zinc/11/58/04/570115804.db2.gz FIRJNMRVSOPJRX-HHHXNRCGSA-N 1 2 459.590 4.853 40 0 JJABLO COc1ccc(C(=O)N2CCC[C@@H](Cc3cccn4cc[nH+]c34)CC2)cc1NCc1cccnc1 ZINC000257240393 570120408 /nfs/dbraw/zinc/12/04/08/570120408.db2.gz HTFHSXXWUHJDDB-OAQYLSRUSA-N 1 2 469.589 4.835 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257246402 570122053 /nfs/dbraw/zinc/12/20/53/570122053.db2.gz ITZIBCAIVKTVMH-DEOSSOPVSA-N 1 2 473.592 4.664 40 0 JJABLO Cc1cc(Oc2ccccc2F)nc(C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)n1 ZINC000257250183 570123153 /nfs/dbraw/zinc/12/31/53/570123153.db2.gz JLKAKACQSIKFNY-UHFFFAOYSA-N 1 2 471.536 4.981 40 0 JJABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000257250654 570123329 /nfs/dbraw/zinc/12/33/29/570123329.db2.gz JNLGUEIYKAVRGR-FQEVSTJZSA-N 1 2 489.023 4.768 40 0 JJABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3O[C@@H]4c5ccc(C)cc5OC(C)(C)[C@H]4C[C@@H]3C2)cc1 ZINC000257261433 570126714 /nfs/dbraw/zinc/12/67/14/570126714.db2.gz LHGZXDRSDQXLBC-MBPYSEENSA-N 1 2 462.590 4.775 40 0 JJABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3O[C@@H]4c5ccc(C)cc5OC(C)(C)[C@H]4C[C@@H]3C2)cc1 ZINC000257261433 570126716 /nfs/dbraw/zinc/12/67/16/570126716.db2.gz LHGZXDRSDQXLBC-MBPYSEENSA-N 1 2 462.590 4.775 40 0 JJABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1Oc1ccccc1 ZINC000257275256 570131237 /nfs/dbraw/zinc/13/12/37/570131237.db2.gz NOOQOUFUGHKVNO-UPVQGACJSA-N 1 2 475.427 4.852 40 0 JJABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1Oc1ccccc1 ZINC000257275256 570131238 /nfs/dbraw/zinc/13/12/38/570131238.db2.gz NOOQOUFUGHKVNO-UPVQGACJSA-N 1 2 475.427 4.852 40 0 JJABLO Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)CCn3c[nH+]c4cc(C)c(C)cc43)n2)nc1 ZINC000257279115 570132421 /nfs/dbraw/zinc/13/24/21/570132421.db2.gz OFBIDKMYZLTXHS-DEOSSOPVSA-N 1 2 482.588 4.758 40 0 JJABLO COc1cc(C(=O)N2CCC[C@@H](Cc3cccn4cc[nH+]c34)CC2)ccc1OCc1ccccn1 ZINC000257279545 570132605 /nfs/dbraw/zinc/13/26/05/570132605.db2.gz OHDMGHYOPUGZGG-OAQYLSRUSA-N 1 2 470.573 4.802 40 0 JJABLO Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000257281579 570133107 /nfs/dbraw/zinc/13/31/07/570133107.db2.gz OPYNTXVUDDUAQP-UHFFFAOYSA-N 1 2 453.546 4.842 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257289550 570135472 /nfs/dbraw/zinc/13/54/72/570135472.db2.gz PZCSVGFHWVREKX-JTHBVZDNSA-N 1 2 468.491 4.714 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257289550 570135474 /nfs/dbraw/zinc/13/54/74/570135474.db2.gz PZCSVGFHWVREKX-JTHBVZDNSA-N 1 2 468.491 4.714 40 0 JJABLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccccc4)C3)n2)cc1 ZINC000257296325 570137281 /nfs/dbraw/zinc/13/72/81/570137281.db2.gz RCGYSMTUJRTVJG-RPLLCQBOSA-N 1 2 479.646 4.988 40 0 JJABLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccccc4)C3)n2)cc1 ZINC000257296325 570137282 /nfs/dbraw/zinc/13/72/82/570137282.db2.gz RCGYSMTUJRTVJG-RPLLCQBOSA-N 1 2 479.646 4.988 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000257309222 570141100 /nfs/dbraw/zinc/14/11/00/570141100.db2.gz UAAAJADWUGQYHR-OAQYLSRUSA-N 1 2 457.509 4.673 40 0 JJABLO COc1ccc(C(=O)N2CCC[C@H](Cc3cccc4[nH+]ccn43)CC2)cc1NCc1cccnc1 ZINC000257309614 570141286 /nfs/dbraw/zinc/14/12/86/570141286.db2.gz UBQCVOWYKWQODH-NRFANRHFSA-N 1 2 469.589 4.835 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257331810 570148064 /nfs/dbraw/zinc/14/80/64/570148064.db2.gz XUITXWPAJYCYSY-VWLOTQADSA-N 1 2 457.965 4.943 40 0 JJABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257331638 570148203 /nfs/dbraw/zinc/14/82/03/570148203.db2.gz XTQZZXQFOZCDIJ-SANMLTNESA-N 1 2 464.541 4.536 40 0 JJABLO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccccc1F ZINC000257333409 570148567 /nfs/dbraw/zinc/14/85/67/570148567.db2.gz YBKFNESPCWVMLZ-FQEVSTJZSA-N 1 2 455.961 4.896 40 0 JJABLO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccccc1F ZINC000257333409 570148568 /nfs/dbraw/zinc/14/85/68/570148568.db2.gz YBKFNESPCWVMLZ-FQEVSTJZSA-N 1 2 455.961 4.896 40 0 JJABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC3(C[C@H](Cc4cccc(F)c4)N(CC(C)C)C3=O)CC2)cc1 ZINC000257339553 570150268 /nfs/dbraw/zinc/15/02/68/570150268.db2.gz ZCFOULSLBCGAKR-SANMLTNESA-N 1 2 493.623 4.549 40 0 JJABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc(O)c(Br)c1 ZINC000261361568 570167193 /nfs/dbraw/zinc/16/71/93/570167193.db2.gz AAGFLXCSOKBEII-NRFANRHFSA-O 1 2 494.394 4.870 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OCC)c1 ZINC000261362060 570167388 /nfs/dbraw/zinc/16/73/88/570167388.db2.gz BZADDBYOGHLKLT-DEOSSOPVSA-O 1 2 465.599 4.731 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261362528 570167694 /nfs/dbraw/zinc/16/76/94/570167694.db2.gz KENVCMIBIAZRBK-IBGZPJMESA-O 1 2 474.404 4.860 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccccc2Cl)o1 ZINC000261363624 570168016 /nfs/dbraw/zinc/16/80/16/570168016.db2.gz ULBKDVRNPXOSFA-QFIPXVFZSA-O 1 2 465.942 4.685 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000261363743 570168180 /nfs/dbraw/zinc/16/81/80/570168180.db2.gz HZHCIWWPQYFOPZ-HSZRJFAPSA-O 1 2 463.514 4.561 40 0 JJABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(C)cc4)n[n+]32)ccc1O ZINC000261363980 570168230 /nfs/dbraw/zinc/16/82/30/570168230.db2.gz IWVOSPBHMLQRJJ-DEOSSOPVSA-O 1 2 473.578 4.814 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1OCC ZINC000261364101 570168384 /nfs/dbraw/zinc/16/83/84/570168384.db2.gz JGDHQYYHFNLBHT-XMMPIXPASA-O 1 2 465.599 4.731 40 0 JJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000261364131 570168452 /nfs/dbraw/zinc/16/84/52/570168452.db2.gz JLNHDTLGSIMDKE-RUZDIDTESA-O 1 2 473.578 4.714 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000261365260 570168850 /nfs/dbraw/zinc/16/88/50/570168850.db2.gz QZLPNXHXHOWPMD-AREMUKBSSA-O 1 2 485.589 4.741 40 0 JJABLO CCCCOc1ccccc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]21 ZINC000261365185 570168900 /nfs/dbraw/zinc/16/89/00/570168900.db2.gz QQWVORNKQNRZEP-XMMPIXPASA-O 1 2 465.599 4.731 40 0 JJABLO CCCCOc1ccccc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]21 ZINC000261365184 570168957 /nfs/dbraw/zinc/16/89/57/570168957.db2.gz QQWVORNKQNRZEP-DEOSSOPVSA-O 1 2 465.599 4.731 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328959267 570179450 /nfs/dbraw/zinc/17/94/50/570179450.db2.gz ASOCRBQZZBXHGI-INIZCTEOSA-N 1 2 459.310 5.308 40 0 JJABLO C[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328966304 570179730 /nfs/dbraw/zinc/17/97/30/570179730.db2.gz CLCJHPMLNJNGDY-GFCCVEGCSA-N 1 2 456.390 4.561 40 0 JJABLO CNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328972672 570180061 /nfs/dbraw/zinc/18/00/61/570180061.db2.gz DXQQCPNGOPZRKX-UHFFFAOYSA-N 1 2 457.225 4.573 40 0 JJABLO CNc1nc(Nc2ccc(C)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329037081 570182652 /nfs/dbraw/zinc/18/26/52/570182652.db2.gz RLXNIFUEMZPAGV-UHFFFAOYSA-N 1 2 453.262 4.742 40 0 JJABLO COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329041249 570182775 /nfs/dbraw/zinc/18/27/75/570182775.db2.gz SHDJGLIJXUXMNF-HXUWFJFHSA-N 1 2 476.499 5.092 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329061730 570183441 /nfs/dbraw/zinc/18/34/41/570183441.db2.gz WSWCWSKABKGFAX-GOSISDBHSA-N 1 2 452.502 5.145 40 0 JJABLO O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408574876 570205535 /nfs/dbraw/zinc/20/55/35/570205535.db2.gz FGAAOPDVMBHUQD-KALHOTQMSA-N 1 2 497.664 4.932 40 0 JJABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001346637 194099033 /nfs/dbraw/zinc/09/90/33/194099033.db2.gz QUYRGXZDDTVTBG-UHFFFAOYSA-N 1 2 459.453 4.574 40 0 JJABLO COc1cccc(-c2csc(N3CC[NH+](CC(=O)Nc4c(C)cc(C)cc4C)CC3)n2)c1 ZINC000001349795 194099332 /nfs/dbraw/zinc/09/93/32/194099332.db2.gz VSQMGGMJOFGWMC-UHFFFAOYSA-N 1 2 450.608 4.505 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374095 194108162 /nfs/dbraw/zinc/10/81/62/194108162.db2.gz AWDAIBFAYTVESV-XMMPIXPASA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374095 194108164 /nfs/dbraw/zinc/10/81/64/194108164.db2.gz AWDAIBFAYTVESV-XMMPIXPASA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374094 194108243 /nfs/dbraw/zinc/10/82/43/194108243.db2.gz AWDAIBFAYTVESV-DEOSSOPVSA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374094 194108246 /nfs/dbraw/zinc/10/82/46/194108246.db2.gz AWDAIBFAYTVESV-DEOSSOPVSA-N 1 2 474.609 4.740 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374081 194108360 /nfs/dbraw/zinc/10/83/60/194108360.db2.gz VCCKEYJGWVQUON-XMMPIXPASA-N 1 2 488.617 4.933 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374081 194108363 /nfs/dbraw/zinc/10/83/63/194108363.db2.gz VCCKEYJGWVQUON-XMMPIXPASA-N 1 2 488.617 4.933 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374486 194108947 /nfs/dbraw/zinc/10/89/47/194108947.db2.gz PKGRAGDWZUVKEJ-AREMUKBSSA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374486 194108950 /nfs/dbraw/zinc/10/89/50/194108950.db2.gz PKGRAGDWZUVKEJ-AREMUKBSSA-N 1 2 498.587 4.626 40 0 JJABLO Cc1cc(N2CCOCC2)nc2ccc(Cc3ccc4[nH+]c(N5CCOCC5)cc(C)c4c3)cc12 ZINC000001592018 194128726 /nfs/dbraw/zinc/12/87/26/194128726.db2.gz SVIZVCWUPRZEPR-UHFFFAOYSA-N 1 2 468.601 4.664 40 0 in-vitro JJABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccccc1C)CCC2 ZINC000012643123 195072324 /nfs/dbraw/zinc/07/23/24/195072324.db2.gz DTYJMCCDMXAQLJ-UHFFFAOYSA-N 1 2 493.614 4.582 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cncc(Br)c4)cc3n2)cc1 ZINC000020611032 195184506 /nfs/dbraw/zinc/18/45/06/195184506.db2.gz DHLSILUZAYLDTA-UHFFFAOYSA-N 1 2 479.382 4.985 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589749 195351726 /nfs/dbraw/zinc/35/17/26/195351726.db2.gz QKRCKSXCNUTZPE-RUZDIDTESA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589749 195351729 /nfs/dbraw/zinc/35/17/29/195351729.db2.gz QKRCKSXCNUTZPE-RUZDIDTESA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589736 195351741 /nfs/dbraw/zinc/35/17/41/195351741.db2.gz WZAFVBXDLHSWHY-MHZLTWQESA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589736 195351743 /nfs/dbraw/zinc/35/17/43/195351743.db2.gz WZAFVBXDLHSWHY-MHZLTWQESA-N 1 2 478.600 4.791 40 0 JJABLO CC(=O)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022576352 519756000 /nfs/dbraw/zinc/75/60/00/519756000.db2.gz VZXRBTTXAUZWBO-UHFFFAOYSA-N 1 2 479.568 4.879 40 0 JJABLO O=C(c1ccc(-c2ccccc2)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464531 526652814 /nfs/dbraw/zinc/65/28/14/526652814.db2.gz QSICDXRBSGWIAW-QHCPKHFHSA-N 1 2 491.507 4.795 40 0 biogenic,in-vitro JJABLO O=C(c1ccc(-c2ccccc2)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464531 526652818 /nfs/dbraw/zinc/65/28/18/526652818.db2.gz QSICDXRBSGWIAW-QHCPKHFHSA-N 1 2 491.507 4.795 40 0 biogenic,in-vitro JJABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000044883320 527373336 /nfs/dbraw/zinc/37/33/36/527373336.db2.gz NONFHHUBKJNAMK-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO COc1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000000932813 553871189 /nfs/dbraw/zinc/87/11/89/553871189.db2.gz IGHCJOYQKHHCPU-UHFFFAOYSA-N 1 2 472.010 4.841 40 0 JJABLO Cc1cc(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000008870912 554765881 /nfs/dbraw/zinc/76/58/81/554765881.db2.gz CPMQAVDVRGDPNX-UHFFFAOYSA-N 1 2 459.453 4.896 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494286 555403864 /nfs/dbraw/zinc/40/38/64/555403864.db2.gz BXJJFLDVDGKTBM-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494286 555403868 /nfs/dbraw/zinc/40/38/68/555403868.db2.gz BXJJFLDVDGKTBM-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494521 555404916 /nfs/dbraw/zinc/40/49/16/555404916.db2.gz NQAIVJHASAWFED-OAQYLSRUSA-N 1 2 450.612 4.793 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494521 555404921 /nfs/dbraw/zinc/40/49/21/555404921.db2.gz NQAIVJHASAWFED-OAQYLSRUSA-N 1 2 450.612 4.793 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494525 555405000 /nfs/dbraw/zinc/40/50/00/555405000.db2.gz UOCSCUGIHUCCNC-QFIPXVFZSA-N 1 2 480.638 4.883 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494525 555405003 /nfs/dbraw/zinc/40/50/03/555405003.db2.gz UOCSCUGIHUCCNC-QFIPXVFZSA-N 1 2 480.638 4.883 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495767 555409115 /nfs/dbraw/zinc/40/91/15/555409115.db2.gz RTULHORYXGNWEL-QHCPKHFHSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495767 555409118 /nfs/dbraw/zinc/40/91/18/555409118.db2.gz RTULHORYXGNWEL-QHCPKHFHSA-N 1 2 474.590 4.679 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495796 555409209 /nfs/dbraw/zinc/40/92/09/555409209.db2.gz FRALFVJGRKORMO-OAQYLSRUSA-N 1 2 492.605 4.573 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495796 555409210 /nfs/dbraw/zinc/40/92/10/555409210.db2.gz FRALFVJGRKORMO-OAQYLSRUSA-N 1 2 492.605 4.573 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498725 555423797 /nfs/dbraw/zinc/42/37/97/555423797.db2.gz FOTDMWBZWZJYHY-XMMPIXPASA-N 1 2 476.581 4.631 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498725 555423799 /nfs/dbraw/zinc/42/37/99/555423799.db2.gz FOTDMWBZWZJYHY-XMMPIXPASA-N 1 2 476.581 4.631 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498700 555423821 /nfs/dbraw/zinc/42/38/21/555423821.db2.gz JUKKNPPSECNPKE-DEOSSOPVSA-N 1 2 474.609 4.678 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498700 555423824 /nfs/dbraw/zinc/42/38/24/555423824.db2.gz JUKKNPPSECNPKE-DEOSSOPVSA-N 1 2 474.609 4.678 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498745 555424362 /nfs/dbraw/zinc/42/43/62/555424362.db2.gz OHDVJMLVBSFAKY-AREMUKBSSA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498745 555424363 /nfs/dbraw/zinc/42/43/63/555424363.db2.gz OHDVJMLVBSFAKY-AREMUKBSSA-N 1 2 498.587 4.564 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499089 555428099 /nfs/dbraw/zinc/42/80/99/555428099.db2.gz WCKDFWRILQQIJV-SANMLTNESA-N 1 2 497.603 4.567 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499089 555428102 /nfs/dbraw/zinc/42/81/02/555428102.db2.gz WCKDFWRILQQIJV-SANMLTNESA-N 1 2 497.603 4.567 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499121 555428464 /nfs/dbraw/zinc/42/84/64/555428464.db2.gz VSCYNKAUNIAKQA-UPVQGACJSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499121 555428465 /nfs/dbraw/zinc/42/84/65/555428465.db2.gz VSCYNKAUNIAKQA-UPVQGACJSA-N 1 2 480.657 4.655 40 0 JJABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500206 555437852 /nfs/dbraw/zinc/43/78/52/555437852.db2.gz PBOOZKPSTHLCHG-DEOSSOPVSA-N 1 2 458.610 4.978 40 0 JJABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500206 555437856 /nfs/dbraw/zinc/43/78/56/555437856.db2.gz PBOOZKPSTHLCHG-DEOSSOPVSA-N 1 2 458.610 4.978 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500405 555439668 /nfs/dbraw/zinc/43/96/68/555439668.db2.gz PAPSEXXRFVPVCW-ZCYQVOJMSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500405 555439672 /nfs/dbraw/zinc/43/96/72/555439672.db2.gz PAPSEXXRFVPVCW-ZCYQVOJMSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500393 555439836 /nfs/dbraw/zinc/43/98/36/555439836.db2.gz DWJGXHGQFSHGNA-ZCYQVOJMSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500393 555439839 /nfs/dbraw/zinc/43/98/39/555439839.db2.gz DWJGXHGQFSHGNA-ZCYQVOJMSA-N 1 2 478.641 4.707 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500950 555445609 /nfs/dbraw/zinc/44/56/09/555445609.db2.gz UQDJLHIVBPLQOL-JTHBVZDNSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500950 555445610 /nfs/dbraw/zinc/44/56/10/555445610.db2.gz UQDJLHIVBPLQOL-JTHBVZDNSA-N 1 2 492.649 4.607 40 0 JJABLO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000013564963 555500565 /nfs/dbraw/zinc/50/05/65/555500565.db2.gz YFCLSFQDJSNAGV-UHFFFAOYSA-N 1 2 478.593 4.885 40 0 JJABLO CCSc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)n1CC ZINC000013565142 555501286 /nfs/dbraw/zinc/50/12/86/555501286.db2.gz VIKBHTJAKCRCMP-CYBMUJFWSA-N 1 2 475.968 4.900 40 0 JJABLO CCSc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)n1CC ZINC000013565142 555501288 /nfs/dbraw/zinc/50/12/88/555501288.db2.gz VIKBHTJAKCRCMP-CYBMUJFWSA-N 1 2 475.968 4.900 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000013565780 555502800 /nfs/dbraw/zinc/50/28/00/555502800.db2.gz HCGRJZYJCWSWTF-UHFFFAOYSA-N 1 2 474.630 4.660 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000013565780 555502803 /nfs/dbraw/zinc/50/28/03/555502803.db2.gz HCGRJZYJCWSWTF-UHFFFAOYSA-N 1 2 474.630 4.660 40 0 JJABLO c1ccc(N2CC[NH+]([C@@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)cc1 ZINC000020098587 555633115 /nfs/dbraw/zinc/63/31/15/555633115.db2.gz UFZKACVMPZWCLV-AREMUKBSSA-N 1 2 453.594 4.638 40 0 JJABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C3CCCC3)c3ccc4ncccc4c3)CC2)c1 ZINC000020098441 555633249 /nfs/dbraw/zinc/63/32/49/555633249.db2.gz BMLIGWLMZLWKNG-MHZLTWQESA-N 1 2 467.621 4.865 40 0 JJABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675528 555933880 /nfs/dbraw/zinc/93/38/80/555933880.db2.gz MMJSNWXPECZLIP-FQEVSTJZSA-N 1 2 455.440 4.787 40 0 biogenic,in-vitro JJABLO COc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675920 555935376 /nfs/dbraw/zinc/93/53/76/555935376.db2.gz FCIHOCDOWPTOLG-QHCPKHFHSA-N 1 2 451.486 4.561 40 0 biogenic,in-vitro JJABLO COc1ccc(C(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675920 555935377 /nfs/dbraw/zinc/93/53/77/555935377.db2.gz FCIHOCDOWPTOLG-QHCPKHFHSA-N 1 2 451.486 4.561 40 0 biogenic,in-vitro JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1 ZINC000022567124 555936556 /nfs/dbraw/zinc/93/65/56/555936556.db2.gz WRTVZARHHQLWGF-UHFFFAOYSA-N 1 2 459.550 4.845 40 0 JJABLO Cc1cccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000019234883 556336794 /nfs/dbraw/zinc/33/67/94/556336794.db2.gz BWEBGLZTTUQTNS-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1cccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000019234883 556336796 /nfs/dbraw/zinc/33/67/96/556336796.db2.gz BWEBGLZTTUQTNS-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO CC(C)c1ccc(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c(C(C)C)c1 ZINC000019366192 556346262 /nfs/dbraw/zinc/34/62/62/556346262.db2.gz COLOGUIDTBCFOM-NSOVKSMOSA-N 1 2 464.650 4.890 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526637 556351553 /nfs/dbraw/zinc/35/15/53/556351553.db2.gz OUZAPADDEHYPNG-AREMUKBSSA-N 1 2 482.563 4.622 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526637 556351556 /nfs/dbraw/zinc/35/15/56/556351556.db2.gz OUZAPADDEHYPNG-AREMUKBSSA-N 1 2 482.563 4.622 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019568127 556354895 /nfs/dbraw/zinc/35/48/95/556354895.db2.gz ZUZHXHDHHBMKHF-AREMUKBSSA-N 1 2 468.605 4.784 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019568127 556354897 /nfs/dbraw/zinc/35/48/97/556354897.db2.gz ZUZHXHDHHBMKHF-AREMUKBSSA-N 1 2 468.605 4.784 40 0 JJABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccc(Cl)cc3Cl)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508669 556443554 /nfs/dbraw/zinc/44/35/54/556443554.db2.gz DVXIMOKPTQQOOK-ZWKOTPCHSA-N 1 2 475.850 4.917 40 0 JJABLO CC(C)(C)CC(=O)N[C@H]1C[C@@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C1(C)C ZINC000067890159 560050127 /nfs/dbraw/zinc/05/01/27/560050127.db2.gz PMJINRDAHITMIH-YKSBVNFPSA-N 1 2 452.643 4.506 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111848 560061116 /nfs/dbraw/zinc/06/11/16/560061116.db2.gz LMIUZLVDWGFXSP-UNMCSNQZSA-N 1 2 469.463 4.549 40 0 biogenic,in-vitro JJABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111848 560061117 /nfs/dbraw/zinc/06/11/17/560061117.db2.gz LMIUZLVDWGFXSP-UNMCSNQZSA-N 1 2 469.463 4.549 40 0 biogenic,in-vitro JJABLO Cc1cc(C)c2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000033937252 569638680 /nfs/dbraw/zinc/63/86/80/569638680.db2.gz BBTKXVPWIMYQCZ-RCZVLFRGSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000033937252 569638681 /nfs/dbraw/zinc/63/86/81/569638681.db2.gz BBTKXVPWIMYQCZ-RCZVLFRGSA-N 1 2 478.641 4.625 40 0 JJABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCN3C(=O)OCc3ccccc3)c[nH+]2)CC1 ZINC000072216398 569700567 /nfs/dbraw/zinc/70/05/67/569700567.db2.gz MZPMHQKYPJZEJG-JOCHJYFZSA-N 1 2 466.582 4.612 40 0 JJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2Cl)c1C ZINC000038755946 569807155 /nfs/dbraw/zinc/80/71/55/569807155.db2.gz JXLDRTCMPMSNPW-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918139 569863317 /nfs/dbraw/zinc/86/33/17/569863317.db2.gz HFUAUHBPXIPIFS-PUWKGJKWSA-N 1 2 457.655 4.789 40 0 JJABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000216479771 569879082 /nfs/dbraw/zinc/87/90/82/569879082.db2.gz NMEFHZWFSSKFAC-HHHXNRCGSA-N 1 2 468.582 4.577 40 0 JJABLO Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223159882 569901535 /nfs/dbraw/zinc/90/15/35/569901535.db2.gz NOTZMCBOMXCVGU-BJKOFHAPSA-N 1 2 483.037 4.608 40 0 JJABLO Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223202824 569903326 /nfs/dbraw/zinc/90/33/26/569903326.db2.gz CQHKMYZYHWEPAG-DQEYMECFSA-N 1 2 497.064 4.998 40 0 JJABLO Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1Cl ZINC000223204420 569903355 /nfs/dbraw/zinc/90/33/55/569903355.db2.gz PHPZOVLHXAOCGP-JWQCQUIFSA-N 1 2 497.064 4.998 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223469966 569912404 /nfs/dbraw/zinc/91/24/04/569912404.db2.gz FZOLCIBIXKTGOG-RPBOFIJWSA-N 1 2 454.603 4.506 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224023108 569930905 /nfs/dbraw/zinc/93/09/05/569930905.db2.gz BVMPRAIIXRRVMF-IZZNHLLZSA-N 1 2 483.597 4.844 40 0 JJABLO COc1cccc(OCc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2OC)c1 ZINC000224260582 569938474 /nfs/dbraw/zinc/93/84/74/569938474.db2.gz WWNYNLDEKNCZHF-JXMROGBWSA-N 1 2 472.585 4.754 40 0 JJABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000408671047 570007484 /nfs/dbraw/zinc/00/74/84/570007484.db2.gz SCOPZDAXUABYDY-UHFFFAOYSA-N 1 2 456.464 4.890 40 0 JJABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225780752 570021184 /nfs/dbraw/zinc/02/11/84/570021184.db2.gz LRVQZTNDNCTJCL-UHFFFAOYSA-N 1 2 450.966 4.681 40 0 JJABLO Cc1cccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000253500420 570101688 /nfs/dbraw/zinc/10/16/88/570101688.db2.gz LSHSIEAWUKBUFE-VWNXMTODSA-N 1 2 464.614 4.729 40 0 JJABLO Cc1cccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000253500420 570101689 /nfs/dbraw/zinc/10/16/89/570101689.db2.gz LSHSIEAWUKBUFE-VWNXMTODSA-N 1 2 464.614 4.729 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500409 570101707 /nfs/dbraw/zinc/10/17/07/570101707.db2.gz KNXIJXUBGUTMIC-RPBOFIJWSA-N 1 2 486.620 4.724 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500409 570101708 /nfs/dbraw/zinc/10/17/08/570101708.db2.gz KNXIJXUBGUTMIC-RPBOFIJWSA-N 1 2 486.620 4.724 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500413 570101797 /nfs/dbraw/zinc/10/17/97/570101797.db2.gz KPTINNIGSLQSFT-VWNXMTODSA-N 1 2 496.656 4.993 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500413 570101799 /nfs/dbraw/zinc/10/17/99/570101799.db2.gz KPTINNIGSLQSFT-VWNXMTODSA-N 1 2 496.656 4.993 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500504 570102021 /nfs/dbraw/zinc/10/20/21/570102021.db2.gz SAFDYMZCBYAMLE-AOYPEHQESA-N 1 2 486.620 4.814 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500504 570102022 /nfs/dbraw/zinc/10/20/22/570102022.db2.gz SAFDYMZCBYAMLE-AOYPEHQESA-N 1 2 486.620 4.814 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500527 570102212 /nfs/dbraw/zinc/10/22/12/570102212.db2.gz UTGPDNXZJGEGMO-FYYLOGMGSA-N 1 2 482.629 4.603 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500527 570102213 /nfs/dbraw/zinc/10/22/13/570102213.db2.gz UTGPDNXZJGEGMO-FYYLOGMGSA-N 1 2 482.629 4.603 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500559 570102233 /nfs/dbraw/zinc/10/22/33/570102233.db2.gz WQFNPHBXWVTAOO-OFNKIYASSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500559 570102234 /nfs/dbraw/zinc/10/22/34/570102234.db2.gz WQFNPHBXWVTAOO-OFNKIYASSA-N 1 2 466.630 4.821 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500616 570102381 /nfs/dbraw/zinc/10/23/81/570102381.db2.gz YSEXMAVBWHTXLN-ILBGXUMGSA-N 1 2 490.608 4.715 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500616 570102382 /nfs/dbraw/zinc/10/23/82/570102382.db2.gz YSEXMAVBWHTXLN-ILBGXUMGSA-N 1 2 490.608 4.715 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccc(F)cc2Cl)C1 ZINC000257201578 570108179 /nfs/dbraw/zinc/10/81/79/570108179.db2.gz AIFBPENYCLOBDF-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(F)cc2Cl)C1 ZINC000257201578 570108180 /nfs/dbraw/zinc/10/81/80/570108180.db2.gz AIFBPENYCLOBDF-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257217037 570113160 /nfs/dbraw/zinc/11/31/60/570113160.db2.gz CXEGFRFHRJPGDE-URXFXBBRSA-N 1 2 472.010 4.729 40 0 JJABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257217037 570113162 /nfs/dbraw/zinc/11/31/62/570113162.db2.gz CXEGFRFHRJPGDE-URXFXBBRSA-N 1 2 472.010 4.729 40 0 JJABLO Cc1nc(Nc2ccc(F)cn2)cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)n1 ZINC000257221157 570114427 /nfs/dbraw/zinc/11/44/27/570114427.db2.gz DNSZBLKGMJBOPX-AWEZNQCLSA-N 1 2 470.499 4.548 40 0 JJABLO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000257229336 570116873 /nfs/dbraw/zinc/11/68/73/570116873.db2.gz FXSAOZNTPAYNRW-DEOSSOPVSA-N 1 2 492.023 4.579 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4ccc5ncccc5c4)C3)c2)nc(C)[nH+]1 ZINC000257238188 570119622 /nfs/dbraw/zinc/11/96/22/570119622.db2.gz HJYBCAOHUNZXNP-QFIPXVFZSA-N 1 2 467.573 4.717 40 0 JJABLO Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3ccccc3Cn3cc[nH+]c3)CC2)n1 ZINC000257245287 570121605 /nfs/dbraw/zinc/12/16/05/570121605.db2.gz IOVNAFLOIPNVJP-UHFFFAOYSA-N 1 2 453.546 4.842 40 0 JJABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000257250655 570123290 /nfs/dbraw/zinc/12/32/90/570123290.db2.gz JNLGUEIYKAVRGR-HXUWFJFHSA-N 1 2 489.023 4.768 40 0 JJABLO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](c3ccc(OC(C)C)cc3)C2)cc1NCc1cccnc1 ZINC000257252306 570123868 /nfs/dbraw/zinc/12/38/68/570123868.db2.gz JUHQVPBSFYOZQI-AREMUKBSSA-N 1 2 474.605 4.618 40 0 JJABLO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccc(OC(C)C)cc3)C2)cc1NCc1cccnc1 ZINC000257252306 570123869 /nfs/dbraw/zinc/12/38/69/570123869.db2.gz JUHQVPBSFYOZQI-AREMUKBSSA-N 1 2 474.605 4.618 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257256637 570125307 /nfs/dbraw/zinc/12/53/07/570125307.db2.gz KMHVGANPWVTCAD-XTEPFMGCSA-N 1 2 493.579 4.882 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257256637 570125308 /nfs/dbraw/zinc/12/53/08/570125308.db2.gz KMHVGANPWVTCAD-XTEPFMGCSA-N 1 2 493.579 4.882 40 0 JJABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257271405 570129989 /nfs/dbraw/zinc/12/99/89/570129989.db2.gz MYEAGERIMPXYGY-SQHAQQRYSA-N 1 2 495.620 4.652 40 0 JJABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257271405 570129991 /nfs/dbraw/zinc/12/99/91/570129991.db2.gz MYEAGERIMPXYGY-SQHAQQRYSA-N 1 2 495.620 4.652 40 0 JJABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@]2(CN(c3ccc(Cl)cc3)C(=O)O2)CC1 ZINC000257289280 570135489 /nfs/dbraw/zinc/13/54/89/570135489.db2.gz PXWYYNHXONPWAW-VWLOTQADSA-N 1 2 464.953 4.607 40 0 JJABLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)nc1-c1ccccc1 ZINC000257299910 570138350 /nfs/dbraw/zinc/13/83/50/570138350.db2.gz RSDMMTFGOBUQCU-NVQXNPDNSA-N 1 2 463.603 4.507 40 0 JJABLO Cc1sc(NC(=O)C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)nc1-c1ccccc1 ZINC000257299910 570138352 /nfs/dbraw/zinc/13/83/52/570138352.db2.gz RSDMMTFGOBUQCU-NVQXNPDNSA-N 1 2 463.603 4.507 40 0 JJABLO CC(C)n1nccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000257317909 570143775 /nfs/dbraw/zinc/14/37/75/570143775.db2.gz VLRHZGQLIGEPSQ-NRFANRHFSA-N 1 2 482.032 4.806 40 0 JJABLO CC(C)n1nccc1NC(=O)C[N@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000257317909 570143776 /nfs/dbraw/zinc/14/37/76/570143776.db2.gz VLRHZGQLIGEPSQ-NRFANRHFSA-N 1 2 482.032 4.806 40 0 JJABLO COc1ccc(C(=O)N2CCC[C@@H](Cc3cccn4cc[nH+]c34)CC2)cc1OCc1ccccn1 ZINC000257324722 570145820 /nfs/dbraw/zinc/14/58/20/570145820.db2.gz WPVPDWUUYLFLOL-OAQYLSRUSA-N 1 2 470.573 4.802 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@H]1Oc1ccccc1 ZINC000257325687 570146040 /nfs/dbraw/zinc/14/60/40/570146040.db2.gz WTZZCLVBZRNFJL-RPLLCQBOSA-N 1 2 497.636 4.742 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@H]1Oc1ccccc1 ZINC000257325687 570146041 /nfs/dbraw/zinc/14/60/41/570146041.db2.gz WTZZCLVBZRNFJL-RPLLCQBOSA-N 1 2 497.636 4.742 40 0 JJABLO CC(C)NC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000257338797 570150140 /nfs/dbraw/zinc/15/01/40/570150140.db2.gz YZAFJJSPVLREEM-OAQYLSRUSA-N 1 2 466.582 4.639 40 0 JJABLO CC(C)NC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000257338797 570150142 /nfs/dbraw/zinc/15/01/42/570150142.db2.gz YZAFJJSPVLREEM-OAQYLSRUSA-N 1 2 466.582 4.639 40 0 JJABLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@H](OCc3ccccc3)[C@]3(CCCO3)C1)oc1ccccc12 ZINC000257341483 570150823 /nfs/dbraw/zinc/15/08/23/570150823.db2.gz ZKNOXTPQSXQWDR-YTMVLYRLSA-N 1 2 486.568 4.983 40 0 JJABLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@H](OCc3ccccc3)[C@]3(CCCO3)C1)oc1ccccc12 ZINC000257341483 570150825 /nfs/dbraw/zinc/15/08/25/570150825.db2.gz ZKNOXTPQSXQWDR-YTMVLYRLSA-N 1 2 486.568 4.983 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000409176381 570156977 /nfs/dbraw/zinc/15/69/77/570156977.db2.gz MAKZBIHAZOBECA-QFIPXVFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3Cl)cc2)N2NC=[NH+]C2=N1 ZINC000409176381 570156978 /nfs/dbraw/zinc/15/69/78/570156978.db2.gz MAKZBIHAZOBECA-QFIPXVFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000409180893 570159064 /nfs/dbraw/zinc/15/90/64/570159064.db2.gz UEFUOQWOAGDZQA-JOCHJYFZSA-N 1 2 470.932 4.935 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NC=[NH+]C2=N1 ZINC000409180893 570159066 /nfs/dbraw/zinc/15/90/66/570159066.db2.gz UEFUOQWOAGDZQA-JOCHJYFZSA-N 1 2 470.932 4.935 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c(C)c1 ZINC000261363968 570168244 /nfs/dbraw/zinc/16/82/44/570168244.db2.gz ITWJAIXEMJUPJP-XMMPIXPASA-O 1 2 465.599 4.649 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)cc1OC ZINC000261364256 570168434 /nfs/dbraw/zinc/16/84/34/570168434.db2.gz KGEDZQJLGGNUAM-RUZDIDTESA-O 1 2 495.625 4.740 40 0 JJABLO CCCCCOc1ccccc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364320 570168601 /nfs/dbraw/zinc/16/86/01/570168601.db2.gz KQHCRVYAOJRIPZ-XMMPIXPASA-O 1 2 465.599 4.731 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OCC)c1OC ZINC000261365857 570169240 /nfs/dbraw/zinc/16/92/40/570169240.db2.gz VUUPTDHJYAYCNF-VWLOTQADSA-O 1 2 495.625 4.740 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OCC)c1OC ZINC000261365856 570169282 /nfs/dbraw/zinc/16/92/82/570169282.db2.gz VUUPTDHJYAYCNF-RUZDIDTESA-O 1 2 495.625 4.740 40 0 JJABLO FC(F)(F)Oc1cccc(-c2cc(NCCc3ccccn3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000328968009 570179844 /nfs/dbraw/zinc/17/98/44/570179844.db2.gz CWWRVOCQTOSUNO-UHFFFAOYSA-N 1 2 457.500 4.680 40 0 JJABLO CCNc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328980868 570180455 /nfs/dbraw/zinc/18/04/55/570180455.db2.gz GQSCOJFTQJKUNZ-UHFFFAOYSA-N 1 2 467.289 4.692 40 0 JJABLO OCCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328983624 570180465 /nfs/dbraw/zinc/18/04/65/570180465.db2.gz HHONKKSVIXNBHG-UHFFFAOYSA-N 1 2 473.282 4.731 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328983584 570180569 /nfs/dbraw/zinc/18/05/69/570180569.db2.gz HHENIVMELUYRBP-NRFANRHFSA-N 1 2 460.500 5.126 40 0 JJABLO COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000329007671 570181337 /nfs/dbraw/zinc/18/13/37/570181337.db2.gz LMNJTVZDCPPCNY-OAQYLSRUSA-N 1 2 476.499 5.092 40 0 JJABLO COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000329007668 570181424 /nfs/dbraw/zinc/18/14/24/570181424.db2.gz LMNJTVZDCPPCNY-NRFANRHFSA-N 1 2 476.499 5.092 40 0 JJABLO COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCC2)n1 ZINC000329015856 570181815 /nfs/dbraw/zinc/18/18/15/570181815.db2.gz NCSNJFNFGTYZPE-UHFFFAOYSA-N 1 2 458.484 4.861 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329057290 570183265 /nfs/dbraw/zinc/18/32/65/570183265.db2.gz VXFGFKNUOBYUHU-INIZCTEOSA-N 1 2 459.310 5.308 40 0 JJABLO COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329059486 570183332 /nfs/dbraw/zinc/18/33/32/570183332.db2.gz WGTCTSZFMWDVIB-UHFFFAOYSA-N 1 2 458.484 4.861 40 0 JJABLO O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000001324326 194085363 /nfs/dbraw/zinc/08/53/63/194085363.db2.gz QTIPFYUMICPJQS-UHFFFAOYSA-N 1 2 477.561 4.577 40 0 JJABLO COc1ccc2nc(NC(=O)CSc3[nH+]cnc4c3cnn4-c3ccccc3Cl)sc2c1 ZINC000001346540 194099180 /nfs/dbraw/zinc/09/91/80/194099180.db2.gz GSKQWXCCHVTSDB-UHFFFAOYSA-N 1 2 482.978 4.818 40 0 JJABLO Cc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000001372994 194106989 /nfs/dbraw/zinc/10/69/89/194106989.db2.gz BUYXWXGGMMCYSB-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000001372994 194106992 /nfs/dbraw/zinc/10/69/92/194106992.db2.gz BUYXWXGGMMCYSB-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374351 194108701 /nfs/dbraw/zinc/10/87/01/194108701.db2.gz AFADQROEHZNFBD-HSZRJFAPSA-N 1 2 478.572 4.571 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374351 194108703 /nfs/dbraw/zinc/10/87/03/194108703.db2.gz AFADQROEHZNFBD-HSZRJFAPSA-N 1 2 478.572 4.571 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374478 194109060 /nfs/dbraw/zinc/10/90/60/194109060.db2.gz KUSLNVUVTLEAAP-XMMPIXPASA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374478 194109063 /nfs/dbraw/zinc/10/90/63/194109063.db2.gz KUSLNVUVTLEAAP-XMMPIXPASA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375348 194109861 /nfs/dbraw/zinc/10/98/61/194109861.db2.gz AAIQPCDRGYCBDB-SANMLTNESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375348 194109864 /nfs/dbraw/zinc/10/98/64/194109864.db2.gz AAIQPCDRGYCBDB-SANMLTNESA-N 1 2 482.588 4.926 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2ccc(C)cc2[nH]c1=O ZINC000057589611 195351527 /nfs/dbraw/zinc/35/15/27/195351527.db2.gz PGBULIONUIJGCB-AREMUKBSSA-N 1 2 482.563 4.622 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2ccc(C)cc2[nH]c1=O ZINC000057589611 195351529 /nfs/dbraw/zinc/35/15/29/195351529.db2.gz PGBULIONUIJGCB-AREMUKBSSA-N 1 2 482.563 4.622 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589652 195351560 /nfs/dbraw/zinc/35/15/60/195351560.db2.gz DRBCPDOCXQRIER-RUZDIDTESA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589652 195351562 /nfs/dbraw/zinc/35/15/62/195351562.db2.gz DRBCPDOCXQRIER-RUZDIDTESA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589748 195351706 /nfs/dbraw/zinc/35/17/06/195351706.db2.gz QKRCKSXCNUTZPE-VWLOTQADSA-N 1 2 456.594 4.858 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589748 195351709 /nfs/dbraw/zinc/35/17/09/195351709.db2.gz QKRCKSXCNUTZPE-VWLOTQADSA-N 1 2 456.594 4.858 40 0 JJABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccc(F)cc4)n3)cn2)cc1 ZINC000049155206 523747007 /nfs/dbraw/zinc/74/70/07/523747007.db2.gz JEOQRPWKSTWWDV-QFIPXVFZSA-N 1 2 473.508 4.869 40 0 biogenic,in-vitro JJABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccc(F)cc4)n3)cn2)cc1 ZINC000049155206 523747017 /nfs/dbraw/zinc/74/70/17/523747017.db2.gz JEOQRPWKSTWWDV-QFIPXVFZSA-N 1 2 473.508 4.869 40 0 biogenic,in-vitro JJABLO O=C(NCC[NH+]1CCN(C(=O)Nc2cccc3ccccc32)CC1)Nc1cccc2ccccc21 ZINC000016544957 526314242 /nfs/dbraw/zinc/31/42/42/526314242.db2.gz YCUGHZPRSLPGFC-UHFFFAOYSA-N 1 2 467.573 4.964 40 0 JJABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000000929204 553866877 /nfs/dbraw/zinc/86/68/77/553866877.db2.gz XVDXRQNAZGMOSS-UHFFFAOYSA-N 1 2 472.010 4.841 40 0 JJABLO COc1ccc2nc(NC(=O)CSc3[nH+]cnc4c3cnn4-c3ccc(C)c(C)c3)sc2c1 ZINC000001346457 553955439 /nfs/dbraw/zinc/95/54/39/553955439.db2.gz QMTNVRMQIUBWMK-UHFFFAOYSA-N 1 2 476.587 4.781 40 0 JJABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282670 554526031 /nfs/dbraw/zinc/52/60/31/554526031.db2.gz UYAYBYDLUPZJLS-HHHXNRCGSA-N 1 2 498.631 4.682 40 0 JJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006409032 554534679 /nfs/dbraw/zinc/53/46/79/554534679.db2.gz XSLXNDWZEXZOSS-HHHXNRCGSA-N 1 2 482.632 4.982 40 0 JJABLO Cc1cccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000013494292 555403838 /nfs/dbraw/zinc/40/38/38/555403838.db2.gz STSVWWOIFCJDDH-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO Cc1cccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000013494292 555403842 /nfs/dbraw/zinc/40/38/42/555403842.db2.gz STSVWWOIFCJDDH-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013494738 555405916 /nfs/dbraw/zinc/40/59/16/555405916.db2.gz IINGMSIYMIJREP-AREMUKBSSA-N 1 2 498.587 4.708 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013494738 555405921 /nfs/dbraw/zinc/40/59/21/555405921.db2.gz IINGMSIYMIJREP-AREMUKBSSA-N 1 2 498.587 4.708 40 0 JJABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498520 555421562 /nfs/dbraw/zinc/42/15/62/555421562.db2.gz KFVXNDSBXOYGSF-UKILVPOCSA-N 1 2 478.641 4.707 40 0 JJABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498520 555421564 /nfs/dbraw/zinc/42/15/64/555421564.db2.gz KFVXNDSBXOYGSF-UKILVPOCSA-N 1 2 478.641 4.707 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498672 555423415 /nfs/dbraw/zinc/42/34/15/555423415.db2.gz AEIIFEMKYFAWME-SANMLTNESA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498672 555423416 /nfs/dbraw/zinc/42/34/16/555423416.db2.gz AEIIFEMKYFAWME-SANMLTNESA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498756 555424201 /nfs/dbraw/zinc/42/42/01/555424201.db2.gz PWWVHEYXOOSVJU-SANMLTNESA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498756 555424205 /nfs/dbraw/zinc/42/42/05/555424205.db2.gz PWWVHEYXOOSVJU-SANMLTNESA-N 1 2 498.587 4.564 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498995 555426885 /nfs/dbraw/zinc/42/68/85/555426885.db2.gz XXJZAQSTKHWHBL-DEOSSOPVSA-N 1 2 473.625 4.681 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498995 555426889 /nfs/dbraw/zinc/42/68/89/555426889.db2.gz XXJZAQSTKHWHBL-DEOSSOPVSA-N 1 2 473.625 4.681 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499347 555430878 /nfs/dbraw/zinc/43/08/78/555430878.db2.gz KZMBAFZUHACYIS-UKILVPOCSA-N 1 2 494.640 4.551 40 0 JJABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499347 555430881 /nfs/dbraw/zinc/43/08/81/555430881.db2.gz KZMBAFZUHACYIS-UKILVPOCSA-N 1 2 494.640 4.551 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499449 555431263 /nfs/dbraw/zinc/43/12/63/555431263.db2.gz RSYHNGGXDMIRBQ-LADGPHEKSA-N 1 2 480.657 4.799 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499449 555431264 /nfs/dbraw/zinc/43/12/64/555431264.db2.gz RSYHNGGXDMIRBQ-LADGPHEKSA-N 1 2 480.657 4.799 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499462 555431784 /nfs/dbraw/zinc/43/17/84/555431784.db2.gz PXTTYGXMJMLZJK-ZCYQVOJMSA-N 1 2 478.641 4.769 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499462 555431786 /nfs/dbraw/zinc/43/17/86/555431786.db2.gz PXTTYGXMJMLZJK-ZCYQVOJMSA-N 1 2 478.641 4.769 40 0 JJABLO COc1ccc(C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500232 555438147 /nfs/dbraw/zinc/43/81/47/555438147.db2.gz ZHUICXLXEPATBA-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc(C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500232 555438149 /nfs/dbraw/zinc/43/81/49/555438149.db2.gz ZHUICXLXEPATBA-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500879 555444831 /nfs/dbraw/zinc/44/48/31/555444831.db2.gz ZXABNPZDTYUJKL-ZCYQVOJMSA-N 1 2 478.641 4.851 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500879 555444835 /nfs/dbraw/zinc/44/48/35/555444835.db2.gz ZXABNPZDTYUJKL-ZCYQVOJMSA-N 1 2 478.641 4.851 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080439 555629368 /nfs/dbraw/zinc/62/93/68/555629368.db2.gz RLPSLKFDEBSJPY-RUZDIDTESA-N 1 2 472.593 4.640 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080439 555629371 /nfs/dbraw/zinc/62/93/71/555629371.db2.gz RLPSLKFDEBSJPY-RUZDIDTESA-N 1 2 472.593 4.640 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080442 555629553 /nfs/dbraw/zinc/62/95/53/555629553.db2.gz RLPSLKFDEBSJPY-VWLOTQADSA-N 1 2 472.593 4.640 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080442 555629556 /nfs/dbraw/zinc/62/95/56/555629556.db2.gz RLPSLKFDEBSJPY-VWLOTQADSA-N 1 2 472.593 4.640 40 0 JJABLO CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@H](c2ccc(F)cc2)n2c3ccccc3[nH+]c2N1 ZINC000022579341 555939259 /nfs/dbraw/zinc/93/92/59/555939259.db2.gz UKQXEHGLXKOCAP-SANMLTNESA-N 1 2 467.548 4.813 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(F)c4)cc3n2)cc1 ZINC000022712833 555946558 /nfs/dbraw/zinc/94/65/58/555946558.db2.gz LGIQWQDJPBBOGY-UHFFFAOYSA-N 1 2 476.581 4.841 40 0 JJABLO CCSc1ccccc1C(=O)Nc1nc(=O)c2c3c(sc2[nH]1)C[N@@H+](Cc1ccccc1)CC3 ZINC000022713057 555946575 /nfs/dbraw/zinc/94/65/75/555946575.db2.gz UCRDEKRDHOXBPU-UHFFFAOYSA-N 1 2 476.627 4.907 40 0 JJABLO CCSc1ccccc1C(=O)Nc1nc(=O)c2c3c(sc2[nH]1)C[N@H+](Cc1ccccc1)CC3 ZINC000022713057 555946579 /nfs/dbraw/zinc/94/65/79/555946579.db2.gz UCRDEKRDHOXBPU-UHFFFAOYSA-N 1 2 476.627 4.907 40 0 JJABLO O=C(c1ccc(C2CCCCC2)cc1)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022861970 555962478 /nfs/dbraw/zinc/96/24/78/555962478.db2.gz QRVZEWYSECPOLM-IZLXSDGUSA-N 1 2 462.634 4.691 40 0 JJABLO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000022925054 555977454 /nfs/dbraw/zinc/97/74/54/555977454.db2.gz ZJBSGWWCDXYIKK-UHFFFAOYSA-N 1 2 473.642 4.614 40 0 JJABLO CCCCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023436161 556058243 /nfs/dbraw/zinc/05/82/43/556058243.db2.gz CJDZMXYDKUBRON-UHFFFAOYSA-N 1 2 464.631 4.961 40 0 JJABLO CC(C)c1ccc(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c(C(C)C)c1 ZINC000019366190 556345676 /nfs/dbraw/zinc/34/56/76/556345676.db2.gz COLOGUIDTBCFOM-IZLXSDGUSA-N 1 2 464.650 4.890 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522947 556350706 /nfs/dbraw/zinc/35/07/06/556350706.db2.gz VLGLUNYZXGHMPI-RUZDIDTESA-N 1 2 456.594 4.804 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522947 556350712 /nfs/dbraw/zinc/35/07/12/556350712.db2.gz VLGLUNYZXGHMPI-RUZDIDTESA-N 1 2 456.594 4.804 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522946 556350765 /nfs/dbraw/zinc/35/07/65/556350765.db2.gz VLGLUNYZXGHMPI-VWLOTQADSA-N 1 2 456.594 4.804 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522946 556350768 /nfs/dbraw/zinc/35/07/68/556350768.db2.gz VLGLUNYZXGHMPI-VWLOTQADSA-N 1 2 456.594 4.804 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522991 556351142 /nfs/dbraw/zinc/35/11/42/556351142.db2.gz QVXVVKYRUZWTNN-HHHXNRCGSA-N 1 2 478.600 4.737 40 0 JJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522991 556351145 /nfs/dbraw/zinc/35/11/45/556351145.db2.gz QVXVVKYRUZWTNN-HHHXNRCGSA-N 1 2 478.600 4.737 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526617 556351162 /nfs/dbraw/zinc/35/11/62/556351162.db2.gz ZUJBGIYJWJFYJS-RUZDIDTESA-N 1 2 472.593 4.640 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526617 556351164 /nfs/dbraw/zinc/35/11/64/556351164.db2.gz ZUJBGIYJWJFYJS-RUZDIDTESA-N 1 2 472.593 4.640 40 0 JJABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289090 560033308 /nfs/dbraw/zinc/03/33/08/560033308.db2.gz NTWVQBREUNLXRF-WMZOPIPTSA-N 1 2 461.484 4.925 40 0 biogenic,in-vitro JJABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289090 560033309 /nfs/dbraw/zinc/03/33/09/560033309.db2.gz NTWVQBREUNLXRF-WMZOPIPTSA-N 1 2 461.484 4.925 40 0 biogenic,in-vitro JJABLO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385078 569824342 /nfs/dbraw/zinc/82/43/42/569824342.db2.gz NIWGRESVAHTEOF-UHFFFAOYSA-N 1 2 489.023 4.835 40 0 JJABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000216481821 569879053 /nfs/dbraw/zinc/87/90/53/569879053.db2.gz DGKYECXLOAKALE-NDEPHWFRSA-N 1 2 482.609 4.619 40 0 JJABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C1CCCCC1 ZINC000223180441 569902305 /nfs/dbraw/zinc/90/23/05/569902305.db2.gz UWAIKRSFVDMPNU-CLJLJLNGSA-N 1 2 481.710 4.700 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223506459 569913874 /nfs/dbraw/zinc/91/38/74/569913874.db2.gz WUCXAUWVEMUQFQ-LOSJGSFVSA-N 1 2 454.603 4.506 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223506518 569913892 /nfs/dbraw/zinc/91/38/92/569913892.db2.gz WUCXAUWVEMUQFQ-DQEYMECFSA-N 1 2 454.603 4.506 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1Cl ZINC000224138287 569934238 /nfs/dbraw/zinc/93/42/38/569934238.db2.gz MNGQUEWGPYLICL-UHFFFAOYSA-N 1 2 494.975 4.614 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 ZINC000224611589 569950696 /nfs/dbraw/zinc/95/06/96/569950696.db2.gz ZBYJQPCSAKANOX-DQEYMECFSA-N 1 2 455.587 4.821 40 0 JJABLO O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408629408 569981599 /nfs/dbraw/zinc/98/15/99/569981599.db2.gz AQKNTHDIUHHIAI-JXMROGBWSA-N 1 2 496.032 4.612 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)cc1 ZINC000225510761 570001082 /nfs/dbraw/zinc/00/10/82/570001082.db2.gz JNPMWCACZOMYNR-RRPNLBNLSA-N 1 2 496.640 4.550 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000408704061 570023696 /nfs/dbraw/zinc/02/36/96/570023696.db2.gz JGIMSBLNWLTDAV-RUZDIDTESA-N 1 2 485.519 4.585 40 0 JJABLO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225907045 570027033 /nfs/dbraw/zinc/02/70/33/570027033.db2.gz FFXCHIHBJZLTDQ-SFHVURJKSA-N 1 2 490.460 4.899 40 0 JJABLO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225907045 570027035 /nfs/dbraw/zinc/02/70/35/570027035.db2.gz FFXCHIHBJZLTDQ-SFHVURJKSA-N 1 2 490.460 4.899 40 0 JJABLO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225910082 570027253 /nfs/dbraw/zinc/02/72/53/570027253.db2.gz FMWYIUJSLRGDKA-KRWDZBQOSA-N 1 2 490.460 4.899 40 0 JJABLO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225910082 570027254 /nfs/dbraw/zinc/02/72/54/570027254.db2.gz FMWYIUJSLRGDKA-KRWDZBQOSA-N 1 2 490.460 4.899 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408961332 570086033 /nfs/dbraw/zinc/08/60/33/570086033.db2.gz RPZMJBCSBFCSKG-BKUYFWCQSA-N 1 2 455.345 4.943 40 0 JJABLO S=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408980098 570090669 /nfs/dbraw/zinc/09/06/69/570090669.db2.gz USOMEXOIHLOXAW-UHFFFAOYSA-N 1 2 480.601 4.534 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500401 570101678 /nfs/dbraw/zinc/10/16/78/570101678.db2.gz JYRPQUGRSSHXSG-YADHBBJMSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500401 570101679 /nfs/dbraw/zinc/10/16/79/570101679.db2.gz JYRPQUGRSSHXSG-YADHBBJMSA-N 1 2 466.630 4.821 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500465 570102054 /nfs/dbraw/zinc/10/20/54/570102054.db2.gz PIMGMCYLNCYMHH-ISKFKSNPSA-N 1 2 464.614 4.873 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500465 570102055 /nfs/dbraw/zinc/10/20/55/570102055.db2.gz PIMGMCYLNCYMHH-ISKFKSNPSA-N 1 2 464.614 4.873 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500451 570102069 /nfs/dbraw/zinc/10/20/69/570102069.db2.gz OSHLAGXWYLTDRF-IRLDBZIGSA-N 1 2 452.603 4.513 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500451 570102070 /nfs/dbraw/zinc/10/20/70/570102070.db2.gz OSHLAGXWYLTDRF-IRLDBZIGSA-N 1 2 452.603 4.513 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500540 570102251 /nfs/dbraw/zinc/10/22/51/570102251.db2.gz VONMSZNKGWFJED-AOYPEHQESA-N 1 2 486.620 4.814 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500540 570102252 /nfs/dbraw/zinc/10/22/52/570102252.db2.gz VONMSZNKGWFJED-AOYPEHQESA-N 1 2 486.620 4.814 40 0 JJABLO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000257203106 570108820 /nfs/dbraw/zinc/10/88/20/570108820.db2.gz AOSHVPZBRLFVLZ-JOCHJYFZSA-N 1 2 458.953 4.601 40 0 JJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1Oc1ccc(F)cc1 ZINC000257211592 570111575 /nfs/dbraw/zinc/11/15/75/570111575.db2.gz BZLYZXOORJAGSZ-JTHBVZDNSA-N 1 2 468.491 4.714 40 0 JJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1Oc1ccc(F)cc1 ZINC000257211592 570111576 /nfs/dbraw/zinc/11/15/76/570111576.db2.gz BZLYZXOORJAGSZ-JTHBVZDNSA-N 1 2 468.491 4.714 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2ccccc2F)C1 ZINC000257212378 570111686 /nfs/dbraw/zinc/11/16/86/570111686.db2.gz CDDDXOJMTBDXFR-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2ccccc2F)C1 ZINC000257212378 570111687 /nfs/dbraw/zinc/11/16/87/570111687.db2.gz CDDDXOJMTBDXFR-JWQCQUIFSA-N 1 2 468.956 4.863 40 0 JJABLO CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)[C@H]3C[C@@H]21 ZINC000257213226 570112044 /nfs/dbraw/zinc/11/20/44/570112044.db2.gz CGRBDXSJULFIAS-JAYJDBRPSA-N 1 2 473.573 4.559 40 0 JJABLO Cc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000257240934 570120492 /nfs/dbraw/zinc/12/04/92/570120492.db2.gz HVUDJHMACYWRFC-UHFFFAOYSA-N 1 2 453.546 4.842 40 0 JJABLO CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257258119 570125653 /nfs/dbraw/zinc/12/56/53/570125653.db2.gz KSLSSHAXPGEJBB-FCEKVYKBSA-N 1 2 470.617 4.548 40 0 JJABLO Cc1cc(Nc2cccc(C3CCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)CC3)n2)n[nH]1 ZINC000257268504 570129141 /nfs/dbraw/zinc/12/91/41/570129141.db2.gz MLYSFIAJBGJWGT-UHFFFAOYSA-N 1 2 471.609 4.811 40 0 JJABLO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257271403 570130081 /nfs/dbraw/zinc/13/00/81/570130081.db2.gz MYEAGERIMPXYGY-RPLLCQBOSA-N 1 2 495.620 4.652 40 0 JJABLO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257271403 570130083 /nfs/dbraw/zinc/13/00/83/570130083.db2.gz MYEAGERIMPXYGY-RPLLCQBOSA-N 1 2 495.620 4.652 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5cnccc54)C3)c2)nc(C)[nH+]1 ZINC000257275226 570131166 /nfs/dbraw/zinc/13/11/66/570131166.db2.gz NOKYEWRMUFAPIX-NRFANRHFSA-N 1 2 467.573 4.717 40 0 JJABLO Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccc(-c4ccc(N)[nH+]c4)nc3)C2)n1 ZINC000257281907 570133312 /nfs/dbraw/zinc/13/33/12/570133312.db2.gz ORKKRLMPYSZIGY-NRFANRHFSA-N 1 2 466.545 4.636 40 0 JJABLO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000257325862 570146250 /nfs/dbraw/zinc/14/62/50/570146250.db2.gz WUTNBFZPCMGYHY-XMMPIXPASA-N 1 2 470.552 4.571 40 0 JJABLO COCCNc1nc(C2CC[NH+](CC(=O)Nc3cc(C)ccc3F)CC2)cc2ccccc21 ZINC000257337382 570149732 /nfs/dbraw/zinc/14/97/32/570149732.db2.gz YSOQGSWFWOHZBN-UHFFFAOYSA-N 1 2 450.558 4.559 40 0 JJABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC3(C[C@@H](Cc4cccc(F)c4)N(CC(C)C)C3=O)CC2)cc1 ZINC000257339552 570150292 /nfs/dbraw/zinc/15/02/92/570150292.db2.gz ZCFOULSLBCGAKR-AREMUKBSSA-N 1 2 493.623 4.549 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccccc3Cl)c2)N2NC=NC2=[NH+]1 ZINC000409175942 570156837 /nfs/dbraw/zinc/15/68/37/570156837.db2.gz FHMLHTLKITZSKP-QFIPXVFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccccc3Cl)c2)N2NC=[NH+]C2=N1 ZINC000409175942 570156838 /nfs/dbraw/zinc/15/68/38/570156838.db2.gz FHMLHTLKITZSKP-QFIPXVFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3F)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409180382 570158870 /nfs/dbraw/zinc/15/88/70/570158870.db2.gz WTCQUSHCSNWFMR-DEOSSOPVSA-N 1 2 480.540 4.680 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3F)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409180382 570158871 /nfs/dbraw/zinc/15/88/71/570158871.db2.gz WTCQUSHCSNWFMR-DEOSSOPVSA-N 1 2 480.540 4.680 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(O)ccc1Br ZINC000261362529 570167689 /nfs/dbraw/zinc/16/76/89/570167689.db2.gz KENVCMIBIAZRBK-LJQANCHMSA-O 1 2 474.404 4.860 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Cl)c(O)c(OCC)c1 ZINC000261363870 570168195 /nfs/dbraw/zinc/16/81/95/570168195.db2.gz XXFQXRSCNZIAEI-HXUWFJFHSA-O 1 2 459.979 4.759 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1OCC ZINC000261364100 570168362 /nfs/dbraw/zinc/16/83/62/570168362.db2.gz JGDHQYYHFNLBHT-DEOSSOPVSA-O 1 2 465.599 4.731 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(SC)cc1 ZINC000261364111 570168424 /nfs/dbraw/zinc/16/84/24/570168424.db2.gz JILNWVGNSRQEOW-QFIPXVFZSA-O 1 2 453.613 4.664 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCC)cc1 ZINC000261364236 570168448 /nfs/dbraw/zinc/16/84/48/570168448.db2.gz KCOLGLDYBQWZDY-DEOSSOPVSA-O 1 2 465.599 4.731 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000261365261 570168833 /nfs/dbraw/zinc/16/88/33/570168833.db2.gz QZLPNXHXHOWPMD-SANMLTNESA-O 1 2 485.589 4.741 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000261365031 570168966 /nfs/dbraw/zinc/16/89/66/570168966.db2.gz PNIXUJKWKLVQLD-RUZDIDTESA-O 1 2 471.562 4.954 40 0 JJABLO O=c1[nH]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@@H]2c1cccc(O)c1Cl ZINC000261365729 570169247 /nfs/dbraw/zinc/16/92/47/570169247.db2.gz UXONMKKSJNQGHY-NRFANRHFSA-O 1 2 467.933 4.900 40 0 JJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2C(C)=Cc1ccccc1 ZINC000261366343 570169597 /nfs/dbraw/zinc/16/95/97/570169597.db2.gz YZJSWCCZYQFPLX-XSEIIIHRSA-O 1 2 498.426 4.980 40 0 JJABLO C[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328966306 570179718 /nfs/dbraw/zinc/17/97/18/570179718.db2.gz CLCJHPMLNJNGDY-LBPRGKRZSA-N 1 2 456.390 4.561 40 0 JJABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3Br)nc(NC3CC3)[nH+]2)c1 ZINC000328970738 570179936 /nfs/dbraw/zinc/17/99/36/570179936.db2.gz DLWHQJSDGLIQTE-UHFFFAOYSA-N 1 2 479.300 4.835 40 0 JJABLO CCNc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328984488 570180489 /nfs/dbraw/zinc/18/04/89/570180489.db2.gz HNDYJXOXTBNBCI-UHFFFAOYSA-N 1 2 467.289 4.692 40 0 JJABLO CC[C@@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329058970 570183259 /nfs/dbraw/zinc/18/32/59/570183259.db2.gz WEDZJGIEIHGRFM-CYBMUJFWSA-N 1 2 452.427 4.987 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329057292 570183312 /nfs/dbraw/zinc/18/33/12/570183312.db2.gz VXFGFKNUOBYUHU-MRXNPFEDSA-N 1 2 459.310 5.308 40 0 JJABLO Cc1ccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)cc1 ZINC000000924632 193976093 /nfs/dbraw/zinc/97/60/93/193976093.db2.gz IFXPMYIEUCAIHE-UHFFFAOYSA-N 1 2 468.586 4.968 40 0 JJABLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001337120 194095455 /nfs/dbraw/zinc/09/54/55/194095455.db2.gz DGZCJGRGMOKUMO-UHFFFAOYSA-N 1 2 452.599 4.835 40 0 JJABLO CCOc1ccc(OCC)c(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000001346689 194099019 /nfs/dbraw/zinc/09/90/19/194099019.db2.gz KLQFBEAYEYFZRB-UHFFFAOYSA-N 1 2 483.981 4.997 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001372989 194106975 /nfs/dbraw/zinc/10/69/75/194106975.db2.gz XTSLIZBVYXFBLJ-UHFFFAOYSA-N 1 2 496.590 4.509 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001372989 194106978 /nfs/dbraw/zinc/10/69/78/194106978.db2.gz XTSLIZBVYXFBLJ-UHFFFAOYSA-N 1 2 496.590 4.509 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374661 194109016 /nfs/dbraw/zinc/10/90/16/194109016.db2.gz FSIMPYCBQFJNLV-HHHXNRCGSA-N 1 2 494.599 4.725 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374661 194109018 /nfs/dbraw/zinc/10/90/18/194109018.db2.gz FSIMPYCBQFJNLV-HHHXNRCGSA-N 1 2 494.599 4.725 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374713 194109239 /nfs/dbraw/zinc/10/92/39/194109239.db2.gz RLKVPACHXNJULL-SANMLTNESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374713 194109240 /nfs/dbraw/zinc/10/92/40/194109240.db2.gz RLKVPACHXNJULL-SANMLTNESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375144 194109359 /nfs/dbraw/zinc/10/93/59/194109359.db2.gz HXZYDNPBKDBGCP-AREMUKBSSA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375144 194109362 /nfs/dbraw/zinc/10/93/62/194109362.db2.gz HXZYDNPBKDBGCP-AREMUKBSSA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375166 194109394 /nfs/dbraw/zinc/10/93/94/194109394.db2.gz XTTIKSCLAINOGN-DEOSSOPVSA-N 1 2 488.617 4.988 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375166 194109397 /nfs/dbraw/zinc/10/93/97/194109397.db2.gz XTTIKSCLAINOGN-DEOSSOPVSA-N 1 2 488.617 4.988 40 0 JJABLO Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000001380739 194113111 /nfs/dbraw/zinc/11/31/11/194113111.db2.gz DDXFCKFBGUHFOP-UHFFFAOYSA-N 1 2 451.880 4.688 40 0 JJABLO COc1ccc(CCNc2[nH+]cnc3c2cnn3Cc2ccc(Cl)cc2Cl)cc1OC ZINC000001512377 194126864 /nfs/dbraw/zinc/12/68/64/194126864.db2.gz SQAMCQYRWOEATB-UHFFFAOYSA-N 1 2 458.349 4.853 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2ccc(C)cc2[nH]c1=O ZINC000057589596 195351450 /nfs/dbraw/zinc/35/14/50/195351450.db2.gz PKYFZTQALLOIJB-VWLOTQADSA-N 1 2 456.594 4.940 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2ccc(C)cc2[nH]c1=O ZINC000057589596 195351453 /nfs/dbraw/zinc/35/14/53/195351453.db2.gz PKYFZTQALLOIJB-VWLOTQADSA-N 1 2 456.594 4.940 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589644 195351459 /nfs/dbraw/zinc/35/14/59/195351459.db2.gz DQDKRMRCEKOYNW-HHHXNRCGSA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589644 195351462 /nfs/dbraw/zinc/35/14/62/195351462.db2.gz DQDKRMRCEKOYNW-HHHXNRCGSA-N 1 2 478.600 4.791 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057589618 195351546 /nfs/dbraw/zinc/35/15/46/195351546.db2.gz FDKQGLHPSBNMGT-VWLOTQADSA-N 1 2 486.595 4.986 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057589618 195351548 /nfs/dbraw/zinc/35/15/48/195351548.db2.gz FDKQGLHPSBNMGT-VWLOTQADSA-N 1 2 486.595 4.986 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057589852 195351697 /nfs/dbraw/zinc/35/16/97/195351697.db2.gz SRODMAHRANQKGI-HHHXNRCGSA-N 1 2 496.590 4.930 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057589852 195351700 /nfs/dbraw/zinc/35/17/00/195351700.db2.gz SRODMAHRANQKGI-HHHXNRCGSA-N 1 2 496.590 4.930 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641480 195355480 /nfs/dbraw/zinc/35/54/80/195355480.db2.gz PGUFOLGINAZJMZ-ZCYQVOJMSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641480 195355481 /nfs/dbraw/zinc/35/54/81/195355481.db2.gz PGUFOLGINAZJMZ-ZCYQVOJMSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642247 195356511 /nfs/dbraw/zinc/35/65/11/195356511.db2.gz FKJCIOXKIQCYKH-LADGPHEKSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642247 195356513 /nfs/dbraw/zinc/35/65/13/195356513.db2.gz FKJCIOXKIQCYKH-LADGPHEKSA-N 1 2 478.641 4.769 40 0 JJABLO CC(C)c1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020460451 519836689 /nfs/dbraw/zinc/83/66/89/519836689.db2.gz AGOLAFBRLVPIBL-UHFFFAOYSA-N 1 2 488.613 4.507 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499001 524349790 /nfs/dbraw/zinc/34/97/90/524349790.db2.gz LQWYOVGGGXHAEW-QHCPKHFHSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499001 524349805 /nfs/dbraw/zinc/34/98/05/524349805.db2.gz LQWYOVGGGXHAEW-QHCPKHFHSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000038771224 525272940 /nfs/dbraw/zinc/27/29/40/525272940.db2.gz LIQBOBGJKTUMDR-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2Cl)c(C)c1 ZINC000044844195 525295539 /nfs/dbraw/zinc/29/55/39/525295539.db2.gz YHAAHBKEUVZYRW-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2C)c(C)c1 ZINC000020494948 525297163 /nfs/dbraw/zinc/29/71/63/525297163.db2.gz SAAYSNCYBMWSPL-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2Cl)cc1 ZINC000044904600 525601394 /nfs/dbraw/zinc/60/13/94/525601394.db2.gz CKBWDTRRRUDSJA-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927310 553864204 /nfs/dbraw/zinc/86/42/04/553864204.db2.gz CZFVYFLAVJPBSG-UHFFFAOYSA-N 1 2 458.610 4.521 40 0 JJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927310 553864206 /nfs/dbraw/zinc/86/42/06/553864206.db2.gz CZFVYFLAVJPBSG-UHFFFAOYSA-N 1 2 458.610 4.521 40 0 JJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006408593 554534541 /nfs/dbraw/zinc/53/45/41/554534541.db2.gz XSLXNDWZEXZOSS-MHZLTWQESA-N 1 2 482.632 4.982 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494768 555406368 /nfs/dbraw/zinc/40/63/68/555406368.db2.gz IVBBTAYZGLWCIP-RUZDIDTESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494768 555406371 /nfs/dbraw/zinc/40/63/71/555406371.db2.gz IVBBTAYZGLWCIP-RUZDIDTESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495494 555408193 /nfs/dbraw/zinc/40/81/93/555408193.db2.gz XXQLJADZXNWFNE-BJKOFHAPSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495494 555408194 /nfs/dbraw/zinc/40/81/94/555408194.db2.gz XXQLJADZXNWFNE-BJKOFHAPSA-N 1 2 478.641 4.769 40 0 JJABLO COc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498487 555421214 /nfs/dbraw/zinc/42/12/14/555421214.db2.gz RBWFZDDOFWTDLX-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498487 555421215 /nfs/dbraw/zinc/42/12/15/555421215.db2.gz RBWFZDDOFWTDLX-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498664 555423348 /nfs/dbraw/zinc/42/33/48/555423348.db2.gz FIUTWZHBENUQSU-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498664 555423349 /nfs/dbraw/zinc/42/33/49/555423349.db2.gz FIUTWZHBENUQSU-RUZDIDTESA-N 1 2 488.636 4.986 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498744 555424324 /nfs/dbraw/zinc/42/43/24/555424324.db2.gz OHDVJMLVBSFAKY-SANMLTNESA-N 1 2 498.587 4.564 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498744 555424330 /nfs/dbraw/zinc/42/43/30/555424330.db2.gz OHDVJMLVBSFAKY-SANMLTNESA-N 1 2 498.587 4.564 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013498859 555425539 /nfs/dbraw/zinc/42/55/39/555425539.db2.gz CRFBTRPWWUJKPV-UPVQGACJSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013498859 555425541 /nfs/dbraw/zinc/42/55/41/555425541.db2.gz CRFBTRPWWUJKPV-UPVQGACJSA-N 1 2 480.657 4.655 40 0 JJABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498963 555426808 /nfs/dbraw/zinc/42/68/08/555426808.db2.gz KTHVVHRROQYZCZ-VWLOTQADSA-N 1 2 486.576 4.765 40 0 JJABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498963 555426813 /nfs/dbraw/zinc/42/68/13/555426813.db2.gz KTHVVHRROQYZCZ-VWLOTQADSA-N 1 2 486.576 4.765 40 0 JJABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499129 555428454 /nfs/dbraw/zinc/42/84/54/555428454.db2.gz IEDKJRAHJOMPDJ-ZCYQVOJMSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499129 555428456 /nfs/dbraw/zinc/42/84/56/555428456.db2.gz IEDKJRAHJOMPDJ-ZCYQVOJMSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500404 555439824 /nfs/dbraw/zinc/43/98/24/555439824.db2.gz PAPSEXXRFVPVCW-UKILVPOCSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500404 555439825 /nfs/dbraw/zinc/43/98/25/555439825.db2.gz PAPSEXXRFVPVCW-UKILVPOCSA-N 1 2 478.641 4.625 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500402 555439865 /nfs/dbraw/zinc/43/98/65/555439865.db2.gz LBMKNRJQXLLTQD-LADGPHEKSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500402 555439868 /nfs/dbraw/zinc/43/98/68/555439868.db2.gz LBMKNRJQXLLTQD-LADGPHEKSA-N 1 2 480.657 4.655 40 0 JJABLO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000019912289 555538368 /nfs/dbraw/zinc/53/83/68/555538368.db2.gz CFBJYVZHHHPJHK-QRVBRYPASA-N 1 2 487.980 4.704 40 0 JJABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000019940789 555559117 /nfs/dbraw/zinc/55/91/17/555559117.db2.gz ITLPTHXKKIGZJS-SANMLTNESA-N 1 2 468.605 4.784 40 0 JJABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000019940789 555559119 /nfs/dbraw/zinc/55/91/19/555559119.db2.gz ITLPTHXKKIGZJS-SANMLTNESA-N 1 2 468.605 4.784 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)c(C)c1 ZINC000014272791 555770983 /nfs/dbraw/zinc/77/09/83/555770983.db2.gz ZBNPXTOCNRAYRW-UHFFFAOYSA-N 1 2 471.561 4.907 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)cc1 ZINC000014272779 555771009 /nfs/dbraw/zinc/77/10/09/555771009.db2.gz FJUDTHDYOQRBED-UHFFFAOYSA-N 1 2 459.550 4.845 40 0 JJABLO O=C(c1cccc(OCc2ccccc2Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022258527 555905951 /nfs/dbraw/zinc/90/59/51/555905951.db2.gz YYZODBJMHMKYCX-UHFFFAOYSA-N 1 2 464.949 4.606 40 0 JJABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000015707188 555953000 /nfs/dbraw/zinc/95/30/00/555953000.db2.gz GIQYYHYBMDOYSL-FQEVSTJZSA-N 1 2 492.923 4.621 40 0 biogenic,in-vitro JJABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000015707188 555953002 /nfs/dbraw/zinc/95/30/02/555953002.db2.gz GIQYYHYBMDOYSL-FQEVSTJZSA-N 1 2 492.923 4.621 40 0 biogenic,in-vitro JJABLO O=C(c1ccc(C2CCCCC2)cc1)[C@@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022861973 555962400 /nfs/dbraw/zinc/96/24/00/555962400.db2.gz QRVZEWYSECPOLM-WUFINQPMSA-N 1 2 462.634 4.691 40 0 JJABLO O=C(c1ccc(C2CCCCC2)cc1)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022861975 555962437 /nfs/dbraw/zinc/96/24/37/555962437.db2.gz QRVZEWYSECPOLM-VSGBNLITSA-N 1 2 462.634 4.691 40 0 JJABLO Cc1cccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000019234886 556336760 /nfs/dbraw/zinc/33/67/60/556336760.db2.gz WDQLNCLOVVBSBM-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO Cc1cccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000019234886 556336763 /nfs/dbraw/zinc/33/67/63/556336763.db2.gz WDQLNCLOVVBSBM-UHFFFAOYSA-N 1 2 496.590 4.564 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019499581 556349470 /nfs/dbraw/zinc/34/94/70/556349470.db2.gz HZNWRFQIIBEXRA-DEOSSOPVSA-N 1 2 474.609 4.670 40 0 JJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019499581 556349474 /nfs/dbraw/zinc/34/94/74/556349474.db2.gz HZNWRFQIIBEXRA-DEOSSOPVSA-N 1 2 474.609 4.670 40 0 JJABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000030756560 556373192 /nfs/dbraw/zinc/37/31/92/556373192.db2.gz JWRZCFNTJOEJRV-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO C[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514290001 560030736 /nfs/dbraw/zinc/03/07/36/560030736.db2.gz TWSKZSMOHFVDQA-OHSXHVKISA-N 1 2 473.598 4.900 40 0 biogenic,in-vitro JJABLO C[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514290001 560030737 /nfs/dbraw/zinc/03/07/37/560030737.db2.gz TWSKZSMOHFVDQA-OHSXHVKISA-N 1 2 473.598 4.900 40 0 biogenic,in-vitro JJABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCCN3C(=O)c3ccccc3)c[nH+]2)CC1 ZINC000072216438 569700491 /nfs/dbraw/zinc/70/04/91/569700491.db2.gz JRBBEMQQQGARKE-QFIPXVFZSA-N 1 2 450.583 4.506 40 0 JJABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000038754909 569806967 /nfs/dbraw/zinc/80/69/67/569806967.db2.gz QXLMGRNSAMMSJH-MUUNZHRXSA-N 1 2 482.609 4.619 40 0 JJABLO CCOc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000041091742 569837635 /nfs/dbraw/zinc/83/76/35/569837635.db2.gz CNTKJCPVOLCDEQ-UHFFFAOYSA-N 1 2 471.022 4.835 40 0 JJABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2C)c1 ZINC000216331736 569878359 /nfs/dbraw/zinc/87/83/59/569878359.db2.gz AFHAVJDMSAVGEB-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223159831 569901496 /nfs/dbraw/zinc/90/14/96/569901496.db2.gz NOTZMCBOMXCVGU-RPWUZVMVSA-N 1 2 483.037 4.608 40 0 JJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199862 569903201 /nfs/dbraw/zinc/90/32/01/569903201.db2.gz BQDMDBWEWUGITA-BJKOFHAPSA-N 1 2 483.037 4.690 40 0 JJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199925 569903208 /nfs/dbraw/zinc/90/32/08/569903208.db2.gz BQDMDBWEWUGITA-DNQXCXABSA-N 1 2 483.037 4.690 40 0 JJABLO Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223202768 569903334 /nfs/dbraw/zinc/90/33/34/569903334.db2.gz CQHKMYZYHWEPAG-LOSJGSFVSA-N 1 2 497.064 4.998 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223470001 569912373 /nfs/dbraw/zinc/91/23/73/569912373.db2.gz FZOLCIBIXKTGOG-LOSJGSFVSA-N 1 2 454.603 4.506 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867319 569925609 /nfs/dbraw/zinc/92/56/09/569925609.db2.gz ZBBWLDYWSLIWPV-JWQCQUIFSA-N 1 2 455.587 4.821 40 0 JJABLO COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000224912761 569963165 /nfs/dbraw/zinc/96/31/65/569963165.db2.gz IELKRIAOIGYCQR-UHFFFAOYSA-N 1 2 497.551 4.704 40 0 JJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2C)c1 ZINC000408621598 569978384 /nfs/dbraw/zinc/97/83/84/569978384.db2.gz LRWMYWGDBDIYCW-YRNVUSSQSA-N 1 2 489.641 4.575 40 0 JJABLO CCCCOc1ccc([C@H]2C(C(=O)Nc3cc(OC)c(Cl)cc3OC)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000408627668 569981276 /nfs/dbraw/zinc/98/12/76/569981276.db2.gz OMDXIOQUMHLVND-QHCPKHFHSA-N 1 2 497.983 4.708 40 0 JJABLO CSc1nc2sc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2c(N2CCCCC2)n1 ZINC000408636352 569986599 /nfs/dbraw/zinc/98/65/99/569986599.db2.gz OTKLTBNXWIUJJR-DHZHZOJOSA-N 1 2 493.702 4.875 40 0 JJABLO Cc1cc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)ccc1Br ZINC000408664309 570003040 /nfs/dbraw/zinc/00/30/40/570003040.db2.gz BOROQIQUDCMJQQ-UHFFFAOYSA-N 1 2 481.390 4.942 40 0 JJABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000408664574 570003337 /nfs/dbraw/zinc/00/33/37/570003337.db2.gz CJGQYEVXAZMNBK-UHFFFAOYSA-N 1 2 456.464 4.890 40 0 JJABLO Cc1cc(C)c2c(=O)ccn(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000225756852 570020309 /nfs/dbraw/zinc/02/03/09/570020309.db2.gz FFCNAMVQXWVPCB-UHFFFAOYSA-N 1 2 465.597 4.552 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000408704130 570023775 /nfs/dbraw/zinc/02/37/75/570023775.db2.gz JXKJZAUHBJRDRH-VWLOTQADSA-N 1 2 485.519 4.585 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000408704128 570023792 /nfs/dbraw/zinc/02/37/92/570023792.db2.gz JXKJZAUHBJRDRH-RUZDIDTESA-N 1 2 485.519 4.585 40 0 JJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000408704842 570024244 /nfs/dbraw/zinc/02/42/44/570024244.db2.gz UEXTYCDTWVHXLL-SANMLTNESA-N 1 2 481.556 4.755 40 0 JJABLO O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408980068 570090631 /nfs/dbraw/zinc/09/06/31/570090631.db2.gz UIKQFSGMSCXATR-UHFFFAOYSA-N 1 2 451.486 4.507 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500408 570101685 /nfs/dbraw/zinc/10/16/85/570101685.db2.gz KNXIJXUBGUTMIC-JWQCQUIFSA-N 1 2 486.620 4.724 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500408 570101686 /nfs/dbraw/zinc/10/16/86/570101686.db2.gz KNXIJXUBGUTMIC-JWQCQUIFSA-N 1 2 486.620 4.724 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000253500421 570101732 /nfs/dbraw/zinc/10/17/32/570101732.db2.gz MCJYPHNKYLTDCK-AOYPEHQESA-N 1 2 486.620 4.670 40 0 JJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000253500421 570101733 /nfs/dbraw/zinc/10/17/33/570101733.db2.gz MCJYPHNKYLTDCK-AOYPEHQESA-N 1 2 486.620 4.670 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500437 570101749 /nfs/dbraw/zinc/10/17/49/570101749.db2.gz ODNOZADXVRXTOZ-IRLDBZIGSA-N 1 2 452.603 4.513 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500437 570101751 /nfs/dbraw/zinc/10/17/51/570101751.db2.gz ODNOZADXVRXTOZ-IRLDBZIGSA-N 1 2 452.603 4.513 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500407 570101783 /nfs/dbraw/zinc/10/17/83/570101783.db2.gz KLUUJUPDBBDJRD-YADHBBJMSA-N 1 2 466.630 4.903 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500407 570101784 /nfs/dbraw/zinc/10/17/84/570101784.db2.gz KLUUJUPDBBDJRD-YADHBBJMSA-N 1 2 466.630 4.903 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500425 570101835 /nfs/dbraw/zinc/10/18/35/570101835.db2.gz MVXHRGOBUITNTJ-ZJSXRUAMSA-N 1 2 464.614 4.791 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500425 570101837 /nfs/dbraw/zinc/10/18/37/570101837.db2.gz MVXHRGOBUITNTJ-ZJSXRUAMSA-N 1 2 464.614 4.791 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500446 570101996 /nfs/dbraw/zinc/10/19/96/570101996.db2.gz OKAIJRAYQLFBIP-FYYLOGMGSA-N 1 2 466.630 4.903 40 0 JJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500446 570101998 /nfs/dbraw/zinc/10/19/98/570101998.db2.gz OKAIJRAYQLFBIP-FYYLOGMGSA-N 1 2 466.630 4.903 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500573 570102155 /nfs/dbraw/zinc/10/21/55/570102155.db2.gz XLDXGMDWWJWLPC-DHIUTWEWSA-N 1 2 464.614 4.791 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500573 570102156 /nfs/dbraw/zinc/10/21/56/570102156.db2.gz XLDXGMDWWJWLPC-DHIUTWEWSA-N 1 2 464.614 4.791 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500525 570102191 /nfs/dbraw/zinc/10/21/91/570102191.db2.gz UQILWCNJKAYUAU-ILBGXUMGSA-N 1 2 490.583 4.555 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500525 570102192 /nfs/dbraw/zinc/10/21/92/570102192.db2.gz UQILWCNJKAYUAU-ILBGXUMGSA-N 1 2 490.583 4.555 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500522 570102215 /nfs/dbraw/zinc/10/22/15/570102215.db2.gz UFTOEFQLKKNQSV-VWNXMTODSA-N 1 2 480.613 4.573 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500522 570102216 /nfs/dbraw/zinc/10/22/16/570102216.db2.gz UFTOEFQLKKNQSV-VWNXMTODSA-N 1 2 480.613 4.573 40 0 JJABLO Cc1nc(Nc2ccc(F)cn2)cc(C2CC[NH+]([C@H](C)C(=O)Nc3cc(F)ccc3F)CC2)n1 ZINC000257221158 570114433 /nfs/dbraw/zinc/11/44/33/570114433.db2.gz DNSZBLKGMJBOPX-CQSZACIVSA-N 1 2 470.499 4.548 40 0 JJABLO COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)C[N@H+](C)Cc3ccccc3F)o2)c1 ZINC000257233484 570117959 /nfs/dbraw/zinc/11/79/59/570117959.db2.gz GPMJREAJGVHIBB-XMMPIXPASA-N 1 2 451.542 4.599 40 0 JJABLO COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)C[N@@H+](C)Cc3ccccc3F)o2)c1 ZINC000257233484 570117961 /nfs/dbraw/zinc/11/79/61/570117961.db2.gz GPMJREAJGVHIBB-XMMPIXPASA-N 1 2 451.542 4.599 40 0 JJABLO Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccc(-c3ccc(N)[nH+]c3)nc2)C1 ZINC000257235297 570118738 /nfs/dbraw/zinc/11/87/38/570118738.db2.gz GXFRVJSPAZUUDP-NRFANRHFSA-N 1 2 466.545 4.636 40 0 JJABLO Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000257236288 570118998 /nfs/dbraw/zinc/11/89/98/570118998.db2.gz HBMUFDLCXUYTTA-HSZRJFAPSA-N 1 2 453.546 4.842 40 0 JJABLO CC(=O)N1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257245280 570121600 /nfs/dbraw/zinc/12/16/00/570121600.db2.gz IOUOXFDCGMPXEL-NDEPHWFRSA-N 1 2 459.590 4.853 40 0 JJABLO CC(=O)N1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257245280 570121602 /nfs/dbraw/zinc/12/16/02/570121602.db2.gz IOUOXFDCGMPXEL-NDEPHWFRSA-N 1 2 459.590 4.853 40 0 JJABLO CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000257246830 570122137 /nfs/dbraw/zinc/12/21/37/570122137.db2.gz IWADHKZGRSMYNQ-HHHXNRCGSA-N 1 2 484.644 4.653 40 0 JJABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257263980 570127573 /nfs/dbraw/zinc/12/75/73/570127573.db2.gz LSJAGJAHESRPCR-XMMPIXPASA-N 1 2 462.981 4.607 40 0 JJABLO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccccc1F ZINC000257272207 570130382 /nfs/dbraw/zinc/13/03/82/570130382.db2.gz NBLSMTRMDDHASG-FQEVSTJZSA-N 1 2 455.961 4.896 40 0 JJABLO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccccc1F ZINC000257272207 570130383 /nfs/dbraw/zinc/13/03/83/570130383.db2.gz NBLSMTRMDDHASG-FQEVSTJZSA-N 1 2 455.961 4.896 40 0 JJABLO CC(=O)N1CC[N@H+](Cc2ccccc2OCc2cccnc2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257290059 570135568 /nfs/dbraw/zinc/13/55/68/570135568.db2.gz QBKFYERHQXEISD-MHZLTWQESA-N 1 2 459.590 4.853 40 0 JJABLO CC(=O)N1CC[N@@H+](Cc2ccccc2OCc2cccnc2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257290059 570135570 /nfs/dbraw/zinc/13/55/70/570135570.db2.gz QBKFYERHQXEISD-MHZLTWQESA-N 1 2 459.590 4.853 40 0 JJABLO COc1ccc(Oc2nccnc2C2CCN(C(=O)c3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000257305967 570140140 /nfs/dbraw/zinc/14/01/40/570140140.db2.gz SSHFKVCJELKDSZ-UHFFFAOYSA-N 1 2 469.545 4.542 40 0 JJABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1 ZINC000257310326 570141534 /nfs/dbraw/zinc/14/15/34/570141534.db2.gz UEQLJHNGTNWTNQ-FQEVSTJZSA-N 1 2 459.525 4.567 40 0 JJABLO CCCn1c(=O)oc2cc(NC(=O)C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4[C@@H]3c3ccccc3Cl)ccc21 ZINC000257313251 570142465 /nfs/dbraw/zinc/14/24/65/570142465.db2.gz UROBBKOYJOZOMA-OICBGKIFSA-N 1 2 498.023 4.965 40 0 JJABLO CCCn1c(=O)oc2cc(NC(=O)C[N@H+]3CC[C@@]4(O)CCCC[C@H]4[C@@H]3c3ccccc3Cl)ccc21 ZINC000257313251 570142466 /nfs/dbraw/zinc/14/24/66/570142466.db2.gz UROBBKOYJOZOMA-OICBGKIFSA-N 1 2 498.023 4.965 40 0 JJABLO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@@H]3C[C@H]21 ZINC000257338135 570149816 /nfs/dbraw/zinc/14/98/16/570149816.db2.gz YWASOVQKHNLDCG-PFHLPCBSSA-N 1 2 457.574 4.711 40 0 JJABLO CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000257338796 570150183 /nfs/dbraw/zinc/15/01/83/570150183.db2.gz YZAFJJSPVLREEM-NRFANRHFSA-N 1 2 466.582 4.639 40 0 JJABLO CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000257338796 570150184 /nfs/dbraw/zinc/15/01/84/570150184.db2.gz YZAFJJSPVLREEM-NRFANRHFSA-N 1 2 466.582 4.639 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(F)cc3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409176537 570157081 /nfs/dbraw/zinc/15/70/81/570157081.db2.gz QJGCYRHPUMNUQQ-XMMPIXPASA-N 1 2 480.540 4.680 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(F)cc3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409176537 570157082 /nfs/dbraw/zinc/15/70/82/570157082.db2.gz QJGCYRHPUMNUQQ-XMMPIXPASA-N 1 2 480.540 4.680 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(C)cc3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409179372 570158311 /nfs/dbraw/zinc/15/83/11/570158311.db2.gz RMLAIDKBEZGNAR-RUZDIDTESA-N 1 2 476.577 4.849 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(C)cc3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409179372 570158312 /nfs/dbraw/zinc/15/83/12/570158312.db2.gz RMLAIDKBEZGNAR-RUZDIDTESA-N 1 2 476.577 4.849 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3Cl)c(OC)c2)N2NC=NC2=[NH+]1 ZINC000409180195 570158823 /nfs/dbraw/zinc/15/88/23/570158823.db2.gz PXRRJFOWFXJOSE-HSZRJFAPSA-N 1 2 482.968 4.804 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3Cl)c(OC)c2)N2NC=[NH+]C2=N1 ZINC000409180195 570158825 /nfs/dbraw/zinc/15/88/25/570158825.db2.gz PXRRJFOWFXJOSE-HSZRJFAPSA-N 1 2 482.968 4.804 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(C)C)cc1 ZINC000261364647 570168577 /nfs/dbraw/zinc/16/85/77/570168577.db2.gz MRFVROCALFFBOO-XMMPIXPASA-O 1 2 465.599 4.730 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC)c1OC ZINC000261364627 570168591 /nfs/dbraw/zinc/16/85/91/570168591.db2.gz MPHXRJJLSSQXLC-VWLOTQADSA-O 1 2 495.625 4.740 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000261364869 570168717 /nfs/dbraw/zinc/16/87/17/570168717.db2.gz OHQMXAUEWPQPBK-HSZRJFAPSA-O 1 2 479.969 4.994 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OCC)c(OCC)c1 ZINC000261365202 570168893 /nfs/dbraw/zinc/16/88/93/570168893.db2.gz QSHWDVJTFGVQQK-RUZDIDTESA-O 1 2 495.625 4.740 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Br)s1 ZINC000261365147 570168939 /nfs/dbraw/zinc/16/89/39/570168939.db2.gz QJFJALAYLBKKQP-LJQANCHMSA-O 1 2 492.444 4.766 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2cccc(Cl)c2)o1 ZINC000261365445 570169079 /nfs/dbraw/zinc/16/90/79/570169079.db2.gz SITAWWNOYGDTIX-JOCHJYFZSA-O 1 2 465.942 4.685 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)ccc1OC ZINC000261366055 570169397 /nfs/dbraw/zinc/16/93/97/570169397.db2.gz XDLCTFLBMJTHMB-QHCPKHFHSA-O 1 2 486.017 4.994 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329063978 570183387 /nfs/dbraw/zinc/18/33/87/570183387.db2.gz XGZWLKHCDKXMAU-HXUWFJFHSA-N 1 2 464.463 5.222 40 0 JJABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccc(Br)cc3)nc(NC3CC3)[nH+]2)c1 ZINC000329061714 570183417 /nfs/dbraw/zinc/18/34/17/570183417.db2.gz WSTISLJANWJGFV-UHFFFAOYSA-N 1 2 479.300 4.835 40 0 JJABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1Br ZINC000001346521 194099205 /nfs/dbraw/zinc/09/92/05/194099205.db2.gz UTDZCIBEWOLXOS-UHFFFAOYSA-N 1 2 474.771 4.962 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374395 194108583 /nfs/dbraw/zinc/10/85/83/194108583.db2.gz NHBUMGZZCWFATB-JOCHJYFZSA-N 1 2 480.638 4.883 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374395 194108586 /nfs/dbraw/zinc/10/85/86/194108586.db2.gz NHBUMGZZCWFATB-JOCHJYFZSA-N 1 2 480.638 4.883 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374303 194108661 /nfs/dbraw/zinc/10/86/61/194108661.db2.gz YNELZXIJAKFVMC-SANMLTNESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374303 194108663 /nfs/dbraw/zinc/10/86/63/194108663.db2.gz YNELZXIJAKFVMC-SANMLTNESA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374412 194108712 /nfs/dbraw/zinc/10/87/12/194108712.db2.gz VTFLIGUNCWGADI-HHHXNRCGSA-N 1 2 494.599 4.725 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374412 194108714 /nfs/dbraw/zinc/10/87/14/194108714.db2.gz VTFLIGUNCWGADI-HHHXNRCGSA-N 1 2 494.599 4.725 40 0 JJABLO CC1(C)CC(=O)c2c(nc(N3CCN(c4cccc[nH+]4)CC3)nc2Nc2ccc(Cl)cc2)C1 ZINC000009937685 195028412 /nfs/dbraw/zinc/02/84/12/195028412.db2.gz ZRUMQHMYISMVOQ-UHFFFAOYSA-N 1 2 462.985 4.750 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4OC)cc3n2)cc1 ZINC000020611024 195184763 /nfs/dbraw/zinc/18/47/63/195184763.db2.gz LHZZLLGTNFARGL-UHFFFAOYSA-N 1 2 459.550 4.845 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584904 195351054 /nfs/dbraw/zinc/35/10/54/195351054.db2.gz IGMTYIVMCPTTMK-MHZLTWQESA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584904 195351057 /nfs/dbraw/zinc/35/10/57/195351057.db2.gz IGMTYIVMCPTTMK-MHZLTWQESA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057584892 195351114 /nfs/dbraw/zinc/35/11/14/195351114.db2.gz IGMAZWSRLAIPCG-HHHXNRCGSA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057584892 195351117 /nfs/dbraw/zinc/35/11/17/195351117.db2.gz IGMAZWSRLAIPCG-HHHXNRCGSA-N 1 2 478.600 4.791 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589742 195351634 /nfs/dbraw/zinc/35/16/34/195351634.db2.gz ZFVZXYCLFHXMPB-XMMPIXPASA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589742 195351635 /nfs/dbraw/zinc/35/16/35/195351635.db2.gz ZFVZXYCLFHXMPB-XMMPIXPASA-N 1 2 458.610 4.888 40 0 JJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594606 195352216 /nfs/dbraw/zinc/35/22/16/195352216.db2.gz MRFUIANFZWEPGM-VWLOTQADSA-N 1 2 472.593 4.640 40 0 JJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594606 195352218 /nfs/dbraw/zinc/35/22/18/195352218.db2.gz MRFUIANFZWEPGM-VWLOTQADSA-N 1 2 472.593 4.640 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641105 195355240 /nfs/dbraw/zinc/35/52/40/195355240.db2.gz ULADWPSIRNKQFX-RUZDIDTESA-N 1 2 472.593 4.792 40 0 JJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641105 195355242 /nfs/dbraw/zinc/35/52/42/195355242.db2.gz ULADWPSIRNKQFX-RUZDIDTESA-N 1 2 472.593 4.792 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641485 195355628 /nfs/dbraw/zinc/35/56/28/195355628.db2.gz PGUFOLGINAZJMZ-UKILVPOCSA-N 1 2 478.641 4.769 40 0 JJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641485 195355631 /nfs/dbraw/zinc/35/56/31/195355631.db2.gz PGUFOLGINAZJMZ-UKILVPOCSA-N 1 2 478.641 4.769 40 0 JJABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2C)c1 ZINC000022518946 524437492 /nfs/dbraw/zinc/43/74/92/524437492.db2.gz DBXBAYAACHLQNH-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO CC[C@@H](c1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1Cc1ccccc1)[NH+](C)C ZINC000008965490 554840127 /nfs/dbraw/zinc/84/01/27/554840127.db2.gz NVCJVSXFEYRCGQ-JQVVWYNYSA-N 1 2 463.651 4.798 40 0 JJABLO Cc1cccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000013494291 555403919 /nfs/dbraw/zinc/40/39/19/555403919.db2.gz LBIOIATXFJUHMP-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO Cc1cccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000013494291 555403921 /nfs/dbraw/zinc/40/39/21/555403921.db2.gz LBIOIATXFJUHMP-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494441 555404580 /nfs/dbraw/zinc/40/45/80/555404580.db2.gz DCBMRPSMROBJNM-JOCHJYFZSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494441 555404582 /nfs/dbraw/zinc/40/45/82/555404582.db2.gz DCBMRPSMROBJNM-JOCHJYFZSA-N 1 2 462.573 4.871 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494805 555406535 /nfs/dbraw/zinc/40/65/35/555406535.db2.gz TXHYGRIWUUQFLD-SANMLTNESA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494805 555406536 /nfs/dbraw/zinc/40/65/36/555406536.db2.gz TXHYGRIWUUQFLD-SANMLTNESA-N 1 2 482.588 4.926 40 0 JJABLO COc1cc(C[N@H+](Cc2ccccc2)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc(OC)c1OC ZINC000013496047 555410800 /nfs/dbraw/zinc/41/08/00/555410800.db2.gz QNTTWSQZKFGSJF-HSZRJFAPSA-N 1 2 467.614 4.853 40 0 JJABLO COc1cc(C[N@@H+](Cc2ccccc2)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc(OC)c1OC ZINC000013496047 555410802 /nfs/dbraw/zinc/41/08/02/555410802.db2.gz QNTTWSQZKFGSJF-HSZRJFAPSA-N 1 2 467.614 4.853 40 0 JJABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498544 555422156 /nfs/dbraw/zinc/42/21/56/555422156.db2.gz SNUFXMBTWZVCTQ-AREMUKBSSA-N 1 2 482.588 4.864 40 0 JJABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498544 555422159 /nfs/dbraw/zinc/42/21/59/555422159.db2.gz SNUFXMBTWZVCTQ-AREMUKBSSA-N 1 2 482.588 4.864 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498724 555423907 /nfs/dbraw/zinc/42/39/07/555423907.db2.gz FOTDMWBZWZJYHY-DEOSSOPVSA-N 1 2 476.581 4.631 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498724 555423909 /nfs/dbraw/zinc/42/39/09/555423909.db2.gz FOTDMWBZWZJYHY-DEOSSOPVSA-N 1 2 476.581 4.631 40 0 JJABLO Cc1cc2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498838 555425053 /nfs/dbraw/zinc/42/50/53/555425053.db2.gz SUCJFJUXHGGEQM-XMMPIXPASA-N 1 2 473.625 4.681 40 0 JJABLO Cc1cc2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498838 555425057 /nfs/dbraw/zinc/42/50/57/555425057.db2.gz SUCJFJUXHGGEQM-XMMPIXPASA-N 1 2 473.625 4.681 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499023 555427121 /nfs/dbraw/zinc/42/71/21/555427121.db2.gz BBTKXVPWIMYQCZ-DHLKQENFSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499023 555427125 /nfs/dbraw/zinc/42/71/25/555427125.db2.gz BBTKXVPWIMYQCZ-DHLKQENFSA-N 1 2 478.641 4.625 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499010 555427141 /nfs/dbraw/zinc/42/71/41/555427141.db2.gz RIPXTVCAQJJNDV-XUZZJYLKSA-N 1 2 480.657 4.655 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499010 555427144 /nfs/dbraw/zinc/42/71/44/555427144.db2.gz RIPXTVCAQJJNDV-XUZZJYLKSA-N 1 2 480.657 4.655 40 0 JJABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504720 555464590 /nfs/dbraw/zinc/46/45/90/555464590.db2.gz VIYFKZJOVHCLJU-OAQYLSRUSA-N 1 2 462.495 4.543 40 0 JJABLO CCSc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)n1CC ZINC000013565141 555501182 /nfs/dbraw/zinc/50/11/82/555501182.db2.gz NFVJNJQRWPQVOA-ZDUSSCGKSA-N 1 2 475.968 4.900 40 0 JJABLO CCSc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)n1CC ZINC000013565141 555501185 /nfs/dbraw/zinc/50/11/85/555501185.db2.gz NFVJNJQRWPQVOA-ZDUSSCGKSA-N 1 2 475.968 4.900 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc12 ZINC000020109337 555645327 /nfs/dbraw/zinc/64/53/27/555645327.db2.gz BCJSHDYZRICGOL-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc12 ZINC000020109337 555645331 /nfs/dbraw/zinc/64/53/31/555645331.db2.gz BCJSHDYZRICGOL-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015675086 555933338 /nfs/dbraw/zinc/93/33/38/555933338.db2.gz SHAAWTZKPDDNHH-QAPCUYQASA-N 1 2 471.838 4.659 40 0 biogenic,in-vitro JJABLO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015675086 555933341 /nfs/dbraw/zinc/93/33/41/555933341.db2.gz SHAAWTZKPDDNHH-QAPCUYQASA-N 1 2 471.838 4.659 40 0 biogenic,in-vitro JJABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674177 555933380 /nfs/dbraw/zinc/93/33/80/555933380.db2.gz PJVIXRSUHYVIEG-WBVHZDCISA-N 1 2 473.373 4.962 40 0 biogenic,in-vitro JJABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674177 555933382 /nfs/dbraw/zinc/93/33/82/555933382.db2.gz PJVIXRSUHYVIEG-WBVHZDCISA-N 1 2 473.373 4.962 40 0 biogenic,in-vitro JJABLO O=C(NC1CCCCC1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675772 555934550 /nfs/dbraw/zinc/93/45/50/555934550.db2.gz UXAYNZGQYBFLMO-SFHVURJKSA-N 1 2 460.460 4.620 40 0 biogenic,in-vitro JJABLO O=C(NC1CCCCC1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675772 555934551 /nfs/dbraw/zinc/93/45/51/555934551.db2.gz UXAYNZGQYBFLMO-SFHVURJKSA-N 1 2 460.460 4.620 40 0 biogenic,in-vitro JJABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015675843 555934974 /nfs/dbraw/zinc/93/49/74/555934974.db2.gz YFEMQYNFZSRABB-IBGZPJMESA-N 1 2 484.438 4.998 40 0 biogenic,in-vitro JJABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015675843 555934977 /nfs/dbraw/zinc/93/49/77/555934977.db2.gz YFEMQYNFZSRABB-IBGZPJMESA-N 1 2 484.438 4.998 40 0 biogenic,in-vitro JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)cc4)cc3n2)cc1 ZINC000022746728 555951425 /nfs/dbraw/zinc/95/14/25/555951425.db2.gz BAEJKEHRZNTGHK-UHFFFAOYSA-N 1 2 488.617 4.711 40 0 JJABLO COC(=O)Cc1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022755094 555953736 /nfs/dbraw/zinc/95/37/36/555953736.db2.gz RRFVIDIMXRSOTF-UHFFFAOYSA-N 1 2 495.595 4.784 40 0 JJABLO Clc1ccccc1C[NH+]1CCN([C@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000022930090 555983021 /nfs/dbraw/zinc/98/30/21/555983021.db2.gz GGTXFVOLHRTAFT-XMMPIXPASA-N 1 2 479.053 4.538 40 0 JJABLO Clc1ccccc1C[NH+]1CCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000022930087 555983135 /nfs/dbraw/zinc/98/31/35/555983135.db2.gz GGTXFVOLHRTAFT-DEOSSOPVSA-N 1 2 479.053 4.538 40 0 JJABLO CC(=O)C[C@H](NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000027904766 556309478 /nfs/dbraw/zinc/30/94/78/556309478.db2.gz TVIHJZQKEIKYOI-SANMLTNESA-N 1 2 457.643 4.989 40 0 JJABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccc(Cl)c(Cl)c3)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508706 556443508 /nfs/dbraw/zinc/44/35/08/556443508.db2.gz YQWNKSAOGPCCHD-ROUUACIJSA-N 1 2 475.850 4.917 40 0 JJABLO C[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290322 560029796 /nfs/dbraw/zinc/02/97/96/560029796.db2.gz XPKQASJXAPDIQN-KYPHJKQUSA-N 1 2 465.619 4.776 40 0 biogenic,in-vitro JJABLO C[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290322 560029797 /nfs/dbraw/zinc/02/97/97/560029797.db2.gz XPKQASJXAPDIQN-KYPHJKQUSA-N 1 2 465.619 4.776 40 0 biogenic,in-vitro JJABLO C[NH+]1CCN(C(=O)c2ccc3oc(-c4cc(Cl)cc(Cl)c4Br)nc3c2)CC1 ZINC000059843038 569607876 /nfs/dbraw/zinc/60/78/76/569607876.db2.gz JMLLAXLIAFTLCE-UHFFFAOYSA-N 1 2 469.166 4.952 40 0 JJABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216458 569700539 /nfs/dbraw/zinc/70/05/39/569700539.db2.gz HNKYIMWJIGRFKP-JOCHJYFZSA-N 1 2 466.582 4.612 40 0 JJABLO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000170626128 569873432 /nfs/dbraw/zinc/87/34/32/569873432.db2.gz CFBJYVZHHHPJHK-FHWLQOOXSA-N 1 2 487.980 4.704 40 0 JJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2Cl)c1 ZINC000216308815 569878265 /nfs/dbraw/zinc/87/82/65/569878265.db2.gz TXJMXYUAZVXRBY-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000216479733 569879075 /nfs/dbraw/zinc/87/90/75/569879075.db2.gz NMEFHZWFSSKFAC-MHZLTWQESA-N 1 2 468.582 4.577 40 0 JJABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C1CCCCC1 ZINC000223180618 569902326 /nfs/dbraw/zinc/90/23/26/569902326.db2.gz UWAIKRSFVDMPNU-UIOOFZCWSA-N 1 2 481.710 4.700 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223506395 569913920 /nfs/dbraw/zinc/91/39/20/569913920.db2.gz WUCXAUWVEMUQFQ-RPBOFIJWSA-N 1 2 454.603 4.506 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(C)c(C)c1 ZINC000224294411 569939615 /nfs/dbraw/zinc/93/96/15/569939615.db2.gz KDSPZDGEJBIVHO-UHFFFAOYSA-N 1 2 488.584 4.578 40 0 JJABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COCc1ccccc1 ZINC000224357942 569941827 /nfs/dbraw/zinc/94/18/27/569941827.db2.gz VYZXVLWUJRSVFY-MDWZMJQESA-N 1 2 456.586 4.883 40 0 JJABLO CSc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(=O)N1CCCCC1 ZINC000224963869 569965480 /nfs/dbraw/zinc/96/54/80/569965480.db2.gz ZPXLOUPONYJJMQ-UHFFFAOYSA-N 1 2 473.664 4.826 40 0 JJABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC ZINC000225223163 569983639 /nfs/dbraw/zinc/98/36/39/569983639.db2.gz JJVLRJIKAVDQQV-UHFFFAOYSA-N 1 2 470.422 4.534 40 0 JJABLO COc1cccc(-c2nnsc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000225767348 570020783 /nfs/dbraw/zinc/02/07/83/570020783.db2.gz ATZOZONHCLJHGN-UHFFFAOYSA-N 1 2 470.598 4.761 40 0 JJABLO CCCCCCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2OC)=C(C)[NH+]=C2N=CNN21 ZINC000408702314 570022355 /nfs/dbraw/zinc/02/23/55/570022355.db2.gz BCGLCEGMWKIUGE-XMMPIXPASA-N 1 2 461.566 4.826 40 0 JJABLO CCn1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c2cc(C)ccc21 ZINC000408713105 570025355 /nfs/dbraw/zinc/02/53/55/570025355.db2.gz KHXJLPQHTZTNCI-UHFFFAOYSA-N 1 2 465.597 4.877 40 0 JJABLO CCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000231429970 570046672 /nfs/dbraw/zinc/04/66/72/570046672.db2.gz BWDKQXWSXNYGKP-UHFFFAOYSA-N 1 2 471.022 4.835 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000408960669 570085785 /nfs/dbraw/zinc/08/57/85/570085785.db2.gz NOSKUHXUZVGNRL-STZFKDTASA-N 1 2 480.977 4.872 40 0 JJABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000253500343 570101567 /nfs/dbraw/zinc/10/15/67/570101567.db2.gz DUDJQILKWMQZMJ-RDGATRHJSA-N 1 2 490.608 4.563 40 0 JJABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000253500343 570101568 /nfs/dbraw/zinc/10/15/68/570101568.db2.gz DUDJQILKWMQZMJ-RDGATRHJSA-N 1 2 490.608 4.563 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000253500417 570101869 /nfs/dbraw/zinc/10/18/69/570101869.db2.gz LHEIJOIMAXOZQZ-FYYLOGMGSA-N 1 2 482.629 4.603 40 0 JJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000253500417 570101870 /nfs/dbraw/zinc/10/18/70/570101870.db2.gz LHEIJOIMAXOZQZ-FYYLOGMGSA-N 1 2 482.629 4.603 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000253500487 570101946 /nfs/dbraw/zinc/10/19/46/570101946.db2.gz QKQYIDIPHIKRSI-OFNKIYASSA-N 1 2 466.630 4.677 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000253500487 570101948 /nfs/dbraw/zinc/10/19/48/570101948.db2.gz QKQYIDIPHIKRSI-OFNKIYASSA-N 1 2 466.630 4.677 40 0 JJABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500488 570102003 /nfs/dbraw/zinc/10/20/03/570102003.db2.gz QMLNAKPFLJAXLR-AOYPEHQESA-N 1 2 486.620 4.806 40 0 JJABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500488 570102004 /nfs/dbraw/zinc/10/20/04/570102004.db2.gz QMLNAKPFLJAXLR-AOYPEHQESA-N 1 2 486.620 4.806 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500466 570102024 /nfs/dbraw/zinc/10/20/24/570102024.db2.gz PIMGMCYLNCYMHH-VWNXMTODSA-N 1 2 464.614 4.873 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500466 570102025 /nfs/dbraw/zinc/10/20/25/570102025.db2.gz PIMGMCYLNCYMHH-VWNXMTODSA-N 1 2 464.614 4.873 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000253616918 570105036 /nfs/dbraw/zinc/10/50/36/570105036.db2.gz SKFDJKVKGODSKN-RDGATRHJSA-N 1 2 490.608 4.563 40 0 JJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000253616918 570105037 /nfs/dbraw/zinc/10/50/37/570105037.db2.gz SKFDJKVKGODSKN-RDGATRHJSA-N 1 2 490.608 4.563 40 0 JJABLO O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000409028207 570105209 /nfs/dbraw/zinc/10/52/09/570105209.db2.gz IXKOBKUGHLHEBP-HAVVHWLPSA-N 1 2 460.961 4.954 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4ccc5ccoc5c4)C3)c2)nc(C)[nH+]1 ZINC000257218239 570113591 /nfs/dbraw/zinc/11/35/91/570113591.db2.gz DCJCEGXQHKTSFH-OAQYLSRUSA-N 1 2 456.546 4.915 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000257221761 570114636 /nfs/dbraw/zinc/11/46/36/570114636.db2.gz DQKQGAYFXYZJDQ-UHFFFAOYSA-N 1 2 457.509 4.673 40 0 JJABLO CS(=O)(=O)c1ccc(C[NH+]2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257235877 570118903 /nfs/dbraw/zinc/11/89/03/570118903.db2.gz GZXUIJFULUTAQB-JTHBVZDNSA-N 1 2 462.011 4.638 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCC[C@]4(C[C@@H](Oc5ccccc5)CO4)C3)c2)nc(C)[nH+]1 ZINC000257240883 570120504 /nfs/dbraw/zinc/12/05/04/570120504.db2.gz HVOMDFUCRAABMR-SQHAQQRYSA-N 1 2 458.562 4.680 40 0 JJABLO Cc1cc(Nc2ccc(F)cn2)nc(C2CC[NH+](Cc3nc4cc(Cl)ccc4[nH]3)CC2)n1 ZINC000257266909 570128583 /nfs/dbraw/zinc/12/85/83/570128583.db2.gz MFDDLLUQAPCNFA-UHFFFAOYSA-N 1 2 451.937 4.972 40 0 JJABLO Cc1cc(Nc2ccc(F)cn2)nc(C2CC[NH+](Cc3nc4ccc(Cl)cc4[nH]3)CC2)n1 ZINC000257266909 570128585 /nfs/dbraw/zinc/12/85/85/570128585.db2.gz MFDDLLUQAPCNFA-UHFFFAOYSA-N 1 2 451.937 4.972 40 0 JJABLO COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000257282113 570133237 /nfs/dbraw/zinc/13/32/37/570133237.db2.gz OSJNYJUOTDSLIL-OAQYLSRUSA-N 1 2 469.545 4.542 40 0 JJABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@]2(CN(c3ccc(Cl)cc3)C(=O)O2)CC1 ZINC000257289279 570135457 /nfs/dbraw/zinc/13/54/57/570135457.db2.gz PXWYYNHXONPWAW-RUZDIDTESA-N 1 2 464.953 4.607 40 0 JJABLO CC(C)n1nccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000257317910 570143819 /nfs/dbraw/zinc/14/38/19/570143819.db2.gz VLRHZGQLIGEPSQ-OAQYLSRUSA-N 1 2 482.032 4.806 40 0 JJABLO CC(C)n1nccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000257317910 570143820 /nfs/dbraw/zinc/14/38/20/570143820.db2.gz VLRHZGQLIGEPSQ-OAQYLSRUSA-N 1 2 482.032 4.806 40 0 JJABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000257322651 570145162 /nfs/dbraw/zinc/14/51/62/570145162.db2.gz WGWGCTFKKQAOGS-JOCHJYFZSA-N 1 2 459.565 4.740 40 0 JJABLO CN(c1ccccc1)c1ccc(C[C@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)nn1 ZINC000257327240 570146621 /nfs/dbraw/zinc/14/66/21/570146621.db2.gz XAPIETONUIIKCZ-HSZRJFAPSA-N 1 2 466.589 4.584 40 0 JJABLO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccccc1F ZINC000257333410 570148585 /nfs/dbraw/zinc/14/85/85/570148585.db2.gz YBKFNESPCWVMLZ-HXUWFJFHSA-N 1 2 455.961 4.896 40 0 JJABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccccc1F ZINC000257333410 570148586 /nfs/dbraw/zinc/14/85/86/570148586.db2.gz YBKFNESPCWVMLZ-HXUWFJFHSA-N 1 2 455.961 4.896 40 0 JJABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4ccc5ccncc5c4)C3)c2)nc(C)[nH+]1 ZINC000257335566 570149139 /nfs/dbraw/zinc/14/91/39/570149139.db2.gz YKTRPJLNSLEXIX-JOCHJYFZSA-N 1 2 467.573 4.717 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000409180894 570159079 /nfs/dbraw/zinc/15/90/79/570159079.db2.gz UEFUOQWOAGDZQA-QFIPXVFZSA-N 1 2 470.932 4.935 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NC=[NH+]C2=N1 ZINC000409180894 570159081 /nfs/dbraw/zinc/15/90/81/570159081.db2.gz UEFUOQWOAGDZQA-QFIPXVFZSA-N 1 2 470.932 4.935 40 0 JJABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000261361908 570167403 /nfs/dbraw/zinc/16/74/03/570167403.db2.gz BKYQITGKYRAFKH-XMMPIXPASA-O 1 2 465.562 4.792 40 0 JJABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4F)n[n+]32)cc(Cl)c1O ZINC000261362428 570167515 /nfs/dbraw/zinc/16/75/15/570167515.db2.gz CYLBTQZXRMPJPU-QFIPXVFZSA-O 1 2 497.959 4.908 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccccc2Cl)o1 ZINC000261363623 570168074 /nfs/dbraw/zinc/16/80/74/570168074.db2.gz ULBKDVRNPXOSFA-JOCHJYFZSA-O 1 2 465.942 4.685 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 ZINC000261365446 570169020 /nfs/dbraw/zinc/16/90/20/570169020.db2.gz SITAWWNOYGDTIX-QFIPXVFZSA-O 1 2 465.942 4.685 40 0 JJABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000261365498 570169069 /nfs/dbraw/zinc/16/90/69/570169069.db2.gz STGUCCOGYOHLPZ-SANMLTNESA-O 1 2 485.589 4.741 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261365305 570169115 /nfs/dbraw/zinc/16/91/15/570169115.db2.gz RGRXFDUDBMVFHR-QFIPXVFZSA-O 1 2 465.942 4.685 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)ccc1OC ZINC000261366054 570169430 /nfs/dbraw/zinc/16/94/30/570169430.db2.gz XDLCTFLBMJTHMB-HSZRJFAPSA-O 1 2 486.017 4.994 40 0 JJABLO CCC(=O)N1c2ccc(Br)cc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(Cl)cc1 ZINC000261366091 570169467 /nfs/dbraw/zinc/16/94/67/570169467.db2.gz XIEQIOIAPXPBLI-IBGZPJMESA-O 1 2 492.806 4.578 40 0 JJABLO CNc1nc(Nc2cccc(Br)c2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328993781 570180978 /nfs/dbraw/zinc/18/09/78/570180978.db2.gz JBSKMGHYFJXZGS-UHFFFAOYSA-N 1 2 453.262 4.742 40 0 JJABLO Clc1cc(I)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329024580 570182224 /nfs/dbraw/zinc/18/22/24/570182224.db2.gz PBCBUGIEZPGNKK-UHFFFAOYSA-N 1 2 462.722 4.563 40 0 JJABLO OCCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329055351 570183161 /nfs/dbraw/zinc/18/31/61/570183161.db2.gz VNAWNZUTDSIISJ-UHFFFAOYSA-N 1 2 470.398 5.182 40 0 JJABLO CCNc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329071940 570184008 /nfs/dbraw/zinc/18/40/08/570184008.db2.gz ZTWNOUFNMQAQQW-UHFFFAOYSA-N 1 2 467.289 4.692 40 0 JJABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000001328303 194088549 /nfs/dbraw/zinc/08/85/49/194088549.db2.gz YFAPUEATDVUDJG-XMMPIXPASA-N 1 2 476.028 4.931 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374299 194108607 /nfs/dbraw/zinc/10/86/07/194108607.db2.gz MGKFWBSJWGOBEH-VWLOTQADSA-N 1 2 486.551 4.757 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374299 194108610 /nfs/dbraw/zinc/10/86/10/194108610.db2.gz MGKFWBSJWGOBEH-VWLOTQADSA-N 1 2 486.551 4.757 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374660 194109022 /nfs/dbraw/zinc/10/90/22/194109022.db2.gz FSIMPYCBQFJNLV-MHZLTWQESA-N 1 2 494.599 4.725 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374660 194109025 /nfs/dbraw/zinc/10/90/25/194109025.db2.gz FSIMPYCBQFJNLV-MHZLTWQESA-N 1 2 494.599 4.725 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374630 194109194 /nfs/dbraw/zinc/10/91/94/194109194.db2.gz SESXOOOLLRTFCC-DEOSSOPVSA-N 1 2 492.599 4.961 40 0 JJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374630 194109196 /nfs/dbraw/zinc/10/91/96/194109196.db2.gz SESXOOOLLRTFCC-DEOSSOPVSA-N 1 2 492.599 4.961 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375349 194109818 /nfs/dbraw/zinc/10/98/18/194109818.db2.gz AAIQPCDRGYCBDB-AREMUKBSSA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375349 194109821 /nfs/dbraw/zinc/10/98/21/194109821.db2.gz AAIQPCDRGYCBDB-AREMUKBSSA-N 1 2 482.588 4.926 40 0 JJABLO CC(C)Oc1cccnc1N(C)C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000003874854 194365884 /nfs/dbraw/zinc/36/58/84/194365884.db2.gz ZJAXDNQQFMPNAV-UHFFFAOYSA-N 1 2 465.379 4.574 40 0 in-vitro JJABLO COC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccccc1C)CCCC2 ZINC000012643127 195072408 /nfs/dbraw/zinc/07/24/08/195072408.db2.gz URFCPAJBZDLGCO-UHFFFAOYSA-N 1 2 493.614 4.582 40 0 JJABLO COc1ccc(NC(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000020503163 524549019 /nfs/dbraw/zinc/54/90/19/524549019.db2.gz KHHMKWPVGIISCZ-UHFFFAOYSA-N 1 2 467.516 4.921 40 0 JJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2C)cc1C ZINC000020459647 525295304 /nfs/dbraw/zinc/29/53/04/525295304.db2.gz ZQTIXYLQBLLQCB-UHFFFAOYSA-N 1 2 474.586 4.528 40 0 JJABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2Cl)cc1 ZINC000020460434 525601326 /nfs/dbraw/zinc/60/13/26/525601326.db2.gz JBUAWHGFDXESIA-UHFFFAOYSA-N 1 2 480.977 4.565 40 0 JJABLO O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000022715155 526603268 /nfs/dbraw/zinc/60/32/68/526603268.db2.gz NCFVMICGVIWLNB-UHFFFAOYSA-N 1 2 478.600 4.528 40 0 JJABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000020451882 527374100 /nfs/dbraw/zinc/37/41/00/527374100.db2.gz ZHDNWXIVGYGAIL-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000020460626 527385549 /nfs/dbraw/zinc/38/55/49/527385549.db2.gz VKPNEFIHARHWCA-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000022535125 527385968 /nfs/dbraw/zinc/38/59/68/527385968.db2.gz QHTOXHDIHACPRM-UHFFFAOYSA-N 1 2 495.004 4.873 40 0 JJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927109 553863874 /nfs/dbraw/zinc/86/38/74/553863874.db2.gz PNMMESIARJKMFS-UHFFFAOYSA-N 1 2 458.610 4.521 40 0 JJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927109 553863879 /nfs/dbraw/zinc/86/38/79/553863879.db2.gz PNMMESIARJKMFS-UHFFFAOYSA-N 1 2 458.610 4.521 40 0 JJABLO Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)cc1C ZINC000001167154 553920718 /nfs/dbraw/zinc/92/07/18/553920718.db2.gz QVNITSTXBGJBJH-HAHDFKILSA-N 1 2 474.586 4.835 40 0 JJABLO Cc1ccccc1CC[N@H+](Cc1nnnn1CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494288 555403789 /nfs/dbraw/zinc/40/37/89/555403789.db2.gz YRTJZWCUBUZONT-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO Cc1ccccc1CC[N@@H+](Cc1nnnn1CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494288 555403793 /nfs/dbraw/zinc/40/37/93/555403793.db2.gz YRTJZWCUBUZONT-UHFFFAOYSA-N 1 2 492.627 4.619 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494455 555404614 /nfs/dbraw/zinc/40/46/14/555404614.db2.gz FPHKRPNTESQLMW-HSZRJFAPSA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494455 555404615 /nfs/dbraw/zinc/40/46/15/555404615.db2.gz FPHKRPNTESQLMW-HSZRJFAPSA-N 1 2 474.609 4.740 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494770 555406447 /nfs/dbraw/zinc/40/64/47/555406447.db2.gz IVBBTAYZGLWCIP-VWLOTQADSA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494770 555406450 /nfs/dbraw/zinc/40/64/50/555406450.db2.gz IVBBTAYZGLWCIP-VWLOTQADSA-N 1 2 482.588 4.926 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495119 555407131 /nfs/dbraw/zinc/40/71/31/555407131.db2.gz RYBDFVGYGRZVPI-VWLOTQADSA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495119 555407133 /nfs/dbraw/zinc/40/71/33/555407133.db2.gz RYBDFVGYGRZVPI-VWLOTQADSA-N 1 2 498.587 4.626 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495797 555409123 /nfs/dbraw/zinc/40/91/23/555409123.db2.gz FRALFVJGRKORMO-NRFANRHFSA-N 1 2 492.605 4.573 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495797 555409125 /nfs/dbraw/zinc/40/91/25/555409125.db2.gz FRALFVJGRKORMO-NRFANRHFSA-N 1 2 492.605 4.573 40 0 JJABLO COc1ccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498703 555423889 /nfs/dbraw/zinc/42/38/89/555423889.db2.gz HGMMRJNUPWPQRZ-XMMPIXPASA-N 1 2 492.599 4.817 40 0 JJABLO COc1ccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498703 555423892 /nfs/dbraw/zinc/42/38/92/555423892.db2.gz HGMMRJNUPWPQRZ-XMMPIXPASA-N 1 2 492.599 4.817 40 0 JJABLO Cc1cc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498872 555425499 /nfs/dbraw/zinc/42/54/99/555425499.db2.gz MWQIVRNBSVSSJW-UKILVPOCSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498872 555425500 /nfs/dbraw/zinc/42/55/00/555425500.db2.gz MWQIVRNBSVSSJW-UKILVPOCSA-N 1 2 478.641 4.625 40 0 JJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499088 555428064 /nfs/dbraw/zinc/42/80/64/555428064.db2.gz WCKDFWRILQQIJV-AREMUKBSSA-N 1 2 497.603 4.567 40 0 JJABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499088 555428066 /nfs/dbraw/zinc/42/80/66/555428066.db2.gz WCKDFWRILQQIJV-AREMUKBSSA-N 1 2 497.603 4.567 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499168 555428850 /nfs/dbraw/zinc/42/88/50/555428850.db2.gz KJGVYRZQNLJRTO-HSZRJFAPSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499168 555428851 /nfs/dbraw/zinc/42/88/51/555428851.db2.gz KJGVYRZQNLJRTO-HSZRJFAPSA-N 1 2 462.598 4.879 40 0 JJABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500205 555437652 /nfs/dbraw/zinc/43/76/52/555437652.db2.gz PBOOZKPSTHLCHG-XMMPIXPASA-N 1 2 458.610 4.978 40 0 JJABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500205 555437655 /nfs/dbraw/zinc/43/76/55/555437655.db2.gz PBOOZKPSTHLCHG-XMMPIXPASA-N 1 2 458.610 4.978 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500951 555445499 /nfs/dbraw/zinc/44/54/99/555445499.db2.gz UQDJLHIVBPLQOL-GMAHTHKFSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500951 555445504 /nfs/dbraw/zinc/44/55/04/555445504.db2.gz UQDJLHIVBPLQOL-GMAHTHKFSA-N 1 2 492.649 4.607 40 0 JJABLO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 ZINC000013565798 555502912 /nfs/dbraw/zinc/50/29/12/555502912.db2.gz GUUFLOXNLBQLCU-UHFFFAOYSA-N 1 2 452.624 4.704 40 0 JJABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1ccccn1)C[N@@H+](Cc1ccccc1)CC2 ZINC000014162769 555716703 /nfs/dbraw/zinc/71/67/03/555716703.db2.gz UEQVUPMFWIDWSH-UHFFFAOYSA-N 1 2 467.616 4.609 40 0 JJABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1ccccn1)C[N@H+](Cc1ccccc1)CC2 ZINC000014162769 555716706 /nfs/dbraw/zinc/71/67/06/555716706.db2.gz UEQVUPMFWIDWSH-UHFFFAOYSA-N 1 2 467.616 4.609 40 0 JJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(OC)cc4)cc3n2)c(C)c1 ZINC000014272827 555771467 /nfs/dbraw/zinc/77/14/67/555771467.db2.gz PCDKMTQLPFBUMK-UHFFFAOYSA-N 1 2 473.577 4.910 40 0 JJABLO CCn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237012 555894851 /nfs/dbraw/zinc/89/48/51/555894851.db2.gz WGFVUDHARZIPHJ-RMKNXTFCSA-N 1 2 469.507 4.511 40 0 JJABLO O=C(CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nc2ccccc2s1 ZINC000023352781 556048158 /nfs/dbraw/zinc/04/81/58/556048158.db2.gz ZUHGXXHPRUWHFD-UHFFFAOYSA-N 1 2 478.568 4.920 40 0 JJABLO Cc1cc(OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000026781416 556262470 /nfs/dbraw/zinc/26/24/70/556262470.db2.gz DQCFNQNVXIUIDG-XMMPIXPASA-N 1 2 451.010 4.795 40 0 JJABLO CCCCn1nnnc1COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC000028616792 556337104 /nfs/dbraw/zinc/33/71/04/556337104.db2.gz GTMOSGFEISRZSV-UHFFFAOYSA-N 1 2 469.640 4.771 40 0 JJABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccc(Cl)c(Cl)c3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508705 556443449 /nfs/dbraw/zinc/44/34/49/556443449.db2.gz YQWNKSAOGPCCHD-ZWKOTPCHSA-N 1 2 475.850 4.917 40 0 JJABLO CCCCCC(=O)N[C@H]1C[C@@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C1(C)C ZINC000067890161 560050138 /nfs/dbraw/zinc/05/01/38/560050138.db2.gz WKHRVXVTJMSJRZ-BWKNWUBXSA-N 1 2 452.643 4.651 40 0 biogenic,in-vitro JJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937050 569638294 /nfs/dbraw/zinc/63/82/94/569638294.db2.gz VWUXWAUERQMNDW-YKSBVNFPSA-N 1 2 492.649 4.525 40 0 JJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937050 569638295 /nfs/dbraw/zinc/63/82/95/569638295.db2.gz VWUXWAUERQMNDW-YKSBVNFPSA-N 1 2 492.649 4.525 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937366 569639004 /nfs/dbraw/zinc/63/90/04/569639004.db2.gz CLJVDSHSPCHWIN-QPPBQGQZSA-N 1 2 492.649 4.607 40 0 JJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937366 569639007 /nfs/dbraw/zinc/63/90/07/569639007.db2.gz CLJVDSHSPCHWIN-QPPBQGQZSA-N 1 2 492.649 4.607 40 0 JJABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000072216499 569700542 /nfs/dbraw/zinc/70/05/42/569700542.db2.gz IWXCXGWIMSROAD-JOCHJYFZSA-N 1 2 450.583 4.506 40 0 JJABLO Cc1nn2c(ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000038829650 569808483 /nfs/dbraw/zinc/80/84/83/569808483.db2.gz JXGPXULCBSTBFA-UHFFFAOYSA-N 1 2 459.981 4.625 40 0 JJABLO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918140 569863301 /nfs/dbraw/zinc/86/33/01/569863301.db2.gz HFUAUHBPXIPIFS-LOZGSCJYSA-N 1 2 457.655 4.789 40 0 JJABLO COc1cc2c(cc1S(=O)(=O)N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000223167768 569901831 /nfs/dbraw/zinc/90/18/31/569901831.db2.gz CYKUADDBINXGFD-UHFFFAOYSA-N 1 2 476.642 4.670 40 0 JJABLO Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1 ZINC000223179267 569902244 /nfs/dbraw/zinc/90/22/44/569902244.db2.gz CFBMKWUQHNBJMP-LOSJGSFVSA-N 1 2 494.686 4.829 40 0 JJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc3ccccc3c2)N1CCC[NH+]1CCOCC1 ZINC000223198548 569903119 /nfs/dbraw/zinc/90/31/19/569903119.db2.gz WKXDXXNPJJJBJO-NSOVKSMOSA-N 1 2 497.668 4.720 40 0 JJABLO Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223202709 569903323 /nfs/dbraw/zinc/90/33/23/569903323.db2.gz CQHKMYZYHWEPAG-RPBOFIJWSA-N 1 2 497.064 4.998 40 0 JJABLO Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223203991 569903393 /nfs/dbraw/zinc/90/33/93/569903393.db2.gz GMGZOHCJOCOPHN-RPBOFIJWSA-N 1 2 497.064 4.998 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224022993 569930881 /nfs/dbraw/zinc/93/08/81/569930881.db2.gz BVMPRAIIXRRVMF-CLJLJLNGSA-N 1 2 483.597 4.844 40 0 JJABLO COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)c1 ZINC000224903457 569962617 /nfs/dbraw/zinc/96/26/17/569962617.db2.gz QGYDIEIMLHCVCY-UHFFFAOYSA-N 1 2 497.551 4.704 40 0 JJABLO COc1ccc(Cl)cc1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000408665287 570003865 /nfs/dbraw/zinc/00/38/65/570003865.db2.gz DKMMCMQCUQNEIW-UHFFFAOYSA-N 1 2 452.938 4.533 40 0 JJABLO CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408675381 570010280 /nfs/dbraw/zinc/01/02/80/570010280.db2.gz HZAKWBQALYFIFW-UHFFFAOYSA-N 1 2 467.569 4.532 40 0 JJABLO CC(C)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000408749732 570033682 /nfs/dbraw/zinc/03/36/82/570033682.db2.gz SPARIVXCNFDAIH-UHFFFAOYSA-N 1 2 468.648 4.684 40 0 JJABLO Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408960213 570085459 /nfs/dbraw/zinc/08/54/59/570085459.db2.gz JRONQRLIQPEWLT-JCMHNJIXSA-N 1 2 474.586 4.835 40 0 JJABLO Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)c(C)c1 ZINC000408960002 570085525 /nfs/dbraw/zinc/08/55/25/570085525.db2.gz HYBYMCVICZXKRW-HAHDFKILSA-N 1 2 474.586 4.835 40 0 JJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000408960870 570085736 /nfs/dbraw/zinc/08/57/36/570085736.db2.gz PAUBMTMTAKVCQO-STZFKDTASA-N 1 2 480.977 4.872 40 0 JJABLO Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)cc1 ZINC000408961621 570086085 /nfs/dbraw/zinc/08/60/85/570086085.db2.gz UAWKUHLEBBLBCL-JCMHNJIXSA-N 1 2 460.559 4.527 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000253500324 570101491 /nfs/dbraw/zinc/10/14/91/570101491.db2.gz CHIRTEZAYLFDMO-RSXGOPAZSA-N 1 2 486.620 4.662 40 0 JJABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000253500324 570101492 /nfs/dbraw/zinc/10/14/92/570101492.db2.gz CHIRTEZAYLFDMO-RSXGOPAZSA-N 1 2 486.620 4.662 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500443 570102063 /nfs/dbraw/zinc/10/20/63/570102063.db2.gz OJCNIAUTOGYCLR-VWNXMTODSA-N 1 2 464.614 4.873 40 0 JJABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500443 570102064 /nfs/dbraw/zinc/10/20/64/570102064.db2.gz OJCNIAUTOGYCLR-VWNXMTODSA-N 1 2 464.614 4.873 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500576 570102173 /nfs/dbraw/zinc/10/21/73/570102173.db2.gz XLDXGMDWWJWLPC-PKTZIBPZSA-N 1 2 464.614 4.791 40 0 JJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500576 570102174 /nfs/dbraw/zinc/10/21/74/570102174.db2.gz XLDXGMDWWJWLPC-PKTZIBPZSA-N 1 2 464.614 4.791 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500528 570102206 /nfs/dbraw/zinc/10/22/06/570102206.db2.gz UTGPDNXZJGEGMO-GGAORHGYSA-N 1 2 482.629 4.603 40 0 JJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500528 570102207 /nfs/dbraw/zinc/10/22/07/570102207.db2.gz UTGPDNXZJGEGMO-GGAORHGYSA-N 1 2 482.629 4.603 40 0 JJABLO Cc1[nH+]c2ccccn2c1CC(=O)N(C)[C@@H]1CCC[C@@H](Nc2cccc(Oc3ccccc3)c2)[C@@H]1O ZINC000257201951 570108329 /nfs/dbraw/zinc/10/83/29/570108329.db2.gz AJTWCUVJTFXUIU-MIHVYDCKSA-N 1 2 484.600 4.830 40 0 JJABLO COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)CC[C@@H]3O[C@H]21 ZINC000257224825 570115633 /nfs/dbraw/zinc/11/56/33/570115633.db2.gz FDOCIJFUMLRZAH-BPEMXEAKSA-N 1 2 487.600 4.720 40 0 JJABLO CC(=O)N1CC[N@H+](Cc2ccccc2OCc2ccccn2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257225986 570115794 /nfs/dbraw/zinc/11/57/94/570115794.db2.gz FIRJNMRVSOPJRX-MHZLTWQESA-N 1 2 459.590 4.853 40 0 JJABLO CC(=O)N1CC[N@@H+](Cc2ccccc2OCc2ccccn2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257225986 570115795 /nfs/dbraw/zinc/11/57/95/570115795.db2.gz FIRJNMRVSOPJRX-MHZLTWQESA-N 1 2 459.590 4.853 40 0 JJABLO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000257229337 570116849 /nfs/dbraw/zinc/11/68/49/570116849.db2.gz FXSAOZNTPAYNRW-XMMPIXPASA-N 1 2 492.023 4.579 40 0 JJABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257231791 570117500 /nfs/dbraw/zinc/11/75/00/570117500.db2.gz GIGKILHLVOPJOL-NRFANRHFSA-N 1 2 457.509 4.673 40 0 JJABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257233239 570117915 /nfs/dbraw/zinc/11/79/15/570117915.db2.gz GOJDNBXIPHHHTJ-SANMLTNESA-N 1 2 464.541 4.707 40 0 JJABLO CC(C)c1cc(Nc2ccc(F)cn2)nc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)n1 ZINC000257236720 570119206 /nfs/dbraw/zinc/11/92/06/570119206.db2.gz HDKHFCZJFOZNEE-UHFFFAOYSA-N 1 2 466.536 4.835 40 0 JJABLO COc1ccc(C(=O)N2CCC[C@H](Cc3cccn4cc[nH+]c34)CC2)cc1NCc1cccnc1 ZINC000257240392 570120327 /nfs/dbraw/zinc/12/03/27/570120327.db2.gz HTFHSXXWUHJDDB-NRFANRHFSA-N 1 2 469.589 4.835 40 0 JJABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257241377 570120545 /nfs/dbraw/zinc/12/05/45/570120545.db2.gz HXVOIINEKUOWJO-HXUWFJFHSA-N 1 2 457.509 4.673 40 0 JJABLO CC(=O)N1CC[N@H+](Cc2ccccc2OCc2cccnc2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257290058 570135578 /nfs/dbraw/zinc/13/55/78/570135578.db2.gz QBKFYERHQXEISD-HHHXNRCGSA-N 1 2 459.590 4.853 40 0 JJABLO CC(=O)N1CC[N@@H+](Cc2ccccc2OCc2cccnc2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257290058 570135579 /nfs/dbraw/zinc/13/55/79/570135579.db2.gz QBKFYERHQXEISD-HHHXNRCGSA-N 1 2 459.590 4.853 40 0 JJABLO COc1ccc(C(=O)N2CCC[C@@H](Cc3cccc4[nH+]ccn43)CC2)cc1NCc1cccnc1 ZINC000257309615 570141341 /nfs/dbraw/zinc/14/13/41/570141341.db2.gz UBQCVOWYKWQODH-OAQYLSRUSA-N 1 2 469.589 4.835 40 0 JJABLO CO[C@H]1C[N@H+](CC(=O)N(c2ccccc2)c2ccccc2)C[C@@]12CCCN2C(=O)OCc1ccccc1 ZINC000257317496 570143835 /nfs/dbraw/zinc/14/38/35/570143835.db2.gz VJYLHAFTAQWYDY-FIBWVYCGSA-N 1 2 499.611 4.853 40 0 JJABLO CO[C@H]1C[N@@H+](CC(=O)N(c2ccccc2)c2ccccc2)C[C@@]12CCCN2C(=O)OCc1ccccc1 ZINC000257317496 570143836 /nfs/dbraw/zinc/14/38/36/570143836.db2.gz VJYLHAFTAQWYDY-FIBWVYCGSA-N 1 2 499.611 4.853 40 0 JJABLO Cc1cc(Nc2cccc([C@H]3CCCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)C3)n2)n[nH]1 ZINC000257318752 570144058 /nfs/dbraw/zinc/14/40/58/570144058.db2.gz VPFMHKBLKDRABG-FQEVSTJZSA-N 1 2 471.609 4.811 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccccc3Cl)c2)N2NC=NC2=[NH+]1 ZINC000409175941 570156862 /nfs/dbraw/zinc/15/68/62/570156862.db2.gz FHMLHTLKITZSKP-JOCHJYFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccccc3Cl)c2)N2NC=[NH+]C2=N1 ZINC000409175941 570156863 /nfs/dbraw/zinc/15/68/63/570156863.db2.gz FHMLHTLKITZSKP-JOCHJYFZSA-N 1 2 452.942 4.796 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(F)cc3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409176536 570156986 /nfs/dbraw/zinc/15/69/86/570156986.db2.gz QJGCYRHPUMNUQQ-DEOSSOPVSA-N 1 2 480.540 4.680 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(F)cc3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409176536 570156987 /nfs/dbraw/zinc/15/69/87/570156987.db2.gz QJGCYRHPUMNUQQ-DEOSSOPVSA-N 1 2 480.540 4.680 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3Cl)c(OC)c2)N2NC=NC2=[NH+]1 ZINC000409180197 570158790 /nfs/dbraw/zinc/15/87/90/570158790.db2.gz PXRRJFOWFXJOSE-QHCPKHFHSA-N 1 2 482.968 4.804 40 0 JJABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3Cl)c(OC)c2)N2NC=[NH+]C2=N1 ZINC000409180197 570158792 /nfs/dbraw/zinc/15/87/92/570158792.db2.gz PXRRJFOWFXJOSE-QHCPKHFHSA-N 1 2 482.968 4.804 40 0 JJABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1ccc(O)c(Br)c1 ZINC000261361570 570167256 /nfs/dbraw/zinc/16/72/56/570167256.db2.gz AAGFLXCSOKBEII-OAQYLSRUSA-O 1 2 494.394 4.870 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1OC ZINC000261361646 570167268 /nfs/dbraw/zinc/16/72/68/570167268.db2.gz AIIBFIOUGYFYOE-DEOSSOPVSA-O 1 2 465.599 4.731 40 0 JJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1c(F)cccc1Cl ZINC000261363570 570168059 /nfs/dbraw/zinc/16/80/59/570168059.db2.gz HOPXQTSEWDIXBW-QFIPXVFZSA-O 1 2 479.944 4.858 40 0 JJABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000261364156 570168372 /nfs/dbraw/zinc/16/83/72/570168372.db2.gz JNYWXNNKYMPDIB-QHCPKHFHSA-O 1 2 463.514 4.561 40 0 JJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(SC)cc1 ZINC000261364110 570168456 /nfs/dbraw/zinc/16/84/56/570168456.db2.gz JILNWVGNSRQEOW-JOCHJYFZSA-O 1 2 453.613 4.664 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(F)cc1 ZINC000261364898 570168690 /nfs/dbraw/zinc/16/86/90/570168690.db2.gz OOFXXCGHCQNQCN-QHCPKHFHSA-O 1 2 453.563 4.862 40 0 JJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261364926 570168943 /nfs/dbraw/zinc/16/89/43/570168943.db2.gz OSPKJAFTWSDDCQ-QFIPXVFZSA-O 1 2 469.587 4.504 40 0 JJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Cl)c1 ZINC000261365710 570169181 /nfs/dbraw/zinc/16/91/81/570169181.db2.gz UUECMWZNKQXVHV-QFIPXVFZSA-O 1 2 455.991 4.986 40 0 JJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1c(F)cccc1Cl ZINC000261366405 570169609 /nfs/dbraw/zinc/16/96/09/570169609.db2.gz ZMUUFROLMWVCBT-OAQYLSRUSA-O 1 2 459.954 4.735 40 0 JJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328959271 570179443 /nfs/dbraw/zinc/17/94/43/570179443.db2.gz ASOCRBQZZBXHGI-MRXNPFEDSA-N 1 2 459.310 5.308 40 0 JJABLO Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)cc1C(F)(F)F ZINC000328965311 570179673 /nfs/dbraw/zinc/17/96/73/570179673.db2.gz CCZQIVVIKSQSNU-UHFFFAOYSA-N 1 2 486.416 4.751 40 0 JJABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328973680 570180111 /nfs/dbraw/zinc/18/01/11/570180111.db2.gz FCKFEDHCCSQXRV-FQEVSTJZSA-N 1 2 464.463 5.222 40 0 JJABLO FC(F)(F)Oc1cccc(-c2cc(NCCc3ccncc3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000328979608 570180438 /nfs/dbraw/zinc/18/04/38/570180438.db2.gz GHTDPVWHTKSJRN-UHFFFAOYSA-N 1 2 457.500 4.680 40 0 JJABLO COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329041248 570182802 /nfs/dbraw/zinc/18/28/02/570182802.db2.gz SHDJGLIJXUXMNF-FQEVSTJZSA-N 1 2 476.499 5.092 40 0 JJABLO CNc1nc(Nc2ccc(F)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329045024 570182907 /nfs/dbraw/zinc/18/29/07/570182907.db2.gz TUCMVBOCFISFJB-UHFFFAOYSA-N 1 2 457.225 4.573 40 0 JJABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408553777 570196021 /nfs/dbraw/zinc/19/60/21/570196021.db2.gz BUHIKJGVAJIPTD-UHFFFAOYSA-N 1 2 459.615 4.554 40 0 JJABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408553777 570196022 /nfs/dbraw/zinc/19/60/22/570196022.db2.gz BUHIKJGVAJIPTD-UHFFFAOYSA-N 1 2 459.615 4.554 40 0 JJABLO