smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1NS(=O)(=O)c1cc(OCC(=O)Nc2nncs2)c(C)cc1Cl ZINC000000645348 193871570 /nfs/dbraw/zinc/87/15/70/193871570.db2.gz JMLVIGQVPHDRFP-UHFFFAOYSA-N 0 1 452.945 3.627 50 0 JHAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cccc(F)c2)cc1 ZINC000003431083 194322142 /nfs/dbraw/zinc/32/21/42/194322142.db2.gz NZVUEQUHDUYDFP-UHFFFAOYSA-N 0 1 472.494 3.821 50 0 JHAAMN COc1ccc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)c(OC)c1 ZINC000003521300 194334791 /nfs/dbraw/zinc/33/47/91/194334791.db2.gz BBSIUZDCPFJHQS-UHFFFAOYSA-N 0 1 487.505 3.992 50 0 JHAAMN CCOC(=O)[C@@]1(C)C=C(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1c1ccccc1 ZINC000004647337 194393069 /nfs/dbraw/zinc/39/30/69/194393069.db2.gz KRVKGOYWYZQPIV-HSZRJFAPSA-N 0 1 498.586 3.608 50 0 JHAAMN O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Br)cc(Br)c1[O-] ZINC000009886853 195014832 /nfs/dbraw/zinc/01/48/32/195014832.db2.gz UKXLUYCEZRMFEU-UHFFFAOYSA-N 0 1 484.188 3.679 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[NH+](C)C)cc1 ZINC000012604912 195050152 /nfs/dbraw/zinc/05/01/52/195050152.db2.gz RLBWIVOWSXUGFW-HSZRJFAPSA-N 0 1 453.564 3.529 50 0 JHAAMN Cc1ccc(-c2csc3ncn(CC(=O)NC[C@@H](c4ccco4)N4CCCC4)c(=O)c23)cc1 ZINC000012683563 195084974 /nfs/dbraw/zinc/08/49/74/195084974.db2.gz BPIMOZOOARRQDT-FQEVSTJZSA-N 0 1 462.575 3.980 50 0 JHAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000012751041 195105848 /nfs/dbraw/zinc/10/58/48/195105848.db2.gz XNOMHQOLECYNMB-SANMLTNESA-N 0 1 451.611 3.761 50 0 JHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000012855559 195157328 /nfs/dbraw/zinc/15/73/28/195157328.db2.gz WMRCSXCSPJGEBQ-UHFFFAOYSA-N 0 1 452.338 3.793 50 0 JHAAMN CC1CCN(Cc2nc3sc4c(c3c(NC[C@H]([C@H]3CCOC3)N3CCOCC3)n2)CCC4)CC1 ZINC000012864345 195160718 /nfs/dbraw/zinc/16/07/18/195160718.db2.gz JETZIUDLKNRJKB-PZJWPPBQSA-N 0 1 485.698 3.561 50 0 JHAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020756899 195216079 /nfs/dbraw/zinc/21/60/79/195216079.db2.gz UVHGKDWHEYBPHM-ZUVQJFRASA-N 0 1 476.964 3.585 50 0 biogenic JHAAMN Cc1cc(C)cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]2)c1 ZINC000021089261 195274128 /nfs/dbraw/zinc/27/41/28/195274128.db2.gz UCARVDSIDATNIB-UHFFFAOYSA-N 0 1 477.995 3.912 50 0 JHAAMN CCN1CCc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C(C)=O)cc4)cc3)sc2C1 ZINC000021295719 195293435 /nfs/dbraw/zinc/29/34/35/195293435.db2.gz IKNQZLKDFBYJLJ-UHFFFAOYSA-N 0 1 484.603 3.777 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478450 195343703 /nfs/dbraw/zinc/34/37/03/195343703.db2.gz FCWUZYCBSPUYRY-SANMLTNESA-N 0 1 476.621 3.859 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478483 195343758 /nfs/dbraw/zinc/34/37/58/195343758.db2.gz FJZIOEDEVDSTIS-RUZDIDTESA-N 0 1 462.594 3.551 50 0 JHAAMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000058159137 195368055 /nfs/dbraw/zinc/36/80/55/195368055.db2.gz KBNZNRQEKBYQJP-HNNXBMFYSA-N 0 1 471.966 3.508 50 0 JHAAMN CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033033387 520394121 /nfs/dbraw/zinc/39/41/21/520394121.db2.gz JOFCESNAIVXCEQ-UHFFFAOYSA-N 0 1 472.655 3.893 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205168 520518171 /nfs/dbraw/zinc/51/81/71/520518171.db2.gz AUTOFQICEBNXKO-QFIPXVFZSA-N 0 1 489.403 3.987 50 0 JHAAMN CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1OC ZINC000016752050 521274753 /nfs/dbraw/zinc/27/47/53/521274753.db2.gz QJCQGSQQXZWZPC-NRFANRHFSA-N 0 1 456.926 3.961 50 0 JHAAMN CCc1cccc(NS(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2OC)c1 ZINC000033123222 521773189 /nfs/dbraw/zinc/77/31/89/521773189.db2.gz JRRCSMUOLCPDPV-UHFFFAOYSA-N 0 1 468.535 3.603 50 0 JHAAMN COC(=O)c1cc(CNC(=O)[C@@H]2CCOC(C)(C)C2)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000012246627 521851858 /nfs/dbraw/zinc/85/18/58/521851858.db2.gz CAUJNYLJKYXFGY-MRXNPFEDSA-N 0 1 494.997 3.749 50 0 JHAAMN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 ZINC000036365294 521898405 /nfs/dbraw/zinc/89/84/05/521898405.db2.gz GZKAHHHUHBJDCV-OAQYLSRUSA-N 0 1 454.458 3.532 50 0 JHAAMN COc1cc(-c2noc([C@H](NC[C@H](O)COCc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160485 521919039 /nfs/dbraw/zinc/91/90/39/521919039.db2.gz BVUFGUWYNWODKH-SIKLNZKXSA-N 0 1 471.554 3.627 50 0 JHAAMN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N(CC(C)(C)C)C2)nn1 ZINC000012338027 522327470 /nfs/dbraw/zinc/32/74/70/522327470.db2.gz YKTFQXLSXJGDIA-GGAORHGYSA-N 0 1 475.593 3.632 50 0 JHAAMN CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c1)NC(=O)CCC2=O ZINC000033276699 522706827 /nfs/dbraw/zinc/70/68/27/522706827.db2.gz HFYYXKLWMGADIG-UHFFFAOYSA-N 0 1 468.535 3.603 50 0 JHAAMN COc1cc2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]c(=O)c2cc1OC ZINC000022793435 523063740 /nfs/dbraw/zinc/06/37/40/523063740.db2.gz KHMJGCFFVSMVOS-UHFFFAOYSA-N 0 1 470.573 3.848 50 0 JHAAMN COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000033276583 523075327 /nfs/dbraw/zinc/07/53/27/523075327.db2.gz JFICGEWDHOGKCM-UHFFFAOYSA-N 0 1 474.926 3.694 50 0 JHAAMN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000020507878 523737133 /nfs/dbraw/zinc/73/71/33/523737133.db2.gz NBGXONBKYDIMSE-FTJBHMTQSA-N 0 1 488.657 3.593 50 0 JHAAMN CN1CCN(c2ccccc2NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000048288740 523927973 /nfs/dbraw/zinc/92/79/73/523927973.db2.gz VLTQPDVBGCLILA-UHFFFAOYSA-N 0 1 474.527 3.948 50 0 JHAAMN COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2cc4c(cc2Cl)OCO4)CC3)cc1 ZINC000014748493 523945347 /nfs/dbraw/zinc/94/53/47/523945347.db2.gz FIKWVRKTBHBXJZ-UHFFFAOYSA-N 0 1 485.968 3.549 50 0 JHAAMN Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033594 524321321 /nfs/dbraw/zinc/32/13/21/524321321.db2.gz KEDLIFNUKIJCNQ-GOSISDBHSA-N 0 1 484.666 3.694 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)n1 ZINC000027990588 524591993 /nfs/dbraw/zinc/59/19/93/524591993.db2.gz DUOKNHRWIWDCFO-UHFFFAOYSA-N 0 1 455.521 3.863 50 0 JHAAMN COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000014900175 524624521 /nfs/dbraw/zinc/62/45/21/524624521.db2.gz RWWNPXULZBTLTG-UHFFFAOYSA-N 0 1 483.525 3.786 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1C ZINC000012526016 524643025 /nfs/dbraw/zinc/64/30/25/524643025.db2.gz YMQFYHKYLGOHBR-UHFFFAOYSA-N 0 1 492.557 3.612 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc2OC)cc1 ZINC000021870486 524688136 /nfs/dbraw/zinc/68/81/36/524688136.db2.gz JVOLLVDUJRNGJL-UHFFFAOYSA-N 0 1 484.530 3.805 50 0 JHAAMN Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3Cl)ccc2N2CC[NH2+]CC2)c1 ZINC000033034073 524808282 /nfs/dbraw/zinc/80/82/82/524808282.db2.gz KNLCAEZYVMSPAT-UHFFFAOYSA-N 0 1 499.036 3.789 50 0 JHAAMN Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)o2)cc1 ZINC000048324032 525453379 /nfs/dbraw/zinc/45/33/79/525453379.db2.gz CCPYQYNKGCODPL-AZUAARDMSA-N 0 1 452.580 3.828 50 0 JHAAMN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000022698112 525785426 /nfs/dbraw/zinc/78/54/26/525785426.db2.gz NVJTVPFHYPVHFF-NDEPHWFRSA-N 0 1 481.600 3.921 50 0 JHAAMN COc1cccc(CN(C[C@H](O)COCc2ccco2)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147008 525924912 /nfs/dbraw/zinc/92/49/12/525924912.db2.gz RQCSERMGGZPLTK-URXFXBBRSA-N 0 1 494.544 3.590 50 0 JHAAMN C[C@@H](Sc1nc(C=Cc2cccs2)n[nH]1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000044460025 525999986 /nfs/dbraw/zinc/99/99/86/525999986.db2.gz CLLZJYFRFLYCIX-SMYYYNMVSA-N 0 1 457.537 3.637 50 0 JHAAMN O=C([O-])c1cnc(N2CCC(CC[NH+]3CCCCC3)CC2)c(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000035397924 526404126 /nfs/dbraw/zinc/40/41/26/526404126.db2.gz GBOIBBGTBXDUDM-UHFFFAOYSA-N 0 1 490.601 3.812 50 0 JHAAMN O=C(NC[C@@H]1CCCO1)c1cc2cc(C3(O)CCN(C/C=C/c4ccco4)CC3)ccc2o1 ZINC000012338065 526519551 /nfs/dbraw/zinc/51/95/51/526519551.db2.gz CBYOUHOZYQFMAU-FPCYGPBVSA-N 0 1 450.535 3.931 50 0 JHAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]1)Nc1cc(F)ccc1F ZINC000002693946 554291426 /nfs/dbraw/zinc/29/14/26/554291426.db2.gz FBRMCQHQIVEPRP-UHFFFAOYSA-N 0 1 471.894 3.677 50 0 JHAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)ccc1OCC(C)C ZINC000008845537 554743153 /nfs/dbraw/zinc/74/31/53/554743153.db2.gz WPCMDEXAASATKH-XMMPIXPASA-N 0 1 451.523 3.753 50 0 JHAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)ccc1OCC(C)C ZINC000008845538 554743177 /nfs/dbraw/zinc/74/31/77/554743177.db2.gz WPCMDEXAASATKH-DEOSSOPVSA-N 0 1 451.523 3.753 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)cc2)n1 ZINC000008845860 554743941 /nfs/dbraw/zinc/74/39/41/554743941.db2.gz RWQJMHITYBEBKH-UHFFFAOYSA-N 0 1 478.530 3.870 50 0 JHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccc4nc(N5CCOCC5)sc4c3)CC2)c1 ZINC000008912759 554803440 /nfs/dbraw/zinc/80/34/40/554803440.db2.gz NKSBPFUAFWZESY-UHFFFAOYSA-N 0 1 493.677 3.692 50 0 JHAAMN COc1cccc([C@H](CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)N2CCCC2)c1 ZINC000008940765 554831771 /nfs/dbraw/zinc/83/17/71/554831771.db2.gz SUJRHMFITZLDOH-VWLOTQADSA-N 0 1 468.557 3.961 50 0 JHAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009057866 554876944 /nfs/dbraw/zinc/87/69/44/554876944.db2.gz VSTUSVMLMVGGCF-UHFFFAOYSA-N 0 1 454.504 3.910 50 0 JHAAMN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000009223968 554994778 /nfs/dbraw/zinc/99/47/78/554994778.db2.gz KUDJRUVYFVDVCZ-UHFFFAOYSA-N 0 1 470.639 3.644 50 0 JHAAMN COc1ccc(-n2cc(C(=O)NCCN3CCc4ccccc4C3)c3ccccc3c2=O)cc1 ZINC000009433741 555204047 /nfs/dbraw/zinc/20/40/47/555204047.db2.gz PVWZMNCVUJAQSS-UHFFFAOYSA-N 0 1 453.542 3.787 50 0 JHAAMN Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NC(=O)NC3CCCCC3)ccc21 ZINC000009487187 555262891 /nfs/dbraw/zinc/26/28/91/555262891.db2.gz HMANZUORAVXJPK-UHFFFAOYSA-N 0 1 461.614 3.787 50 0 JHAAMN Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cccc4ccccc43)[nH]c2=O)cc1 ZINC000009518124 555312240 /nfs/dbraw/zinc/31/22/40/555312240.db2.gz JHQSMXXAHMMIPL-UHFFFAOYSA-N 0 1 459.531 3.797 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)c1 ZINC000009632884 555334759 /nfs/dbraw/zinc/33/47/59/555334759.db2.gz QHRNTTKDSCYZGR-UHFFFAOYSA-N 0 1 470.547 3.785 50 0 JHAAMN COc1ccc2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000009635228 555342212 /nfs/dbraw/zinc/34/22/12/555342212.db2.gz YMPYHIMSFQYJJK-UHFFFAOYSA-N 0 1 452.458 3.780 50 0 JHAAMN CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nn1 ZINC000009650557 555361940 /nfs/dbraw/zinc/36/19/40/555361940.db2.gz HOGQJURYYXZATC-UHFFFAOYSA-N 0 1 458.348 3.655 50 0 JHAAMN CCc1nnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)s1 ZINC000009668810 555382402 /nfs/dbraw/zinc/38/24/02/555382402.db2.gz APDLKWMBFUUXGQ-UHFFFAOYSA-N 0 1 467.370 3.916 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000009672355 555394150 /nfs/dbraw/zinc/39/41/50/555394150.db2.gz QKHCJLHXMHXAPX-UHFFFAOYSA-N 0 1 458.561 3.786 50 0 JHAAMN CN(C)CCCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(cc(F)cc2F)s1 ZINC000009707973 555432178 /nfs/dbraw/zinc/43/21/78/555432178.db2.gz PWMDOSDPGUYUQO-UHFFFAOYSA-N 0 1 453.536 3.577 50 0 JHAAMN COc1ccc(-c2cc3ncn(CC(=O)NC[C@@H](c4ccco4)N4CCCC4)c(=O)c3s2)cc1 ZINC000009712016 555435515 /nfs/dbraw/zinc/43/55/15/555435515.db2.gz HPQCUECKXWARKA-FQEVSTJZSA-N 0 1 478.574 3.680 50 0 JHAAMN NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009714703 555444232 /nfs/dbraw/zinc/44/42/32/555444232.db2.gz DRALJWUVZJGCLX-UHFFFAOYSA-N 0 1 453.451 3.724 50 0 JHAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cc12 ZINC000009727863 555461989 /nfs/dbraw/zinc/46/19/89/555461989.db2.gz DSEOIDVSPWKIJK-UHFFFAOYSA-N 0 1 469.542 3.739 50 0 JHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000009781941 555502392 /nfs/dbraw/zinc/50/23/92/555502392.db2.gz IFSSRYPVGGGSPO-DEOSSOPVSA-N 0 1 479.602 3.594 50 0 JHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000009781944 555502424 /nfs/dbraw/zinc/50/24/24/555502424.db2.gz IFSSRYPVGGGSPO-XMMPIXPASA-N 0 1 479.602 3.594 50 0 JHAAMN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)N[C@@]21c2ccccc2N(C/C=C\c2ccccc2)C1=O ZINC000019848577 555510227 /nfs/dbraw/zinc/51/02/27/555510227.db2.gz MBDBZKCQRBCWCM-IOKXGIQMSA-N 0 1 493.563 3.748 50 0 JHAAMN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCN(C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000020069371 555626258 /nfs/dbraw/zinc/62/62/58/555626258.db2.gz URPWXFDJSAFAIT-WOJBJXKFSA-N 0 1 483.682 3.812 50 0 JHAAMN Nc1cc(N)nc(SCC(=O)Nc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)n1 ZINC000020102709 555634817 /nfs/dbraw/zinc/63/48/17/555634817.db2.gz YCBHVIOIKDIZET-UHFFFAOYSA-N 0 1 452.584 3.527 50 0 JHAAMN CC(C)Cn1cc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c2c3ccccc3n(C)c2c1=O ZINC000020138825 555662072 /nfs/dbraw/zinc/66/20/72/555662072.db2.gz XFNGNRIDSDTDRD-UHFFFAOYSA-N 0 1 499.659 3.697 50 0 JHAAMN CCOC(=O)C1C(CN(CCOC)Cc2cccs2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214113 555708722 /nfs/dbraw/zinc/70/87/22/555708722.db2.gz GXGUJTCFYSFJRY-HXUWFJFHSA-N 0 1 463.987 3.721 50 0 JHAAMN CN(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242260 555738558 /nfs/dbraw/zinc/73/85/58/555738558.db2.gz TULZXVZPXNMWTR-MGBGTMOVSA-N 0 1 482.005 3.959 50 0 JHAAMN Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1 ZINC000020355883 555784948 /nfs/dbraw/zinc/78/49/48/555784948.db2.gz MODKOXITJMCPRM-UHFFFAOYSA-N 0 1 457.577 3.765 50 0 JHAAMN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 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/nfs/dbraw/zinc/84/92/66/555849266.db2.gz LFUMYHKUULROAB-QHCPKHFHSA-N 0 1 469.589 3.668 50 0 JHAAMN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)nc2)[C@H]1c1ccccc1OC ZINC000021131720 555849854 /nfs/dbraw/zinc/84/98/54/555849854.db2.gz MVGUFCGVNSPWCP-ATIYNZHBSA-N 0 1 479.625 3.561 50 0 JHAAMN Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cnc(-c4ccccc4)s2)CC3)cc1 ZINC000011910923 555858603 /nfs/dbraw/zinc/85/86/03/555858603.db2.gz RNTAUBXADCQYAE-UHFFFAOYSA-N 0 1 472.618 3.741 50 0 JHAAMN CC(=O)Nc1ccc(CN2CCC3(C[C@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)s1 ZINC000011974190 555875270 /nfs/dbraw/zinc/87/52/70/555875270.db2.gz DHCMSFZFYYMPRV-IBGZPJMESA-N 0 1 465.623 3.554 50 0 JHAAMN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cc(OC)ccc3OC)CC2)CC1 ZINC000022241823 555895389 /nfs/dbraw/zinc/89/53/89/555895389.db2.gz HMBAPKIKXNFMNG-UHFFFAOYSA-N 0 1 467.610 3.663 50 0 JHAAMN O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000012190507 555937401 /nfs/dbraw/zinc/93/74/01/555937401.db2.gz PWIFVTSZCCGUNF-UHFFFAOYSA-N 0 1 467.573 3.988 50 0 JHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)n[nH]2)c(C)c1 ZINC000015680645 555949060 /nfs/dbraw/zinc/94/90/60/555949060.db2.gz AYCHQIBCALOZHJ-UHFFFAOYSA-N 0 1 465.000 3.555 50 0 JHAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OCC)cc2)C1 ZINC000022853433 555960265 /nfs/dbraw/zinc/96/02/65/555960265.db2.gz XNQYVTZEMHAZQJ-LPHOPBHVSA-N 0 1 458.584 3.822 50 0 JHAAMN COc1ccc(COC[C@H](O)CN2CCN(Cc3csc4ccccc34)CC2)cc1OC ZINC000022912350 555968104 /nfs/dbraw/zinc/96/81/04/555968104.db2.gz JDVYCUAGGKDMPJ-OAQYLSRUSA-N 0 1 456.608 3.614 50 0 JHAAMN COc1ccccc1CN1CCC(CNS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)CC1 ZINC000015730986 555973495 /nfs/dbraw/zinc/97/34/95/555973495.db2.gz VCPZPFZNJZVMGX-KRWDZBQOSA-N 0 1 489.663 3.709 50 0 JHAAMN O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022924891 555977096 /nfs/dbraw/zinc/97/70/96/555977096.db2.gz GRJRQMQJWJLTNA-RUZDIDTESA-N 0 1 460.574 3.700 50 0 JHAAMN 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556043842 /nfs/dbraw/zinc/04/38/42/556043842.db2.gz HAPKYPWDBWYNNP-UHFFFAOYSA-N 0 1 478.514 3.689 50 0 JHAAMN CC[NH+](CC)Cc1nc2sc(C)c(C)c2c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000023408396 556051725 /nfs/dbraw/zinc/05/17/25/556051725.db2.gz IZRJQAFNHLNSNB-UHFFFAOYSA-N 0 1 462.597 3.722 50 0 JHAAMN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)c2)cc1 ZINC000012583596 556080802 /nfs/dbraw/zinc/08/08/02/556080802.db2.gz QYFNVYIWQFRNIU-UHFFFAOYSA-N 0 1 479.606 3.503 50 0 JHAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968566 556094545 /nfs/dbraw/zinc/09/45/45/556094545.db2.gz YMHOBMDDUHXZBH-IDCDSMMUSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000015971813 556096935 /nfs/dbraw/zinc/09/69/35/556096935.db2.gz XHRDLHFNGOLTQE-IMBSWCNGSA-N 0 1 496.954 3.989 50 0 JHAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000023883394 556098931 /nfs/dbraw/zinc/09/89/31/556098931.db2.gz LWXYQRRQYBARLJ-UHFFFAOYSA-N 0 1 468.623 3.844 50 0 JHAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]21 ZINC000016011667 556110630 /nfs/dbraw/zinc/11/06/30/556110630.db2.gz GNJAHZIZGIPPGZ-DYXJYMTDSA-N 0 1 476.385 3.672 50 0 JHAAMN COc1cccc([C@H](CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)N(C)C)c1 ZINC000012923381 556141982 /nfs/dbraw/zinc/14/19/82/556141982.db2.gz VVCAOAKWVFBOBO-DEOSSOPVSA-N 0 1 457.530 3.524 50 0 JHAAMN CC(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)[NH+](C)C ZINC000024923992 556163569 /nfs/dbraw/zinc/16/35/69/556163569.db2.gz SDPUMXSUWLIEBZ-LJQANCHMSA-N 0 1 468.417 3.566 50 0 JHAAMN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000012975155 556167262 /nfs/dbraw/zinc/16/72/62/556167262.db2.gz SHQSPODCOAIIQV-FCHUYYIVSA-N 0 1 485.650 3.509 50 0 JHAAMN Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000016848580 556169982 /nfs/dbraw/zinc/16/99/82/556169982.db2.gz MNIIPWPNMSUULF-UHFFFAOYSA-N 0 1 484.647 3.529 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccc(OC)cc3OC)ccc2OC)cc1 ZINC000024990908 556170975 /nfs/dbraw/zinc/17/09/75/556170975.db2.gz YKINKIKYODGRLD-UHFFFAOYSA-N 0 1 486.546 3.703 50 0 JHAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c2=O)cc1 ZINC000017121233 556219284 /nfs/dbraw/zinc/21/92/84/556219284.db2.gz UYYIMACSKNOYCH-UHFFFAOYSA-N 0 1 479.967 3.716 50 0 JHAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000017167262 556230373 /nfs/dbraw/zinc/23/03/73/556230373.db2.gz HFHGFUWYQQRYPV-CFRBSIFHSA-N 0 1 483.543 3.751 50 0 JHAAMN CCCCN(C(=O)CN(C)C(c1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013041249 556246214 /nfs/dbraw/zinc/24/62/14/556246214.db2.gz KISPNQXBZOAMMV-UHFFFAOYSA-N 0 1 491.636 3.629 50 0 JHAAMN CCOC(=O)C1CCN([C@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000017296962 556252207 /nfs/dbraw/zinc/25/22/07/556252207.db2.gz OMFKLNVRVXOQSC-AREMUKBSSA-N 0 1 491.588 3.679 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)N2CCCCC2)cc1 ZINC000013070289 556267353 /nfs/dbraw/zinc/26/73/53/556267353.db2.gz ZZVQQYUNYBQYRC-XMMPIXPASA-N 0 1 473.639 3.681 50 0 JHAAMN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000027496819 556280844 /nfs/dbraw/zinc/28/08/44/556280844.db2.gz WOQHDLROTFOYQO-VXKWHMMOSA-N 0 1 461.628 3.624 50 0 JHAAMN CCCN1C(=O)N=NC1SCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000018524058 556322022 /nfs/dbraw/zinc/32/20/22/556322022.db2.gz VEOJMJGUSIDIBE-LJQANCHMSA-N 0 1 465.579 3.924 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000018835124 556324525 /nfs/dbraw/zinc/32/45/25/556324525.db2.gz FRQFIPJIQTUWHV-NRFANRHFSA-N 0 1 486.682 3.991 50 0 JHAAMN COc1ccc(C)cc1NC(=O)CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000029869301 556359678 /nfs/dbraw/zinc/35/96/78/556359678.db2.gz GYNZOIHPBVESLW-UHFFFAOYSA-N 0 1 468.579 3.691 50 0 JHAAMN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000032824892 556505124 /nfs/dbraw/zinc/50/51/24/556505124.db2.gz WJLGECWELFPUQO-UHFFFAOYSA-N 0 1 467.913 3.646 50 0 JHAAMN COc1cccc(-n2c3nc(SCC(=O)NCc4ccco4)[nH]c(=O)c3sc2=S)c1 ZINC000032948268 556563070 /nfs/dbraw/zinc/56/30/70/556563070.db2.gz IIXVNWKRJLIXOB-UHFFFAOYSA-N 0 1 460.562 3.515 50 0 JHAAMN Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1 ZINC000036383537 563128405 /nfs/dbraw/zinc/12/84/05/563128405.db2.gz FUTJVEUEUOHYOG-RBJSKKJNSA-N 0 1 466.541 3.720 50 0 JHAAMN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)CCCC3 ZINC000006500222 569589006 /nfs/dbraw/zinc/58/90/06/569589006.db2.gz RTJZXAMFWZMGNQ-UHFFFAOYSA-N 0 1 480.575 3.600 50 0 JHAAMN CC(C)c1ccc(NC(=O)[C@H]2CCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)C(F)(F)F)cc1 ZINC000057270879 569595283 /nfs/dbraw/zinc/59/52/83/569595283.db2.gz MKKCJCRPBOPXRZ-WOJBJXKFSA-N 0 1 461.484 3.639 50 0 JHAAMN 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/nfs/dbraw/zinc/34/16/20/555341620.db2.gz KLNZWNUTOQQXNR-NSHDSACASA-N 0 1 450.611 3.910 50 0 JHAAMN CCOC(=O)C1C(COC(=O)c2c3c(sc2NC(C)=O)CCCC3)=NC(=O)N[C@@H]1c1ccccc1 ZINC000013146369 555345648 /nfs/dbraw/zinc/34/56/48/555345648.db2.gz WHGAQADUCHWWEV-OAQYLSRUSA-N 0 1 497.573 3.613 50 0 JHAAMN CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1 ZINC000009572668 555369705 /nfs/dbraw/zinc/36/97/05/555369705.db2.gz CARPTSCHAHEWEG-UHFFFAOYSA-N 0 1 458.348 3.655 50 0 JHAAMN CCOC(=O)[C@@H](C)NC(=O)Nc1cc2sc(NS(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000013349246 555379300 /nfs/dbraw/zinc/37/93/00/555379300.db2.gz KFNOIIMOEODIBR-CQSZACIVSA-N 0 1 476.580 3.787 50 0 JHAAMN CCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2c1=O ZINC000009680197 555407761 /nfs/dbraw/zinc/40/77/61/555407761.db2.gz LNGGTWJMSPMNPV-UHFFFAOYSA-N 0 1 471.579 3.609 50 0 JHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000009686354 555414956 /nfs/dbraw/zinc/41/49/56/555414956.db2.gz JGXRORPIWPKXDJ-UHFFFAOYSA-N 0 1 490.677 3.750 50 0 JHAAMN CCOc1ccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000009723767 555455548 /nfs/dbraw/zinc/45/55/48/555455548.db2.gz XBBCRBKCZDDFPS-QFIPXVFZSA-N 0 1 471.623 3.818 50 0 JHAAMN CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000009631468 555460043 /nfs/dbraw/zinc/46/00/43/555460043.db2.gz LDEWEAVSUFAMKA-OAHLLOKOSA-N 0 1 491.422 3.523 50 0 JHAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000009631564 555460445 /nfs/dbraw/zinc/46/04/45/555460445.db2.gz ZCTIAMVMRDJDMN-UHFFFAOYSA-N 0 1 456.895 3.718 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1N1CCOCC1 ZINC000009631672 555461013 /nfs/dbraw/zinc/46/10/13/555461013.db2.gz ASQSKSYYVYPHRV-UHFFFAOYSA-N 0 1 499.564 3.653 50 0 JHAAMN COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000009631764 555461429 /nfs/dbraw/zinc/46/14/29/555461429.db2.gz OEPZVWHSLJOZPU-UHFFFAOYSA-N 0 1 497.573 3.594 50 0 JHAAMN COc1cc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC ZINC000009778780 555497913 /nfs/dbraw/zinc/49/79/13/555497913.db2.gz VDDBKNSLUFDTGU-PKTZIBPZSA-N 0 1 472.497 3.774 50 0 JHAAMN O=C1N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2C12OCCO2 ZINC000020034410 555609193 /nfs/dbraw/zinc/60/91/93/555609193.db2.gz ATIPLJLFECESCG-UHFFFAOYSA-N 0 1 455.558 3.598 50 0 JHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000010059886 555611131 /nfs/dbraw/zinc/61/11/31/555611131.db2.gz INORCWFZYZAZMD-UHFFFAOYSA-N 0 1 459.974 3.903 50 0 JHAAMN CCCN1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104408 555636814 /nfs/dbraw/zinc/63/68/14/555636814.db2.gz KLOOVIVKNGSCHN-AHWVRZQESA-N 0 1 465.594 3.742 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3F)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214546 555710079 /nfs/dbraw/zinc/71/00/79/555710079.db2.gz GMFWRGWAWJXSKQ-VWLOTQADSA-N 0 1 496.583 3.606 50 0 JHAAMN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN(C)C)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000020242642 555739406 /nfs/dbraw/zinc/73/94/06/555739406.db2.gz VBKMEBRWQKIPIQ-UMSFTDKQSA-N 0 1 475.614 3.922 50 0 JHAAMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000014255200 555756510 /nfs/dbraw/zinc/75/65/10/555756510.db2.gz NWVRYYGBHFGNHC-FQEVSTJZSA-N 0 1 485.650 3.849 50 0 JHAAMN O=C(OCc1ccc(-n2cccn2)cc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011413193 555778692 /nfs/dbraw/zinc/77/86/92/555778692.db2.gz GOPFGACHZYDXHM-UHFFFAOYSA-N 0 1 491.525 3.801 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c1 ZINC000011419284 555779027 /nfs/dbraw/zinc/77/90/27/555779027.db2.gz RQWUDPYGZATPEO-UHFFFAOYSA-N 0 1 495.557 3.884 50 0 JHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2=O)cc1C ZINC000020355868 555784955 /nfs/dbraw/zinc/78/49/55/555784955.db2.gz VKYBTMYEGCWDPY-UHFFFAOYSA-N 0 1 463.968 3.604 50 0 JHAAMN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1nc3ccccc3s1)C2 ZINC000014539585 555829646 /nfs/dbraw/zinc/82/96/46/555829646.db2.gz YOUVRGDWRXRIJQ-SFHVURJKSA-N 0 1 467.639 3.611 50 0 JHAAMN CCN1CCN(CCOc2ccc3c(c2)oc(C)c(-c2ccc(OC)c(OC)c2)c3=O)CC1 ZINC000020590994 555837934 /nfs/dbraw/zinc/83/79/34/555837934.db2.gz UEDGADCQNMKJIM-UHFFFAOYSA-N 0 1 452.551 3.802 50 0 biogenic JHAAMN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)nc2)[C@H]1c1ccccc1OC ZINC000021131714 555849947 /nfs/dbraw/zinc/84/99/47/555849947.db2.gz MVGUFCGVNSPWCP-BKMJKUGQSA-N 0 1 479.625 3.561 50 0 JHAAMN CC(C)Oc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 ZINC000011881499 555849961 /nfs/dbraw/zinc/84/99/61/555849961.db2.gz IMKWFTSICWHIGR-KRWDZBQOSA-N 0 1 469.536 3.893 50 0 JHAAMN CCOC(=O)c1sc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)c(C(=O)OCC)c1C ZINC000015019372 555861193 /nfs/dbraw/zinc/86/11/93/555861193.db2.gz FYFPGPNXRYPIBH-UHFFFAOYSA-N 0 1 488.591 3.850 50 0 JHAAMN COc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1O ZINC000012036612 555889785 /nfs/dbraw/zinc/88/97/85/555889785.db2.gz BFRWMXGHAYQCLC-JLEGMICCSA-N 0 1 475.633 3.861 50 0 JHAAMN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550974 555915187 /nfs/dbraw/zinc/91/51/87/555915187.db2.gz TXMHJLKOGISFRX-ZFGQVMFLSA-N 0 1 452.599 3.520 50 0 JHAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000012150833 555923090 /nfs/dbraw/zinc/92/30/90/555923090.db2.gz ONJHGBFZSOMZHK-DEOSSOPVSA-N 0 1 488.510 3.515 50 0 JHAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)c(OC)c2)C1 ZINC000022626219 555940373 /nfs/dbraw/zinc/94/03/73/555940373.db2.gz YEEAFOJBHJZCJG-APWZRJJASA-N 0 1 474.583 3.577 50 0 JHAAMN CCn1cc(CN2CCC([C@@]3(Cc4cccc(F)c4)NC(=O)N(CC(C)C)C3=O)CC2)c(C)n1 ZINC000012195970 555942024 /nfs/dbraw/zinc/94/20/24/555942024.db2.gz IWKSLEYKHDVVFX-AREMUKBSSA-N 0 1 469.605 3.752 50 0 JHAAMN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)c1 ZINC000012241893 555945608 /nfs/dbraw/zinc/94/56/08/555945608.db2.gz UOYOBZMJGOJQGH-UHFFFAOYSA-N 0 1 478.528 3.713 50 0 JHAAMN O=C(NCCCN1CCN(CCCNC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000022920812 555974779 /nfs/dbraw/zinc/97/47/79/555974779.db2.gz HDEDUHNBJRONKQ-UHFFFAOYSA-N 0 1 477.436 3.551 50 0 JHAAMN O=C1CCSc2ccc(S(=O)(=O)NCC3CCN(Cc4ccccc4Cl)CC3)cc2N1 ZINC000015732073 555975966 /nfs/dbraw/zinc/97/59/66/555975966.db2.gz KQPKXOZHJCYRLP-UHFFFAOYSA-N 0 1 480.055 3.965 50 0 JHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012590519 556086635 /nfs/dbraw/zinc/08/66/35/556086635.db2.gz DUNDJHHFVZWMMI-XMMPIXPASA-N 0 1 485.650 3.512 50 0 JHAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959932 556092315 /nfs/dbraw/zinc/09/23/15/556092315.db2.gz WUDQOZHPNAPWJM-CHCBTGSZSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967657 556093842 /nfs/dbraw/zinc/09/38/42/556093842.db2.gz GJHUCIUAAVMMTF-ZASNTINBSA-N 0 1 479.580 3.509 50 0 biogenic JHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969082 556094917 /nfs/dbraw/zinc/09/49/17/556094917.db2.gz GQWZWBHCJPUACB-HNFJUSDZSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000015971909 556096930 /nfs/dbraw/zinc/09/69/30/556096930.db2.gz OZXUELISYIIBOP-ZRIOWSNCSA-N 0 1 490.563 3.952 50 0 JHAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]21 ZINC000016009723 556108087 /nfs/dbraw/zinc/10/80/87/556108087.db2.gz ZHVCBNYGCFKZDY-JVGYHMDPSA-N 0 1 476.385 3.672 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010181 556109473 /nfs/dbraw/zinc/10/94/73/556109473.db2.gz LVJWWMCVUALAEJ-PNOLHXSVSA-N 0 1 479.964 3.651 50 0 JHAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016012359 556111283 /nfs/dbraw/zinc/11/12/83/556111283.db2.gz HYWUNRDQQCWJEJ-RJESQKRESA-N 0 1 477.992 3.944 50 0 JHAAMN CSCC[C@H]1N[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000016020422 556113066 /nfs/dbraw/zinc/11/30/66/556113066.db2.gz IJUXZXBGFVOQSS-FVJVTNMWSA-N 0 1 476.042 3.845 50 0 JHAAMN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000024595785 556137695 /nfs/dbraw/zinc/13/76/95/556137695.db2.gz HAEOBBNIHJNHII-UHFFFAOYSA-N 0 1 453.546 3.698 50 0 JHAAMN CCOc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(N4CCN(C)CC4)c3C2)cc1 ZINC000016534352 556142738 /nfs/dbraw/zinc/14/27/38/556142738.db2.gz JYGXKSNDWHRJNN-UHFFFAOYSA-N 0 1 472.593 3.884 50 0 JHAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000024836138 556159056 /nfs/dbraw/zinc/15/90/56/556159056.db2.gz BKEUUCQPUHKTQV-YPAWHYETSA-N 0 1 476.017 3.575 50 0 JHAAMN COc1ccc(CC(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)c(OC)c1 ZINC000024986501 556170011 /nfs/dbraw/zinc/17/00/11/556170011.db2.gz AYMGCDBMAZSPNQ-UHFFFAOYSA-N 0 1 474.510 3.834 50 0 JHAAMN Cc1cc(NC(=O)COc2ccc(C)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1 ZINC000017042970 556209692 /nfs/dbraw/zinc/20/96/92/556209692.db2.gz FSQKUSOIFIRRSO-UHFFFAOYSA-N 0 1 483.532 3.958 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(OC)c(OC)c2)c1 ZINC000013058515 556253862 /nfs/dbraw/zinc/25/38/62/556253862.db2.gz XFQMBQIKLYYIKK-UHFFFAOYSA-N 0 1 470.547 3.752 50 0 JHAAMN COc1cccc([C@H](CNC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)N(C)C)c1 ZINC000027595809 556300878 /nfs/dbraw/zinc/30/08/78/556300878.db2.gz AKEBCHLKCHIYAC-LOSJGSFVSA-N 0 1 483.634 3.570 50 0 JHAAMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000028198218 556317311 /nfs/dbraw/zinc/31/73/11/556317311.db2.gz GNXQJOAUKXILMU-UHFFFAOYSA-N 0 1 482.514 3.606 50 0 JHAAMN CN1CCN(C[C@@H](O)COc2ccc3c(c2)occ(Oc2ccc(C(C)(C)C)cc2)c3=O)CC1 ZINC000019367237 556346305 /nfs/dbraw/zinc/34/63/05/556346305.db2.gz PKPJTJQUJNYLTA-HXUWFJFHSA-N 0 1 466.578 3.870 50 0 JHAAMN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc12 ZINC000029580209 556353354 /nfs/dbraw/zinc/35/33/54/556353354.db2.gz YFXQZEHEIGJTNA-RUZDIDTESA-N 0 1 473.558 3.875 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cccc(Cl)c2)c1 ZINC000031993273 556412576 /nfs/dbraw/zinc/41/25/76/556412576.db2.gz AFHXZUUBETYGKG-FQEVSTJZSA-N 0 1 460.939 3.613 50 0 JHAAMN Cc1nc(COc2ccc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)cc2)cs1 ZINC000032065537 556413079 /nfs/dbraw/zinc/41/30/79/556413079.db2.gz QFEXRWJMRGCMHF-UHFFFAOYSA-N 0 1 450.608 3.578 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000032740840 556480485 /nfs/dbraw/zinc/48/04/85/556480485.db2.gz DJGWFVJNABCAJL-UHFFFAOYSA-N 0 1 451.958 3.507 50 0 JHAAMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000032954641 556569588 /nfs/dbraw/zinc/56/95/88/556569588.db2.gz KRBRZYUKQXPLAD-MRXNPFEDSA-N 0 1 472.014 3.959 50 0 JHAAMN COc1cc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC ZINC000008683103 562951658 /nfs/dbraw/zinc/95/16/58/562951658.db2.gz VDDBKNSLUFDTGU-XZOQPEGZSA-N 0 1 472.497 3.774 50 0 JHAAMN CCc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCCC3)c(=O)c2c1 ZINC000006296652 569589030 /nfs/dbraw/zinc/58/90/30/569589030.db2.gz PTKSFVJNEIFXKA-UHFFFAOYSA-N 0 1 453.564 3.542 50 0 JHAAMN CN(Cc1nc2c(s1)CCCC2)C1CCN(c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)CC1 ZINC000055358723 569591578 /nfs/dbraw/zinc/59/15/78/569591578.db2.gz VVKBEXZXCPBIEL-QHCPKHFHSA-N 0 1 495.693 3.521 50 0 JHAAMN CCOC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414710 569600224 /nfs/dbraw/zinc/60/02/24/569600224.db2.gz LBGQPOKEHJWTND-RUZDIDTESA-N 0 1 463.578 3.821 50 0 JHAAMN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3cc(F)ccc3N3CCN(C)CC3)o2)cc1 ZINC000062591862 569612543 /nfs/dbraw/zinc/61/25/43/569612543.db2.gz VJDTYSCIGYYZCY-MRXNPFEDSA-N 0 1 485.585 3.606 50 0 JHAAMN NC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064557871 569618350 /nfs/dbraw/zinc/61/83/50/569618350.db2.gz VXLHCDWJGPMWBI-LJQANCHMSA-N 0 1 468.918 3.770 50 0 JHAAMN CCNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc4ccccc43)[nH]n2)ccc1OC ZINC000033320931 569623468 /nfs/dbraw/zinc/62/34/68/569623468.db2.gz BSZMUGWYHLQPTJ-UHFFFAOYSA-N 0 1 450.520 3.789 50 0 JHAAMN CCCN1CCN(C(=O)CN(C)c2nn3c(nc(-c4ccc(C)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064704070 569624737 /nfs/dbraw/zinc/62/47/37/569624737.db2.gz SEFOKRJAPFKNEQ-UHFFFAOYSA-N 0 1 483.686 3.967 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cc(C)cc3C)c(Br)c1 ZINC000033786641 569635030 /nfs/dbraw/zinc/63/50/30/569635030.db2.gz ZRHMLGJKDVBCGP-PBQROFAYSA-N 0 1 494.389 3.806 50 0 biogenic JHAAMN CCn1c2c(C(=O)NCCc3ccc(Cl)cc3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835996 569636731 /nfs/dbraw/zinc/63/67/31/569636731.db2.gz PWYSDTRBOKMTCM-UHFFFAOYSA-N 0 1 490.007 3.700 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000033905377 569637222 /nfs/dbraw/zinc/63/72/22/569637222.db2.gz KEQYJSODVIVFTK-FVJVTNMWSA-N 0 1 469.463 3.753 50 0 JHAAMN Cc1cc(F)ccc1NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C3CC3)n1)C(=O)CO2 ZINC000065022553 569649222 /nfs/dbraw/zinc/64/92/22/569649222.db2.gz GWPNEEZGPJNPKH-UHFFFAOYSA-N 0 1 492.916 3.774 50 0 JHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034831877 569664338 /nfs/dbraw/zinc/66/43/38/569664338.db2.gz JOFFNLTYRRYLPL-UHFFFAOYSA-N 0 1 493.627 3.679 50 0 JHAAMN CCCCNC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C1CC1 ZINC000034835832 569665126 /nfs/dbraw/zinc/66/51/26/569665126.db2.gz LPJRZCJFNNIXHZ-UHFFFAOYSA-N 0 1 456.610 3.936 50 0 JHAAMN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(CCOC)Cc1cccc(C)n1 ZINC000034837002 569666333 /nfs/dbraw/zinc/66/63/33/569666333.db2.gz YGMKXEDXYUJTOI-UHFFFAOYSA-N 0 1 476.669 3.929 50 0 JHAAMN Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000065116749 569666695 /nfs/dbraw/zinc/66/66/95/569666695.db2.gz CSYDJGGZOVSAIZ-UHFFFAOYSA-N 0 1 468.507 3.812 50 0 JHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(NC2CCCCC2)n1 ZINC000065363284 569675157 /nfs/dbraw/zinc/67/51/57/569675157.db2.gz YJYUEGQGBCBQQI-UHFFFAOYSA-N 0 1 452.559 3.655 50 0 JHAAMN COc1cc(OC)c(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1Cl ZINC000065364083 569675467 /nfs/dbraw/zinc/67/54/67/569675467.db2.gz ZZPNFRZFAVUQGO-UHFFFAOYSA-N 0 1 474.993 3.800 50 0 JHAAMN COc1cccc([C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)N(C)C)c1 ZINC000035271453 569679337 /nfs/dbraw/zinc/67/93/37/569679337.db2.gz DPVQTPHGUIRCED-JTSKRJEESA-N 0 1 494.057 3.802 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067689694 569690076 /nfs/dbraw/zinc/69/00/76/569690076.db2.gz GCHWBVRZSOJGNQ-XMMPIXPASA-N 0 1 499.011 3.732 50 0 JHAAMN COc1ccccc1N1CCN(CCCNC(=O)c2nn(C)c3c2CSc2ccccc2-3)CC1 ZINC000035534885 569701537 /nfs/dbraw/zinc/70/15/37/569701537.db2.gz KJAMAPALDKFPCD-UHFFFAOYSA-N 0 1 477.634 3.644 50 0 JHAAMN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000085652083 569713850 /nfs/dbraw/zinc/71/38/50/569713850.db2.gz KZAICKYJHMDSMP-UHFFFAOYSA-N 0 1 494.529 3.516 50 0 JHAAMN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000085652099 569714027 /nfs/dbraw/zinc/71/40/27/569714027.db2.gz IUVJWLQJSZFPLU-UHFFFAOYSA-N 0 1 480.546 3.931 50 0 JHAAMN Cc1ncc(CN2CCN(CCO)CC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116533 569735471 /nfs/dbraw/zinc/73/54/71/569735471.db2.gz DOVSDHXXVZPIIW-UHFFFAOYSA-N 0 1 459.546 3.508 50 0 biogenic JHAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F ZINC000096791842 569743046 /nfs/dbraw/zinc/74/30/46/569743046.db2.gz PWBNEESKFPNCLM-LJQANCHMSA-N 0 1 467.339 3.702 50 0 JHAAMN CCOC(=O)C1=C(CN(Cc2cccs2)C[C@@H]2CCCO2)NC(=O)N[C@H]1c1ccccc1 ZINC000036021267 569750207 /nfs/dbraw/zinc/75/02/07/569750207.db2.gz FXELADFTKFVIHT-AVRDEDQJSA-N 0 1 455.580 3.600 50 0 JHAAMN COc1ccc(OC[C@H](O)CN(Cc2ccc3c(c2)OCO3)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036031028 569751862 /nfs/dbraw/zinc/75/18/62/569751862.db2.gz NEMUYGCVDPNCIJ-OAQYLSRUSA-N 0 1 481.545 3.883 50 0 JHAAMN CCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340848 569763907 /nfs/dbraw/zinc/76/39/07/569763907.db2.gz RROJJTVWABYCSR-QHCPKHFHSA-N 0 1 478.612 3.955 50 0 JHAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344455 569767149 /nfs/dbraw/zinc/76/71/49/569767149.db2.gz SDWDGVVMEHMJCP-RUZDIDTESA-N 0 1 464.610 3.636 50 0 JHAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F ZINC000036576256 569776833 /nfs/dbraw/zinc/77/68/33/569776833.db2.gz IUHXBRPOAGIDGK-TZIWHRDSSA-N 0 1 456.905 3.644 50 0 JHAAMN CN1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000037376190 569784312 /nfs/dbraw/zinc/78/43/12/569784312.db2.gz PYDNIKWEXZLTHD-UHFFFAOYSA-N 0 1 455.900 3.748 50 0 JHAAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2O)C[C@H]1c1ccc(C(C)C)cc1 ZINC000101456198 569798168 /nfs/dbraw/zinc/79/81/68/569798168.db2.gz ULKJLCYEVWQLDP-FQEVSTJZSA-N 0 1 466.925 3.706 50 0 JHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NC[C@@H]5CCCO5)cc4)c3=O)c2c1 ZINC000101497354 569800618 /nfs/dbraw/zinc/80/06/18/569800618.db2.gz LWXKWJMDESTZRM-KRWDZBQOSA-N 0 1 464.547 3.506 50 0 JHAAMN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)ccc1OC ZINC000040285715 569823581 /nfs/dbraw/zinc/82/35/81/569823581.db2.gz CCCQSNOKYIJGDU-NRFANRHFSA-N 0 1 454.458 3.532 50 0 JHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cc(OC)ccc2OC)c1 ZINC000040309033 569823738 /nfs/dbraw/zinc/82/37/38/569823738.db2.gz IFZHXNVXYJPIMQ-JOCHJYFZSA-N 0 1 450.495 3.702 50 0 biogenic JHAAMN COc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450403 569828355 /nfs/dbraw/zinc/82/83/55/569828355.db2.gz RYTPCYKNMGTBIV-UHFFFAOYSA-N 0 1 451.342 3.558 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cccc(C)c2)cc1Cl ZINC000051316558 569850596 /nfs/dbraw/zinc/85/05/96/569850596.db2.gz TUKWKXSHPIZMNI-UHFFFAOYSA-N 0 1 455.927 3.810 50 0 JHAAMN COc1cccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(OC)c(Cl)c2)c1 ZINC000051316576 569850821 /nfs/dbraw/zinc/85/08/21/569850821.db2.gz RAEVIHSRSSEHAH-UHFFFAOYSA-N 0 1 471.926 3.510 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318504 569851698 /nfs/dbraw/zinc/85/16/98/569851698.db2.gz UUXWUISUNNDWCC-QHCPKHFHSA-N 0 1 468.985 3.642 50 0 JHAAMN COc1cc2c(cc1OC)CN(C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)[C@H](C)C2 ZINC000105371793 569852986 /nfs/dbraw/zinc/85/29/86/569852986.db2.gz HEAXKDZPAXOEMH-IVZAMRJGSA-N 0 1 455.595 3.735 50 0 biogenic JHAAMN COc1ccccc1CCNC(=O)[C@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169681635 569870841 /nfs/dbraw/zinc/87/08/41/569870841.db2.gz HAVGVGQSESOEKU-BDYUSTAISA-N 0 1 455.602 3.917 50 0 JHAAMN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2c1ccc(C)c2C ZINC000230200537 570046037 /nfs/dbraw/zinc/04/60/37/570046037.db2.gz YWKFYZTUKJPRKV-LIYOMKHYSA-N 0 1 479.964 3.705 50 0 JHAAMN CCCCN1C(=O)[C@@H]2[C@H](CC)N[C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C1=O ZINC000245238586 570057655 /nfs/dbraw/zinc/05/76/55/570057655.db2.gz VAEARAFEYFYBKU-BLJFENDVSA-N 0 1 465.981 3.865 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000245246440 570059227 /nfs/dbraw/zinc/05/92/27/570059227.db2.gz LVJWWMCVUALAEJ-JVDWHEDZSA-N 0 1 479.964 3.651 50 0 JHAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC ZINC000245326540 570064768 /nfs/dbraw/zinc/06/47/68/570064768.db2.gz FVRKSQDKSSGVFF-NZQKXSOJSA-N 0 1 460.640 3.706 50 0 JHAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 ZINC000245326847 570064795 /nfs/dbraw/zinc/06/47/95/570064795.db2.gz MEKLBGGNMFECRK-PXDATVDWSA-N 0 1 466.969 3.554 50 0 JHAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 ZINC000245326847 570064797 /nfs/dbraw/zinc/06/47/97/570064797.db2.gz MEKLBGGNMFECRK-PXDATVDWSA-N 0 1 466.969 3.554 50 0 JHAAMN CCC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000245326544 570064972 /nfs/dbraw/zinc/06/49/72/570064972.db2.gz FZCWRTHGQAJSSU-NZQKXSOJSA-N 0 1 478.630 3.892 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000245328578 570065843 /nfs/dbraw/zinc/06/58/43/570065843.db2.gz VJQHKCKUOBNWGP-AZXNSQLWSA-N 0 1 469.463 3.699 50 0 JHAAMN COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(c5ccccc5N(Cc5ccccc5)C4=O)[C@H]3C2=O)cc1 ZINC000248116764 570074356 /nfs/dbraw/zinc/07/43/56/570074356.db2.gz BTOBZXHDANZKDV-HNRABGRISA-N 0 1 493.563 3.721 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2CCCN21 ZINC000248336141 570077887 /nfs/dbraw/zinc/07/78/87/570077887.db2.gz NZYCMCCCVXKSJG-YFUNBVQMSA-N 0 1 451.526 3.888 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JKIKNVRGYDHJII-OAHLLOKOSA-N 0 1 473.624 3.712 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1N1CCOCC1 ZINC000009631763 555461418 /nfs/dbraw/zinc/46/14/18/555461418.db2.gz VWTDFEMAFVRTGH-UHFFFAOYSA-N 0 1 481.574 3.893 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009739346 555470867 /nfs/dbraw/zinc/47/08/67/555470867.db2.gz ZFQIYXCBIGXUDU-UHFFFAOYSA-N 0 1 454.476 3.575 50 0 JHAAMN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 ZINC000019880019 555525262 /nfs/dbraw/zinc/52/52/62/555525262.db2.gz LQJQYHVGMQGFDO-UHFFFAOYSA-N 0 1 479.934 3.944 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(Br)c3)cs2)cc1 ZINC000009828650 555526456 /nfs/dbraw/zinc/52/64/56/555526456.db2.gz OVDHIRPDUXMRBY-UHFFFAOYSA-N 0 1 482.381 3.896 50 0 JHAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1OC ZINC000013805953 555623246 /nfs/dbraw/zinc/62/32/46/555623246.db2.gz DNXXZHCPMYZUJT-LGVFNWMJSA-N 0 1 460.486 3.764 50 0 JHAAMN CC(C)[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000013813433 555628806 /nfs/dbraw/zinc/62/88/06/555628806.db2.gz YYHVMDIZWSYNEJ-OVCNXMPXSA-N 0 1 458.345 3.570 50 0 JHAAMN Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000010219169 555652307 /nfs/dbraw/zinc/65/23/07/555652307.db2.gz UKPROVNOQWAHNC-JOCHJYFZSA-N 0 1 459.612 3.766 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)N(C)C3CCCCC3)cc12 ZINC000020136088 555660350 /nfs/dbraw/zinc/66/03/50/555660350.db2.gz LNBMIPTUDKBCRH-UHFFFAOYSA-N 0 1 451.615 3.805 50 0 JHAAMN COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]2)c1 ZINC000010272556 555666783 /nfs/dbraw/zinc/66/67/83/555666783.db2.gz ZTRJHXWUBUPEBT-UHFFFAOYSA-N 0 1 487.603 3.640 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213987 555708363 /nfs/dbraw/zinc/70/83/63/555708363.db2.gz GEQNCOYZQLXRDJ-JOCHJYFZSA-N 0 1 489.403 3.987 50 0 JHAAMN O=C(CNCCO)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000010435177 555710071 /nfs/dbraw/zinc/71/00/71/555710071.db2.gz HBAZMWBNMRWJAA-AREMUKBSSA-N 0 1 465.557 3.799 50 0 JHAAMN O=S(=O)(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc(F)cc(F)c1 ZINC000014245824 555748500 /nfs/dbraw/zinc/74/85/00/555748500.db2.gz UZVKSUQHBZPVPP-UHFFFAOYSA-N 0 1 450.916 3.594 50 0 JHAAMN COc1cc2c(cc1CN1CCc3nnc(CNC(C)=O)n3CC1)oc(C)c2-c1ccccc1 ZINC000020271661 555748963 /nfs/dbraw/zinc/74/89/63/555748963.db2.gz DOBXSOMBMXLDQJ-UHFFFAOYSA-N 0 1 459.550 3.703 50 0 JHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[nH]c2=O)cc1C ZINC000020355867 555784915 /nfs/dbraw/zinc/78/49/15/555784915.db2.gz RBCUNLTUEMNLIB-UHFFFAOYSA-N 0 1 463.968 3.604 50 0 JHAAMN Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]1 ZINC000020355899 555784977 /nfs/dbraw/zinc/78/49/77/555784977.db2.gz FOTHNINWJYKGHQ-UHFFFAOYSA-N 0 1 471.604 3.939 50 0 JHAAMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Cl ZINC000014333587 555795062 /nfs/dbraw/zinc/79/50/62/555795062.db2.gz ZFHFXSKMMNJPBL-NFBKMPQASA-N 0 1 455.986 3.899 50 0 JHAAMN CN(CCN1C(=O)S/C(=C\c2ccco2)C1=O)CCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000020533401 555804821 /nfs/dbraw/zinc/80/48/21/555804821.db2.gz IETXJOKNIUYFFC-DJTQBEGKSA-N 0 1 483.571 3.984 50 0 JHAAMN C[C@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4cccc5ccccc54)CC3)c2C(N)=O)C1 ZINC000020568843 555822338 /nfs/dbraw/zinc/82/23/38/555822338.db2.gz FWJBLGOCKSKIIN-SFHVURJKSA-N 0 1 476.646 3.881 50 0 JHAAMN COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1c(F)cccc1F)CC2 ZINC000014540956 555831026 /nfs/dbraw/zinc/83/10/26/555831026.db2.gz PEVHENXSKLVRQG-UHFFFAOYSA-N 0 1 487.547 3.809 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2cccc(I)c2)N2CCCC2)cc1 ZINC000015647201 555921901 /nfs/dbraw/zinc/92/19/01/555921901.db2.gz KGSKKNDAVLNOQE-IBGZPJMESA-N 0 1 450.320 3.867 50 0 JHAAMN COc1ccccc1N1CCN(CCCNC(=O)c2noc3c2CSc2ccccc2-3)CC1 ZINC000015674059 555932906 /nfs/dbraw/zinc/93/29/06/555932906.db2.gz DBHASMNHJCCCDD-UHFFFAOYSA-N 0 1 464.591 3.898 50 0 JHAAMN Cc1cc(=O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000012191257 555938431 /nfs/dbraw/zinc/93/84/31/555938431.db2.gz BTZMJCMHPKRMDH-DEOSSOPVSA-N 0 1 487.600 3.700 50 0 JHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)n[nH]2)cc1C ZINC000015680630 555948749 /nfs/dbraw/zinc/94/87/49/555948749.db2.gz YKRDUGOERZLYHG-UHFFFAOYSA-N 0 1 465.000 3.555 50 0 JHAAMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCN(Cc2ccccc2)CC1 ZINC000022917736 555971589 /nfs/dbraw/zinc/97/15/89/555971589.db2.gz QHIZHGQFKVUZFB-UHFFFAOYSA-N 0 1 481.666 3.549 50 0 JHAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000012391340 555974743 /nfs/dbraw/zinc/97/47/43/555974743.db2.gz KLJCTPRPBOWZQG-XMMPIXPASA-N 0 1 457.534 3.875 50 0 JHAAMN O=C1CCSc2ccc(S(=O)(=O)NCC3CCN(Cc4cccc(Cl)c4)CC3)cc2N1 ZINC000015732079 555976041 /nfs/dbraw/zinc/97/60/41/555976041.db2.gz JCIDPJLGUVAKKS-UHFFFAOYSA-N 0 1 480.055 3.965 50 0 JHAAMN CN(C)S(=O)(=O)c1ccc(=S)n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022934505 555986930 /nfs/dbraw/zinc/98/69/30/555986930.db2.gz BIWWFSUJEQVSPH-UHFFFAOYSA-N 0 1 482.675 3.833 50 0 JHAAMN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc21 ZINC000015781411 556000409 /nfs/dbraw/zinc/00/04/09/556000409.db2.gz VCWZBAZWSPLPIP-UHFFFAOYSA-N 0 1 452.598 3.605 50 0 JHAAMN Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c2)cc1 ZINC000023053487 556002579 /nfs/dbraw/zinc/00/25/79/556002579.db2.gz GGWWGAQPIUVVCF-QHCPKHFHSA-N 0 1 451.592 3.699 50 0 JHAAMN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc(N5CCN(C)CC5)nc4)cc3)nc12 ZINC000023078253 556005909 /nfs/dbraw/zinc/00/59/09/556005909.db2.gz WKJQANYSKDDIQD-UHFFFAOYSA-N 0 1 456.550 3.621 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 ZINC000012548571 556026839 /nfs/dbraw/zinc/02/68/39/556026839.db2.gz DLUTZUAELYIVHD-INIZCTEOSA-N 0 1 456.520 3.916 50 0 JHAAMN COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)[nH]n2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860814 556032724 /nfs/dbraw/zinc/03/27/24/556032724.db2.gz NRNUSLCQGYYPRS-UHFFFAOYSA-N 0 1 482.562 3.715 50 0 JHAAMN COc1ccc(CN2CCCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)CC2)cc1 ZINC000023245791 556033625 /nfs/dbraw/zinc/03/36/25/556033625.db2.gz DJUPNAREZMFOGQ-NRFANRHFSA-N 0 1 459.999 3.886 50 0 JHAAMN COc1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)ccc1OCc1c(C)noc1C ZINC000012552250 556034987 /nfs/dbraw/zinc/03/49/87/556034987.db2.gz FHTREVLNSYIZES-UHFFFAOYSA-N 0 1 450.539 3.883 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)[NH+](C)C)cc1 ZINC000012557024 556043808 /nfs/dbraw/zinc/04/38/08/556043808.db2.gz XRAOHCJZJZKLLD-XMMPIXPASA-N 0 1 467.591 3.837 50 0 JHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1 ZINC000015882221 556055578 /nfs/dbraw/zinc/05/55/78/556055578.db2.gz HZQQEJUFCIDHFB-UHFFFAOYSA-N 0 1 454.552 3.952 50 0 JHAAMN COc1ccc(-c2cnc3ncnn3c2N2CCN(C/C=C/c3ccccc3)CC2)cc1OC ZINC000023461936 556072834 /nfs/dbraw/zinc/07/28/34/556072834.db2.gz CRWKAXTYMLQWBV-RMKNXTFCSA-N 0 1 456.550 3.644 50 0 JHAAMN CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000015958518 556089906 /nfs/dbraw/zinc/08/99/06/556089906.db2.gz ZWQFXVINZGDZRP-MSZDEVHKSA-N 0 1 463.603 3.707 50 0 biogenic JHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015969174 556094844 /nfs/dbraw/zinc/09/48/44/556094844.db2.gz WJHHXTHCLJXEMZ-KYALDGGBSA-N 0 1 496.954 3.989 50 0 biogenic JHAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015996947 556103631 /nfs/dbraw/zinc/10/36/31/556103631.db2.gz LFDIDPHFTVIRKW-QLBZUPSYSA-N 0 1 470.356 3.839 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009805 556108570 /nfs/dbraw/zinc/10/85/70/556108570.db2.gz GOOWNQDUXVFLCS-GDNALLQQSA-N 0 1 479.964 3.651 50 0 JHAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]21 ZINC000016032857 556116993 /nfs/dbraw/zinc/11/69/93/556116993.db2.gz KWBXTLWKBVSEDS-MSZDEVHKSA-N 0 1 457.555 3.518 50 0 biogenic JHAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 ZINC000024476099 556132178 /nfs/dbraw/zinc/13/21/78/556132178.db2.gz VGBOTBLHQGBZLL-UHFFFAOYSA-N 0 1 486.041 3.771 50 0 JHAAMN COC(=O)c1cc(NC(=O)CN(Cc2ccc(OC)cc2)[C@H](C)Cc2cccs2)cn1C ZINC000024992551 556171211 /nfs/dbraw/zinc/17/12/11/556171211.db2.gz NRLKVJGLDBXQRA-QGZVFWFLSA-N 0 1 455.580 3.954 50 0 JHAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000013020491 556211469 /nfs/dbraw/zinc/21/14/69/556211469.db2.gz AGMKCKYFGNRINN-GHTZIAJQSA-N 0 1 480.030 3.677 50 0 JHAAMN Cc1cc(NC(=O)COc2cccc(C)c2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1 ZINC000017135463 556221618 /nfs/dbraw/zinc/22/16/18/556221618.db2.gz ZBUCLZQWLZIRTF-UHFFFAOYSA-N 0 1 483.532 3.958 50 0 JHAAMN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccccc1F ZINC000017177844 556232456 /nfs/dbraw/zinc/23/24/56/556232456.db2.gz KARJXXIRUMJJBL-UHFFFAOYSA-N 0 1 452.554 3.830 50 0 JHAAMN COc1ccccc1N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000027746372 556305347 /nfs/dbraw/zinc/30/53/47/556305347.db2.gz FTSWGXYICHLEOT-UHFFFAOYSA-N 0 1 495.601 3.775 50 0 JHAAMN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)C1=O ZINC000018206392 556309609 /nfs/dbraw/zinc/30/96/09/556309609.db2.gz UMSGKXNGFQQPBG-RUZDIDTESA-N 0 1 473.558 3.957 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000013113208 556317152 /nfs/dbraw/zinc/31/71/52/556317152.db2.gz BLWPWUAOASRSCA-LOSJGSFVSA-N 0 1 485.650 3.500 50 0 JHAAMN COc1ccc(-n2ccc(=O)c(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)n2)cc1 ZINC000028292766 556329215 /nfs/dbraw/zinc/32/92/15/556329215.db2.gz HWSXJOVKOFYLMD-HXUWFJFHSA-N 0 1 452.580 3.650 50 0 JHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1 ZINC000028635817 556338645 /nfs/dbraw/zinc/33/86/45/556338645.db2.gz YDEFNUCDVHENJU-UHFFFAOYSA-N 0 1 465.531 3.753 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)N2CCCC2)cc1 ZINC000032780982 556493683 /nfs/dbraw/zinc/49/36/83/556493683.db2.gz BMWVQDWBSZGVLR-QHCPKHFHSA-N 0 1 493.633 3.726 50 0 JHAAMN CCOC(=O)C1C(CN2CCC[C@@H]2c2cccn2C)=NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000032857784 556513138 /nfs/dbraw/zinc/51/31/38/556513138.db2.gz HMKQSWHAHHIPOS-WIYYLYMNSA-N 0 1 474.508 3.635 50 0 JHAAMN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCCCC4)c(=O)c3c2)c1 ZINC000006181340 569588447 /nfs/dbraw/zinc/58/84/47/569588447.db2.gz PAIRPYZFHLWEOX-UHFFFAOYSA-N 0 1 467.591 3.986 50 0 JHAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000008694601 569593331 /nfs/dbraw/zinc/59/33/31/569593331.db2.gz XBXBRAGULDMOJL-AUSIDOKSSA-N 0 1 473.451 3.898 50 0 JHAAMN O=C(CCC1CCCCC1)NCCn1ncc2c1ncnc2N1CCN(Cc2ccccc2)CC1 ZINC000056965551 569593757 /nfs/dbraw/zinc/59/37/57/569593757.db2.gz UKJCEXBLGDFPCN-UHFFFAOYSA-N 0 1 475.641 3.625 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CSCc2nc3ccccc3[nH]2)c1 ZINC000008725250 569600102 /nfs/dbraw/zinc/60/01/02/569600102.db2.gz HQSSWFFKTGKEJE-UHFFFAOYSA-N 0 1 498.586 3.950 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000032975725 569606304 /nfs/dbraw/zinc/60/63/04/569606304.db2.gz DVMJPGJBKMLBGC-RTBURBONSA-N 0 1 456.564 3.788 50 0 JHAAMN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2OC)s1 ZINC000033007904 569615863 /nfs/dbraw/zinc/61/58/63/569615863.db2.gz KSVAGKBIAMFFRT-UHFFFAOYSA-N 0 1 462.553 3.721 50 0 JHAAMN COc1cccc(S(=O)(=O)Nc2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1 ZINC000064580866 569620732 /nfs/dbraw/zinc/62/07/32/569620732.db2.gz AKSMDAQSWHWMMG-UHFFFAOYSA-N 0 1 473.551 3.977 50 0 JHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)C3CCCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034831866 569664333 /nfs/dbraw/zinc/66/43/33/569664333.db2.gz MXELZNPADVZJAA-UHFFFAOYSA-N 0 1 467.658 3.878 50 0 JHAAMN O=C(Cc1ccccc1F)N1CCc2[nH]nc(C(=O)NCc3cccc(C(F)(F)F)c3)c2C1 ZINC000034831952 569664472 /nfs/dbraw/zinc/66/44/72/569664472.db2.gz GGWPATRXYYPDBT-UHFFFAOYSA-N 0 1 460.431 3.625 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3C)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205115 569677804 /nfs/dbraw/zinc/67/78/04/569677804.db2.gz TYFITOWGORPLCX-DEOSSOPVSA-N 0 1 483.012 3.950 50 0 JHAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)cc1OC ZINC000035372902 569683359 /nfs/dbraw/zinc/68/33/59/569683359.db2.gz TYQLCQNPTLIUHG-UHFFFAOYSA-N 0 1 470.570 3.838 50 0 JHAAMN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)C1 ZINC000070003842 569694526 /nfs/dbraw/zinc/69/45/26/569694526.db2.gz LDJZWVYNCCPMFB-GOSISDBHSA-N 0 1 453.568 3.529 50 0 JHAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(C(=O)Nc3nccs3)cc1)CC(=O)N2 ZINC000072406037 569703943 /nfs/dbraw/zinc/70/39/43/569703943.db2.gz MCMOHEVNFIWISZ-CQSZACIVSA-N 0 1 471.506 3.679 50 0 JHAAMN COCCn1cc(C(=O)NC2CCN(Cc3ccc(OC)c(OC)c3)CC2)c2ccccc21 ZINC000079464400 569707424 /nfs/dbraw/zinc/70/74/24/569707424.db2.gz WMGWGYSYQWSROD-UHFFFAOYSA-N 0 1 451.567 3.699 50 0 JHAAMN COc1ccc(-n2[nH]c(C(C)C)c(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)c2=O)cc1 ZINC000035836768 569713486 /nfs/dbraw/zinc/71/34/86/569713486.db2.gz BTHHCJWQLUWAEO-NDENLUEZSA-N 0 1 450.470 3.942 50 0 JHAAMN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000085653423 569714265 /nfs/dbraw/zinc/71/42/65/569714265.db2.gz XCYDDNJPYFDCOE-UHFFFAOYSA-N 0 1 484.509 3.761 50 0 JHAAMN COc1ccccc1CCNC(=O)[C@@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035870525 569718313 /nfs/dbraw/zinc/71/83/13/569718313.db2.gz HAVGVGQSESOEKU-XNMGPUDCSA-N 0 1 455.602 3.917 50 0 JHAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cnn3cccnc23)cc1 ZINC000095474851 569724143 /nfs/dbraw/zinc/72/41/43/569724143.db2.gz UUMACTMJQLJPCJ-OAHLLOKOSA-N 0 1 455.426 3.658 50 0 JHAAMN O=C(CNCCO)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000096012521 569731696 /nfs/dbraw/zinc/73/16/96/569731696.db2.gz PWTDNACJLACDIM-XMMPIXPASA-N 0 1 471.586 3.860 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000035991286 569744312 /nfs/dbraw/zinc/74/43/12/569744312.db2.gz MXUIGXNMCKSBTA-AREMUKBSSA-N 0 1 476.621 3.635 50 0 JHAAMN COCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C[C@@H](O)COCc1ccco1 ZINC000036249938 569758109 /nfs/dbraw/zinc/75/81/09/569758109.db2.gz DSSLINQVGZROPI-OAQYLSRUSA-N 0 1 487.622 3.514 50 0 JHAAMN CCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340849 569764026 /nfs/dbraw/zinc/76/40/26/569764026.db2.gz RROJJTVWABYCSR-HSZRJFAPSA-N 0 1 478.612 3.955 50 0 JHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2C)CC1 ZINC000036345776 569768273 /nfs/dbraw/zinc/76/82/73/569768273.db2.gz JIJPXDBIVRHQJJ-RUZDIDTESA-N 0 1 464.610 3.636 50 0 JHAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)cc1 ZINC000100911693 569775347 /nfs/dbraw/zinc/77/53/47/569775347.db2.gz BHNXZLQXACHZLV-WCWDXBQESA-N 0 1 481.555 3.819 50 0 JHAAMN COCCN1CCN(c2nc3nn(-c4cccc(C)c4)c(N)c3c(-c3ccc(Cl)cc3)n2)CC1 ZINC000037358583 569783806 /nfs/dbraw/zinc/78/38/06/569783806.db2.gz ZXWGIFKWKKVDFQ-UHFFFAOYSA-N 0 1 478.000 3.795 50 0 JHAAMN COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCC[N@H+]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000101497524 569800735 /nfs/dbraw/zinc/80/07/35/569800735.db2.gz KSWPVFMUUOVYTO-INIZCTEOSA-N 0 1 471.627 3.710 50 0 JHAAMN CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)C[C@@H]1c1ccc(Cl)cc1 ZINC000101765478 569804491 /nfs/dbraw/zinc/80/44/91/569804491.db2.gz REZQQDQJBCAZJI-LJQANCHMSA-N 0 1 466.925 3.589 50 0 JHAAMN CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2)cc1 ZINC000039725220 569811112 /nfs/dbraw/zinc/81/11/12/569811112.db2.gz KTTSSWKBAFTPDE-UHFFFAOYSA-N 0 1 457.596 3.684 50 0 JHAAMN Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C(=O)NC2=S)c(C)c1 ZINC000039930581 569812335 /nfs/dbraw/zinc/81/23/35/569812335.db2.gz VVNZDDFELFDGIV-LDADJPATSA-N 0 1 481.555 3.882 50 0 JHAAMN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c1 ZINC000040142756 569817742 /nfs/dbraw/zinc/81/77/42/569817742.db2.gz AULTUNRGAVXGDG-UHFFFAOYSA-N 0 1 498.571 3.738 50 0 JHAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)c1 ZINC000040450369 569828349 /nfs/dbraw/zinc/82/83/49/569828349.db2.gz FVGJIYPKSYBIOQ-UHFFFAOYSA-N 0 1 481.368 3.726 50 0 JHAAMN CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581390 569836371 /nfs/dbraw/zinc/83/63/71/569836371.db2.gz MSWPKETUEDUQGV-NYHFZMIOSA-N 0 1 463.365 3.791 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000105003957 569849474 /nfs/dbraw/zinc/84/94/74/569849474.db2.gz NXBWNZQLVIBNQH-NZQKXSOJSA-N 0 1 478.630 3.890 50 0 JHAAMN COc1ccc([C@H](C)NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(OC)c(Cl)c2)cc1 ZINC000051316631 569850962 /nfs/dbraw/zinc/85/09/62/569850962.db2.gz BTXIUPZYLIEQHQ-ZDUSSCGKSA-N 0 1 499.980 3.749 50 0 JHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(OC)c1OC ZINC000226819991 570038759 /nfs/dbraw/zinc/03/87/59/570038759.db2.gz JWRCGTJYUIJFDO-WMTXJRDZSA-N 0 1 478.476 3.903 50 0 JHAAMN CC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245329653 570066300 /nfs/dbraw/zinc/06/63/00/570066300.db2.gz UXEFLGCRXMHKNJ-SIKLNZKXSA-N 0 1 464.603 3.501 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000248341954 570078082 /nfs/dbraw/zinc/07/80/82/570078082.db2.gz WYVDJKTXZNTTHU-AMZZYFJHSA-N 0 1 451.526 3.888 50 0 JHAAMN CCn1c2ccccc2cc(CN2CCN(Cc3cc4ccccc4n(CC)c3=O)CC2)c1=O ZINC000253400332 570096626 /nfs/dbraw/zinc/09/66/26/570096626.db2.gz DVZHAZLYHWNXAT-UHFFFAOYSA-N 0 1 456.590 3.674 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1Cl ZINC000000665486 193884871 /nfs/dbraw/zinc/88/48/71/193884871.db2.gz AZBNFKYZDMLOCL-UHFFFAOYSA-N 0 1 479.407 3.977 50 0 JHAAMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1OCC(N)=O ZINC000001109894 194027020 /nfs/dbraw/zinc/02/70/20/194027020.db2.gz CJMRNOWKYUCJBD-UHFFFAOYSA-N 0 1 473.938 3.566 50 0 JHAAMN CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)[C@@H]3C(C)C)[nH]c2c1 ZINC000001429029 194119577 /nfs/dbraw/zinc/11/95/77/194119577.db2.gz ASRTWJVSRNCPNC-JOCHJYFZSA-N 0 1 488.635 3.569 50 0 JHAAMN CCC(=O)N[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(Cl)(Cl)Cl ZINC000001449313 194123150 /nfs/dbraw/zinc/12/31/50/194123150.db2.gz MMSMPPMQQXJKMM-LBPRGKRZSA-N 0 1 457.792 3.578 50 0 JHAAMN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000003378379 194308500 /nfs/dbraw/zinc/30/85/00/194308500.db2.gz XGQRTQHLXINLAO-UHFFFAOYSA-N 0 1 455.487 3.741 50 0 JHAAMN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000003495643 194333386 /nfs/dbraw/zinc/33/33/86/194333386.db2.gz UNQLWKGWZJUREV-UHFFFAOYSA-N 0 1 467.448 3.819 50 0 JHAAMN Cc1csc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)n1 ZINC000004101281 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555396893 /nfs/dbraw/zinc/39/68/93/555396893.db2.gz NZIRUCHBBWLPMT-UHFFFAOYSA-N 0 1 459.612 3.880 50 0 JHAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)Nc1cc(F)ccc1F ZINC000009739392 555470860 /nfs/dbraw/zinc/47/08/60/555470860.db2.gz KXXIUNXDBOZCLM-UHFFFAOYSA-N 0 1 464.421 3.700 50 0 JHAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000009739307 555470942 /nfs/dbraw/zinc/47/09/42/555470942.db2.gz MAAWDDJSBNZTIE-UHFFFAOYSA-N 0 1 464.421 3.700 50 0 JHAAMN COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CCN(Cc1cc(C)c(C)cc1C)CC2 ZINC000019840691 555508677 /nfs/dbraw/zinc/50/86/77/555508677.db2.gz YFSWFGFLNCKVHP-UHFFFAOYSA-N 0 1 480.634 3.569 50 0 JHAAMN CCOc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000009796785 555513916 /nfs/dbraw/zinc/51/39/16/555513916.db2.gz JNHOPSYTUDPPJY-UHFFFAOYSA-N 0 1 474.608 3.785 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccccc32)cc1C ZINC000013592079 555526826 /nfs/dbraw/zinc/52/68/26/555526826.db2.gz DBRCBXYGORSSPH-YRIIQKNPSA-N 0 1 490.563 3.952 50 0 JHAAMN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 ZINC000009846184 555545655 /nfs/dbraw/zinc/54/56/55/555545655.db2.gz FZWWFZNNKUHOQW-UHFFFAOYSA-N 0 1 477.428 3.645 50 0 JHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000019929666 555546900 /nfs/dbraw/zinc/54/69/00/555546900.db2.gz ZFUPKUZSQXCRSM-UHFFFAOYSA-N 0 1 495.601 3.889 50 0 JHAAMN C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c([O-])c(Br)c2)N3)C1 ZINC000020101390 555634085 /nfs/dbraw/zinc/63/40/85/555634085.db2.gz HCVLXVPYHUZBNV-AWEZNQCLSA-N 0 1 473.190 3.821 50 0 JHAAMN C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c([O-])c(Br)c2)N3)C1 ZINC000020101390 555634086 /nfs/dbraw/zinc/63/40/86/555634086.db2.gz HCVLXVPYHUZBNV-AWEZNQCLSA-N 0 1 473.190 3.821 50 0 JHAAMN CCCN1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104404 555636836 /nfs/dbraw/zinc/63/68/36/555636836.db2.gz KLOOVIVKNGSCHN-AZGAKELHSA-N 0 1 465.594 3.742 50 0 JHAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccc(Cl)cc1F ZINC000010272424 555665980 /nfs/dbraw/zinc/66/59/80/555665980.db2.gz FTVGMWPPHLXQQC-UHFFFAOYSA-N 0 1 488.349 3.779 50 0 JHAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)[nH]c2=O)cc1 ZINC000010272553 555666706 /nfs/dbraw/zinc/66/67/06/555666706.db2.gz BKAVHZPPCHASAI-UHFFFAOYSA-N 0 1 457.577 3.631 50 0 JHAAMN Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]2)c1C ZINC000010272750 555666990 /nfs/dbraw/zinc/66/69/90/555666990.db2.gz BTTQRWCTSOMCPA-UHFFFAOYSA-N 0 1 463.968 3.604 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000020153764 555672951 /nfs/dbraw/zinc/67/29/51/555672951.db2.gz HJVYJBFGDNZKNW-UHFFFAOYSA-N 0 1 478.641 3.953 50 0 JHAAMN O=S(=O)(c1cccc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1)N1CCOCC1 ZINC000014129155 555698562 /nfs/dbraw/zinc/69/85/62/555698562.db2.gz IYEIVXQMTGKMSF-LJQANCHMSA-N 0 1 457.621 3.697 50 0 JHAAMN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2=O)cc1 ZINC000014137634 555704617 /nfs/dbraw/zinc/70/46/17/555704617.db2.gz RBUYHAQUHVROAJ-XMMPIXPASA-N 0 1 493.520 3.655 50 0 JHAAMN CCOC(=O)C1C(CN(CCOC)Cc2cccs2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214116 555708520 /nfs/dbraw/zinc/70/85/20/555708520.db2.gz GXGUJTCFYSFJRY-FQEVSTJZSA-N 0 1 463.987 3.721 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3F)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214542 555710109 /nfs/dbraw/zinc/71/01/09/555710109.db2.gz GMFWRGWAWJXSKQ-RUZDIDTESA-N 0 1 496.583 3.606 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@H](C)n2c3ccccc3oc2=O)c1 ZINC000014212153 555734350 /nfs/dbraw/zinc/73/43/50/555734350.db2.gz AXSWOHHXZQODKL-HNNXBMFYSA-N 0 1 467.503 3.604 50 0 JHAAMN COc1cccc([C@H](CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)N2CCCC2)c1 ZINC000014246057 555748865 /nfs/dbraw/zinc/74/88/65/555748865.db2.gz YOOIZDYFWCLXBX-DEOSSOPVSA-N 0 1 485.650 3.745 50 0 JHAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCc2cc(=O)n3ccsc3n2)c1 ZINC000011332400 555773523 /nfs/dbraw/zinc/77/35/23/555773523.db2.gz OCSVFIQTDFQKIS-UHFFFAOYSA-N 0 1 469.544 3.531 50 0 JHAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C/C=C/c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412447 555790134 /nfs/dbraw/zinc/79/01/34/555790134.db2.gz OENXBRAOGMLWJQ-OUPQBVNISA-N 0 1 450.623 3.602 50 0 biogenic JHAAMN COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(Cc2c(OC)cccc2OC)CC3)cc1 ZINC000014530947 555818066 /nfs/dbraw/zinc/81/80/66/555818066.db2.gz WPLRZGACNLXSJZ-UHFFFAOYSA-N 0 1 495.620 3.962 50 0 JHAAMN CCOC(=O)C1CCC(CNC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)CC1 ZINC000020574565 555829177 /nfs/dbraw/zinc/82/91/77/555829177.db2.gz SAFAZEYRZVFVES-UHFFFAOYSA-N 0 1 467.614 3.786 50 0 JHAAMN COC(=O)c1ccc([C@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000011859647 555839258 /nfs/dbraw/zinc/83/92/58/555839258.db2.gz TVMHIMKEVYLVGY-VJBWXMMDSA-N 0 1 458.470 3.533 50 0 JHAAMN CCOc1ccccc1CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000020600201 555841840 /nfs/dbraw/zinc/84/18/40/555841840.db2.gz BUACNXXSSFPFFM-FQEVSTJZSA-N 0 1 451.571 3.845 50 0 JHAAMN CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000020645519 555846977 /nfs/dbraw/zinc/84/69/77/555846977.db2.gz XOZVHZIYBBRVLC-SFHVURJKSA-N 0 1 456.999 3.601 50 0 JHAAMN COc1ccc2ccccc2c1CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000015003259 555848288 /nfs/dbraw/zinc/84/82/88/555848288.db2.gz ZUJGHDBCAGOMRT-UHFFFAOYSA-N 0 1 487.579 3.539 50 0 JHAAMN COC(=O)c1cc(CNC(=O)Cc2ccsc2)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000011912306 555860629 /nfs/dbraw/zinc/86/06/29/555860629.db2.gz KLQXQTSKVOFZKT-UHFFFAOYSA-N 0 1 478.979 3.848 50 0 JHAAMN CSc1ccc(C[C@@]2(CCC(=O)NCCc3nnc(-c4ccccc4)[nH]3)CCC(=O)N2)cc1 ZINC000011980391 555876580 /nfs/dbraw/zinc/87/65/80/555876580.db2.gz VBPYIEPLPSQODV-RUZDIDTESA-N 0 1 463.607 3.524 50 0 JHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1[C@@H]1CCS(=O)(=O)C1 ZINC000012062493 555899977 /nfs/dbraw/zinc/89/99/77/555899977.db2.gz ALXKMRGFDAXFSM-ODXCJYRJSA-N 0 1 478.357 3.821 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCCn2c3ccccc3oc2=O)c1 ZINC000015432752 555908430 /nfs/dbraw/zinc/90/84/30/555908430.db2.gz HNHNUTLZZCVQMM-UHFFFAOYSA-N 0 1 481.530 3.823 50 0 JHAAMN CCCc1cc(CN(C)C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)n[nH]1 ZINC000012241660 555945604 /nfs/dbraw/zinc/94/56/04/555945604.db2.gz GVLRRBXLKUZSCT-RUZDIDTESA-N 0 1 464.591 3.669 50 0 JHAAMN COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n[nH]2)cc1 ZINC000015680561 555948321 /nfs/dbraw/zinc/94/83/21/555948321.db2.gz LRNKUMGUYCLGQQ-UHFFFAOYSA-N 0 1 482.606 3.530 50 0 JHAAMN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)CC1 ZINC000015680646 555948954 /nfs/dbraw/zinc/94/89/54/555948954.db2.gz HEDYOKSGTFUNKN-UHFFFAOYSA-N 0 1 488.997 3.502 50 0 JHAAMN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCC3CCN(Cc4ccccc4F)CC3)ccc2S1 ZINC000015730967 555973092 /nfs/dbraw/zinc/97/30/92/555973092.db2.gz ONANYXZTGGNYRE-INIZCTEOSA-N 0 1 477.627 3.839 50 0 JHAAMN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000012391243 555974271 /nfs/dbraw/zinc/97/42/71/555974271.db2.gz CRODLNHZCDQGIX-DEOSSOPVSA-N 0 1 457.534 3.875 50 0 JHAAMN Cc1ccccc1[C@@H](OC[C@@H](O)CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)c1ccccc1 ZINC000022933878 555986605 /nfs/dbraw/zinc/98/66/05/555986605.db2.gz RQVMTNHOAKTURR-OUTSHDOLSA-N 0 1 498.627 3.516 50 0 JHAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773993 555992354 /nfs/dbraw/zinc/99/23/54/555992354.db2.gz VGPMDPDTSBKPRR-HHHXNRCGSA-N 0 1 486.591 3.726 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)c(OC)c1 ZINC000015781342 556000416 /nfs/dbraw/zinc/00/04/16/556000416.db2.gz DMYDHUFSLYZELG-UHFFFAOYSA-N 0 1 494.616 3.708 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(COC(C)=O)cc2)c1 ZINC000012532510 556003023 /nfs/dbraw/zinc/00/30/23/556003023.db2.gz VYIFKDKQLVGPFR-UHFFFAOYSA-N 0 1 454.504 3.811 50 0 JHAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000023055240 556003220 /nfs/dbraw/zinc/00/32/20/556003220.db2.gz QQQYENIRZKYDTA-JOCHJYFZSA-N 0 1 459.612 3.810 50 0 JHAAMN CCN1CCN([C@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000023086524 556007840 /nfs/dbraw/zinc/00/78/40/556007840.db2.gz FPHJWOUKJXMTMG-XMMPIXPASA-N 0 1 452.986 3.686 50 0 JHAAMN CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000023228123 556032413 /nfs/dbraw/zinc/03/24/13/556032413.db2.gz NOCYWZRSGRKAGR-ULCRDSCMSA-N 0 1 450.627 3.584 50 0 JHAAMN COc1ccc(CN2CCCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC2)cc1 ZINC000023245793 556033678 /nfs/dbraw/zinc/03/36/78/556033678.db2.gz DJUPNAREZMFOGQ-OAQYLSRUSA-N 0 1 459.999 3.886 50 0 JHAAMN O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012560980 556053728 /nfs/dbraw/zinc/05/37/28/556053728.db2.gz YURQVCAFNBWRTL-UHFFFAOYSA-N 0 1 488.431 3.966 50 0 JHAAMN CCCN1CCN(C(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc43)CC2)CC1 ZINC000015942918 556078285 /nfs/dbraw/zinc/07/82/85/556078285.db2.gz LKHGXMLMGBKKAZ-UHFFFAOYSA-N 0 1 475.641 3.511 50 0 JHAAMN CCOC(=O)C1C(COC(=O)[C@H](C)Oc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000023819848 556090062 /nfs/dbraw/zinc/09/00/62/556090062.db2.gz QEGUTEUPDZWELZ-XOBRGWDASA-N 0 1 458.898 3.522 50 0 JHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015959323 556091039 /nfs/dbraw/zinc/09/10/39/556091039.db2.gz JIKUHQOEAPZIEI-IMBSWCNGSA-N 0 1 496.954 3.989 50 0 biogenic JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967659 556093908 /nfs/dbraw/zinc/09/39/08/556093908.db2.gz GJHUCIUAAVMMTF-ZRIOWSNCSA-N 0 1 479.580 3.509 50 0 biogenic JHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969084 556095031 /nfs/dbraw/zinc/09/50/31/556095031.db2.gz GQWZWBHCJPUACB-MVPDCNEZSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001911 556107251 /nfs/dbraw/zinc/10/72/51/556107251.db2.gz KEQYJSODVIVFTK-YDLHNXBPSA-N 0 1 469.463 3.753 50 0 JHAAMN COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C(=O)[C@@H]23)c1 ZINC000016011920 556111077 /nfs/dbraw/zinc/11/10/77/556111077.db2.gz JKERCTWJTQUDMW-RDJZCZTQSA-N 0 1 454.788 3.669 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012402 556111246 /nfs/dbraw/zinc/11/12/46/556111246.db2.gz UPIKDCJCONVHFT-NLJXWPIHSA-N 0 1 451.526 3.833 50 0 JHAAMN COc1cccc([C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)N(C)C)c1 ZINC000012819717 556115548 /nfs/dbraw/zinc/11/55/48/556115548.db2.gz DPVQTPHGUIRCED-VGSWGCGISA-N 0 1 494.057 3.802 50 0 JHAAMN COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000024601923 556137934 /nfs/dbraw/zinc/13/79/34/556137934.db2.gz YLELPKNCEJLKSB-FQEVSTJZSA-N 0 1 487.647 3.610 50 0 JHAAMN CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2)c1C ZINC000024823768 556156813 /nfs/dbraw/zinc/15/68/13/556156813.db2.gz WCHDMFGFWKEUKZ-DEOSSOPVSA-N 0 1 476.577 3.933 50 0 JHAAMN C[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012987489 556181795 /nfs/dbraw/zinc/18/17/95/556181795.db2.gz FOIOPALOOCWYCA-HXUWFJFHSA-N 0 1 479.602 3.664 50 0 JHAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1 ZINC000017012652 556202701 /nfs/dbraw/zinc/20/27/01/556202701.db2.gz VIBJHDRKFKRUFQ-UHFFFAOYSA-N 0 1 487.670 3.592 50 0 JHAAMN CCN(CC)C(=O)CN1CCCN(c2nc(CN3CCC(C)CC3)nc3sc(C)c(C)c32)CC1 ZINC000013013160 556204522 /nfs/dbraw/zinc/20/45/22/556204522.db2.gz PQLAEYDVLHFWCK-UHFFFAOYSA-N 0 1 486.730 3.921 50 0 JHAAMN CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)C(C)C ZINC000025258372 556206414 /nfs/dbraw/zinc/20/64/14/556206414.db2.gz XOTHEGATXMRNBW-XMMPIXPASA-N 0 1 452.599 3.539 50 0 JHAAMN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1cccs1 ZINC000025540966 556219666 /nfs/dbraw/zinc/21/96/66/556219666.db2.gz KVQHKWWEQKJXEO-OAQYLSRUSA-N 0 1 455.605 3.532 50 0 JHAAMN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1 ZINC000017135713 556222614 /nfs/dbraw/zinc/22/26/14/556222614.db2.gz IJBIPVDWAAUNHU-UHFFFAOYSA-N 0 1 471.496 3.952 50 0 JHAAMN CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+](C)C)cc2)cc1 ZINC000017913425 556271410 /nfs/dbraw/zinc/27/14/10/556271410.db2.gz WIFVUDLLHUSSCS-RUZDIDTESA-N 0 1 497.617 3.927 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1N1CCOCC1 ZINC000013102337 556303276 /nfs/dbraw/zinc/30/32/76/556303276.db2.gz HRPGPJQBRARAQB-SDNWHVSQSA-N 0 1 493.585 3.985 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000032667991 556467292 /nfs/dbraw/zinc/46/72/92/556467292.db2.gz ITLWJFFSHOLFDD-UHFFFAOYSA-N 0 1 495.509 3.973 50 0 JHAAMN CN(C)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccc(F)c1 ZINC000032732574 556477315 /nfs/dbraw/zinc/47/73/15/556477315.db2.gz KLOOGRFGFMDAEF-HXUWFJFHSA-N 0 1 467.994 3.686 50 0 JHAAMN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCC4)c(=O)c3c2)c1 ZINC000008583251 562940105 /nfs/dbraw/zinc/94/01/05/562940105.db2.gz JVIVVFKPPBFQRM-UHFFFAOYSA-N 0 1 453.564 3.642 50 0 JHAAMN CC(C)c1ccc(NC(=O)[C@H]2CCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(F)(F)F)cc1 ZINC000057270881 569595264 /nfs/dbraw/zinc/59/52/64/569595264.db2.gz MKKCJCRPBOPXRZ-VQTJNVASSA-N 0 1 461.484 3.639 50 0 JHAAMN CCn1c2c(C(=O)Nc3cc(C)cc(C)c3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835934 569636473 /nfs/dbraw/zinc/63/64/73/569636473.db2.gz NNBNYKZFULBXQB-UHFFFAOYSA-N 0 1 455.562 3.943 50 0 JHAAMN CCn1c2c(C(=O)Nc3ccc(F)cc3C)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835959 569636762 /nfs/dbraw/zinc/63/67/62/569636762.db2.gz OPAOLPDCOQVMDU-UHFFFAOYSA-N 0 1 459.525 3.774 50 0 JHAAMN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(Br)cc1OC ZINC000064837187 569636925 /nfs/dbraw/zinc/63/69/25/569636925.db2.gz SKWIVBUOKFNMQF-UHFFFAOYSA-N 0 1 464.341 3.571 50 0 JHAAMN Cc1nc2cc(C(=O)NCCCN3CCN(c4ccccc4)CC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859455 569639175 /nfs/dbraw/zinc/63/91/75/569639175.db2.gz QUVZQBOAHCSEIP-UHFFFAOYSA-N 0 1 495.627 3.695 50 0 JHAAMN CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c1)NC(=O)CCC2=O ZINC000065011163 569648342 /nfs/dbraw/zinc/64/83/42/569648342.db2.gz NLVXWMOBSBVYJM-UHFFFAOYSA-N 0 1 498.561 3.693 50 0 JHAAMN CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025200 569650310 /nfs/dbraw/zinc/65/03/10/569650310.db2.gz LKIPFLBBLOBUIG-IBGZPJMESA-N 0 1 499.681 3.868 50 0 JHAAMN CCCCOc1ccc(-c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[n-]2)cc1 ZINC000034763276 569658079 /nfs/dbraw/zinc/65/80/79/569658079.db2.gz WWNFWXAJCJPMFV-UHFFFAOYSA-N 0 1 475.593 3.700 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)sc2C)cc1Cl ZINC000065116614 569666526 /nfs/dbraw/zinc/66/65/26/569666526.db2.gz WZIZWBPYPWPVER-UHFFFAOYSA-N 0 1 482.971 3.805 50 0 JHAAMN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000034932964 569673617 /nfs/dbraw/zinc/67/36/17/569673617.db2.gz VBOUULKOZMISLT-UHFFFAOYSA-N 0 1 453.524 3.658 50 0 JHAAMN CCOC(=O)C1C(CN2CCC(NC(=O)OC(C)(C)C)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000067204747 569677400 /nfs/dbraw/zinc/67/74/00/569677400.db2.gz FYMKAYCIMRLEFJ-FQEVSTJZSA-N 0 1 493.004 3.500 50 0 JHAAMN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccccc32)c1 ZINC000035375709 569684489 /nfs/dbraw/zinc/68/44/89/569684489.db2.gz MZAONZCUZAGVBI-CPBHOCDRSA-N 0 1 490.563 3.952 50 0 JHAAMN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccccc32)c1 ZINC000035375706 569684605 /nfs/dbraw/zinc/68/46/05/569684605.db2.gz MZAONZCUZAGVBI-YRIIQKNPSA-N 0 1 490.563 3.952 50 0 JHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)nc(N2CCOCC2)n1 ZINC000067613290 569688789 /nfs/dbraw/zinc/68/87/89/569688789.db2.gz ISMYHEFRAAWHPC-UHFFFAOYSA-N 0 1 484.910 3.648 50 0 JHAAMN O=C([O-])c1cnc(N2CCC(CC[NH+]3CCCCC3)CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000035397923 569688876 /nfs/dbraw/zinc/68/88/76/569688876.db2.gz VISAJNQTRMJVKM-UHFFFAOYSA-N 0 1 472.611 3.673 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3C)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067689680 569690158 /nfs/dbraw/zinc/69/01/58/569690158.db2.gz CEOWDSLVEGXUTC-AREMUKBSSA-N 0 1 492.620 3.695 50 0 JHAAMN CCCN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)C1=O ZINC000095474204 569724052 /nfs/dbraw/zinc/72/40/52/569724052.db2.gz ZLOVMPBVVZAZAB-JOCHJYFZSA-N 0 1 462.901 3.535 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991367 569744495 /nfs/dbraw/zinc/74/44/95/569744495.db2.gz UVCUUMZZNMTFPG-HXUWFJFHSA-N 0 1 469.413 3.534 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\c2ccco2)ccc1N1CCOCC1 ZINC000097986599 569748566 /nfs/dbraw/zinc/74/85/66/569748566.db2.gz ZSWPAPZRSCKWPI-LUAWRHEFSA-N 0 1 483.546 3.578 50 0 JHAAMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000036390912 569774483 /nfs/dbraw/zinc/77/44/83/569774483.db2.gz NTUZKGDSMRGZOC-UHFFFAOYSA-N 0 1 458.277 3.672 50 0 JHAAMN O[C@@H](Cc1ccccc1)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249726 569757922 /nfs/dbraw/zinc/75/79/22/569757922.db2.gz SCIPOAUJWXGNCN-DQEYMECFSA-N 0 1 495.595 3.902 50 0 JHAAMN COCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C[C@@H](O)COCc1ccccc1 ZINC000036249934 569758085 /nfs/dbraw/zinc/75/80/85/569758085.db2.gz MOPPMQJMGXLSTR-XMMPIXPASA-N 0 1 497.661 3.921 50 0 JHAAMN Cc1[nH]c(SCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nc1Cc1ccccc1 ZINC000036386082 569774145 /nfs/dbraw/zinc/77/41/45/569774145.db2.gz ALEHDEUYPDCSEL-UHFFFAOYSA-N 0 1 491.661 3.801 50 0 JHAAMN CC(C)(C)CC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000037277330 569782313 /nfs/dbraw/zinc/78/23/13/569782313.db2.gz YSMNUQUXUHDFOS-UHFFFAOYSA-N 0 1 454.659 3.908 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000101410197 569796910 /nfs/dbraw/zinc/79/69/10/569796910.db2.gz FHIXKGYRGKAFAC-FDGPYGQJSA-N 0 1 469.463 3.551 50 0 JHAAMN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000101629157 569802037 /nfs/dbraw/zinc/80/20/37/569802037.db2.gz HMJKZZGUZISHIX-ROUUACIJSA-N 0 1 460.527 3.619 50 0 JHAAMN O=C(Nc1ccc2c(c1)OCCO2)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828754 569805497 /nfs/dbraw/zinc/80/54/97/569805497.db2.gz YINXSJQIEJZHJK-UHFFFAOYSA-N 0 1 456.433 3.981 50 0 JHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(OC)cc(OC)c2)c1 ZINC000040312494 569823927 /nfs/dbraw/zinc/82/39/27/569823927.db2.gz GAUQUKOLIPYLCC-QFIPXVFZSA-N 0 1 450.495 3.702 50 0 biogenic JHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cc(OC)cc(OC)c2)c1 ZINC000040312497 569823931 /nfs/dbraw/zinc/82/39/31/569823931.db2.gz GAUQUKOLIPYLCC-JOCHJYFZSA-N 0 1 450.495 3.702 50 0 biogenic JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COC(C)C ZINC000105003380 569849329 /nfs/dbraw/zinc/84/93/29/569849329.db2.gz QLUWLHXIEHHEKB-RBBKRZOGSA-N 0 1 490.666 3.759 50 0 JHAAMN O=C(CN[C@H](CN1CCOCC1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000049600807 569849583 /nfs/dbraw/zinc/84/95/83/569849583.db2.gz WSMRWWIUQMLPED-MUUNZHRXSA-N 0 1 457.618 3.988 50 0 JHAAMN CCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316781 569851217 /nfs/dbraw/zinc/85/12/17/569851217.db2.gz SCHPOPMMOURENM-UHFFFAOYSA-N 0 1 457.462 3.517 50 0 JHAAMN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000169620957 569868417 /nfs/dbraw/zinc/86/84/17/569868417.db2.gz TVMHIMKEVYLVGY-DNVJHFABSA-N 0 1 458.470 3.533 50 0 JHAAMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229897282 570041948 /nfs/dbraw/zinc/04/19/48/570041948.db2.gz SQXMXBQFMSZHIC-FBAVSBLXSA-N 0 1 475.854 3.790 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000245309431 570063049 /nfs/dbraw/zinc/06/30/49/570063049.db2.gz CTJUCMWBVGATGH-VOFKYMGDSA-N 0 1 479.964 3.503 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@H]1[C@H]1CCCN12 ZINC000245309431 570063050 /nfs/dbraw/zinc/06/30/50/570063050.db2.gz CTJUCMWBVGATGH-VOFKYMGDSA-N 0 1 479.964 3.503 50 0 JHAAMN Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3ccc(O)cc3)C2)c(=O)o1 ZINC000252537560 570083215 /nfs/dbraw/zinc/08/32/15/570083215.db2.gz LOJJOKUWKKQPED-FQEVSTJZSA-N 0 1 456.458 3.922 50 0 JHAAMN COc1cc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c(O)cc(C)oc2=O)c(OC)c2c1OCO2 ZINC000253470764 570098999 /nfs/dbraw/zinc/09/89/99/570098999.db2.gz CUIJYDQMFAXMFH-OAHLLOKOSA-N 0 1 471.437 3.700 50 0 JHAAMN COc1cccc(NC(=O)C[C@@H](c2cc(OC)c3c(c2OC)OCO3)c2c(O)cc(C)oc2=O)c1 ZINC000253470725 570099007 /nfs/dbraw/zinc/09/90/07/570099007.db2.gz BLOKNNPYDBXJCV-INIZCTEOSA-N 0 1 483.473 3.569 50 0 JHAAMN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000001114650 194028995 /nfs/dbraw/zinc/02/89/95/194028995.db2.gz NNYVULZEFKSQNE-NYYWCZLTSA-N 0 1 459.325 3.692 50 0 JHAAMN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1 ZINC000001141845 194045177 /nfs/dbraw/zinc/04/51/77/194045177.db2.gz BBHZHXWDVGMECT-UHFFFAOYSA-N 0 1 492.575 3.704 50 0 JHAAMN CC(=O)N1CCOc2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(Cl)cc21 ZINC000003027899 194211912 /nfs/dbraw/zinc/21/19/12/194211912.db2.gz YLPMHMSKKSSKPM-UHFFFAOYSA-N 0 1 459.749 3.957 50 0 JHAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1OCC ZINC000009184773 194581796 /nfs/dbraw/zinc/58/17/96/194581796.db2.gz JXFWVXKLNATVPV-XMMPIXPASA-N 0 1 451.523 3.734 50 0 JHAAMN CCOc1cc2c(cc1CNCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)O[C@@H](C)C2 ZINC000012690762 195088176 /nfs/dbraw/zinc/08/81/76/195088176.db2.gz KAAXIMSLPKXLMR-ROUUACIJSA-N 0 1 456.583 3.953 50 0 JHAAMN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)ccc2Cl)C1 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CC[NH+](CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000008826176 554715434 /nfs/dbraw/zinc/71/54/34/554715434.db2.gz KEJFVEJAAQCPLJ-UHFFFAOYSA-N 0 1 488.393 3.564 50 0 JHAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008845469 554742823 /nfs/dbraw/zinc/74/28/23/554742823.db2.gz SZCCGIMVGIQVRU-DEOSSOPVSA-N 0 1 472.501 3.949 50 0 JHAAMN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000008862285 554759930 /nfs/dbraw/zinc/75/99/30/554759930.db2.gz CYPQGQCDMZYWHX-UHFFFAOYSA-N 0 1 488.525 3.526 50 0 JHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000008916568 554810965 /nfs/dbraw/zinc/81/09/65/554810965.db2.gz PCCNYVOXIWKAKV-QFIPXVFZSA-N 0 1 454.504 3.583 50 0 JHAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)[nH]n2)c1 ZINC000009124325 554915547 /nfs/dbraw/zinc/91/55/47/554915547.db2.gz KBPKOOJFWCCQSF-MRXNPFEDSA-N 0 1 454.552 3.906 50 0 JHAAMN 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ZINC000009642614 555355302 /nfs/dbraw/zinc/35/53/02/555355302.db2.gz QFQUQJLABMAJQB-JOCHJYFZSA-N 0 1 491.500 3.687 50 0 JHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)n1C ZINC000009685156 555413887 /nfs/dbraw/zinc/41/38/87/555413887.db2.gz GDQZMYRDSHQJIW-UHFFFAOYSA-N 0 1 454.390 3.831 50 0 JHAAMN COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009631582 555460761 /nfs/dbraw/zinc/46/07/61/555460761.db2.gz SFPAMFRSWTXZRJ-GOSISDBHSA-N 0 1 497.548 3.622 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)N2CCCC2)cc1 ZINC000009739795 555471395 /nfs/dbraw/zinc/47/13/95/555471395.db2.gz FRKDJSJCFKLVHB-VWLOTQADSA-N 0 1 468.557 3.961 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000009742352 555473844 /nfs/dbraw/zinc/47/38/44/555473844.db2.gz MNRHAPQXKJRGPR-INIZCTEOSA-N 0 1 456.520 3.911 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013591772 555526475 /nfs/dbraw/zinc/52/64/75/555526475.db2.gz FJNXKKSNEWSWGE-CPBHOCDRSA-N 0 1 490.563 3.952 50 0 JHAAMN Cc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000013592632 555527445 /nfs/dbraw/zinc/52/74/45/555527445.db2.gz HCAXZNVTTPBCCR-HNFJUSDZSA-N 0 1 476.536 3.644 50 0 JHAAMN CN(C)CCCNc1oc(-c2cccc(Cl)c2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013683981 555577882 /nfs/dbraw/zinc/57/78/82/555577882.db2.gz WGQYZWOPKHTLEO-UHFFFAOYSA-N 0 1 477.970 3.963 50 0 JHAAMN CC(C)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000013815603 555629298 /nfs/dbraw/zinc/62/92/98/555629298.db2.gz DTMMRGKUCSLGOK-XWQURZDVSA-N 0 1 458.345 3.570 50 0 JHAAMN C[C@@H](NCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000014183666 555725162 /nfs/dbraw/zinc/72/51/62/555725162.db2.gz OGLKKOORJUTMCZ-JPYJTQIMSA-N 0 1 450.560 3.908 50 0 JHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NCc5ccccn5)cc4)c3=O)c2c1 ZINC000020331170 555776098 /nfs/dbraw/zinc/77/60/98/555776098.db2.gz KRQUKVGSWNGGCP-UHFFFAOYSA-N 0 1 471.542 3.922 50 0 JHAAMN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014534982 555823630 /nfs/dbraw/zinc/82/36/30/555823630.db2.gz VWGAYQUYTZMFHA-UHFFFAOYSA-N 0 1 463.607 3.943 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000020572382 555824207 /nfs/dbraw/zinc/82/42/07/555824207.db2.gz NWUKDWPMLUHLRC-GBXYDCMPSA-N 0 1 494.526 3.783 50 0 JHAAMN CCn1c(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000022014959 555862048 /nfs/dbraw/zinc/86/20/48/555862048.db2.gz NNUWHFZHMSKDPM-UHFFFAOYSA-N 0 1 484.622 3.980 50 0 JHAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)[nH]n2)c(O)c1 ZINC000011913753 555863785 /nfs/dbraw/zinc/86/37/85/555863785.db2.gz JUIXAXAVKGZLDS-UHFFFAOYSA-N 0 1 454.552 3.764 50 0 JHAAMN COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cccc(F)c3)C2)c(OC)c1OC ZINC000015070846 555870525 /nfs/dbraw/zinc/87/05/25/555870525.db2.gz KZHFWGINBGVPSS-KNQAVFIVSA-N 0 1 456.558 3.907 50 0 JHAAMN Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 ZINC000012140784 555919484 /nfs/dbraw/zinc/91/94/84/555919484.db2.gz FTLKDDYIYKOYHW-UHFFFAOYSA-N 0 1 472.636 3.598 50 0 JHAAMN Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)n2C ZINC000015681839 555951260 /nfs/dbraw/zinc/95/12/60/555951260.db2.gz QZJGGVXJRPVTAC-UHFFFAOYSA-N 0 1 491.611 3.695 50 0 JHAAMN COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012369361 555961334 /nfs/dbraw/zinc/96/13/34/555961334.db2.gz JKSULBQNGLIACU-UHFFFAOYSA-N 0 1 472.438 3.883 50 0 JHAAMN COC(=O)c1ccc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022916713 555970702 /nfs/dbraw/zinc/97/07/02/555970702.db2.gz PMRYANWRESAJAB-RUZDIDTESA-N 0 1 460.574 3.620 50 0 JHAAMN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(=O)n(-c5ccc(C)c(C)c5)n4)CC3)n[nH]2)cc1 ZINC000015730192 555971428 /nfs/dbraw/zinc/97/14/28/555971428.db2.gz CEJOPXNWZQPEPV-UHFFFAOYSA-N 0 1 482.588 3.764 50 0 JHAAMN COc1ccccc1CN1CCC(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)CC1 ZINC000015731219 555974411 /nfs/dbraw/zinc/97/44/11/555974411.db2.gz NCUYXXLEKODMGJ-KRWDZBQOSA-N 0 1 489.663 3.566 50 0 JHAAMN COc1cc2c(cc1OC)CN(C(=O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)CC2 ZINC000022931961 555984883 /nfs/dbraw/zinc/98/48/83/555984883.db2.gz XFOAOTANMSXEBR-UHFFFAOYSA-N 0 1 485.628 3.996 50 0 JHAAMN Cc1nn2c(ncc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c2C)c1-c1cccc(C)c1 ZINC000022937385 555990682 /nfs/dbraw/zinc/99/06/82/555990682.db2.gz RXKBVHQAYDAGSC-UHFFFAOYSA-N 0 1 482.632 3.869 50 0 JHAAMN COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000012526321 555994814 /nfs/dbraw/zinc/99/48/14/555994814.db2.gz NHCILWCCBOHEKL-UHFFFAOYSA-N 0 1 479.602 3.890 50 0 JHAAMN COc1ccc(Cn2c(C)cc(O)c([C@H](c3cccc(Cl)c3)N3CCN(C)CC3)c2=O)cc1 ZINC000023086467 556007337 /nfs/dbraw/zinc/00/73/37/556007337.db2.gz CBQMQUHQAOGAQK-VWLOTQADSA-N 0 1 467.997 3.909 50 0 JHAAMN CCN1CCC(N(Cc2cccs2)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 ZINC000015822405 556010483 /nfs/dbraw/zinc/01/04/83/556010483.db2.gz HAEXXDGRIDQLGA-UHFFFAOYSA-N 0 1 461.653 3.677 50 0 JHAAMN COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)n[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860824 556032759 /nfs/dbraw/zinc/03/27/59/556032759.db2.gz XOKDBTOFEOSZHQ-UHFFFAOYSA-N 0 1 468.579 3.532 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000012560667 556053047 /nfs/dbraw/zinc/05/30/47/556053047.db2.gz YMGFYWXWRIKQEU-MRXNPFEDSA-N 0 1 468.531 3.758 50 0 JHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015959325 556091112 /nfs/dbraw/zinc/09/11/12/556091112.db2.gz JIKUHQOEAPZIEI-DFIMXKNXSA-N 0 1 496.954 3.989 50 0 biogenic JHAAMN COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)N2CCCC2)cc1 ZINC000023844914 556091138 /nfs/dbraw/zinc/09/11/38/556091138.db2.gz FBIDBGAOMHKHHR-NRFANRHFSA-N 0 1 477.531 3.778 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959273 556091167 /nfs/dbraw/zinc/09/11/67/556091167.db2.gz FKJSGNLOBVBLTD-ZRIOWSNCSA-N 0 1 479.580 3.509 50 0 biogenic JHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](C(C)C)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016011456 556110260 /nfs/dbraw/zinc/11/02/60/556110260.db2.gz MXKFEDHXEOFVAP-YBJWPOLQSA-N 0 1 472.372 3.878 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012230 556111313 /nfs/dbraw/zinc/11/13/13/556111313.db2.gz RDYQNMPUQMWPOL-UAKAABGRSA-N 0 1 470.356 3.987 50 0 JHAAMN CCCN(Cc1nnc(-c2cccs2)o1)CC1=NC(=O)N[C@H](c2cccs2)C1C(=O)OCC ZINC000023990171 556114404 /nfs/dbraw/zinc/11/44/04/556114404.db2.gz RLDNBTPGAXPFHM-LJQANCHMSA-N 0 1 487.607 3.943 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Nc3ncccn3)c2)c1 ZINC000024841524 556160252 /nfs/dbraw/zinc/16/02/52/556160252.db2.gz RENZMMQNBVCIMP-UHFFFAOYSA-N 0 1 491.529 3.988 50 0 JHAAMN C[C@@H](NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 ZINC000012993062 556185071 /nfs/dbraw/zinc/18/50/71/556185071.db2.gz UYDYTRUESKJMFH-GOSISDBHSA-N 0 1 463.578 3.822 50 0 JHAAMN Cc1ccc(N2C(=O)N(CC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)C(=O)[C@H]2C)cc1 ZINC000012998807 556191555 /nfs/dbraw/zinc/19/15/55/556191555.db2.gz MASAUPFWIJNRDW-GCJKJVERSA-N 0 1 468.985 3.759 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)cc2OC)c1 ZINC000025260235 556206497 /nfs/dbraw/zinc/20/64/97/556206497.db2.gz RIIRTRGAVVKXAU-UHFFFAOYSA-N 0 1 486.546 3.839 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000025819707 556237240 /nfs/dbraw/zinc/23/72/40/556237240.db2.gz DEKDODJLBBYQQW-QHCPKHFHSA-N 0 1 468.985 3.642 50 0 JHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(F)cc3)[nH]c2=O)cc1 ZINC000017271359 556249762 /nfs/dbraw/zinc/24/97/62/556249762.db2.gz LZENRMRMAHUGAA-UHFFFAOYSA-N 0 1 489.594 3.905 50 0 JHAAMN CCOC(=O)C1CCN([C@@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000017296933 556252164 /nfs/dbraw/zinc/25/21/64/556252164.db2.gz DUKMPIYGGSGDCN-QHCPKHFHSA-N 0 1 474.623 3.595 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 ZINC000026739000 556260138 /nfs/dbraw/zinc/26/01/38/556260138.db2.gz VXJMVHCVVAXUCI-UHFFFAOYSA-N 0 1 495.561 3.655 50 0 JHAAMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000013096353 556290519 /nfs/dbraw/zinc/29/05/19/556290519.db2.gz OIKFHZVBJZKWTP-MRXNPFEDSA-N 0 1 451.539 3.737 50 0 JHAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)c(OC)c1OC ZINC000018176586 556298362 /nfs/dbraw/zinc/29/83/62/556298362.db2.gz NSOLINBOXUOZHN-LGVFNWMJSA-N 0 1 478.476 3.903 50 0 JHAAMN CCOc1ccc(N2C(=O)C[C@H](NCCNc3ccc(C(=O)c4cccs4)cc3)C2=O)cc1 ZINC000018265591 556317548 /nfs/dbraw/zinc/31/75/48/556317548.db2.gz UAUQVZOWLCQVSE-NRFANRHFSA-N 0 1 463.559 3.711 50 0 JHAAMN 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/nfs/dbraw/zinc/44/64/07/556446407.db2.gz NMEBUAJNVHLRGS-UHFFFAOYSA-N 0 1 450.539 3.591 50 0 JHAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000032879882 556520929 /nfs/dbraw/zinc/52/09/29/556520929.db2.gz SKWLHZPIGMYWCX-UHFFFAOYSA-N 0 1 452.942 3.896 50 0 JHAAMN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000032913226 556537745 /nfs/dbraw/zinc/53/77/45/556537745.db2.gz CFAJZEHTRRZESK-JOCHJYFZSA-N 0 1 456.590 3.761 50 0 JHAAMN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)oc2c1 ZINC000008606759 562946941 /nfs/dbraw/zinc/94/69/41/562946941.db2.gz VVAGFDIPNXGAHI-UHFFFAOYSA-N 0 1 464.503 3.561 50 0 JHAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)NCCc1ccccc1 ZINC000008682941 562951687 /nfs/dbraw/zinc/95/16/87/562951687.db2.gz FQNLPACCIITVRH-UHFFFAOYSA-N 0 1 480.634 3.815 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[NH+](C)C)cc1 ZINC000036384575 563128485 /nfs/dbraw/zinc/12/84/85/563128485.db2.gz 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COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccncc4)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000009550105 555348399 /nfs/dbraw/zinc/34/83/99/555348399.db2.gz QSCPNCACGAOIRY-LJQANCHMSA-N 0 1 460.519 3.938 50 0 JHAAMN CCN(CC)c1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000009662355 555367856 /nfs/dbraw/zinc/36/78/56/555367856.db2.gz XZHOFVJPQCTQMG-UHFFFAOYSA-N 0 1 454.552 3.990 50 0 JHAAMN COc1cccc([C@@H]2CC(c3cn(-c4ccccc4)nc3-c3ccccc3)=NN2C(=O)CNCCO)c1 ZINC000009579601 555383725 /nfs/dbraw/zinc/38/37/25/555383725.db2.gz AQVRRWJXPNTSNC-MHZLTWQESA-N 0 1 495.583 3.808 50 0 JHAAMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1)N1CCCCC1 ZINC000009670139 555386378 /nfs/dbraw/zinc/38/63/78/555386378.db2.gz HGKDOWLAVREWKN-UHFFFAOYSA-N 0 1 463.987 3.604 50 0 JHAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)CSc2cc(=O)n(C)c3ccccc23)CC1 ZINC000009777065 555495604 /nfs/dbraw/zinc/49/56/04/555495604.db2.gz ZBXXOKOEARTIPZ-UHFFFAOYSA-N 0 1 499.080 3.921 50 0 JHAAMN CCOC(=O)[C@H]1CCCCN1C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1 ZINC000019865284 555521080 /nfs/dbraw/zinc/52/10/80/555521080.db2.gz LVXFKGHIGCXUGB-RUZDIDTESA-N 0 1 497.611 3.563 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000013591695 555526134 /nfs/dbraw/zinc/52/61/34/555526134.db2.gz KNWXXYNKIWCVMG-APSVEGKFSA-N 0 1 476.536 3.644 50 0 JHAAMN COc1ccc(-c2c(C)oc3c(C)c(OCCN4CCC(C(N)=O)CC4)ccc3c2=O)cc1 ZINC000013624680 555538487 /nfs/dbraw/zinc/53/84/87/555538487.db2.gz LKGQUPMBKMYAKI-UHFFFAOYSA-N 0 1 450.535 3.662 50 0 biogenic JHAAMN O[C@@H](COCCOc1ccc(Cl)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019938641 555556818 /nfs/dbraw/zinc/55/68/18/555556818.db2.gz MEQPDTJBUNSWGY-HXUWFJFHSA-N 0 1 458.908 3.937 50 0 JHAAMN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc2c(s1)c1ccccc1oc2=O ZINC000020104905 555637719 /nfs/dbraw/zinc/63/77/19/555637719.db2.gz RVKQGYGARIKYOR-UHFFFAOYSA-N 0 1 461.587 3.945 50 0 JHAAMN COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000010213382 555647191 /nfs/dbraw/zinc/64/71/91/555647191.db2.gz JIVWNSODSVEKSC-DEOSSOPVSA-N 0 1 493.629 3.520 50 0 JHAAMN CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]2)c1 ZINC000010272766 555667071 /nfs/dbraw/zinc/66/70/71/555667071.db2.gz FQKFHQHTJRAGGX-UHFFFAOYSA-N 0 1 482.008 3.709 50 0 JHAAMN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2)c(=O)[nH]1)C(=O)Nc1ccc(C)cc1 ZINC000010433702 555708078 /nfs/dbraw/zinc/70/80/78/555708078.db2.gz DIPPCBCJNZDRJE-GOSISDBHSA-N 0 1 457.577 3.729 50 0 JHAAMN CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)CC1 ZINC000014155316 555713448 /nfs/dbraw/zinc/71/34/48/555713448.db2.gz GWKWKJNEVNDLHZ-UHFFFAOYSA-N 0 1 479.986 3.672 50 0 JHAAMN C[C@H]1CN(CCCNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H](C)O1 ZINC000014244747 555746936 /nfs/dbraw/zinc/74/69/36/555746936.db2.gz XDKHONBHZVDYDK-GJZGRUSLSA-N 0 1 462.944 3.586 50 0 JHAAMN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(OC)ccc2OC)nc1N1CCN(C)CC1 ZINC000011964843 555871287 /nfs/dbraw/zinc/87/12/87/555871287.db2.gz MAZQUBSBOKJDPG-UHFFFAOYSA-N 0 1 452.599 3.780 50 0 JHAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000022276006 555913120 /nfs/dbraw/zinc/91/31/20/555913120.db2.gz SAMXWXALNJFQBK-ZDUSSCGKSA-N 0 1 453.471 3.932 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc(OC)cc3s2)cc1 ZINC000012140789 555919475 /nfs/dbraw/zinc/91/94/75/555919475.db2.gz QVFHPCNJIPBWFZ-UHFFFAOYSA-N 0 1 490.651 3.544 50 0 JHAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000012140833 555919843 /nfs/dbraw/zinc/91/98/43/555919843.db2.gz MFMPEGLYSFDLDK-UHFFFAOYSA-N 0 1 494.589 3.567 50 0 JHAAMN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1 ZINC000015680591 555948572 /nfs/dbraw/zinc/94/85/72/555948572.db2.gz ZZGHGESKOZKJGF-UHFFFAOYSA-N 0 1 452.580 3.521 50 0 JHAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000015680738 555949355 /nfs/dbraw/zinc/94/93/55/555949355.db2.gz PAIYLJDATJJAMG-UHFFFAOYSA-N 0 1 457.303 3.577 50 0 JHAAMN C[C@@H]1CSc2ccc(S(=O)(=O)NCC3CCN(Cc4cccc(F)c4)CC3)cc2NC1=O ZINC000015731214 555974457 /nfs/dbraw/zinc/97/44/57/555974457.db2.gz NKRQYNHXDJTKQJ-MRXNPFEDSA-N 0 1 477.627 3.697 50 0 JHAAMN COc1ccc(-c2nc(C)c(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)s2)cc1OC ZINC000022935534 555988310 /nfs/dbraw/zinc/98/83/10/555988310.db2.gz XOXNCJUFKGAOIF-UHFFFAOYSA-N 0 1 472.655 3.816 50 0 JHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774023 555992438 /nfs/dbraw/zinc/99/24/38/555992438.db2.gz HOUDEWIHVMNLRZ-MHZLTWQESA-N 0 1 468.601 3.587 50 0 JHAAMN C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022939640 555992641 /nfs/dbraw/zinc/99/26/41/555992641.db2.gz GIDWSULGPCBKLO-MUUNZHRXSA-N 0 1 454.574 3.818 50 0 JHAAMN CCn1c(CN[C@@H](C)c2ccc3c(c2)CCCC3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012532447 556002708 /nfs/dbraw/zinc/00/27/08/556002708.db2.gz RVZXNYLPIPSTCD-IBGZPJMESA-N 0 1 482.650 3.807 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000012536059 556008951 /nfs/dbraw/zinc/00/89/51/556008951.db2.gz POGAFOTWHQXJCI-DHZHZOJOSA-N 0 1 491.613 3.967 50 0 JHAAMN COc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012552581 556035961 /nfs/dbraw/zinc/03/59/61/556035961.db2.gz HISBFCQNMIPHBC-UHFFFAOYSA-N 0 1 468.531 3.506 50 0 JHAAMN COC(=O)c1cc(CNC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)ccc1OC ZINC000012558596 556048610 /nfs/dbraw/zinc/04/86/10/556048610.db2.gz VZEGMMYGMFFLAR-UHFFFAOYSA-N 0 1 469.563 3.731 50 0 JHAAMN CCn1nnc2cc(C(=O)Nc3ccc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc21 ZINC000023690571 556083582 /nfs/dbraw/zinc/08/35/82/556083582.db2.gz VXZJWZBXRAXKAZ-UHFFFAOYSA-N 0 1 469.498 3.652 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000015957571 556089026 /nfs/dbraw/zinc/08/90/26/556089026.db2.gz ZZJFQBONDSFONH-CHCBTGSZSA-N 0 1 471.601 3.935 50 0 biogenic JHAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000015972032 556097342 /nfs/dbraw/zinc/09/73/42/556097342.db2.gz CLFFACUDHRYEBL-ANARSLNQSA-N 0 1 494.526 3.783 50 0 JHAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015996665 556103199 /nfs/dbraw/zinc/10/31/99/556103199.db2.gz SQMDTXRIWXMHHW-UGCAPWQASA-N 0 1 494.389 3.603 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000214 556104689 /nfs/dbraw/zinc/10/46/89/556104689.db2.gz YLUQWJAHLLAJBJ-WYNJNVBPSA-N 0 1 451.526 3.888 50 0 JHAAMN CC(=O)[C@@H]1C(=C(O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000016007514 556107836 /nfs/dbraw/zinc/10/78/36/556107836.db2.gz KAEOTRDEZHXOGW-ZOJNDGCKSA-N 0 1 453.473 3.783 50 0 JHAAMN CSCC[C@H]1N[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000016020883 556113257 /nfs/dbraw/zinc/11/32/57/556113257.db2.gz RWLMVTDXBKNRST-FVJVTNMWSA-N 0 1 476.042 3.845 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)Nc3ccc(OC)cc3OC)cs2)cc1 ZINC000016848539 556170075 /nfs/dbraw/zinc/17/00/75/556170075.db2.gz FIJBIXILOVIUGH-UHFFFAOYSA-N 0 1 477.564 3.541 50 0 JHAAMN COc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000017053566 556214128 /nfs/dbraw/zinc/21/41/28/556214128.db2.gz SVUNMULTGQLEOH-UHFFFAOYSA-N 0 1 469.505 3.893 50 0 JHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 ZINC000025475605 556217698 /nfs/dbraw/zinc/21/76/98/556217698.db2.gz FOPLXYWIYXKTQX-UHFFFAOYSA-N 0 1 464.341 3.695 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3OCC)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000025806534 556236819 /nfs/dbraw/zinc/23/68/19/556236819.db2.gz SBFLLGSNMQZIRT-XMMPIXPASA-N 0 1 499.011 3.732 50 0 JHAAMN CCOC(=O)C1CCN([C@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000017296935 556252154 /nfs/dbraw/zinc/25/21/54/556252154.db2.gz DUKMPIYGGSGDCN-HSZRJFAPSA-N 0 1 474.623 3.595 50 0 JHAAMN COc1cccc([C@@H](CNC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)N(C)C)c1 ZINC000027595805 556300983 /nfs/dbraw/zinc/30/09/83/556300983.db2.gz AKEBCHLKCHIYAC-JWQCQUIFSA-N 0 1 483.634 3.570 50 0 JHAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013116901 556324667 /nfs/dbraw/zinc/32/46/67/556324667.db2.gz VBJCWEQSFFEJCL-UHFFFAOYSA-N 0 1 495.989 3.780 50 0 JHAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1N1CCOCC1 ZINC000019299351 556338845 /nfs/dbraw/zinc/33/88/45/556338845.db2.gz DTXGKCMJMBPTGL-UHFFFAOYSA-N 0 1 470.617 3.869 50 0 JHAAMN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000031816084 556407172 /nfs/dbraw/zinc/40/71/72/556407172.db2.gz NJKUOPCCYSTZCG-SANMLTNESA-N 0 1 462.594 3.586 50 0 JHAAMN CCN1CCN(c2ccccc2NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000032678888 556470104 /nfs/dbraw/zinc/47/01/04/556470104.db2.gz QTOKZBJJFDBSRR-UHFFFAOYSA-N 0 1 498.693 3.965 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)c2)cc1 ZINC000032721282 556474912 /nfs/dbraw/zinc/47/49/12/556474912.db2.gz UURBUYNHIRKIPT-XMMPIXPASA-N 0 1 485.581 3.976 50 0 JHAAMN COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc2)cc1 ZINC000032772444 556490039 /nfs/dbraw/zinc/49/00/39/556490039.db2.gz VJTNTUAIKSSYRZ-HSZRJFAPSA-N 0 1 453.564 3.529 50 0 JHAAMN CCOC(=O)C1=C(CN2CCn3cccc3[C@@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000032809738 556499717 /nfs/dbraw/zinc/49/97/17/556499717.db2.gz XRDLBAWOJCYCPZ-RPBOFIJWSA-N 0 1 456.546 3.764 50 0 JHAAMN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCCCN4C[C@H](C)O[C@@H](C)C4)cc3)ccc12 ZINC000032899223 556526668 /nfs/dbraw/zinc/52/66/68/556526668.db2.gz JTOAGNPNMJDDGO-PMACEKPBSA-N 0 1 464.562 3.910 50 0 JHAAMN COc1ccc([C@H](CNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)N2CCCCC2)cc1 ZINC000032902362 556529408 /nfs/dbraw/zinc/52/94/08/556529408.db2.gz AJTJVAKBYYWZFN-SQJMNOBHSA-N 0 1 451.592 3.967 50 0 JHAAMN CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1 ZINC000006296665 562937187 /nfs/dbraw/zinc/93/71/87/562937187.db2.gz KWDQIGOHYMYEIT-UHFFFAOYSA-N 0 1 491.569 3.682 50 0 JHAAMN Cc1cccc(CCNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccccc4F)cc3c2=O)c1 ZINC000008583477 562940290 /nfs/dbraw/zinc/94/02/90/562940290.db2.gz GVQSHGCUBHNIIN-UHFFFAOYSA-N 0 1 479.533 3.749 50 0 JHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000008696109 562954677 /nfs/dbraw/zinc/95/46/77/562954677.db2.gz HXCIFDQWZQOMLL-UHFFFAOYSA-N 0 1 497.820 3.552 50 0 JHAAMN CCN1C(=O)C[C@](CC(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)(c2ccccc2C)C1=O ZINC000011839778 562957746 /nfs/dbraw/zinc/95/77/46/562957746.db2.gz CVYTYZAAHUBESM-HHHXNRCGSA-N 0 1 476.552 3.823 50 0 JHAAMN CCN1C(=O)C[C@@](CC(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)(c2ccccc2C)C1=O ZINC000011839777 562957753 /nfs/dbraw/zinc/95/77/53/562957753.db2.gz CVYTYZAAHUBESM-MHZLTWQESA-N 0 1 476.552 3.823 50 0 JHAAMN COC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415075 569600364 /nfs/dbraw/zinc/60/03/64/569600364.db2.gz XAZFVNRNYGKSKD-QHCPKHFHSA-N 0 1 468.985 3.560 50 0 JHAAMN O=C([O-])c1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000032962005 569602614 /nfs/dbraw/zinc/60/26/14/569602614.db2.gz CGOZHAFIAOBCIY-UHFFFAOYSA-N 0 1 487.528 3.786 50 0 JHAAMN O=C(NCCNC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1n[nH]c2ccccc21 ZINC000062588286 569612122 /nfs/dbraw/zinc/61/21/22/569612122.db2.gz DZLKKZOGCYIKKF-UHFFFAOYSA-N 0 1 480.322 3.673 50 0 JHAAMN Cc1cc(Cl)ccc1NC(=O)c1cnn2c1n(C)c1c(c2=O)CN(Cc2ccccc2)CC1 ZINC000064836068 569636840 /nfs/dbraw/zinc/63/68/40/569636840.db2.gz OIVWZQUZBFTJJB-UHFFFAOYSA-N 0 1 461.953 3.805 50 0 JHAAMN CCc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1 ZINC000065022548 569649260 /nfs/dbraw/zinc/64/92/60/569649260.db2.gz DBLBMSJZNHKUDL-UHFFFAOYSA-N 0 1 488.953 3.889 50 0 JHAAMN Cc1cccc(CC(=O)N2CCc3[nH]nc(C(=O)NCc4cccc(C(F)(F)F)c4)c3C2)c1 ZINC000034831960 569664375 /nfs/dbraw/zinc/66/43/75/569664375.db2.gz SXMFFSXRKAQJDA-UHFFFAOYSA-N 0 1 456.468 3.794 50 0 JHAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)Cc1cccs1 ZINC000034834544 569664826 /nfs/dbraw/zinc/66/48/26/569664826.db2.gz RQAFZQCBBYXCCG-UHFFFAOYSA-N 0 1 499.656 3.741 50 0 JHAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2)c1 ZINC000065137422 569668199 /nfs/dbraw/zinc/66/81/99/569668199.db2.gz NUGLXXHQJVYEKZ-UHFFFAOYSA-N 0 1 472.592 3.696 50 0 JHAAMN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCC[C@H](C(=O)N4CCOCC4)C3)ccc21 ZINC000034894764 569669414 /nfs/dbraw/zinc/66/94/14/569669414.db2.gz BVIWZKHWNYMUSK-UXHICEINSA-N 0 1 462.594 3.712 50 0 JHAAMN CN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000065614789 569676237 /nfs/dbraw/zinc/67/62/37/569676237.db2.gz YESOVLCCPUXNQC-QHCPKHFHSA-N 0 1 489.447 3.662 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000035375651 569684540 /nfs/dbraw/zinc/68/45/40/569684540.db2.gz OZXUELISYIIBOP-ZASNTINBSA-N 0 1 490.563 3.952 50 0 JHAAMN CCOc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4cc(Cl)ccc4C)CC3)=C2C(=O)OC)cc1 ZINC000067689677 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CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[nH]c2=O)cc1 ZINC000064592074 569622204 /nfs/dbraw/zinc/62/22/04/569622204.db2.gz DNXNFDHIVZOQIX-UHFFFAOYSA-N 0 1 479.967 3.798 50 0 JHAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)[nH]c2=O)cc1 ZINC000064592066 569622215 /nfs/dbraw/zinc/62/22/15/569622215.db2.gz QAVVVEUOAGCIOV-UHFFFAOYSA-N 0 1 457.577 3.925 50 0 JHAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000064592059 569622311 /nfs/dbraw/zinc/62/23/11/569622311.db2.gz ZORSLYMFJBGTTO-UHFFFAOYSA-N 0 1 492.022 3.682 50 0 JHAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(CC)cc3)[nH]c2=O)cc1 ZINC000064592070 569622366 /nfs/dbraw/zinc/62/23/66/569622366.db2.gz JYMNEGIJYRJCIL-UHFFFAOYSA-N 0 1 473.576 3.707 50 0 JHAAMN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cc(C)ccc4C)c(Cl)cc32)no1 ZINC000065022495 569649061 /nfs/dbraw/zinc/64/90/61/569649061.db2.gz OHNGMLYFCROXQQ-UHFFFAOYSA-N 0 1 476.942 3.629 50 0 JHAAMN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccccc4CC)c(Cl)cc32)no1 ZINC000065022477 569649077 /nfs/dbraw/zinc/64/90/77/569649077.db2.gz GZNVGRNDROYTTC-UHFFFAOYSA-N 0 1 476.942 3.574 50 0 JHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)CC(C)(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831839 569664307 /nfs/dbraw/zinc/66/43/07/569664307.db2.gz AJRHICHUXYPKBS-UHFFFAOYSA-N 0 1 473.637 3.873 50 0 JHAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1Cl ZINC000065115245 569665452 /nfs/dbraw/zinc/66/54/52/569665452.db2.gz LNFQJPRJXVKKMQ-UHFFFAOYSA-N 0 1 479.942 3.925 50 0 JHAAMN COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCC3)n2)ccc1C ZINC000065318973 569673456 /nfs/dbraw/zinc/67/34/56/569673456.db2.gz KNYSNNBKQOMNHY-UHFFFAOYSA-N 0 1 470.551 3.789 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067205241 569677942 /nfs/dbraw/zinc/67/79/42/569677942.db2.gz SVLQMKFWYDZHCS-DEOSSOPVSA-N 0 1 483.012 3.896 50 0 JHAAMN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3F)[n-]c(=O)c2C1 ZINC000067291753 569685757 /nfs/dbraw/zinc/68/57/57/569685757.db2.gz VJULFXPSCXEZDI-UHFFFAOYSA-N 0 1 455.353 3.583 50 0 JHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3F)[n-]c(=O)c2C1 ZINC000067291753 569685759 /nfs/dbraw/zinc/68/57/59/569685759.db2.gz VJULFXPSCXEZDI-UHFFFAOYSA-N 0 1 455.353 3.583 50 0 JHAAMN CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4cc(Cl)ccc4C)CC3)=C2C(=O)OC)cc1 ZINC000067689661 569689987 /nfs/dbraw/zinc/68/99/87/569689987.db2.gz YDSDKCUHUJBPBV-DEOSSOPVSA-N 0 1 483.012 3.814 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067689739 569690253 /nfs/dbraw/zinc/69/02/53/569690253.db2.gz FITCJIJGQQGAHD-DEOSSOPVSA-N 0 1 499.011 3.732 50 0 JHAAMN C[C@@H](NC(=O)CN1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000069950980 569694353 /nfs/dbraw/zinc/69/43/53/569694353.db2.gz NRZGAQNKIUMNRK-HXUWFJFHSA-N 0 1 465.613 3.953 50 0 JHAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n[nH]1 ZINC000072331260 569702850 /nfs/dbraw/zinc/70/28/50/569702850.db2.gz XXQHYURCXSCXJA-UHFFFAOYSA-N 0 1 462.550 3.942 50 0 JHAAMN Cc1cc(C)n(CCOc2ccc([C@H]3CC(=O)Nc4c3c(C)nn4-c3ncnc4[nH]cnc43)cc2)n1 ZINC000072405264 569703874 /nfs/dbraw/zinc/70/38/74/569703874.db2.gz CQMDSWRQABDAML-LJQANCHMSA-N 0 1 483.536 3.863 50 0 JHAAMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000078729543 569706583 /nfs/dbraw/zinc/70/65/83/569706583.db2.gz ZLNVGLDRDDDSNL-SFHVURJKSA-N 0 1 480.588 3.648 50 0 JHAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000096596341 569742415 /nfs/dbraw/zinc/74/24/15/569742415.db2.gz DRHKPHKFKXRKEJ-RUZDIDTESA-N 0 1 492.023 3.657 50 0 JHAAMN COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[N@H+](C)Cc3ccccc3)c1[O-])CC2 ZINC000100796219 569770266 /nfs/dbraw/zinc/77/02/66/569770266.db2.gz OQQIXKYVDYWZBP-UHFFFAOYSA-N 0 1 450.535 3.553 50 0 biogenic JHAAMN COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[N@@H+](C)Cc3ccccc3)c1[O-])CC2 ZINC000100796219 569770267 /nfs/dbraw/zinc/77/02/67/569770267.db2.gz OQQIXKYVDYWZBP-UHFFFAOYSA-N 0 1 450.535 3.553 50 0 biogenic JHAAMN Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)[nH]c(=O)c2c1C ZINC000036697681 569780112 /nfs/dbraw/zinc/78/01/12/569780112.db2.gz BIYKOMTWKNFGHK-FUHWJXTLSA-N 0 1 456.637 3.614 50 0 JHAAMN O=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000037277336 569782294 /nfs/dbraw/zinc/78/22/94/569782294.db2.gz JRRBTTKVIRSOHF-UHFFFAOYSA-N 0 1 474.649 3.715 50 0 JHAAMN CCOCCCNC(=O)c1ccc(Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[nH]c2=S)cc1 ZINC000101497391 569800583 /nfs/dbraw/zinc/80/05/83/569800583.db2.gz UVNNXJAWRVJDET-UHFFFAOYSA-N 0 1 466.563 3.754 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000101628438 569802087 /nfs/dbraw/zinc/80/20/87/569802087.db2.gz PSRMJPNBRCZMCB-KDURUIRLSA-N 0 1 456.564 3.788 50 0 JHAAMN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1 ZINC000040150673 569819710 /nfs/dbraw/zinc/81/97/10/569819710.db2.gz HJMVAGRCXLUEKD-UHFFFAOYSA-N 0 1 495.536 3.587 50 0 JHAAMN CCOc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)cc1 ZINC000040450288 569828301 /nfs/dbraw/zinc/82/83/01/569828301.db2.gz JXKHUVGAJDUSJN-UHFFFAOYSA-N 0 1 453.358 3.948 50 0 JHAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103008199 569831631 /nfs/dbraw/zinc/83/16/31/569831631.db2.gz ZNQXQVBJFKGRBH-XRLCUDTISA-N 0 1 465.553 3.612 50 0 JHAAMN Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3)C2)C1 ZINC000104360983 569845252 /nfs/dbraw/zinc/84/52/52/569845252.db2.gz TZDWTPRZPSGLDV-ILBGXUMGSA-N 0 1 472.589 3.867 50 0 JHAAMN Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)COC(C)C)C2CC2)c1 ZINC000105004315 569849608 /nfs/dbraw/zinc/84/96/08/569849608.db2.gz ATNLTCLREMWZCW-QPPBQGQZSA-N 0 1 472.651 3.812 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318502 569851683 /nfs/dbraw/zinc/85/16/83/569851683.db2.gz UUXWUISUNNDWCC-HSZRJFAPSA-N 0 1 468.985 3.642 50 0 JHAAMN COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679359 569869620 /nfs/dbraw/zinc/86/96/20/569869620.db2.gz WXTCJYURTFLLIO-GGAORHGYSA-N 0 1 479.518 3.860 50 0 JHAAMN COc1cc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc(OC)c1OC ZINC000253471269 570099398 /nfs/dbraw/zinc/09/93/98/570099398.db2.gz OOYVLEPBGLYAEP-QGZVFWFLSA-N 0 1 457.454 3.979 50 0 JHAAMN COC(=O)c1sc2nc(CN3CCC(CO)CC3)ccc2c1NC(=O)C1(c2ccccc2)CC1 ZINC000299778737 570176389 /nfs/dbraw/zinc/17/63/89/570176389.db2.gz NZVCFEHSMTVAER-UHFFFAOYSA-N 0 1 479.602 3.958 50 0 JHAAMN C[C@H](NC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1)c1nccs1 ZINC000299799503 570177303 /nfs/dbraw/zinc/17/73/03/570177303.db2.gz SARARQXMJSRUKG-SFHVURJKSA-N 0 1 468.598 3.953 50 0 JHAAMN CCOC(=O)C1C(CNc2ccc(C(F)(F)F)cc2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001422883 194118261 /nfs/dbraw/zinc/11/82/61/194118261.db2.gz KZPDINQUHLXOPD-LJQANCHMSA-N 0 1 463.412 3.717 50 0 JHAAMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3c(cc2C)OCO3)c1Cl ZINC000001481831 194126048 /nfs/dbraw/zinc/12/60/48/194126048.db2.gz PHWXUGHIIBDVKD-UHFFFAOYSA-N 0 1 454.913 3.961 50 0 world JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 ZINC000001514587 194127016 /nfs/dbraw/zinc/12/70/16/194127016.db2.gz RSTPZLQHLGZBMV-UHFFFAOYSA-N 0 1 461.341 3.909 50 0 JHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003313231 194277652 /nfs/dbraw/zinc/27/76/52/194277652.db2.gz WDQQQULTMHJUND-UHFFFAOYSA-N 0 1 458.499 3.761 50 0 JHAAMN CC[NH+](CC)CCNC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004001690 194368402 /nfs/dbraw/zinc/36/84/02/194368402.db2.gz LHFHPCWQLUDMAB-UHFFFAOYSA-N 0 1 472.655 3.858 50 0 JHAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCc3ccccc3)[nH]c2=O)cc1 ZINC000009941116 195029512 /nfs/dbraw/zinc/02/95/12/195029512.db2.gz MPODDRWSUDDARC-UHFFFAOYSA-N 0 1 485.631 3.764 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)N2CCCCC2)cc1 ZINC000012696909 195090272 /nfs/dbraw/zinc/09/02/72/195090272.db2.gz UXBLCNRSCQSBRH-VWLOTQADSA-N 0 1 485.650 3.745 50 0 JHAAMN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cc2)cc1 ZINC000012746243 195102638 /nfs/dbraw/zinc/10/26/38/195102638.db2.gz SINWPURSEGOQNU-QHCPKHFHSA-N 0 1 455.555 3.968 50 0 JHAAMN CCCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)Cc1ccccc1 ZINC000012767676 195115004 /nfs/dbraw/zinc/11/50/04/195115004.db2.gz UFJFTJGXZVNMSJ-UHFFFAOYSA-N 0 1 459.612 3.721 50 0 JHAAMN CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4Cl)c(=O)c3c2)CC1 ZINC000020753975 195215596 /nfs/dbraw/zinc/21/55/96/195215596.db2.gz FQODCEPVQDVOOK-UHFFFAOYSA-N 0 1 473.982 3.532 50 0 JHAAMN COc1cc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)ccc1OCc1ccccc1 ZINC000020776742 195224178 /nfs/dbraw/zinc/22/41/78/195224178.db2.gz XJZOMMGOMRAGKQ-UHFFFAOYSA-N 0 1 497.599 3.854 50 0 JHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1C ZINC000020989955 195261806 /nfs/dbraw/zinc/26/18/06/195261806.db2.gz LBGLLZSCWCQYGK-UHFFFAOYSA-N 0 1 486.682 3.601 50 0 JHAAMN O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000059279568 195396651 /nfs/dbraw/zinc/39/66/51/195396651.db2.gz WKZORLLENLATMV-UHFFFAOYSA-N 0 1 456.546 3.551 50 0 JHAAMN CCOc1ccc(OCC)c(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324616 130070323 /nfs/dbraw/zinc/07/03/23/130070323.db2.gz BGKZPEBPUVACKA-UHFFFAOYSA-N 0 1 463.538 3.760 50 0 JHAAMN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000043732506 518345334 /nfs/dbraw/zinc/34/53/34/518345334.db2.gz MSJUEEZMEODLOC-IVAOSVALSA-N 0 1 453.336 3.977 50 0 JHAAMN CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033881 519838852 /nfs/dbraw/zinc/83/88/52/519838852.db2.gz SXRKSRZDNQCVIU-UHFFFAOYSA-N 0 1 492.645 3.950 50 0 JHAAMN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000016837532 520525384 /nfs/dbraw/zinc/52/53/84/520525384.db2.gz BNNVQVMQNDEWGA-UHFFFAOYSA-N 0 1 458.989 3.642 50 0 JHAAMN CCOc1ccc(CCNC(=O)c2sc3ncnc(N4CCN(CC)CC4)c3c2C)cc1OCC ZINC000033048350 520954100 /nfs/dbraw/zinc/95/41/00/520954100.db2.gz 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COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000014744584 523289724 /nfs/dbraw/zinc/28/97/24/523289724.db2.gz ZZZIACUPIZCEDA-UHFFFAOYSA-N 0 1 474.964 3.710 50 0 JHAAMN CCc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(CCN2CCCC2)C3=O)cc1 ZINC000021852998 523855203 /nfs/dbraw/zinc/85/52/03/523855203.db2.gz YQKVRXNCUNOWEQ-NDEPHWFRSA-N 0 1 477.653 3.872 50 0 JHAAMN CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(Br)cc1F)C[C@H]1CCCN12 ZINC000036146265 524035863 /nfs/dbraw/zinc/03/58/63/524035863.db2.gz PLFGFYKBRYRNEN-RQVMVGKASA-N 0 1 458.331 3.883 50 0 biogenic JHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)CCC(=O)N3C[C@H](C)Oc4ccccc43)CC2)c1 ZINC000020466290 524125961 /nfs/dbraw/zinc/12/59/61/524125961.db2.gz OXBRHBQTQFEJOF-QHCPKHFHSA-N 0 1 478.637 3.526 50 0 JHAAMN Cc1cccc(CNC(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000033034354 524428492 /nfs/dbraw/zinc/42/84/92/524428492.db2.gz OXLOEGSYSUZAQK-UHFFFAOYSA-N 0 1 499.036 3.789 50 0 JHAAMN 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COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(CCCc2ccccc2)C3)c1 ZINC000014535840 555824672 /nfs/dbraw/zinc/82/46/72/555824672.db2.gz LPQKFZRFDZGOIE-XMMPIXPASA-N 0 1 488.632 3.528 50 0 JHAAMN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(Cc2ccccn2)CC3)cc1 ZINC000014537216 555826767 /nfs/dbraw/zinc/82/67/67/555826767.db2.gz SSJVSIWKMVVLOW-UHFFFAOYSA-N 0 1 450.583 3.588 50 0 JHAAMN Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(Cc3c(F)cccc3Cl)C2)n1 ZINC000011871858 555847116 /nfs/dbraw/zinc/84/71/16/555847116.db2.gz OFIYATQJRKMEDP-GCJKJVERSA-N 0 1 492.064 3.785 50 0 JHAAMN C[C@H](CNC(=O)Cn1cnc2ccccc21)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000011913077 555862758 /nfs/dbraw/zinc/86/27/58/555862758.db2.gz BFEQNIWZDFWXHH-HSZRJFAPSA-N 0 1 483.616 3.942 50 0 JHAAMN COC(=O)c1cc(CNC(=O)COc2ccccc2)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000012150247 555922390 /nfs/dbraw/zinc/92/23/90/555922390.db2.gz XHDVLEGFCBZMIX-UHFFFAOYSA-N 0 1 488.949 3.623 50 0 JHAAMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015679394 555944763 /nfs/dbraw/zinc/94/47/63/555944763.db2.gz ZEUIEYJOYLGUIR-UHFFFAOYSA-N 0 1 469.339 3.526 50 0 JHAAMN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1 ZINC000015680633 555948579 /nfs/dbraw/zinc/94/85/79/555948579.db2.gz JHBGDFWUODHFTQ-UHFFFAOYSA-N 0 1 470.570 3.660 50 0 JHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Br)o4)CC3)n[nH]2)c(C)c1 ZINC000015680665 555948933 /nfs/dbraw/zinc/94/89/33/555948933.db2.gz SNRMTOOQOQPQFS-UHFFFAOYSA-N 0 1 457.328 3.647 50 0 JHAAMN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000015680657 555948965 /nfs/dbraw/zinc/94/89/65/555948965.db2.gz DDKFWFVKPZIBTJ-UHFFFAOYSA-N 0 1 495.388 3.539 50 0 JHAAMN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000015727795 555966766 /nfs/dbraw/zinc/96/67/66/555966766.db2.gz WLSWOQISTGLYHO-UHFFFAOYSA-N 0 1 484.000 3.663 50 0 JHAAMN NC(=O)CCn1c(C2CC2)nn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022912538 555968048 /nfs/dbraw/zinc/96/80/48/555968048.db2.gz KDWVPYWYOHCHHZ-UHFFFAOYSA-N 0 1 476.650 3.532 50 0 JHAAMN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCC3CCN(Cc4cccc(F)c4)CC3)ccc2S1 ZINC000015730982 555973491 /nfs/dbraw/zinc/97/34/91/555973491.db2.gz BJYKKJVVVIJERK-MRXNPFEDSA-N 0 1 477.627 3.839 50 0 JHAAMN Cc1c(Cl)cccc1N1C(=O)C[C@H](Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O ZINC000023043176 556002021 /nfs/dbraw/zinc/00/20/21/556002021.db2.gz KNTXVQQJEJUBNH-INIZCTEOSA-N 0 1 476.967 3.650 50 0 JHAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccnn1C(C)C ZINC000012536144 556009047 /nfs/dbraw/zinc/00/90/47/556009047.db2.gz XLUIJLCXHJBVKH-UHFFFAOYSA-N 0 1 474.514 3.508 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c2)cc1 ZINC000012544752 556020715 /nfs/dbraw/zinc/02/07/15/556020715.db2.gz BZPQXLKMVWNXBW-QFIPXVFZSA-N 0 1 469.563 3.656 50 0 JHAAMN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000023257268 556035906 /nfs/dbraw/zinc/03/59/06/556035906.db2.gz MSPLITAAJAVEPC-NDEPHWFRSA-N 0 1 472.589 3.781 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1 ZINC000012582969 556080385 /nfs/dbraw/zinc/08/03/85/556080385.db2.gz GJAQEZQYISYHEG-UHFFFAOYSA-N 0 1 462.597 3.641 50 0 JHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967624 556093826 /nfs/dbraw/zinc/09/38/26/556093826.db2.gz PNXBTSJDAGGTCW-DHMIZTNRSA-N 0 1 485.971 3.546 50 0 biogenic JHAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968562 556094620 /nfs/dbraw/zinc/09/46/20/556094620.db2.gz YMHOBMDDUHXZBH-HNFJUSDZSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969772 556095699 /nfs/dbraw/zinc/09/56/99/556095699.db2.gz NFNFNIQFJVKXLA-IMBSWCNGSA-N 0 1 485.971 3.546 50 0 biogenic JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015971752 556096925 /nfs/dbraw/zinc/09/69/25/556096925.db2.gz PJTALRNXCZCXBX-YDXRHMNESA-N 0 1 490.563 3.952 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015971758 556097011 /nfs/dbraw/zinc/09/70/11/556097011.db2.gz PJTALRNXCZCXBX-ZRIOWSNCSA-N 0 1 490.563 3.952 50 0 JHAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000015972034 556097325 /nfs/dbraw/zinc/09/73/25/556097325.db2.gz CLFFACUDHRYEBL-JLMYGFKKSA-N 0 1 494.526 3.783 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3c2ccc(C)c3C)c(Br)c1 ZINC000016000364 556105006 /nfs/dbraw/zinc/10/50/06/556105006.db2.gz JYFFTTFOFVNVQH-ZDQHKECQSA-N 0 1 494.389 3.806 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001206 556105964 /nfs/dbraw/zinc/10/59/64/556105964.db2.gz ZVENPOCPTBEMON-UAKAABGRSA-N 0 1 469.463 3.753 50 0 JHAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016013073 556112028 /nfs/dbraw/zinc/11/20/28/556112028.db2.gz HVSGIYQXNBWCDH-KYALDGGBSA-N 0 1 485.971 3.812 50 0 JHAAMN CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000016020424 556113338 /nfs/dbraw/zinc/11/33/38/556113338.db2.gz IJUXZXBGFVOQSS-UAKAABGRSA-N 0 1 476.042 3.845 50 0 JHAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c2=O)cc1 ZINC000016991346 556195205 /nfs/dbraw/zinc/19/52/05/556195205.db2.gz OJZHUPVPTGGNTG-UHFFFAOYSA-N 0 1 479.967 3.716 50 0 JHAAMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)n2)cc1 ZINC000013006754 556198428 /nfs/dbraw/zinc/19/84/28/556198428.db2.gz XAKXDMRWWASGJU-IRXDYDNUSA-N 0 1 453.568 3.699 50 0 JHAAMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)n2)cc1 ZINC000013006749 556198449 /nfs/dbraw/zinc/19/84/49/556198449.db2.gz XAKXDMRWWASGJU-IAGOWNOFSA-N 0 1 453.568 3.699 50 0 JHAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2=O)cc1 ZINC000017120616 556219341 /nfs/dbraw/zinc/21/93/41/556219341.db2.gz OPBJCNGWTPPRTN-UHFFFAOYSA-N 0 1 479.967 3.716 50 0 JHAAMN COc1ccccc1[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000027571617 556298491 /nfs/dbraw/zinc/29/84/91/556298491.db2.gz PJVQWLBWFVCWTE-IBGZPJMESA-N 0 1 450.366 3.685 50 0 JHAAMN COc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000019596034 556356591 /nfs/dbraw/zinc/35/65/91/556356591.db2.gz SZGOHUMTUGXOER-UHFFFAOYSA-N 0 1 491.585 3.858 50 0 JHAAMN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)cc1OCC(C)C ZINC000031809208 556405944 /nfs/dbraw/zinc/40/59/44/556405944.db2.gz GHRYVXSTBMEGFL-FQEVSTJZSA-N 0 1 479.566 3.665 50 0 JHAAMN COc1ccc([C@H](CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)N2CCCCC2)cc1 ZINC000032902360 556529502 /nfs/dbraw/zinc/52/95/02/556529502.db2.gz AJTJVAKBYYWZFN-OFVILXPXSA-N 0 1 451.592 3.967 50 0 JHAAMN COCCn1c(C)cc(O)c([C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000008583878 562940448 /nfs/dbraw/zinc/94/04/48/562940448.db2.gz IWDCUPAFOJPSBW-VWLOTQADSA-N 0 1 451.542 3.559 50 0 JHAAMN Cc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)Cc3ccccc3)c(=O)c2c1 ZINC000006181312 569588599 /nfs/dbraw/zinc/58/85/99/569588599.db2.gz GAKLNPSESOWGPO-UHFFFAOYSA-N 0 1 475.570 3.934 50 0 JHAAMN Cc1cccc(N2CCN(Cc3cccc(OCCCNC(=O)[C@@H]4CCCO4)c3)CC2)c1C ZINC000055168115 569591123 /nfs/dbraw/zinc/59/11/23/569591123.db2.gz IJQRCBXYXIZACU-SANMLTNESA-N 0 1 451.611 3.690 50 0 JHAAMN CC(C)[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccc2c(c1)OCCCO2 ZINC000057303693 569596189 /nfs/dbraw/zinc/59/61/89/569596189.db2.gz WQXDVRPPRKLXGI-JOCHJYFZSA-N 0 1 457.596 3.813 50 0 JHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(-n3cccn3)nc2)c1 ZINC000008720742 569598195 /nfs/dbraw/zinc/59/81/95/569598195.db2.gz NWEAGFIHSFFNMJ-UHFFFAOYSA-N 0 1 497.964 3.660 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)n1 ZINC000008722870 569599217 /nfs/dbraw/zinc/59/92/17/569599217.db2.gz TUCOXUVLCLSJAY-HNNXBMFYSA-N 0 1 460.943 3.954 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000032975693 569606202 /nfs/dbraw/zinc/60/62/02/569606202.db2.gz XGQXQFJVNXBUAP-QZTJIDSGSA-N 0 1 462.955 3.825 50 0 JHAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000062602747 569612894 /nfs/dbraw/zinc/61/28/94/569612894.db2.gz VRNUEVWGTPJCBZ-UHFFFAOYSA-N 0 1 484.604 3.848 50 0 JHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 ZINC000064727886 569625047 /nfs/dbraw/zinc/62/50/47/569625047.db2.gz MIUPRHZZBRHKLG-UHFFFAOYSA-N 0 1 456.545 3.929 50 0 JHAAMN CCc1cccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)CN(Cc3ccccc3)CC2)c1 ZINC000064835947 569636549 /nfs/dbraw/zinc/63/65/49/569636549.db2.gz YQXKZKIVTPSLFU-UHFFFAOYSA-N 0 1 455.562 3.889 50 0 JHAAMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000064844147 569638274 /nfs/dbraw/zinc/63/82/74/569638274.db2.gz 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450.004 3.886 50 0 JHAAMN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N(CCc1ccccc1)Cc1cccs1 ZINC000024978840 556167456 /nfs/dbraw/zinc/16/74/56/556167456.db2.gz HPFBWSHMNKYVKY-UHFFFAOYSA-N 0 1 492.645 3.769 50 0 JHAAMN O=C(NCc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000012975657 556167866 /nfs/dbraw/zinc/16/78/66/556167866.db2.gz KENDMSXXEZNSEU-UHFFFAOYSA-N 0 1 474.922 3.548 50 0 JHAAMN Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(-c4ccccc4Br)n[nH]3)ccc12 ZINC000016963986 556191601 /nfs/dbraw/zinc/19/16/01/556191601.db2.gz XLUKYTKXAVZLPE-UHFFFAOYSA-N 0 1 455.268 3.667 50 0 JHAAMN Cc1ccc(N2C(=O)N(CC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)C(=O)[C@@H]2C)cc1 ZINC000012998804 556191649 /nfs/dbraw/zinc/19/16/49/556191649.db2.gz MASAUPFWIJNRDW-AVRDEDQJSA-N 0 1 468.985 3.759 50 0 JHAAMN CN(C)CC(=O)N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)CC1 ZINC000013006732 556198470 /nfs/dbraw/zinc/19/84/70/556198470.db2.gz WGKFGZNGEPENDU-UHFFFAOYSA-N 0 1 481.394 3.510 50 0 JHAAMN 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ZINC000019530301 556352573 /nfs/dbraw/zinc/35/25/73/556352573.db2.gz SCWWXZWJGNYIKM-XMMPIXPASA-N 0 1 499.011 3.650 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000019530303 556352686 /nfs/dbraw/zinc/35/26/86/556352686.db2.gz SCWWXZWJGNYIKM-DEOSSOPVSA-N 0 1 499.011 3.650 50 0 JHAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000029867968 556359563 /nfs/dbraw/zinc/35/95/63/556359563.db2.gz YSORKKQOGRKPJX-KRWDZBQOSA-N 0 1 462.543 3.739 50 0 JHAAMN CCOC(=O)C1C(CN2CCc3cc(OC)c(OC)cc3C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000030673194 556369729 /nfs/dbraw/zinc/36/97/29/556369729.db2.gz YXMDIBXMUHXMNW-HSZRJFAPSA-N 0 1 485.968 3.587 50 0 JHAAMN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000019800285 556377273 /nfs/dbraw/zinc/37/72/73/556377273.db2.gz ZMSCXKUPLKJHJM-UHFFFAOYSA-N 0 1 490.608 3.500 50 0 JHAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000031809667 556405928 /nfs/dbraw/zinc/40/59/28/556405928.db2.gz QLEZWMBSJJAGKY-FPOVZHCZSA-N 0 1 483.366 3.614 50 0 JHAAMN COc1c(C)c[nH+]c(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)c1C ZINC000031810035 556406210 /nfs/dbraw/zinc/40/62/10/556406210.db2.gz CJPKKFDFBDOGIK-OAQYLSRUSA-N 0 1 487.398 3.894 50 0 JHAAMN CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccc(F)c1 ZINC000032732572 556477129 /nfs/dbraw/zinc/47/71/29/556477129.db2.gz KLOOGRFGFMDAEF-FQEVSTJZSA-N 0 1 467.994 3.686 50 0 JHAAMN O=C(Cn1cnc2c3ccccc3oc2c1=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000032819085 556503484 /nfs/dbraw/zinc/50/34/84/556503484.db2.gz JDZNCPCGFVWNGQ-IBGZPJMESA-N 0 1 450.926 3.749 50 0 JHAAMN O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000032933468 556549096 /nfs/dbraw/zinc/54/90/96/556549096.db2.gz QCHKEQABUKNVQT-UHFFFAOYSA-N 0 1 451.478 3.839 50 0 JHAAMN CCOc1ccc(-n2c3nc(SCC(=O)N(CC)CC)[nH]c(=O)c3sc2=S)cc1 ZINC000032948223 556563142 /nfs/dbraw/zinc/56/31/42/556563142.db2.gz HARLHNHNSPKUNX-UHFFFAOYSA-N 0 1 450.611 3.864 50 0 JHAAMN CC(C)OCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2c1=O ZINC000006181386 569588439 /nfs/dbraw/zinc/58/84/39/569588439.db2.gz GDNKTJHVHPIQIN-UHFFFAOYSA-N 0 1 485.606 3.997 50 0 JHAAMN Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1C ZINC000006181254 569588490 /nfs/dbraw/zinc/58/84/90/569588490.db2.gz OGOONSHHTCFRMA-UHFFFAOYSA-N 0 1 489.597 3.943 50 0 JHAAMN CCOC(=O)C1C(CN(C)Cc2ccc(OC)cc2)=NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000057315388 569597013 /nfs/dbraw/zinc/59/70/13/569597013.db2.gz VPFPFAPGLVODRP-OAQYLSRUSA-N 0 1 475.492 3.600 50 0 JHAAMN CN1CCN(c2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)cn2)CC1 ZINC000008724142 569599574 /nfs/dbraw/zinc/59/95/74/569599574.db2.gz WAAAJFBBRQGFKD-QHCPKHFHSA-N 0 1 477.996 3.987 50 0 JHAAMN CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4ccc(Cl)cc4)CC3)=C2C(=O)OC)cc1 ZINC000057415274 569600591 /nfs/dbraw/zinc/60/05/91/569600591.db2.gz QYVFAPACMWKJTB-QHCPKHFHSA-N 0 1 468.985 3.506 50 0 JHAAMN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000064557819 569618279 /nfs/dbraw/zinc/61/82/79/569618279.db2.gz KKHDJIVCSADPFD-NRFANRHFSA-N 0 1 479.510 3.813 50 0 JHAAMN CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[nH]2)c1 ZINC000064579505 569620284 /nfs/dbraw/zinc/62/02/84/569620284.db2.gz BTZNFFVBWHUZSE-UHFFFAOYSA-N 0 1 457.577 3.925 50 0 JHAAMN CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611677 569623137 /nfs/dbraw/zinc/62/31/37/569623137.db2.gz VIKHHTFZAPHNDT-LJQANCHMSA-N 0 1 467.639 3.716 50 0 JHAAMN CCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000065074574 569657177 /nfs/dbraw/zinc/65/71/77/569657177.db2.gz YXHMEKLREBHKLO-UHFFFAOYSA-N 0 1 471.535 3.832 50 0 JHAAMN COc1cc(Cl)c(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c(OC)c1 ZINC000065097478 569661111 /nfs/dbraw/zinc/66/11/11/569661111.db2.gz NWYAKBHIAKACBF-UHFFFAOYSA-N 0 1 498.970 3.506 50 0 JHAAMN Cc1ccc(C)c(N2CCN(C(=O)c3[nH]nc4c3CN(C(=O)CCC3CCCC3)CC4)CC2)c1 ZINC000034831975 569664383 /nfs/dbraw/zinc/66/43/83/569664383.db2.gz ZZIDCKVUBVETDX-UHFFFAOYSA-N 0 1 463.626 3.844 50 0 JHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cn2C)sc1C(=O)N1CCOCC1 ZINC000065137567 569668591 /nfs/dbraw/zinc/66/85/91/569668591.db2.gz TXYXGJHSIPISBT-UHFFFAOYSA-N 0 1 495.026 3.692 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000067204750 569677531 /nfs/dbraw/zinc/67/75/31/569677531.db2.gz LUOZKGMFFYRODV-JOCHJYFZSA-N 0 1 489.403 3.987 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205215 569677722 /nfs/dbraw/zinc/67/77/22/569677722.db2.gz RHCNPEKJKJUTEW-QHCPKHFHSA-N 0 1 468.985 3.642 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3C)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205112 569677782 /nfs/dbraw/zinc/67/77/82/569677782.db2.gz TYFITOWGORPLCX-XMMPIXPASA-N 0 1 483.012 3.950 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205163 569677831 /nfs/dbraw/zinc/67/78/31/569677831.db2.gz HYJIMUWKSNKXHQ-JOCHJYFZSA-N 0 1 489.403 3.987 50 0 JHAAMN O=S(=O)(c1nnn2c1nc(N1CCN(C3CCCCC3)CC1)c1ccccc12)c1ccccc1 ZINC000067262627 569683152 /nfs/dbraw/zinc/68/31/52/569683152.db2.gz ZNNNQNOEDQDDCC-UHFFFAOYSA-N 0 1 476.606 3.565 50 0 JHAAMN CN1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)CC1 ZINC000067613528 569688721 /nfs/dbraw/zinc/68/87/21/569688721.db2.gz IUDWEYBGPKNLDZ-UHFFFAOYSA-N 0 1 477.030 3.519 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067689695 569690175 /nfs/dbraw/zinc/69/01/75/569690175.db2.gz GCHWBVRZSOJGNQ-DEOSSOPVSA-N 0 1 499.011 3.732 50 0 JHAAMN CCCCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@@H](C)c2ccccc2)cc1 ZINC000035421888 569692334 /nfs/dbraw/zinc/69/23/34/569692334.db2.gz UZUZUHHQYNRTIR-JOCHJYFZSA-N 0 1 451.611 3.933 50 0 JHAAMN COc1ccc(CN2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000070036486 569695038 /nfs/dbraw/zinc/69/50/38/569695038.db2.gz MRNHQKSZWLHNOH-QFIPXVFZSA-N 0 1 470.013 3.935 50 0 JHAAMN O=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000035528941 569699955 /nfs/dbraw/zinc/69/99/55/569699955.db2.gz UEBFHZQYGTXSBJ-UHFFFAOYSA-N 0 1 481.616 3.788 50 0 JHAAMN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1cccc(C)c1 ZINC000085653434 569714228 /nfs/dbraw/zinc/71/42/28/569714228.db2.gz USRGASIACPUPKU-UHFFFAOYSA-N 0 1 466.519 3.622 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(OC)cc3)ccc2OC)cc1 ZINC000089453576 569718363 /nfs/dbraw/zinc/71/83/63/569718363.db2.gz PSLQACKBBVRDHE-UHFFFAOYSA-N 0 1 472.519 3.531 50 0 JHAAMN COCCN1CCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035930079 569731535 /nfs/dbraw/zinc/73/15/35/569731535.db2.gz IDJKDHSOOPHCOB-UHFFFAOYSA-N 0 1 481.963 3.626 50 0 JHAAMN COc1ccccc1SCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000096582305 569741923 /nfs/dbraw/zinc/74/19/23/569741923.db2.gz FKDZKMRFMQEWLE-UHFFFAOYSA-N 0 1 458.565 3.634 50 0 JHAAMN CCc1cc(N2CCN(CC)CC2)nc(SCc2cccc(C(=O)NCc3ccccn3)c2)n1 ZINC000036038485 569752474 /nfs/dbraw/zinc/75/24/74/569752474.db2.gz OLUTYHJIIMXRDY-UHFFFAOYSA-N 0 1 476.650 3.798 50 0 JHAAMN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)CC1)c1cccc(F)c1 ZINC000037524975 569793385 /nfs/dbraw/zinc/79/33/85/569793385.db2.gz UQOUQGADPHHQMD-UHFFFAOYSA-N 0 1 478.612 3.925 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000101409156 569797053 /nfs/dbraw/zinc/79/70/53/569797053.db2.gz CTJUCMWBVGATGH-AHQSTGFLSA-N 0 1 479.964 3.503 50 0 JHAAMN O=c1occ(CN2CCN(c3ccc(F)cc3)CC2)c([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101412441 569797307 /nfs/dbraw/zinc/79/73/07/569797307.db2.gz NVNUSXZBLFZYDO-OAQYLSRUSA-N 0 1 463.553 3.796 50 0 JHAAMN O=c1occ(CN2CCN(c3ccc(F)cc3)CC2)c([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101412441 569797308 /nfs/dbraw/zinc/79/73/08/569797308.db2.gz NVNUSXZBLFZYDO-OAQYLSRUSA-N 0 1 463.553 3.796 50 0 JHAAMN COC(=O)c1cccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)c1 ZINC000101828719 569805466 /nfs/dbraw/zinc/80/54/66/569805466.db2.gz JGHNHVCJBCOBDR-UHFFFAOYSA-N 0 1 456.433 3.997 50 0 JHAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450451 569828512 /nfs/dbraw/zinc/82/85/12/569828512.db2.gz UMMUEGAYRWBPDL-UHFFFAOYSA-N 0 1 493.379 3.726 50 0 JHAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103013284 569831758 /nfs/dbraw/zinc/83/17/58/569831758.db2.gz CZDXXTVLUHOGFJ-JTHZHXAOSA-N 0 1 469.516 3.755 50 0 JHAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(C)C(=O)[C@H]12 ZINC000103016852 569831860 /nfs/dbraw/zinc/83/18/60/569831860.db2.gz XBNNTUGQOATRFW-ONFVETCGSA-N 0 1 486.399 3.984 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COC ZINC000105004243 569849699 /nfs/dbraw/zinc/84/96/99/569849699.db2.gz NURVWNZHPAZHMX-RBBKRZOGSA-N 0 1 460.640 3.589 50 0 JHAAMN CC(C)OC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000105004667 569849899 /nfs/dbraw/zinc/84/98/99/569849899.db2.gz OTQOSJTWWMLCFU-NZQKXSOJSA-N 0 1 478.630 3.888 50 0 JHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccc(F)cc1Cl ZINC000051316810 569851192 /nfs/dbraw/zinc/85/11/92/569851192.db2.gz NOMQSMMWFYITBS-UHFFFAOYSA-N 0 1 465.844 3.910 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680331 569870300 /nfs/dbraw/zinc/87/03/00/569870300.db2.gz QLUWLHXIEHHEKB-IFMALSPDSA-N 0 1 490.666 3.759 50 0 JHAAMN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc4nc(C)[nH]c4c3)[C@@H]21 ZINC000217788263 569881644 /nfs/dbraw/zinc/88/16/44/569881644.db2.gz KTOJQBPMFODGGT-RUZDIDTESA-N 0 1 497.511 3.642 50 0 biogenic JHAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000245246814 570059120 /nfs/dbraw/zinc/05/91/20/570059120.db2.gz OVVDUZGLCBHRFU-AVJFOWIRSA-N 0 1 491.469 3.873 50 0 JHAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000245247251 570059407 /nfs/dbraw/zinc/05/94/07/570059407.db2.gz SQQSONVXBXENPA-IMIIHFCZSA-N 0 1 457.917 3.508 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2CCCN21 ZINC000245247918 570059436 /nfs/dbraw/zinc/05/94/36/570059436.db2.gz YWNYZYIBJDIZLN-FZVPRWPTSA-N 0 1 451.526 3.888 50 0 JHAAMN CCC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327907 570065483 /nfs/dbraw/zinc/06/54/83/570065483.db2.gz LEQMHXGNBDVRDC-NZQKXSOJSA-N 0 1 478.630 3.892 50 0 JHAAMN CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C1CC1 ZINC000245329648 570066379 /nfs/dbraw/zinc/06/63/79/570066379.db2.gz URESGDSICBJLBE-DENIHFKCSA-N 0 1 479.042 3.768 50 0 JHAAMN Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCCN21 ZINC000248340555 570078062 /nfs/dbraw/zinc/07/80/62/570078062.db2.gz UWFRZUWQZYUDEX-YDSTWLSQSA-N 0 1 456.329 3.733 50 0 JHAAMN Cc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000253487525 570099828 /nfs/dbraw/zinc/09/98/28/570099828.db2.gz LLJXKGUBFDFFLN-XHHBKWMTSA-N 0 1 494.526 3.783 50 0 JHAAMN COc1ccc([C@H](CC(=O)NCCCc2ccccc2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263585869 570171384 /nfs/dbraw/zinc/17/13/84/570171384.db2.gz NKBCSZXMYLAVHU-FQEVSTJZSA-N 0 1 481.545 3.951 50 0 biogenic JHAAMN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000263587563 570172127 /nfs/dbraw/zinc/17/21/27/570172127.db2.gz IIJVDJIOICZESA-DEOSSOPVSA-N 0 1 491.636 3.790 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)n1 ZINC000001128465 194037805 /nfs/dbraw/zinc/03/78/05/194037805.db2.gz GEWNGQHCHFCZFX-SFHVURJKSA-N 0 1 454.552 3.917 50 0 JHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1 ZINC000001166160 194057767 /nfs/dbraw/zinc/05/77/67/194057767.db2.gz GNYACMWYPGYWAC-UHFFFAOYSA-N 0 1 456.520 3.831 50 0 JHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)n1 ZINC000001228431 194076579 /nfs/dbraw/zinc/07/65/79/194076579.db2.gz ZVPAZKNCWWQWCT-UHFFFAOYSA-N 0 1 467.334 3.910 50 0 JHAAMN COC(=O)[C@H](C)Sc1nc2cc(OC)c(OC)cc2c2nc(O)c(CC3CCCCC3)n21 ZINC000001394617 194114572 /nfs/dbraw/zinc/11/45/72/194114572.db2.gz CPVRMDIAWSEXJL-GUYCJALGSA-N 0 1 459.568 3.927 50 0 JHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1cccc(C(F)(F)F)c1)NCc1cccs1 ZINC000003014278 194206934 /nfs/dbraw/zinc/20/69/34/194206934.db2.gz VNWQQWQQIRQQIQ-UHFFFAOYSA-N 0 1 465.482 3.598 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1C ZINC000003215280 194240332 /nfs/dbraw/zinc/24/03/32/194240332.db2.gz VKMBJSKPUDSSQU-UHFFFAOYSA-N 0 1 483.565 3.906 50 0 JHAAMN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2)cc1C ZINC000009596703 194795462 /nfs/dbraw/zinc/79/54/62/194795462.db2.gz FLPKPFCKBXKMFI-DEOSSOPVSA-N 0 1 481.618 3.942 50 0 JHAAMN CCOC(=O)C1C(COC(=O)c2c(C)onc2-c2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000009642621 194847985 /nfs/dbraw/zinc/84/79/85/194847985.db2.gz QFQUQJLABMAJQB-QFIPXVFZSA-N 0 1 491.500 3.687 50 0 JHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000009908002 195018705 /nfs/dbraw/zinc/01/87/05/195018705.db2.gz KQHPNBGPFCTYTN-UHFFFAOYSA-N 0 1 476.371 3.639 50 0 JHAAMN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)c1 ZINC000009884753 195013653 /nfs/dbraw/zinc/01/36/53/195013653.db2.gz IZCMSRMCEDVXGG-UHFFFAOYSA-N 0 1 474.561 3.717 50 0 JHAAMN Cc1[nH]c(SCC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)nc1Cc1ccccc1 ZINC000009956739 195036784 /nfs/dbraw/zinc/03/67/84/195036784.db2.gz NBTWZKZHPUWGEA-UHFFFAOYSA-N 0 1 485.418 3.994 50 0 JHAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(F)(F)F)c1ccccc1 ZINC000012605600 195051010 /nfs/dbraw/zinc/05/10/10/195051010.db2.gz RTGCTKBHAKDLDZ-UHFFFAOYSA-N 0 1 478.514 3.603 50 0 JHAAMN COc1cccc([C@H](CNC(=O)COc2ccc(F)cc2Br)N2CCCC2)c1 ZINC000012758423 195109601 /nfs/dbraw/zinc/10/96/01/195109601.db2.gz 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JFMCEBYLAIUKFI-RUZDIDTESA-N 0 1 489.664 3.581 50 0 JHAAMN COc1ccc2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)[nH]c2c1 ZINC000009546175 555340552 /nfs/dbraw/zinc/34/05/52/555340552.db2.gz GKNSMHRRAOMLPN-UHFFFAOYSA-N 0 1 474.608 3.785 50 0 JHAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009662391 555368222 /nfs/dbraw/zinc/36/82/22/555368222.db2.gz KLMHPEVGSIDWFZ-UHFFFAOYSA-N 0 1 484.028 3.702 50 0 JHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 ZINC000009587402 555399074 /nfs/dbraw/zinc/39/90/74/555399074.db2.gz AXVPVFPROSPZFZ-UHFFFAOYSA-N 0 1 484.969 3.662 50 0 JHAAMN Cc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)c(C)c1 ZINC000009680132 555407813 /nfs/dbraw/zinc/40/78/13/555407813.db2.gz UMDZDXGWEDQXRM-UHFFFAOYSA-N 0 1 475.570 3.918 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc12 ZINC000009597593 555414742 /nfs/dbraw/zinc/41/47/42/555414742.db2.gz YPNSPMAWYDCFFB-GREBRCKQSA-N 0 1 465.642 3.955 50 0 JHAAMN CCN1CCN(c2ncnc3sc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c(C)c32)CC1 ZINC000009742574 555474204 /nfs/dbraw/zinc/47/42/04/555474204.db2.gz YUALMTUZFBLNCH-UHFFFAOYSA-N 0 1 485.057 3.757 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000013778117 555617460 /nfs/dbraw/zinc/61/74/60/555617460.db2.gz JOEPDZDGXOKZOF-ZRDIBKRKSA-N 0 1 452.488 3.877 50 0 JHAAMN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cc2)cc1 ZINC000010138944 555636139 /nfs/dbraw/zinc/63/61/39/555636139.db2.gz SZMNVBCEPZRKEN-XMMPIXPASA-N 0 1 469.582 3.992 50 0 JHAAMN Cc1ccc2nc(N(CCN(C)C)C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1 ZINC000010186777 555640417 /nfs/dbraw/zinc/64/04/17/555640417.db2.gz ZMYOXIAIUQQGJO-UHFFFAOYSA-N 0 1 492.692 3.662 50 0 JHAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NCc4ccc5c(c4)OCO5)ccc3n2)CC1 ZINC000020153617 555673104 /nfs/dbraw/zinc/67/31/04/555673104.db2.gz QRKCOSAURAHTPO-UHFFFAOYSA-N 0 1 463.607 3.900 50 0 JHAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N2CCc3ccccc32)c1 ZINC000011332919 555773548 /nfs/dbraw/zinc/77/35/48/555773548.db2.gz NVLJUHXXFWNKEW-UHFFFAOYSA-N 0 1 464.543 3.850 50 0 JHAAMN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011412069 555778730 /nfs/dbraw/zinc/77/87/30/555778730.db2.gz OYZIPIXKGSCHRG-UHFFFAOYSA-N 0 1 499.932 3.917 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000014342866 555795431 /nfs/dbraw/zinc/79/54/31/555795431.db2.gz FBHNAQSAIOHFAF-UHFFFAOYSA-N 0 1 497.451 3.790 50 0 JHAAMN COc1ccc(-c2cccc3c2O[C@H](CNC(=O)CSc2nc4ccc(C)cc4[nH]2)C3)nn1 ZINC000011784480 555815890 /nfs/dbraw/zinc/81/58/90/555815890.db2.gz UZAAWNMIPFPTNP-INIZCTEOSA-N 0 1 461.547 3.549 50 0 JHAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000014513778 555816238 /nfs/dbraw/zinc/81/62/38/555816238.db2.gz POVCOCSGFDSCDF-UHFFFAOYSA-N 0 1 456.395 3.960 50 0 JHAAMN CC(C)Cc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)COc2ccccc2)[C@@H]3O)[nH]n1 ZINC000011785009 555817009 /nfs/dbraw/zinc/81/70/09/555817009.db2.gz YVNKGCDYVQNECL-IZLXSDGUSA-N 0 1 488.632 3.753 50 0 JHAAMN CC(C)Cc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)COc2ccccc2)[C@@H]3O)n[nH]1 ZINC000011785009 555817012 /nfs/dbraw/zinc/81/70/12/555817012.db2.gz YVNKGCDYVQNECL-IZLXSDGUSA-N 0 1 488.632 3.753 50 0 JHAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000020572314 555823823 /nfs/dbraw/zinc/82/38/23/555823823.db2.gz CLFFACUDHRYEBL-APSVEGKFSA-N 0 1 494.526 3.783 50 0 JHAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000020572283 555823872 /nfs/dbraw/zinc/82/38/72/555823872.db2.gz BALSSSKUZWURQG-IMBSWCNGSA-N 0 1 498.489 3.614 50 0 JHAAMN COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CCN(CCCc2ccccc2)C3)c1 ZINC000014535841 555824982 /nfs/dbraw/zinc/82/49/82/555824982.db2.gz LPQKFZRFDZGOIE-DEOSSOPVSA-N 0 1 488.632 3.528 50 0 JHAAMN CCOC(=O)C1CCN(Cc2cc3ccc(F)cc3n(Cc3cccc(OC)c3)c2=O)CC1 ZINC000015002648 555847686 /nfs/dbraw/zinc/84/76/86/555847686.db2.gz NAVQMLDBXPVDLN-UHFFFAOYSA-N 0 1 452.526 3.973 50 0 JHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC2(C[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000015004237 555849224 /nfs/dbraw/zinc/84/92/24/555849224.db2.gz LFUMYHKUULROAB-HSZRJFAPSA-N 0 1 469.589 3.668 50 0 JHAAMN COCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012003115 555882754 /nfs/dbraw/zinc/88/27/54/555882754.db2.gz OMMCYIDOPMBPTR-UHFFFAOYSA-N 0 1 486.620 3.665 50 0 JHAAMN Cc1ncc2c(c1CNC(=O)CN1CCCCC1)CCN(C(=O)Cc1cccc(C(F)(F)F)c1)C2 ZINC000012099853 555907176 /nfs/dbraw/zinc/90/71/76/555907176.db2.gz SZBVSQSHAVXVQU-UHFFFAOYSA-N 0 1 488.554 3.638 50 0 JHAAMN CCCc1cc(CN(C)C(=O)c2cc(NC(=O)COC)cc3ncn(Cc4ccc(F)cc4)c32)n[nH]1 ZINC000012151370 555923815 /nfs/dbraw/zinc/92/38/15/555923815.db2.gz XQGIRPJEGRVTLY-UHFFFAOYSA-N 0 1 492.555 3.756 50 0 JHAAMN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)ccc3OCC)ccc21 ZINC000012180448 555934656 /nfs/dbraw/zinc/93/46/56/555934656.db2.gz GXOJARNREGRZQB-UHFFFAOYSA-N 0 1 452.598 3.687 50 0 JHAAMN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000012391244 555974222 /nfs/dbraw/zinc/97/42/22/555974222.db2.gz CRODLNHZCDQGIX-XMMPIXPASA-N 0 1 457.534 3.875 50 0 JHAAMN Cc1ccccc1[C@H](OC[C@@H](O)CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)c1ccccc1 ZINC000022933881 555986711 /nfs/dbraw/zinc/98/67/11/555986711.db2.gz RQVMTNHOAKTURR-PWUYWRBVSA-N 0 1 498.627 3.516 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)[NH+](C)C)cc1 ZINC000012526228 555994433 /nfs/dbraw/zinc/99/44/33/555994433.db2.gz RWWBQPVABBVABB-XMMPIXPASA-N 0 1 485.581 3.976 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c2)cc1 ZINC000012544751 556020792 /nfs/dbraw/zinc/02/07/92/556020792.db2.gz BZPQXLKMVWNXBW-JOCHJYFZSA-N 0 1 469.563 3.656 50 0 JHAAMN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)no1 ZINC000012548691 556027680 /nfs/dbraw/zinc/02/76/80/556027680.db2.gz KFHDRZNCRWNBNN-UHFFFAOYSA-N 0 1 482.547 3.513 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1NC(C)=O ZINC000012552436 556035209 /nfs/dbraw/zinc/03/52/09/556035209.db2.gz GZNNXOFXWWULHN-UHFFFAOYSA-N 0 1 454.430 3.659 50 0 JHAAMN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000012561183 556054022 /nfs/dbraw/zinc/05/40/22/556054022.db2.gz QKAJYEMOOCSHRT-UHFFFAOYSA-N 0 1 454.879 3.700 50 0 JHAAMN COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000015896544 556062173 /nfs/dbraw/zinc/06/21/73/556062173.db2.gz ORWHORXPBSQZEC-UHFFFAOYSA-N 0 1 486.331 3.839 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967653 556093868 /nfs/dbraw/zinc/09/38/68/556093868.db2.gz GJHUCIUAAVMMTF-YDXRHMNESA-N 0 1 479.580 3.509 50 0 biogenic JHAAMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023909066 556100624 /nfs/dbraw/zinc/10/06/24/556100624.db2.gz WXQOIKIGJRJHPE-UHFFFAOYSA-N 0 1 478.618 3.549 50 0 JHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](C(C)C)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016011452 556110231 /nfs/dbraw/zinc/11/02/31/556110231.db2.gz MXKFEDHXEOFVAP-RGKFVRLKSA-N 0 1 472.372 3.878 50 0 JHAAMN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000012975153 556167211 /nfs/dbraw/zinc/16/72/11/556167211.db2.gz SHQSPODCOAIIQV-YADHBBJMSA-N 0 1 485.650 3.509 50 0 JHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)n1 ZINC000017012848 556203152 /nfs/dbraw/zinc/20/31/52/556203152.db2.gz IGAIRFYAMGRCOC-UHFFFAOYSA-N 0 1 477.634 3.538 50 0 JHAAMN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)c(OC)c1 ZINC000017135605 556222358 /nfs/dbraw/zinc/22/23/58/556222358.db2.gz NTQLHKDWJQEWRU-UHFFFAOYSA-N 0 1 485.504 3.593 50 0 JHAAMN COc1ccc(S(=O)(=O)CC(=O)N(CCCN(C)C)c2nc3c(cccc3Cl)s2)cc1 ZINC000013036547 556232064 /nfs/dbraw/zinc/23/20/64/556232064.db2.gz JYFHSEJGXSTOCJ-UHFFFAOYSA-N 0 1 482.027 3.717 50 0 JHAAMN 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UMZGFKXJCWQLKC-AWEZNQCLSA-N 0 1 468.934 3.838 50 0 JHAAMN COc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000009635338 555342491 /nfs/dbraw/zinc/34/24/91/555342491.db2.gz OVLXEQYOGFTANC-UHFFFAOYSA-N 0 1 480.542 3.551 50 0 JHAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009594138 555409832 /nfs/dbraw/zinc/40/98/32/555409832.db2.gz USDADBSVDBJMKS-UHFFFAOYSA-N 0 1 471.608 3.767 50 0 JHAAMN CCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000009696428 555425492 /nfs/dbraw/zinc/42/54/92/555425492.db2.gz AXMFTAFFDMMRHC-UHFFFAOYSA-N 0 1 470.551 3.562 50 0 JHAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)n2)cc1 ZINC000009725387 555458258 /nfs/dbraw/zinc/45/82/58/555458258.db2.gz JKIKNVRGYDHJII-HNNXBMFYSA-N 0 1 473.624 3.712 50 0 JHAAMN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000013552065 555492274 /nfs/dbraw/zinc/49/22/74/555492274.db2.gz QAFXDDBDHYYXRG-CYBMUJFWSA-N 0 1 458.353 3.716 50 0 JHAAMN Cc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000013592634 555527526 /nfs/dbraw/zinc/52/75/26/555527526.db2.gz HCAXZNVTTPBCCR-MVPDCNEZSA-N 0 1 476.536 3.644 50 0 JHAAMN Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000013592559 555527587 /nfs/dbraw/zinc/52/75/87/555527587.db2.gz RDJFQKHXCFCVKJ-UHFFFAOYSA-N 0 1 477.594 3.852 50 0 JHAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccc(F)c(Cl)c1 ZINC000010272422 555665967 /nfs/dbraw/zinc/66/59/67/555665967.db2.gz VYTNCDDDEKIDAJ-UHFFFAOYSA-N 0 1 488.349 3.779 50 0 JHAAMN CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]2)c1 ZINC000010272764 555667028 /nfs/dbraw/zinc/66/70/28/555667028.db2.gz HWTCECMWICFLPY-UHFFFAOYSA-N 0 1 463.968 3.549 50 0 JHAAMN COc1ccc(CNC(=S)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c(OC)c1 ZINC000020153885 555673360 /nfs/dbraw/zinc/67/33/60/555673360.db2.gz CWQVOQKOGOUGLS-UHFFFAOYSA-N 0 1 465.623 3.799 50 0 JHAAMN COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2=O)cc1 ZINC000014137636 555704539 /nfs/dbraw/zinc/70/45/39/555704539.db2.gz RBUYHAQUHVROAJ-DEOSSOPVSA-N 0 1 493.520 3.655 50 0 JHAAMN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CSc1nc2ccc(OCC)cc2[nH]1 ZINC000010732363 555736721 /nfs/dbraw/zinc/73/67/21/555736721.db2.gz VCMHCKIOMHGYPT-UHFFFAOYSA-N 0 1 476.580 3.599 50 0 JHAAMN O=C(CSc1ncccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000014241736 555743139 /nfs/dbraw/zinc/74/31/39/555743139.db2.gz QYIITOPZTNEDHC-FQEVSTJZSA-N 0 1 490.585 3.545 50 0 JHAAMN COc1cccc([C@@H](CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)N2CCCC2)c1 ZINC000014246056 555748820 /nfs/dbraw/zinc/74/88/20/555748820.db2.gz YOOIZDYFWCLXBX-XMMPIXPASA-N 0 1 485.650 3.745 50 0 JHAAMN CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cc(C)ccc2C)c(=O)[nH]1 ZINC000020355861 555784936 /nfs/dbraw/zinc/78/49/36/555784936.db2.gz RZDGDANNMXYEGL-UHFFFAOYSA-N 0 1 457.577 3.513 50 0 JHAAMN Cc1cc(NC(=O)COc2cccc(C)c2)n(-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)n1 ZINC000011695397 555802196 /nfs/dbraw/zinc/80/21/96/555802196.db2.gz UCCYWZXCFCZSMS-UHFFFAOYSA-N 0 1 469.505 3.650 50 0 JHAAMN O=C(Nc1cccc(C(F)(F)F)c1)c1cncc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000020532772 555803555 /nfs/dbraw/zinc/80/35/55/555803555.db2.gz CMIBWKGESLGBGW-UHFFFAOYSA-N 0 1 479.436 3.925 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560236 555811037 /nfs/dbraw/zinc/81/10/37/555811037.db2.gz UEFQDOZZSAXIQL-RUZDIDTESA-N 0 1 462.594 3.605 50 0 JHAAMN COc1ccc2nc(CCNC(=O)CC[C@@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)[nH]c2c1 ZINC000011784546 555816207 /nfs/dbraw/zinc/81/62/07/555816207.db2.gz GKYJTIJGUMIJJN-DEOSSOPVSA-N 0 1 454.958 3.555 50 0 JHAAMN COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(Cc4cccnc4)CC3)C2=O)c1 ZINC000014537759 555827317 /nfs/dbraw/zinc/82/73/17/555827317.db2.gz CYDRCADQVFPWHM-UHFFFAOYSA-N 0 1 450.583 3.935 50 0 JHAAMN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000014540896 555831075 /nfs/dbraw/zinc/83/10/75/555831075.db2.gz SHSHRYRCGDVDLV-NRFANRHFSA-N 0 1 456.034 3.769 50 0 JHAAMN CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 ZINC000020600773 555841759 /nfs/dbraw/zinc/84/17/59/555841759.db2.gz YBDBVLNCOGLQCW-MRXNPFEDSA-N 0 1 455.509 3.504 50 0 JHAAMN O=C([C@H]1COc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)ccc2O1)N1CCCCC1 ZINC000020603027 555844091 /nfs/dbraw/zinc/84/40/91/555844091.db2.gz LXDHMWDPJCXFGS-LJQANCHMSA-N 0 1 470.469 3.659 50 0 JHAAMN Cc1cc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)ccc1N1CCN(C)CC1 ZINC000022020619 555862684 /nfs/dbraw/zinc/86/26/84/555862684.db2.gz PITOUPJWAHOQHB-UHFFFAOYSA-N 0 1 453.564 3.566 50 0 JHAAMN COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)cc1 ZINC000012124196 555909654 /nfs/dbraw/zinc/90/96/54/555909654.db2.gz VKSWDKQMNXAOFV-GMAHTHKFSA-N 0 1 491.632 3.646 50 0 JHAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 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CWOVXTDJACMPOL-UHFFFAOYSA-N 0 1 472.564 3.787 50 0 JHAAMN C[NH+](C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC000012521469 555993000 /nfs/dbraw/zinc/99/30/00/555993000.db2.gz NFAYEOCPWOPVPR-JOCHJYFZSA-N 0 1 459.518 3.798 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000012543523 556019485 /nfs/dbraw/zinc/01/94/85/556019485.db2.gz OFSZHNMDHMQYGJ-UHFFFAOYSA-N 0 1 458.562 3.908 50 0 JHAAMN COc1ccc(OC)c(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1 ZINC000015856122 556024294 /nfs/dbraw/zinc/02/42/94/556024294.db2.gz YGTXYRRROMGLCO-UHFFFAOYSA-N 0 1 451.611 3.881 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000012548570 556026862 /nfs/dbraw/zinc/02/68/62/556026862.db2.gz DLUTZUAELYIVHD-MRXNPFEDSA-N 0 1 456.520 3.916 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1 ZINC000012552204 556034980 /nfs/dbraw/zinc/03/49/80/556034980.db2.gz JJRJCNPMLUMNGC-VWLOTQADSA-N 0 1 495.601 3.818 50 0 JHAAMN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000023257271 556035881 /nfs/dbraw/zinc/03/58/81/556035881.db2.gz MSPLITAAJAVEPC-MUUNZHRXSA-N 0 1 472.589 3.781 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015971754 556096980 /nfs/dbraw/zinc/09/69/80/556096980.db2.gz PJTALRNXCZCXBX-SODQHWRNSA-N 0 1 490.563 3.952 50 0 JHAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000016011998 556111034 /nfs/dbraw/zinc/11/10/34/556111034.db2.gz SQQSONVXBXENPA-MSZDEVHKSA-N 0 1 457.917 3.508 50 0 JHAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000016012321 556111362 /nfs/dbraw/zinc/11/13/62/556111362.db2.gz SBUHXOXFWDEFOA-PBWVOLNLSA-N 0 1 476.385 3.672 50 0 JHAAMN O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016020251 556113059 /nfs/dbraw/zinc/11/30/59/556113059.db2.gz JBONLAHGEHZHAV-NLJXWPIHSA-N 0 1 486.547 3.603 50 0 JHAAMN CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(CC(=O)OCc2ccccc2)C1=O ZINC000016534203 556142762 /nfs/dbraw/zinc/14/27/62/556142762.db2.gz VRFMPMVUVGOBHG-BKUYFWCQSA-N 0 1 494.935 3.820 50 0 JHAAMN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)CC1 ZINC000024926087 556163780 /nfs/dbraw/zinc/16/37/80/556163780.db2.gz FEPSUBQGDHEGDO-UHFFFAOYSA-N 0 1 455.002 3.891 50 0 JHAAMN O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000012973125 556164931 /nfs/dbraw/zinc/16/49/31/556164931.db2.gz YZUXWCOIBJNQOH-UHFFFAOYSA-N 0 1 460.895 3.505 50 0 JHAAMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)n2)cc1 ZINC000013006752 556198443 /nfs/dbraw/zinc/19/84/43/556198443.db2.gz XAKXDMRWWASGJU-CALCHBBNSA-N 0 1 453.568 3.699 50 0 JHAAMN COc1ccc(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[nH]1 ZINC000017026014 556205395 /nfs/dbraw/zinc/20/53/95/556205395.db2.gz XARKDHZQELNPIZ-UHFFFAOYSA-N 0 1 473.576 3.680 50 0 JHAAMN Cc1sc2nc(CN3CCN(C[C@@H](O)CO[C@H](C)c4ccc(Cl)cc4)CC3)[nH]c(=O)c2c1C ZINC000025229405 556205915 /nfs/dbraw/zinc/20/59/15/556205915.db2.gz HPUSREDQHCVTOK-OXQOHEQNSA-N 0 1 491.057 3.511 50 0 JHAAMN CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)C(C)C ZINC000025258366 556206471 /nfs/dbraw/zinc/20/64/71/556206471.db2.gz XOTHEGATXMRNBW-DEOSSOPVSA-N 0 1 452.599 3.539 50 0 JHAAMN COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2cccc(C)c2C)c(=O)[nH]1 ZINC000017135712 556222665 /nfs/dbraw/zinc/22/26/65/556222665.db2.gz RVZXVIRWORZPPF-UHFFFAOYSA-N 0 1 499.531 3.658 50 0 JHAAMN COc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)C(C)C)cc1 ZINC000013073307 556272812 /nfs/dbraw/zinc/27/28/12/556272812.db2.gz NBYJVXGUHPFYSL-RPBOFIJWSA-N 0 1 467.610 3.802 50 0 JHAAMN COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)[NH+](C)C)c1 ZINC000018017023 556276728 /nfs/dbraw/zinc/27/67/28/556276728.db2.gz KZHJPXJNBJMIQH-DEOSSOPVSA-N 0 1 467.591 3.837 50 0 JHAAMN CCOc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCC(=O)Nc1ccccc1 ZINC000018053659 556280849 /nfs/dbraw/zinc/28/08/49/556280849.db2.gz ZZXBAXUHWVEARG-HSZRJFAPSA-N 0 1 456.506 3.949 50 0 JHAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000027507848 556282037 /nfs/dbraw/zinc/28/20/37/556282037.db2.gz CZKKJEHVLMXQMQ-LJQANCHMSA-N 0 1 454.552 3.953 50 0 JHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(OC)c1OC ZINC000018125636 556291501 /nfs/dbraw/zinc/29/15/01/556291501.db2.gz JWRCGTJYUIJFDO-ZDXQCDESSA-N 0 1 478.476 3.903 50 0 JHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)cc2)n1 ZINC000027749646 556305521 /nfs/dbraw/zinc/30/55/21/556305521.db2.gz YSGIQCBRNFPECO-OAHLLOKOSA-N 0 1 491.529 3.817 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(Cc3cccc(C)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000028631979 556338310 /nfs/dbraw/zinc/33/83/10/556338310.db2.gz IRZQEQYSNNHSTN-AREMUKBSSA-N 0 1 476.621 3.716 50 0 JHAAMN O=C(CCN1CCN(CCO)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000019338446 556342976 /nfs/dbraw/zinc/34/29/76/556342976.db2.gz KRMKBOUUDPUIDK-UHFFFAOYSA-N 0 1 451.514 3.835 50 0 biogenic,in-man JHAAMN Cc1cccc(N2CCN(CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CC2)c1 ZINC000028891972 556343680 /nfs/dbraw/zinc/34/36/80/556343680.db2.gz WZHHXNFINCVCJT-UHFFFAOYSA-N 0 1 491.057 3.584 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000019622352 556357963 /nfs/dbraw/zinc/35/79/63/556357963.db2.gz OPTUBKHUNQLGNK-QHCPKHFHSA-N 0 1 480.542 3.673 50 0 JHAAMN Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCC(C)CC4)c(=O)c3c2)cc1C ZINC000006181255 569588511 /nfs/dbraw/zinc/58/85/11/569588511.db2.gz JBNBCDANOOTAKN-UHFFFAOYSA-N 0 1 467.591 3.842 50 0 JHAAMN O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000057265407 569595162 /nfs/dbraw/zinc/59/51/62/569595162.db2.gz FGAJVDTYCVDWAV-CYBMUJFWSA-N 0 1 496.923 3.718 50 0 JHAAMN COc1cccc(CN(CC(=O)NCCc2ccc(OC(F)F)cc2)C2CCC(O)CC2)c1 ZINC000057265604 569595170 /nfs/dbraw/zinc/59/51/70/569595170.db2.gz PHZVMUUICOCMNJ-UHFFFAOYSA-N 0 1 462.537 3.761 50 0 JHAAMN COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2ccc(Br)cc23)cc1 ZINC000061999536 569610200 /nfs/dbraw/zinc/61/02/00/569610200.db2.gz JODIFPBJYCLMPJ-REDKUUPNSA-N 0 1 490.423 3.975 50 0 biogenic JHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)ccc3C)[nH]c2=O)c(C)c1 ZINC000064579530 569620434 /nfs/dbraw/zinc/62/04/34/569620434.db2.gz YWNSXTQOQCLINA-UHFFFAOYSA-N 0 1 457.577 3.979 50 0 JHAAMN Cc1cccc(-c2csc3c2[nH]c(N2CCC(C(=O)N4CCN(C(C)C)CC4)CC2)nc3=O)c1 ZINC000064611849 569623027 /nfs/dbraw/zinc/62/30/27/569623027.db2.gz HLMNBDBRNPYNGH-UHFFFAOYSA-N 0 1 479.650 3.729 50 0 JHAAMN CCn1c2c(C(=O)NCc3ccccc3Cl)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835890 569636580 /nfs/dbraw/zinc/63/65/80/569636580.db2.gz GOKVTKLVQQOIMW-UHFFFAOYSA-N 0 1 475.980 3.658 50 0 JHAAMN Cn1ncc2c3ccccc3n(CC(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)c2c1=O ZINC000064839338 569637263 /nfs/dbraw/zinc/63/72/63/569637263.db2.gz RKIKRFMCSOQWQT-UHFFFAOYSA-N 0 1 477.996 3.570 50 0 JHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cccc(-n4nnc5cccnc54)c3C)CC2)c1 ZINC000064925848 569646571 /nfs/dbraw/zinc/64/65/71/569646571.db2.gz CMXITCOLVAHCAH-UHFFFAOYSA-N 0 1 483.620 3.683 50 0 JHAAMN CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@@H]3C)c2)cc1 ZINC000065025269 569650468 /nfs/dbraw/zinc/65/04/68/569650468.db2.gz YRTMFOFZUDXCPR-FQEVSTJZSA-N 0 1 499.681 3.505 50 0 JHAAMN CC(C)COc1ccc(-c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[n-]2)cc1 ZINC000034763930 569658265 /nfs/dbraw/zinc/65/82/65/569658265.db2.gz CXQZALYCRATDBQ-UHFFFAOYSA-N 0 1 475.593 3.556 50 0 JHAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)Cc1ccccc1 ZINC000034834522 569664748 /nfs/dbraw/zinc/66/47/48/569664748.db2.gz VVXXLZLPBZSLQA-UHFFFAOYSA-N 0 1 493.627 3.679 50 0 JHAAMN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000065116608 569666530 /nfs/dbraw/zinc/66/65/30/569666530.db2.gz DATYQGFCUUQHGB-UHFFFAOYSA-N 0 1 450.517 3.591 50 0 JHAAMN COc1ccc(CNC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc3ccccc32)cc1 ZINC000034861134 569667773 /nfs/dbraw/zinc/66/77/73/569667773.db2.gz PWHBMQBRXPUPMA-UHFFFAOYSA-N 0 1 471.542 3.679 50 0 JHAAMN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000065318904 569673223 /nfs/dbraw/zinc/67/32/23/569673223.db2.gz URMVFURSERCTEM-UHFFFAOYSA-N 0 1 461.931 3.520 50 0 JHAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)[nH]n2)c(OC)c1 ZINC000067197143 569677304 /nfs/dbraw/zinc/67/73/04/569677304.db2.gz CCDFKFSNDMAVSX-UHFFFAOYSA-N 0 1 484.578 3.911 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205171 569677755 /nfs/dbraw/zinc/67/77/55/569677755.db2.gz LSKYTUBPECBXJW-JOCHJYFZSA-N 0 1 489.403 3.987 50 0 JHAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(F)cc1)=N2 ZINC000035373010 569683412 /nfs/dbraw/zinc/68/34/12/569683412.db2.gz HGBCTHHDGWYPIN-UHFFFAOYSA-N 0 1 454.527 3.549 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287073 569684351 /nfs/dbraw/zinc/68/43/51/569684351.db2.gz LGBNIPAMPQGLJP-DEOSSOPVSA-N 0 1 480.634 3.710 50 0 JHAAMN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCN4CCc5ccccc5C4)C3)nn2)cc1 ZINC000035398140 569688825 /nfs/dbraw/zinc/68/88/25/569688825.db2.gz LYDNODXNBPAXHH-VWLOTQADSA-N 0 1 455.606 3.843 50 0 JHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1 ZINC000035399017 569689382 /nfs/dbraw/zinc/68/93/82/569689382.db2.gz DCZCLSJUEYWQEW-UHFFFAOYSA-N 0 1 499.633 3.814 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067689699 569690089 /nfs/dbraw/zinc/69/00/89/569690089.db2.gz OPJXEYVXKIADQL-DEOSSOPVSA-N 0 1 499.011 3.732 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067689727 569690110 /nfs/dbraw/zinc/69/01/10/569690110.db2.gz XYFIPUSCMPQXEI-SANMLTNESA-N 0 1 492.620 3.695 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067689743 569690237 /nfs/dbraw/zinc/69/02/37/569690237.db2.gz OJTIGELVFUGSFD-DEOSSOPVSA-N 0 1 499.011 3.732 50 0 JHAAMN C[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000035421885 569692308 /nfs/dbraw/zinc/69/23/08/569692308.db2.gz RONMGGIJAHJVGO-GOSISDBHSA-N 0 1 458.400 3.517 50 0 JHAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(NC(=O)Cc3cccs3)cc1)CC(=O)N2 ZINC000079493756 569707611 /nfs/dbraw/zinc/70/76/11/569707611.db2.gz HFQHEMBQBLUDMD-KRWDZBQOSA-N 0 1 484.545 3.564 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000089614070 569719143 /nfs/dbraw/zinc/71/91/43/569719143.db2.gz MOQOVOIUIDNGSO-UHFFFAOYSA-N 0 1 468.531 3.908 50 0 JHAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000035877110 569719793 /nfs/dbraw/zinc/71/97/93/569719793.db2.gz MEKLBGGNMFECRK-SQJMNOBHSA-N 0 1 466.969 3.554 50 0 JHAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000035877110 569719794 /nfs/dbraw/zinc/71/97/94/569719794.db2.gz MEKLBGGNMFECRK-SQJMNOBHSA-N 0 1 466.969 3.554 50 0 JHAAMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1Cl ZINC000095947235 569731121 /nfs/dbraw/zinc/73/11/21/569731121.db2.gz ZFHFXSKMMNJPBL-REWPJTCUSA-N 0 1 455.986 3.899 50 0 JHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344197 569766961 /nfs/dbraw/zinc/76/69/61/569766961.db2.gz MUQPORKCNZTBQK-RUZDIDTESA-N 0 1 464.610 3.636 50 0 JHAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC(F)(F)F ZINC000036575880 569776756 /nfs/dbraw/zinc/77/67/56/569776756.db2.gz JJMKZHGHCYFEMC-NQIIRXRSSA-N 0 1 488.466 3.750 50 0 JHAAMN O=C1c2ccccc2/C(=C\NCCCN2CCOCC2)C(=O)N1c1cc(Cl)ccc1Cl ZINC000101283393 569789044 /nfs/dbraw/zinc/78/90/44/569789044.db2.gz JITRLSPRQMVLDI-XDJHFCHBSA-N 0 1 460.361 3.833 50 0 JHAAMN CCOc1ccccc1NS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000102289367 569811904 /nfs/dbraw/zinc/81/19/04/569811904.db2.gz BQJBBUMKFKWBFI-KDURUIRLSA-N 0 1 456.564 3.870 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000105003998 569849344 /nfs/dbraw/zinc/84/93/44/569849344.db2.gz IDJVGAWZGBXTDF-NZQKXSOJSA-N 0 1 478.630 3.890 50 0 JHAAMN O=C(CN[C@@H](CN1CCOCC1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000049600805 569849563 /nfs/dbraw/zinc/84/95/63/569849563.db2.gz WSMRWWIUQMLPED-NDEPHWFRSA-N 0 1 457.618 3.988 50 0 JHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000051316502 569850665 /nfs/dbraw/zinc/85/06/65/569850665.db2.gz PRRFYWPEARRMQI-UHFFFAOYSA-N 0 1 455.927 3.892 50 0 JHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)NCc2ccccc2Cl)cc1 ZINC000051316543 569850701 /nfs/dbraw/zinc/85/07/01/569850701.db2.gz UICKAOFQECQOID-UHFFFAOYSA-N 0 1 469.954 3.569 50 0 JHAAMN COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(OC)c(Cl)c2)cc1 ZINC000051316577 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/nfs/dbraw/zinc/29/15/98/554291598.db2.gz YWOPDCTZTYEKIF-UHFFFAOYSA-N 0 1 463.968 3.962 50 0 JHAAMN C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5cnc[nH]5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000008740289 554642373 /nfs/dbraw/zinc/64/23/73/554642373.db2.gz WVKNKNKVHAFAEV-GMGMNIKZSA-N 0 1 478.637 3.768 50 0 biogenic JHAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)[nH]n2)c1 ZINC000008845440 554742540 /nfs/dbraw/zinc/74/25/40/554742540.db2.gz NRTUCVQEUWTUCT-CQSZACIVSA-N 0 1 466.563 3.802 50 0 JHAAMN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cc12 ZINC000009056415 554874745 /nfs/dbraw/zinc/87/47/45/554874745.db2.gz WIVJPIPMWWRWRY-UHFFFAOYSA-N 0 1 465.579 3.908 50 0 JHAAMN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(c2ccccc2OC)CC1 ZINC000009111143 554898587 /nfs/dbraw/zinc/89/85/87/554898587.db2.gz WGYQDHJOUFKECJ-UHFFFAOYSA-N 0 1 450.539 3.504 50 0 JHAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)[nH]n2)c1 ZINC000009124435 554915503 /nfs/dbraw/zinc/91/55/03/554915503.db2.gz SXYVLOHEMSYABA-UHFFFAOYSA-N 0 1 454.552 3.908 50 0 JHAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)[nH]n2)c1 ZINC000009124324 554915550 /nfs/dbraw/zinc/91/55/50/554915550.db2.gz KBPKOOJFWCCQSF-INIZCTEOSA-N 0 1 454.552 3.906 50 0 JHAAMN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000009203043 554973289 /nfs/dbraw/zinc/97/32/89/554973289.db2.gz NMZIMKHGRBRENV-UHFFFAOYSA-N 0 1 479.514 3.595 50 0 JHAAMN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000009226093 554998717 /nfs/dbraw/zinc/99/87/17/554998717.db2.gz JLMRLUQFCJWPAD-UHFFFAOYSA-N 0 1 471.922 3.649 50 0 JHAAMN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCN(Cc1ccco1)C1CCCC1 ZINC000009268890 555044263 /nfs/dbraw/zinc/04/42/63/555044263.db2.gz NSJDFOCVBPRUEB-UHFFFAOYSA-N 0 1 459.568 3.975 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000009315777 555091172 /nfs/dbraw/zinc/09/11/72/555091172.db2.gz NISSLYMUYLBBQA-LOSJGSFVSA-N 0 1 475.589 3.973 50 0 JHAAMN O=C(COCc1cc(-c2ccc(F)cc2)on1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000009436357 555207823 /nfs/dbraw/zinc/20/78/23/555207823.db2.gz RHUZTFIZPAQHJZ-UHFFFAOYSA-N 0 1 486.975 3.979 50 0 JHAAMN CC(=O)c1ccc(OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000009444479 555217647 /nfs/dbraw/zinc/21/76/47/555217647.db2.gz JPFJSTXWMGWQEQ-QHCPKHFHSA-N 0 1 486.568 3.790 50 0 JHAAMN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000009469870 555253175 /nfs/dbraw/zinc/25/31/75/555253175.db2.gz KZNVDACTUFURAB-UHFFFAOYSA-N 0 1 494.617 3.524 50 0 JHAAMN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1cccc(Br)c1 ZINC000009491060 555267753 /nfs/dbraw/zinc/26/77/53/555267753.db2.gz CEKZTJFJNOVJGS-UHFFFAOYSA-N 0 1 491.429 3.679 50 0 JHAAMN Cc1c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3F)n[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000009514661 555305444 /nfs/dbraw/zinc/30/54/44/555305444.db2.gz CYYZEWKIEGUJMW-AWEZNQCLSA-N 0 1 452.515 3.528 50 0 JHAAMN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009528443 555322560 /nfs/dbraw/zinc/32/25/60/555322560.db2.gz RGVDQXODLIXHNL-NRFANRHFSA-N 0 1 484.087 3.733 50 0 JHAAMN COc1ccc2nc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)[nH]c2c1 ZINC000009664717 555374686 /nfs/dbraw/zinc/37/46/86/555374686.db2.gz PDVYXCAAMRPBPU-UHFFFAOYSA-N 0 1 474.608 3.785 50 0 JHAAMN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009666757 555379950 /nfs/dbraw/zinc/37/99/50/555379950.db2.gz NFFQGOHMSIJCEC-UHFFFAOYSA-N 0 1 490.069 3.838 50 0 JHAAMN Cc1cccc2sc(N(CCCN(C)C)C(=O)CCS(=O)(=O)c3ccc(F)cc3)nc21 ZINC000009707952 555432063 /nfs/dbraw/zinc/43/20/63/555432063.db2.gz QHRNTZSPVKFYDK-UHFFFAOYSA-N 0 1 463.600 3.893 50 0 JHAAMN O=S(=O)(c1cccc(CSc2nc(-c3ccccc3Br)n[nH]2)c1)N1CCOCC1 ZINC000009724498 555456958 /nfs/dbraw/zinc/45/69/58/555456958.db2.gz VFVFGFQGUMNWCV-UHFFFAOYSA-N 0 1 495.424 3.547 50 0 JHAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)N1CCCC1 ZINC000009729001 555463563 /nfs/dbraw/zinc/46/35/63/555463563.db2.gz PTJSEMIHKXDNKD-QHCPKHFHSA-N 0 1 485.650 3.745 50 0 JHAAMN O=c1/c(=C/c2cc(I)cc(Br)c2O)sc2nc3ccccc3n12 ZINC000009846164 555545732 /nfs/dbraw/zinc/54/57/32/555545732.db2.gz SDGYYUUMVXTEJM-MLPAPPSSSA-N 0 1 499.127 3.530 50 0 JHAAMN CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000013815609 555629392 /nfs/dbraw/zinc/62/93/92/555629392.db2.gz DTMMRGKUCSLGOK-KEXUJGGDSA-N 0 1 458.345 3.570 50 0 JHAAMN O=S(=O)(c1cccc(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1)N1CCOCC1 ZINC000014129156 555698578 /nfs/dbraw/zinc/69/85/78/555698578.db2.gz IYEIVXQMTGKMSF-IBGZPJMESA-N 0 1 457.621 3.697 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213945 555708368 /nfs/dbraw/zinc/70/83/68/555708368.db2.gz JHFRIGOOTJWOHC-QFIPXVFZSA-N 0 1 489.403 3.987 50 0 JHAAMN C[C@H](NCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000014183665 555725077 /nfs/dbraw/zinc/72/50/77/555725077.db2.gz OGLKKOORJUTMCZ-FDDCHVKYSA-N 0 1 450.560 3.908 50 0 JHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NCCc4ccc(OC)c(OC)c4)c3=O)c2c1 ZINC000020330537 555775903 /nfs/dbraw/zinc/77/59/03/555775903.db2.gz IWMLKBXZVOOIEC-UHFFFAOYSA-N 0 1 496.589 3.705 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560240 555811063 /nfs/dbraw/zinc/81/10/63/555811063.db2.gz SNIWJUNLKZLXSE-NBGIEHNGSA-N 0 1 462.594 3.685 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000020570147 555823190 /nfs/dbraw/zinc/82/31/90/555823190.db2.gz IJRHXTYLZFFPFV-UHFFFAOYSA-N 0 1 485.587 3.788 50 0 JHAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000020572281 555823864 /nfs/dbraw/zinc/82/38/64/555823864.db2.gz BALSSSKUZWURQG-DFIMXKNXSA-N 0 1 498.489 3.614 50 0 JHAAMN COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1cccc(F)c1F)CC2 ZINC000014540968 555831494 /nfs/dbraw/zinc/83/14/94/555831494.db2.gz JCRFCWPXXBVAIL-UHFFFAOYSA-N 0 1 487.547 3.809 50 0 JHAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000011858375 555838168 /nfs/dbraw/zinc/83/81/68/555838168.db2.gz IHKKFOQSTKXIHZ-UHFFFAOYSA-N 0 1 480.608 3.809 50 0 JHAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000011914914 555865588 /nfs/dbraw/zinc/86/55/88/555865588.db2.gz MUJNXVLLTADOKF-QHCPKHFHSA-N 0 1 467.522 3.698 50 0 JHAAMN COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000015070122 555869799 /nfs/dbraw/zinc/86/97/99/555869799.db2.gz UCKCESPPDGPTDM-SIXWZSSISA-N 0 1 474.966 3.756 50 0 JHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1[C@H]1CCS(=O)(=O)C1 ZINC000012062494 555899984 /nfs/dbraw/zinc/89/99/84/555899984.db2.gz ALXKMRGFDAXFSM-YUNKPMOVSA-N 0 1 478.357 3.821 50 0 JHAAMN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)N2CCCCC2)cc1 ZINC000015478329 555910717 /nfs/dbraw/zinc/91/07/17/555910717.db2.gz WULLAGNMSHSGFO-QFIPXVFZSA-N 0 1 491.679 3.501 50 0 JHAAMN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCC3CCN(Cc4cccc(F)c4)CC3)ccc2S1 ZINC000015730983 555973570 /nfs/dbraw/zinc/97/35/70/555973570.db2.gz BJYKKJVVVIJERK-INIZCTEOSA-N 0 1 477.627 3.839 50 0 JHAAMN COc1ccccc1N1C(=O)C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022972097 555994103 /nfs/dbraw/zinc/99/41/03/555994103.db2.gz TXAKWOUDNYNAOK-XMMPIXPASA-N 0 1 455.558 3.734 50 0 JHAAMN CCN1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccc(OC)cc3)c2=O)CC1 ZINC000023086490 556007837 /nfs/dbraw/zinc/00/78/37/556007837.db2.gz IFFPHAMDFDSBMJ-AREMUKBSSA-N 0 1 465.569 3.785 50 0 JHAAMN COc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012552256 556035004 /nfs/dbraw/zinc/03/50/04/556035004.db2.gz HNEUEGJEHDFYOU-UHFFFAOYSA-N 0 1 482.558 3.848 50 0 JHAAMN Cc1cccc(CN2CCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)c1 ZINC000023257466 556035872 /nfs/dbraw/zinc/03/58/72/556035872.db2.gz QHIWCRYRNWUWBB-GDLZYMKVSA-N 0 1 468.601 3.760 50 0 JHAAMN C[C@]1(CCc2ccccc2)NC(=O)N(CN2CCN(Cc3cccc4ccccc43)CC2)C1=O 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ZINC000002264977 194158912 /nfs/dbraw/zinc/15/89/12/194158912.db2.gz WXDRUVHRDGLTMZ-UHFFFAOYSA-N 0 1 474.383 3.507 50 0 JHAAMN COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000003323649 194281864 /nfs/dbraw/zinc/28/18/64/194281864.db2.gz ZEEDNKZVMIGFBA-UHFFFAOYSA-N 0 1 465.575 3.767 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)N(C)C)cc1OC ZINC000003444743 194326698 /nfs/dbraw/zinc/32/66/98/194326698.db2.gz WXVZZIZPFQIXOO-QHCPKHFHSA-N 0 1 497.617 3.562 50 0 JHAAMN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000004301572 194387878 /nfs/dbraw/zinc/38/78/78/194387878.db2.gz GQKARFNRWGAMTR-UHFFFAOYSA-N 0 1 470.957 3.767 50 0 JHAAMN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012678349 195083413 /nfs/dbraw/zinc/08/34/13/195083413.db2.gz XMLPESKJIXXFIR-JOCHJYFZSA-N 0 1 493.629 3.833 50 0 JHAAMN CCOC(=O)C1C(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012689857 195087844 /nfs/dbraw/zinc/08/78/44/195087844.db2.gz FRLSPFVXNYUPGC-HXUWFJFHSA-N 0 1 473.913 3.516 50 0 JHAAMN CCOc1cc2c(cc1CNCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)O[C@H](C)C2 ZINC000012690756 195088090 /nfs/dbraw/zinc/08/80/90/195088090.db2.gz KAAXIMSLPKXLMR-MSOLQXFVSA-N 0 1 456.583 3.953 50 0 JHAAMN Cn1cnnc1Sc1ccc(CN2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)o1 ZINC000012745173 195102125 /nfs/dbraw/zinc/10/21/25/195102125.db2.gz KNCZJZYDIZHFPT-MRXNPFEDSA-N 0 1 450.568 3.683 50 0 JHAAMN Cn1cnnc1Sc1ccc(CN2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)o1 ZINC000012745166 195102164 /nfs/dbraw/zinc/10/21/64/195102164.db2.gz KNCZJZYDIZHFPT-INIZCTEOSA-N 0 1 450.568 3.683 50 0 JHAAMN CCN(CC)Cc1nc2sc(C)c(C)c2c(-n2nnc(-c3ccc(OC)c(OC)c3)n2)n1 ZINC000012755128 195108080 /nfs/dbraw/zinc/10/80/80/195108080.db2.gz GMMOJBFWFJCKBB-UHFFFAOYSA-N 0 1 453.572 3.810 50 0 JHAAMN COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)N2CCCC2)c1 ZINC000012788199 195129713 /nfs/dbraw/zinc/12/97/13/195129713.db2.gz KRIZYHWIGBNUAB-SANMLTNESA-N 0 1 499.677 3.666 50 0 JHAAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000020611120 195184871 /nfs/dbraw/zinc/18/48/71/195184871.db2.gz QFXWXDZTHUYYEM-QUIZSENMSA-N 0 1 496.954 3.989 50 0 biogenic JHAAMN Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020995959 195264472 /nfs/dbraw/zinc/26/44/72/195264472.db2.gz OKAUFRGLXLNDCT-UHFFFAOYSA-N 0 1 490.627 3.683 50 0 JHAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCc2cccs2)CC1 ZINC000020997959 195264961 /nfs/dbraw/zinc/26/49/61/195264961.db2.gz XIPTVSBGMUOSLF-UHFFFAOYSA-N 0 1 453.583 3.997 50 0 JHAAMN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000096287317 130030685 /nfs/dbraw/zinc/03/06/85/130030685.db2.gz VHDJCSXHRFTEAG-SANMLTNESA-N 0 1 497.595 3.902 50 0 JHAAMN CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1=O ZINC000012282164 519662400 /nfs/dbraw/zinc/66/24/00/519662400.db2.gz LJLNHSNNUROCQU-QFIPXVFZSA-N 0 1 478.637 3.744 50 0 JHAAMN CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1=O ZINC000012282162 519662687 /nfs/dbraw/zinc/66/26/87/519662687.db2.gz LJLNHSNNUROCQU-JOCHJYFZSA-N 0 1 478.637 3.744 50 0 JHAAMN CC(C)CN(CC(C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033033019 519713330 /nfs/dbraw/zinc/71/33/30/519713330.db2.gz GBEZZRARIBBFKW-UHFFFAOYSA-N 0 1 472.655 3.651 50 0 JHAAMN CC(=O)Nc1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)s1 ZINC000014991152 519715530 /nfs/dbraw/zinc/71/55/30/519715530.db2.gz XALGUILMMFUUAX-HSZRJFAPSA-N 0 1 458.559 3.568 50 0 JHAAMN CCCCN(C)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(CC)c3cccc(C)c3)cc2c1=O ZINC000006181040 520392129 /nfs/dbraw/zinc/39/21/29/520392129.db2.gz OFCQKLYWAUYVDO-UHFFFAOYSA-N 0 1 455.580 3.924 50 0 JHAAMN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@H+](CCc2ccccc2)CC3)cc1 ZINC000020467801 521497048 /nfs/dbraw/zinc/49/70/48/521497048.db2.gz SQHDFBVUWCISQF-UHFFFAOYSA-N 0 1 492.601 3.691 50 0 JHAAMN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@@H+](CCc2ccccc2)CC3)cc1 ZINC000020467801 521497053 /nfs/dbraw/zinc/49/70/53/521497053.db2.gz SQHDFBVUWCISQF-UHFFFAOYSA-N 0 1 492.601 3.691 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036309330 521539401 /nfs/dbraw/zinc/53/94/01/521539401.db2.gz QLUWLHXIEHHEKB-IRLDBZIGSA-N 0 1 490.666 3.759 50 0 JHAAMN COC(=O)c1cc(CNC(=O)Cc2ccccc2F)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000012246635 521848666 /nfs/dbraw/zinc/84/86/66/521848666.db2.gz MAFXIHZOMTVIEB-UHFFFAOYSA-N 0 1 490.940 3.925 50 0 JHAAMN COC(=O)c1cc(CNC(=O)c2cccc(F)c2)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000012246632 521854434 /nfs/dbraw/zinc/85/44/34/521854434.db2.gz HKJGPDIXWZVIHZ-UHFFFAOYSA-N 0 1 476.913 3.997 50 0 JHAAMN CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccccc3C)c1)NC(=O)CCC2=O ZINC000033276732 522706184 /nfs/dbraw/zinc/70/61/84/522706184.db2.gz VYOXJJUHICNGAY-UHFFFAOYSA-N 0 1 468.535 3.603 50 0 JHAAMN CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(F)cc3C)c1)NC(=O)CCC2=O ZINC000033276759 522707563 /nfs/dbraw/zinc/70/75/63/522707563.db2.gz KXUPOEACKFUQJB-UHFFFAOYSA-N 0 1 486.525 3.742 50 0 JHAAMN CC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309130 522991152 /nfs/dbraw/zinc/99/11/52/522991152.db2.gz XFQRBOPEFVRNJL-OFNKIYASSA-N 0 1 460.640 3.671 50 0 JHAAMN COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000033123213 523076744 /nfs/dbraw/zinc/07/67/44/523076744.db2.gz FLAVITIOCWRUGW-UHFFFAOYSA-N 0 1 468.535 3.657 50 0 JHAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCCCN3CCOCC3)c3cccs3)n2)cc1 ZINC000015441373 523179595 /nfs/dbraw/zinc/17/95/95/523179595.db2.gz MEWYRCZWZHWTPZ-HXUWFJFHSA-N 0 1 487.651 3.604 50 0 JHAAMN CN1CCN(CCNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)CC1 ZINC000033035493 523903629 /nfs/dbraw/zinc/90/36/29/523903629.db2.gz BREXYQIKSQXRSR-JOCHJYFZSA-N 0 1 484.044 3.729 50 0 JHAAMN CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4OC)c(=O)c3c2)cc1 ZINC000006181492 523995629 /nfs/dbraw/zinc/99/56/29/523995629.db2.gz AYSLJGYONNYGMH-UHFFFAOYSA-N 0 1 491.569 3.830 50 0 JHAAMN CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000033034031 523998212 /nfs/dbraw/zinc/99/82/12/523998212.db2.gz GYKGGPSKWRAKEV-SFHVURJKSA-N 0 1 472.655 3.723 50 0 JHAAMN COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4cccn4-c4ccc(Cl)cn4)CC3)C2=O)cc1 ZINC000014732495 524019727 /nfs/dbraw/zinc/01/97/27/524019727.db2.gz JUJNRFMBOJBQHQ-UHFFFAOYSA-N 0 1 493.995 3.963 50 0 JHAAMN Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033581 524322702 /nfs/dbraw/zinc/32/27/02/524322702.db2.gz ZPFKNUPBZXIRHG-UHFFFAOYSA-N 0 1 484.666 3.694 50 0 JHAAMN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3nnc(C(C)C)s3)n2)c1 ZINC000008613903 524455626 /nfs/dbraw/zinc/45/56/26/524455626.db2.gz UMBCEWOZRUBUBU-UHFFFAOYSA-N 0 1 451.961 3.640 50 0 JHAAMN C[C@H](CNc1cc(C(=O)N2CCCN(C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 ZINC000014749080 524504922 /nfs/dbraw/zinc/50/49/22/524504922.db2.gz FTYLNCRCWPAIHY-HXUWFJFHSA-N 0 1 486.682 3.757 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC=C2C(=O)NC(=O)c3ccccc32)c1 ZINC000016719143 524646014 /nfs/dbraw/zinc/64/60/14/524646014.db2.gz IJNSPUMHDHDXPF-GHRIWEEISA-N 0 1 483.933 3.872 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc1OC ZINC000033171391 524687575 /nfs/dbraw/zinc/68/75/75/524687575.db2.gz JLJHMKSFXWAJFF-UHFFFAOYSA-N 0 1 468.535 3.840 50 0 JHAAMN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(N4CCCC4)cc3)c(=O)[nH]2)cc1C ZINC000016840118 525082294 /nfs/dbraw/zinc/08/22/94/525082294.db2.gz YFYPYZPXXJDGND-UHFFFAOYSA-N 0 1 498.630 3.963 50 0 JHAAMN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4ccc(Cn5cc(Cl)cn5)cc4)nn3cnc1O2 ZINC000022819631 525473568 /nfs/dbraw/zinc/47/35/68/525473568.db2.gz PUFXQEMBBIMPSB-IBGZPJMESA-N 0 1 498.938 3.740 50 0 JHAAMN O=C(NCC[NH+]1CCCCC1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421100 526305319 /nfs/dbraw/zinc/30/53/19/526305319.db2.gz GKODCPRQGJKHFP-UHFFFAOYSA-N 0 1 483.613 3.609 50 0 JHAAMN Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c1)NC(=O)CCC2=O ZINC000033276564 526310263 /nfs/dbraw/zinc/31/02/63/526310263.db2.gz MERYGOUENUNQHA-UHFFFAOYSA-N 0 1 458.927 3.994 50 0 JHAAMN O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CCN(C/C=C/c4ccco4)CC3)ccc2o1 ZINC000012338066 526600145 /nfs/dbraw/zinc/60/01/45/526600145.db2.gz CBYOUHOZYQFMAU-IAMMWUAXSA-N 0 1 450.535 3.931 50 0 JHAAMN Cc1ncc(CNc2cc(C(=O)Nc3cccc(F)c3)cc(S(=O)(=O)NC(C)(C)C)c2)[nH]1 ZINC000014543064 526895879 /nfs/dbraw/zinc/89/58/79/526895879.db2.gz UDKISJHOMDUHQC-UHFFFAOYSA-N 0 1 459.547 3.798 50 0 JHAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21 ZINC000006247528 526917126 /nfs/dbraw/zinc/91/71/26/526917126.db2.gz RHFXXGOEJVQWNA-QFIPXVFZSA-N 0 1 482.533 3.977 50 0 JHAAMN Cc1nn(-c2ccc(-c3ccc(C)c(C)c3)nn2)c(C)c1S(=O)(=O)NCCN1CCCC[C@@H]1C ZINC000033308203 527519228 /nfs/dbraw/zinc/51/92/28/527519228.db2.gz JZDMURFKUBHGCC-IBGZPJMESA-N 0 1 482.654 3.716 50 0 JHAAMN Cn1nc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)c2c1-c1ccccc1SC2 ZINC000020485175 527544029 /nfs/dbraw/zinc/54/40/29/527544029.db2.gz NAZRHJMQRWQGDV-UHFFFAOYSA-N 0 1 461.635 3.631 50 0 JHAAMN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146987 527657525 /nfs/dbraw/zinc/65/75/25/527657525.db2.gz HSBOTZBDTAASGI-GGAORHGYSA-N 0 1 482.508 3.720 50 0 JHAAMN O[C@@H](COc1ccc(Br)cc1Br)CN1CCN(c2ccccc2)CC1 ZINC000012420365 527660121 /nfs/dbraw/zinc/66/01/21/527660121.db2.gz IIDVNTWRZLFZCB-QGZVFWFLSA-N 0 1 470.205 3.774 50 0 JHAAMN CCOc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCC[C@@H]3C)c(=O)c2c1 ZINC000006181171 554515606 /nfs/dbraw/zinc/51/56/06/554515606.db2.gz UBOIWBCHFIAZPK-KRWDZBQOSA-N 0 1 483.590 3.767 50 0 JHAAMN CCOc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCC[C@H]3C)c(=O)c2c1 ZINC000006181170 554515632 /nfs/dbraw/zinc/51/56/32/554515632.db2.gz UBOIWBCHFIAZPK-QGZVFWFLSA-N 0 1 483.590 3.767 50 0 JHAAMN C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCCc5cnc[nH]5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000008740271 554642426 /nfs/dbraw/zinc/64/24/26/554642426.db2.gz JCZWRYDTPWMMKC-CWKCPSPMSA-N 0 1 454.615 3.765 50 0 biogenic JHAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)Cn2cc3c(n2)CCCCCC3)CC1 ZINC000008933583 554827778 /nfs/dbraw/zinc/82/77/78/554827778.db2.gz GDVGBTNXBDMWFR-UHFFFAOYSA-N 0 1 458.050 3.832 50 0 JHAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1 ZINC000008997698 554859476 /nfs/dbraw/zinc/85/94/76/554859476.db2.gz ZQXAPOMXJCBLMQ-UHFFFAOYSA-N 0 1 468.529 3.643 50 0 JHAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)ccc1O ZINC000009124697 554916092 /nfs/dbraw/zinc/91/60/92/554916092.db2.gz OWJLULOYBRYCHP-QFIPXVFZSA-N 0 1 457.914 3.776 50 0 JHAAMN COc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CCN(C)CC4)cc3)c(C)c2c1 ZINC000009125186 554917352 /nfs/dbraw/zinc/91/73/52/554917352.db2.gz IYUDVJPNPKVAPG-UHFFFAOYSA-N 0 1 471.579 3.717 50 0 JHAAMN O=C(CNCCO)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009130469 554930238 /nfs/dbraw/zinc/93/02/38/554930238.db2.gz ZFHATXWMVPANBJ-QHCPKHFHSA-N 0 1 471.586 3.860 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3sc2=O)cc1 ZINC000009130770 554930893 /nfs/dbraw/zinc/93/08/93/554930893.db2.gz RVQXOMVGIYPJHV-UHFFFAOYSA-N 0 1 469.544 3.511 50 0 JHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N(C)C ZINC000009203195 554973577 /nfs/dbraw/zinc/97/35/77/554973577.db2.gz GQFMMCGZMUABGD-UHFFFAOYSA-N 0 1 456.895 3.718 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000009221066 554990153 /nfs/dbraw/zinc/99/01/53/554990153.db2.gz DXFMIMBWZNOFGX-UHFFFAOYSA-N 0 1 497.665 3.522 50 0 JHAAMN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000009274276 555046576 /nfs/dbraw/zinc/04/65/76/555046576.db2.gz BHWZMYGTEHKAJJ-UHFFFAOYSA-N 0 1 459.886 3.780 50 0 JHAAMN COc1ccc(Cc2n[nH]c(SCC(=O)Nc3ccc(I)cc3)n2)cc1 ZINC000009305395 555078418 /nfs/dbraw/zinc/07/84/18/555078418.db2.gz GYIFTPIHMYGTNU-UHFFFAOYSA-N 0 1 480.331 3.740 50 0 JHAAMN C[NH+](C)Cc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000009319844 555094621 /nfs/dbraw/zinc/09/46/21/555094621.db2.gz VRFLKYLKUKQMET-UHFFFAOYSA-N 0 1 495.601 3.640 50 0 JHAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1OCC ZINC000009409213 555173685 /nfs/dbraw/zinc/17/36/85/555173685.db2.gz QECROABZKZRCLQ-XMMPIXPASA-N 0 1 451.523 3.897 50 0 JHAAMN COCCCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc(OC)cc3)Sc3ccccc3N2)C1=O ZINC000009433989 555204702 /nfs/dbraw/zinc/20/47/02/555204702.db2.gz KIGWSQDXUFNHQJ-HWCXCKHPSA-N 0 1 467.547 3.713 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)n1 ZINC000009463511 555233768 /nfs/dbraw/zinc/23/37/68/555233768.db2.gz DGIUVKSVUBAUMM-UHFFFAOYSA-N 0 1 491.529 3.992 50 0 JHAAMN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Br)cc1Cl ZINC000009478181 555259967 /nfs/dbraw/zinc/25/99/67/555259967.db2.gz YEQDQJROFDRMHP-UHFFFAOYSA-N 0 1 479.805 3.688 50 0 JHAAMN Cc1cc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)ccc1Br ZINC000009488483 555263655 /nfs/dbraw/zinc/26/36/55/555263655.db2.gz SCJHACNBPLIEFQ-UHFFFAOYSA-N 0 1 484.383 3.851 50 0 JHAAMN Nc1nc(SCC(=O)Nc2ccc(F)cc2F)[nH]c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000009518218 555312748 /nfs/dbraw/zinc/31/27/48/555312748.db2.gz MPZHKGJMWOSATI-UHFFFAOYSA-N 0 1 499.421 3.632 50 0 JHAAMN CCOC(=O)C1C(COC(=O)C[C@H](C)c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000009545924 555339483 /nfs/dbraw/zinc/33/94/83/555339483.db2.gz UEAXYUFJYSATRV-QMHKHESXSA-N 0 1 452.507 3.603 50 0 JHAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009546215 555340666 /nfs/dbraw/zinc/34/06/66/555340666.db2.gz VWLCHDZBXWZOHN-UHFFFAOYSA-N 0 1 497.525 3.697 50 0 JHAAMN C[NH+](C)C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccccc1 ZINC000009548890 555345891 /nfs/dbraw/zinc/34/58/91/555345891.db2.gz ACBACRMWLKSQKF-QHCPKHFHSA-N 0 1 495.601 3.681 50 0 JHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000009561193 555358801 /nfs/dbraw/zinc/35/88/01/555358801.db2.gz BSFDJCIOZJQHGA-UHFFFAOYSA-N 0 1 474.392 3.909 50 0 JHAAMN COc1ccc(C[C@@]2(CCc3ccccn3)C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000013153347 555359717 /nfs/dbraw/zinc/35/97/17/555359717.db2.gz BUBWVRCWWRGNQX-MHZLTWQESA-N 0 1 473.529 3.852 50 0 JHAAMN CN(C)CCCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(cccc2Cl)s1 ZINC000009707964 555432153 /nfs/dbraw/zinc/43/21/53/555432153.db2.gz AWDKHMLKBQHIGZ-UHFFFAOYSA-N 0 1 452.001 3.952 50 0 JHAAMN COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)N2CCCC2)cc1 ZINC000009607786 555434271 /nfs/dbraw/zinc/43/42/71/555434271.db2.gz JLXYUAIXPHXIAT-VWLOTQADSA-N 0 1 468.573 3.706 50 0 JHAAMN CCOc1ccc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000009723763 555455662 /nfs/dbraw/zinc/45/56/62/555455662.db2.gz XBBCRBKCZDDFPS-JOCHJYFZSA-N 0 1 471.623 3.818 50 0 JHAAMN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000009632666 555464087 /nfs/dbraw/zinc/46/40/87/555464087.db2.gz FSFGDGWAAWNQJL-UHFFFAOYSA-N 0 1 459.380 3.851 50 0 JHAAMN O=C(c1c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O)N1CCc2ccccc2C1 ZINC000009833871 555536702 /nfs/dbraw/zinc/53/67/02/555536702.db2.gz XKWVLPPQDVTOTK-UHFFFAOYSA-N 0 1 477.517 3.667 50 0 JHAAMN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(OC)c3OC)CC2)CC1 ZINC000013940412 555650957 /nfs/dbraw/zinc/65/09/57/555650957.db2.gz GIGZSVUJXZEIPW-UHFFFAOYSA-N 0 1 467.610 3.663 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N3CCN(Cc4ccccc4)CC3)cc12 ZINC000020153753 555673145 /nfs/dbraw/zinc/67/31/45/555673145.db2.gz PYWWPPWHMXQZSQ-UHFFFAOYSA-N 0 1 474.678 3.810 50 0 JHAAMN O=C(CNCCO)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000010435176 555709918 /nfs/dbraw/zinc/70/99/18/555709918.db2.gz HBAZMWBNMRWJAA-SANMLTNESA-N 0 1 465.557 3.799 50 0 JHAAMN CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 ZINC000014154167 555710893 /nfs/dbraw/zinc/71/08/93/555710893.db2.gz MIEPVHUTTDHANK-UHFFFAOYSA-N 0 1 464.971 3.865 50 0 JHAAMN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1cccc(F)c1 ZINC000014182110 555724095 /nfs/dbraw/zinc/72/40/95/555724095.db2.gz QXAHRGXNTCFRJC-XMMPIXPASA-N 0 1 467.566 3.610 50 0 JHAAMN O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010734606 555736976 /nfs/dbraw/zinc/73/69/76/555736976.db2.gz PJNRAZQMJGLENA-UHFFFAOYSA-N 0 1 475.935 3.567 50 0 JHAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000011025596 555754284 /nfs/dbraw/zinc/75/42/84/555754284.db2.gz XHOVDJJKHWMYMK-UHFFFAOYSA-N 0 1 490.626 3.818 50 0 JHAAMN COc1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c(OC)c1 ZINC000011332289 555773113 /nfs/dbraw/zinc/77/31/13/555773113.db2.gz HHVPBCFOHALZJD-UHFFFAOYSA-N 0 1 498.557 3.917 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557886 555809114 /nfs/dbraw/zinc/80/91/14/555809114.db2.gz QZLMEEWCOUVENT-QHCPKHFHSA-N 0 1 486.975 3.781 50 0 JHAAMN CCCN1C(=O)N(CCC)C(=O)C2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O ZINC000020567213 555821104 /nfs/dbraw/zinc/82/11/04/555821104.db2.gz FDZVNLPKYWINNK-XMMPIXPASA-N 0 1 474.605 3.531 50 0 JHAAMN CC[C@H](NC(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O)c1nc2ccc(C)cc2[nH]1 ZINC000011789542 555824581 /nfs/dbraw/zinc/82/45/81/555824581.db2.gz JJHIFVUJOHJVNI-KMRXNPHXSA-N 0 1 490.604 3.871 50 0 JHAAMN CC(C)Oc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 ZINC000011881498 555849986 /nfs/dbraw/zinc/84/99/86/555849986.db2.gz IMKWFTSICWHIGR-QGZVFWFLSA-N 0 1 469.536 3.893 50 0 JHAAMN COc1cc(C[C@H]2CC(CNCc3cccc(C(F)(F)F)c3)=NO2)c(OC)c2c1OCO2 ZINC000015081364 555872895 /nfs/dbraw/zinc/87/28/95/555872895.db2.gz SCRYRIVBFXEFRW-KRWDZBQOSA-N 0 1 452.429 3.929 50 0 JHAAMN O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012137208 555914422 /nfs/dbraw/zinc/91/44/22/555914422.db2.gz GHVNEUNJLVSCRF-FOCLMDBBSA-N 0 1 469.541 3.813 50 0 JHAAMN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)ccc3OCC)cc21 ZINC000012180621 555935010 /nfs/dbraw/zinc/93/50/10/555935010.db2.gz YGFWZTMUZOISDR-UHFFFAOYSA-N 0 1 452.598 3.687 50 0 JHAAMN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022916709 555970531 /nfs/dbraw/zinc/97/05/31/555970531.db2.gz PMRYANWRESAJAB-VWLOTQADSA-N 0 1 460.574 3.620 50 0 JHAAMN C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000022921813 555975524 /nfs/dbraw/zinc/97/55/24/555975524.db2.gz QKSSEJYBTKMWEZ-AREMUKBSSA-N 0 1 464.516 3.660 50 0 JHAAMN Cc1ccc(OCCOC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000023109550 556010311 /nfs/dbraw/zinc/01/03/11/556010311.db2.gz AMFIOKMNDKQDHQ-QFIPXVFZSA-N 0 1 452.517 3.901 50 0 JHAAMN COc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)n[nH]1 ZINC000015860821 556032644 /nfs/dbraw/zinc/03/26/44/556032644.db2.gz BSURSKLXNRJNFA-UHFFFAOYSA-N 0 1 470.551 3.521 50 0 JHAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)[nH]n2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860819 556032654 /nfs/dbraw/zinc/03/26/54/556032654.db2.gz CYRJYXYPTVTZKR-UHFFFAOYSA-N 0 1 454.552 3.821 50 0 JHAAMN Cc1ccc2nc(CCc3cccc(NC(=O)[C@@H]4CCCN(S(=O)(=O)N5CCCC5)C4)c3)[nH]c2c1 ZINC000015863604 556038273 /nfs/dbraw/zinc/03/82/73/556038273.db2.gz NRMUDLHKZHSPPI-OAQYLSRUSA-N 0 1 495.649 3.648 50 0 JHAAMN Cc1ccccc1-c1ccccc1C(=O)N1CCOc2ccc(CN3CCN(CCO)CC3)cc2C1 ZINC000023362808 556049351 /nfs/dbraw/zinc/04/93/51/556049351.db2.gz UFAQHLHKVXLOIH-UHFFFAOYSA-N 0 1 485.628 3.807 50 0 JHAAMN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000012587881 556084619 /nfs/dbraw/zinc/08/46/19/556084619.db2.gz CRUCMOFVBXQTJB-UPVQGACJSA-N 0 1 469.607 3.689 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000015957499 556089125 /nfs/dbraw/zinc/08/91/25/556089125.db2.gz JYYVTBRVTVMGPU-CHCBTGSZSA-N 0 1 471.601 3.989 50 0 biogenic JHAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000015957497 556089157 /nfs/dbraw/zinc/08/91/57/556089157.db2.gz JYYVTBRVTVMGPU-MVPDCNEZSA-N 0 1 471.601 3.989 50 0 biogenic JHAAMN Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967694 556094204 /nfs/dbraw/zinc/09/42/04/556094204.db2.gz OPXHLGNYZGUKKP-ANARSLNQSA-N 0 1 476.536 3.644 50 0 biogenic JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015971655 556096707 /nfs/dbraw/zinc/09/67/07/556096707.db2.gz KNWXXYNKIWCVMG-ANARSLNQSA-N 0 1 476.536 3.644 50 0 JHAAMN COC(=O)c1sc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)nc1C ZINC000024193056 556126421 /nfs/dbraw/zinc/12/64/21/556126421.db2.gz RVMNGTUGXVSKEA-QGZVFWFLSA-N 0 1 484.555 3.878 50 0 JHAAMN COc1ccc([C@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)N2CCCCC2)cc1 ZINC000012974412 556166088 /nfs/dbraw/zinc/16/60/88/556166088.db2.gz JHURBKLUGOTZCY-ZEQRLZLVSA-N 0 1 499.677 3.899 50 0 JHAAMN 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COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(OC)c1O ZINC000018116705 556289996 /nfs/dbraw/zinc/28/99/96/556289996.db2.gz PEZJQVAGNLQVMR-AKFKNWHVSA-N 0 1 460.486 3.769 50 0 JHAAMN NC(=O)COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000027664563 556303674 /nfs/dbraw/zinc/30/36/74/556303674.db2.gz XJQMAJCOUSYIIF-RUZDIDTESA-N 0 1 472.476 3.531 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)Cc2ccccc2Cl)c1 ZINC000018835262 556324566 /nfs/dbraw/zinc/32/45/66/556324566.db2.gz MGWBDVJDNDBGED-UHFFFAOYSA-N 0 1 493.073 3.694 50 0 JHAAMN Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000019154447 556332030 /nfs/dbraw/zinc/33/20/30/556332030.db2.gz PUDSBEHTWIMNSL-UHFFFAOYSA-N 0 1 455.566 3.977 50 0 JHAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O[C@H](C)C(=O)N1CCC(C)CC1 ZINC000029867967 556359634 /nfs/dbraw/zinc/35/96/34/556359634.db2.gz YSORKKQOGRKPJX-QGZVFWFLSA-N 0 1 462.543 3.739 50 0 JHAAMN COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1ccc(C)c(C)c1)CC2 ZINC000019740372 556364203 /nfs/dbraw/zinc/36/42/03/556364203.db2.gz AAAZJUSBAJVANU-HXUWFJFHSA-N 0 1 463.578 3.958 50 0 JHAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000019817705 556384248 /nfs/dbraw/zinc/38/42/48/556384248.db2.gz QTRYFTRMCOVMCP-SANMLTNESA-N 0 1 453.586 3.764 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2nnc(-c3cccs3)o2)cc1 ZINC000032667933 556467309 /nfs/dbraw/zinc/46/73/09/556467309.db2.gz IHSPSYZSZHIZLH-UHFFFAOYSA-N 0 1 471.516 3.965 50 0 JHAAMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000032931770 556547004 /nfs/dbraw/zinc/54/70/04/556547004.db2.gz QZWXAUCMXYLXFT-UHFFFAOYSA-N 0 1 480.521 3.642 50 0 JHAAMN CCCN(CCC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O ZINC000006181293 562936970 /nfs/dbraw/zinc/93/69/70/562936970.db2.gz DTBLWTSEVKNINE-UHFFFAOYSA-N 0 1 459.543 3.755 50 0 JHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000008686670 562953027 /nfs/dbraw/zinc/95/30/27/562953027.db2.gz LHVXRZLZCGJDFM-UHFFFAOYSA-N 0 1 491.429 3.679 50 0 JHAAMN COC(=O)c1ccc(OC[C@@H](O)CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC000036384574 563128521 /nfs/dbraw/zinc/12/85/21/563128521.db2.gz ABROOOZQBGVEKG-WXVAWEFUSA-N 0 1 477.557 3.878 50 0 JHAAMN CCCN(CCC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccccc3C)cc2c1=O ZINC000006181378 569588582 /nfs/dbraw/zinc/58/85/82/569588582.db2.gz VSWHIQUONIGXTH-UHFFFAOYSA-N 0 1 455.580 3.924 50 0 JHAAMN CCc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCCCC3)c(=O)c2c1 ZINC000006296649 569589047 /nfs/dbraw/zinc/58/90/47/569589047.db2.gz VECPXHAOXJMZSR-UHFFFAOYSA-N 0 1 467.591 3.932 50 0 JHAAMN Cc1c(-c2ccnc(N3CCN(Cc4ccccc4)CC3)n2)cnc2nc(-c3cccs3)nn21 ZINC000054202048 569589510 /nfs/dbraw/zinc/58/95/10/569589510.db2.gz XRTOVNRKMYWSBB-UHFFFAOYSA-N 0 1 468.590 3.940 50 0 JHAAMN COc1ccc(-c2c(C)oc3c(ccc4c3CN(CC(C)(C)N3CCN(C)CC3)CO4)c2=O)cc1 ZINC000057312307 569596283 /nfs/dbraw/zinc/59/62/83/569596283.db2.gz PNSPLLQTXQMBDM-UHFFFAOYSA-N 0 1 477.605 3.955 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)n1 ZINC000008722869 569599142 /nfs/dbraw/zinc/59/91/42/569599142.db2.gz TUCOXUVLCLSJAY-OAHLLOKOSA-N 0 1 460.943 3.954 50 0 JHAAMN COC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415078 569600348 /nfs/dbraw/zinc/60/03/48/569600348.db2.gz XAZFVNRNYGKSKD-HSZRJFAPSA-N 0 1 468.985 3.560 50 0 JHAAMN CCc1ccc([C@H]2NC(=O)NC(CN3CCN(c4ccc(Cl)cc4)CC3)=C2C(=O)OC)cc1 ZINC000057415270 569600662 /nfs/dbraw/zinc/60/06/62/569600662.db2.gz QYVFAPACMWKJTB-HSZRJFAPSA-N 0 1 468.985 3.506 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000032975777 569606359 /nfs/dbraw/zinc/60/63/59/569606359.db2.gz HMJKZZGUZISHIX-QZTJIDSGSA-N 0 1 460.527 3.619 50 0 JHAAMN O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)N1CCN(C2CCCCC2)CC1 ZINC000032987250 569609361 /nfs/dbraw/zinc/60/93/61/569609361.db2.gz RGEXRKYJKXGNLU-UHFFFAOYSA-N 0 1 477.631 3.640 50 0 JHAAMN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000061943430 569609375 /nfs/dbraw/zinc/60/93/75/569609375.db2.gz UJPDBNVSNRGNTJ-PNOLHXSVSA-N 0 1 479.964 3.705 50 0 JHAAMN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(OC)cc1OC ZINC000064580486 569620362 /nfs/dbraw/zinc/62/03/62/569620362.db2.gz SLNQNPCLJXKVDZ-UHFFFAOYSA-N 0 1 469.563 3.696 50 0 JHAAMN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000064844129 569638270 /nfs/dbraw/zinc/63/82/70/569638270.db2.gz OJVFZDVMIUMJEG-FQEVSTJZSA-N 0 1 486.638 3.818 50 0 JHAAMN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000064844161 569638390 /nfs/dbraw/zinc/63/83/90/569638390.db2.gz IHLUQDFYQFDHRG-LJQANCHMSA-N 0 1 472.611 3.510 50 0 JHAAMN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(Cc3cccnc3)CC2)nc1 ZINC000034681712 569643499 /nfs/dbraw/zinc/64/34/99/569643499.db2.gz AFZBSFULPDJZLL-UHFFFAOYSA-N 0 1 451.958 3.860 50 0 JHAAMN COc1cccc(NS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2C)c1 ZINC000065036369 569653380 /nfs/dbraw/zinc/65/33/80/569653380.db2.gz AHWNBDVQZDMRIM-UHFFFAOYSA-N 0 1 474.608 3.811 50 0 JHAAMN CCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)nc1 ZINC000065063451 569656689 /nfs/dbraw/zinc/65/66/89/569656689.db2.gz YQSUNMWMWAMORL-UHFFFAOYSA-N 0 1 471.535 3.832 50 0 JHAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000034798122 569661081 /nfs/dbraw/zinc/66/10/81/569661081.db2.gz AGMKCKYFGNRINN-RXVVDRJESA-N 0 1 480.030 3.677 50 0 JHAAMN CCCCC(=O)N1CCc2n[nH]c(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)c2C1 ZINC000034831820 569664348 /nfs/dbraw/zinc/66/43/48/569664348.db2.gz NONCOUVAPQDDMN-UHFFFAOYSA-N 0 1 464.397 3.754 50 0 JHAAMN CCN1CCN(c2c(CN(CCOC)Cc3ccoc3)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836438 569665547 /nfs/dbraw/zinc/66/55/47/569665547.db2.gz BGIRKVSNNVKQSQ-UHFFFAOYSA-N 0 1 455.578 3.703 50 0 JHAAMN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCC[C@H](C(=O)N4CCOCC4)C3)ccc21 ZINC000034894765 569669472 /nfs/dbraw/zinc/66/94/72/569669472.db2.gz BVIWZKHWNYMUSK-PMACEKPBSA-N 0 1 462.594 3.712 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067205238 569677880 /nfs/dbraw/zinc/67/78/80/569677880.db2.gz UIEDGMXBPIWLKJ-DEOSSOPVSA-N 0 1 483.012 3.896 50 0 JHAAMN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3C)[n-]c(=O)c2C1 ZINC000067291891 569685947 /nfs/dbraw/zinc/68/59/47/569685947.db2.gz SHYKTXWWLGMQPD-UHFFFAOYSA-N 0 1 451.390 3.752 50 0 JHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3C)[n-]c(=O)c2C1 ZINC000067291891 569685948 /nfs/dbraw/zinc/68/59/48/569685948.db2.gz SHYKTXWWLGMQPD-UHFFFAOYSA-N 0 1 451.390 3.752 50 0 JHAAMN COc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000035372722 569683310 /nfs/dbraw/zinc/68/33/10/569683310.db2.gz AGIBWMPHOMHZFB-UHFFFAOYSA-N 0 1 458.534 3.968 50 0 JHAAMN CCOc1cc([C@@H]2NC(=O)N=C(CN3CCC(Cc4ccccc4)CC3)C2C(=O)OC)ccc1O ZINC000067285612 569683318 /nfs/dbraw/zinc/68/33/18/569683318.db2.gz BEPZLAWTOHYWDG-VWLOTQADSA-N 0 1 479.577 3.527 50 0 JHAAMN COc1ccc(OC)c(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)c1 ZINC000035372917 569683389 /nfs/dbraw/zinc/68/33/89/569683389.db2.gz WNKXEHAEXLHVRW-UHFFFAOYSA-N 0 1 470.570 3.838 50 0 JHAAMN CCc1ccc([C@H]2NC(=O)NC(CN3CCN(c4cc(Cl)ccc4C)CC3)=C2C(=O)OC)cc1 ZINC000067689660 569689935 /nfs/dbraw/zinc/68/99/35/569689935.db2.gz YDSDKCUHUJBPBV-XMMPIXPASA-N 0 1 483.012 3.814 50 0 JHAAMN CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CCN(c3cc(Cl)ccc3C)CC2)C1C(=O)OC ZINC000067689720 569690144 /nfs/dbraw/zinc/69/01/44/569690144.db2.gz HXGPJVDZYNQUSS-XMMPIXPASA-N 0 1 499.011 3.650 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067689738 569690279 /nfs/dbraw/zinc/69/02/79/569690279.db2.gz FITCJIJGQQGAHD-XMMPIXPASA-N 0 1 499.011 3.732 50 0 JHAAMN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000069415530 569692929 /nfs/dbraw/zinc/69/29/29/569692929.db2.gz ZUWOGQAZJXZNDU-QHCPKHFHSA-N 0 1 470.013 3.996 50 0 JHAAMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000078720331 569706643 /nfs/dbraw/zinc/70/66/43/569706643.db2.gz HVTSRQACBUMYOB-AOXVDABRSA-N 0 1 499.675 3.803 50 0 JHAAMN O=C(Nc1ccccc1C(=O)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1ccsc1 ZINC000084500254 569709255 /nfs/dbraw/zinc/70/92/55/569709255.db2.gz MBSXKCMNURDEKG-UHFFFAOYSA-N 0 1 461.547 3.961 50 0 JHAAMN CCc1ccccc1NS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC ZINC000085652102 569714039 /nfs/dbraw/zinc/71/40/39/569714039.db2.gz RILHLRHZBBHOMZ-UHFFFAOYSA-N 0 1 480.546 3.876 50 0 JHAAMN CCc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2OC)cc1 ZINC000085652103 569714057 /nfs/dbraw/zinc/71/40/57/569714057.db2.gz HSEWQVGEYZMIBH-UHFFFAOYSA-N 0 1 480.546 3.876 50 0 JHAAMN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000085652100 569714078 /nfs/dbraw/zinc/71/40/78/569714078.db2.gz PKBGOAUIVDLCKK-UHFFFAOYSA-N 0 1 480.546 3.931 50 0 JHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2cccc3c2N(C1=O)C(C)(C)C[C@@H]3C ZINC000095474116 569724083 /nfs/dbraw/zinc/72/40/83/569724083.db2.gz ZODYCVNOWUEIQC-VDBVYFBLSA-N 0 1 468.521 3.757 50 0 JHAAMN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000096115114 569734011 /nfs/dbraw/zinc/73/40/11/569734011.db2.gz UCRQBDNKXIRZBO-QFIPXVFZSA-N 0 1 467.529 3.818 50 0 biogenic JHAAMN COc1ccc(OC)c2[nH]c(C(=O)NC3CCN(Cc4ccc(OC)c(OC)c4)CC3)cc21 ZINC000096117199 569735674 /nfs/dbraw/zinc/73/56/74/569735674.db2.gz RNTSIFAIPAGTSW-UHFFFAOYSA-N 0 1 453.539 3.597 50 0 JHAAMN COc1ccc(N2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000096562025 569741065 /nfs/dbraw/zinc/74/10/65/569741065.db2.gz AHPDPILTIXDCEF-RUZDIDTESA-N 0 1 455.558 3.734 50 0 JHAAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000096596339 569742408 /nfs/dbraw/zinc/74/24/08/569742408.db2.gz IBQPMVUFGKJTFX-AREMUKBSSA-N 0 1 485.632 3.621 50 0 JHAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000100178229 569754819 /nfs/dbraw/zinc/75/48/19/569754819.db2.gz XBNNTUGQOATRFW-IBSUQTTCSA-N 0 1 486.399 3.984 50 0 JHAAMN CCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340061 569763628 /nfs/dbraw/zinc/76/36/28/569763628.db2.gz XTSCXLBFRBKKLF-VWLOTQADSA-N 0 1 490.648 3.709 50 0 JHAAMN COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCC[N@H+]4CCCC[C@H]4C)c3=O)c2c1 ZINC000101497522 569800708 /nfs/dbraw/zinc/80/07/08/569800708.db2.gz KSWPVFMUUOVYTO-MRXNPFEDSA-N 0 1 471.627 3.710 50 0 JHAAMN COc1ccccc1N1CC[NH+](Cc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)[n-]c3n2)CC1 ZINC000101747787 569803589 /nfs/dbraw/zinc/80/35/89/569803589.db2.gz YEWJLKKIDOMUEE-UHFFFAOYSA-N 0 1 472.593 3.713 50 0 JHAAMN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000102290356 569812112 /nfs/dbraw/zinc/81/21/12/569812112.db2.gz FJVAYQHKHLBJFP-ROUUACIJSA-N 0 1 460.527 3.619 50 0 JHAAMN COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C(=O)[C@@H]23)c1 ZINC000102559416 569814223 /nfs/dbraw/zinc/81/42/23/569814223.db2.gz JKERCTWJTQUDMW-DOTOQJQBSA-N 0 1 454.788 3.669 50 0 JHAAMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000040135648 569817427 /nfs/dbraw/zinc/81/74/27/569817427.db2.gz QRDRTQHXHFFKMZ-FQEVSTJZSA-N 0 1 460.578 3.873 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1OC ZINC000040450394 569828335 /nfs/dbraw/zinc/82/83/35/569828335.db2.gz FNWJWBIRGDNYII-UHFFFAOYSA-N 0 1 481.368 3.566 50 0 JHAAMN O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000103029141 569832114 /nfs/dbraw/zinc/83/21/14/569832114.db2.gz HJRPWMQCDYZUOL-RTAAPDIRSA-N 0 1 463.537 3.713 50 0 JHAAMN O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000103029141 569832115 /nfs/dbraw/zinc/83/21/15/569832115.db2.gz HJRPWMQCDYZUOL-RTAAPDIRSA-N 0 1 463.537 3.713 50 0 JHAAMN Cc1cc2nc(COc3ccc(Cl)cc3NS(=O)(=O)c3ccc(C)cc3)cc(=O)n2o1 ZINC000041089514 569837156 /nfs/dbraw/zinc/83/71/56/569837156.db2.gz HBINKBLAVMFOIX-UHFFFAOYSA-N 0 1 459.911 3.938 50 0 JHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000051316496 569850785 /nfs/dbraw/zinc/85/07/85/569850785.db2.gz ZLWOPJRKUSEUEZ-UHFFFAOYSA-N 0 1 457.462 3.517 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cc(F)cc(F)c2)cc1Cl ZINC000051316605 569851053 /nfs/dbraw/zinc/85/10/53/569851053.db2.gz ABTAAWNMRVJFEJ-UHFFFAOYSA-N 0 1 477.880 3.780 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(N(C)C)cc2)cc1Cl ZINC000051316583 569851185 /nfs/dbraw/zinc/85/11/85/569851185.db2.gz PXJPHHOISMDVMW-UHFFFAOYSA-N 0 1 484.969 3.568 50 0 JHAAMN CCC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000245326543 570064998 /nfs/dbraw/zinc/06/49/98/570064998.db2.gz FZCWRTHGQAJSSU-NFBKMPQASA-N 0 1 478.630 3.892 50 0 JHAAMN COc1ccccc1N1C(=O)[C@@H]2[C@H](C)N[C@]3(c4ccccc4N(C/C=C\c4ccccc4)C3=O)[C@H]2C1=O ZINC000247955916 570071501 /nfs/dbraw/zinc/07/15/01/570071501.db2.gz MBDBZKCQRBCWCM-ZUBOHXHXSA-N 0 1 493.563 3.748 50 0 JHAAMN CN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C1=O ZINC000248065160 570073444 /nfs/dbraw/zinc/07/34/44/570073444.db2.gz VZVLDZHHXJSNSA-BBFADADBSA-N 0 1 485.971 3.528 50 0 JHAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4C[C@H](C)C[C@@H](C)[C@@H]43)C2=O)cc1 ZINC000248134830 570075096 /nfs/dbraw/zinc/07/50/96/570075096.db2.gz MHYIXUUGVOGOGQ-MYLOEWHJSA-N 0 1 451.498 3.511 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@H]1CCCN12 ZINC000249680925 570078600 /nfs/dbraw/zinc/07/86/00/570078600.db2.gz AYRAODBRFZDFIE-DELVEFKNSA-N 0 1 451.526 3.685 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252015578 570079755 /nfs/dbraw/zinc/07/97/55/570079755.db2.gz VJYHLEUEKVPNLU-AZXNSQLWSA-N 0 1 470.356 3.987 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000252015578 570079756 /nfs/dbraw/zinc/07/97/56/570079756.db2.gz VJYHLEUEKVPNLU-AZXNSQLWSA-N 0 1 470.356 3.987 50 0 JHAAMN COc1cc2c(cc1OC)CN(C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]31)[C@H](C)C2 ZINC000252694019 570094747 /nfs/dbraw/zinc/09/47/47/570094747.db2.gz HEAXKDZPAXOEMH-PHJLRORCSA-N 0 1 455.595 3.735 50 0 biogenic JHAAMN COc1ccc([C@H](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253471671 570099417 /nfs/dbraw/zinc/09/94/17/570099417.db2.gz WZGKXWLCISWALH-SFHVURJKSA-N 0 1 469.490 3.849 50 0 JHAAMN COC(=O)C[C@H](c1cccc(O)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000263586003 570171470 /nfs/dbraw/zinc/17/14/70/570171470.db2.gz OWMVPTMESZCOFP-DWXRJYCRSA-N 0 1 479.485 3.730 50 0 biogenic JHAAMN COc1ccc(F)c(C[C@]2(CCC(=O)N3CCN([C@@H]4CCc5ccccc5C4)CC3)CCC(=O)N2)c1 ZINC000299763877 570174852 /nfs/dbraw/zinc/17/48/52/570174852.db2.gz GHVGKRFYIFABNA-FUFSCUOVSA-N 0 1 493.623 3.508 50 0 JHAAMN CCN1C(=O)C[C@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2cccc(C(F)(F)F)c2)C1=O ZINC000299766437 570175353 /nfs/dbraw/zinc/17/53/53/570175353.db2.gz OEZIJLKCPPVJGA-XMMPIXPASA-N 0 1 490.526 3.763 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)cc1C ZINC000001145645 194047458 /nfs/dbraw/zinc/04/74/58/194047458.db2.gz BCJBQTSHRGFFBV-UHFFFAOYSA-N 0 1 476.576 3.922 50 0 JHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001146850 194048289 /nfs/dbraw/zinc/04/82/89/194048289.db2.gz GJLYRHUCUQUFEQ-UHFFFAOYSA-N 0 1 450.513 3.744 50 0 JHAAMN CCC(=O)N[C@@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(Cl)(Cl)Cl ZINC000001449314 194123400 /nfs/dbraw/zinc/12/34/00/194123400.db2.gz MMSMPPMQQXJKMM-GFCCVEGCSA-N 0 1 457.792 3.578 50 0 JHAAMN C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009917553 195023072 /nfs/dbraw/zinc/02/30/72/195023072.db2.gz QTIIWHMGZDULTC-UHFFFAOYSA-N 0 1 459.518 3.757 50 0 JHAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009951373 195033797 /nfs/dbraw/zinc/03/37/97/195033797.db2.gz LEYAQSXJGSCQSE-GOSISDBHSA-N 0 1 452.536 3.707 50 0 JHAAMN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N2CCCCC2)cc1 ZINC000009955589 195036280 /nfs/dbraw/zinc/03/62/80/195036280.db2.gz HHGXWYLHPZZPAW-SANMLTNESA-N 0 1 499.677 3.748 50 0 JHAAMN CCOc1ccc(OCCNC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000012757926 195109335 /nfs/dbraw/zinc/10/93/35/195109335.db2.gz NAHZZKBISLVJKQ-UHFFFAOYSA-N 0 1 477.384 3.920 50 0 JHAAMN CC(C)[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CC1 ZINC000012778790 195123001 /nfs/dbraw/zinc/12/30/01/195123001.db2.gz RDEAQBSZFUVUKK-UHFFFAOYSA-N 0 1 480.428 3.853 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)N2CCCCC2)cc1 ZINC000012788200 195129607 /nfs/dbraw/zinc/12/96/07/195129607.db2.gz YMZZIUJESOMCJB-JOCHJYFZSA-N 0 1 480.030 3.556 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478444 195343726 /nfs/dbraw/zinc/34/37/26/195343726.db2.gz PNFGLWRIZMCVHR-VWLOTQADSA-N 0 1 462.594 3.551 50 0 JHAAMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000058157834 195367685 /nfs/dbraw/zinc/36/76/85/195367685.db2.gz RNEYAZKZZXXBLU-AWEZNQCLSA-N 0 1 475.952 3.835 50 0 JHAAMN O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 ZINC000062620831 195427484 /nfs/dbraw/zinc/42/74/84/195427484.db2.gz RGAOZLACMWEBAA-UHFFFAOYSA-N 0 1 493.633 3.642 50 0 JHAAMN CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@]21c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000096299590 130053158 /nfs/dbraw/zinc/05/31/58/130053158.db2.gz VZVLDZHHXJSNSA-DSZDGCDSSA-N 0 1 485.971 3.528 50 0 JHAAMN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccccc4Cl)ccc3n2)CC1 ZINC000033256382 519860319 /nfs/dbraw/zinc/86/03/19/519860319.db2.gz QLUDPJLDVFSHSS-UHFFFAOYSA-N 0 1 488.997 3.919 50 0 JHAAMN CCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033033393 520551936 /nfs/dbraw/zinc/55/19/36/520551936.db2.gz PYMLTGSFXHNZKU-UHFFFAOYSA-N 0 1 458.628 3.502 50 0 JHAAMN CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000012508037 520682281 /nfs/dbraw/zinc/68/22/81/520682281.db2.gz HDAIFVDRTGXBSC-UHFFFAOYSA-N 0 1 494.617 3.811 50 0 JHAAMN CCOc1ccc(-n2c3nc(SCC(=O)NCc4ccco4)[nH]c(=O)c3sc2=S)cc1 ZINC000008602411 520836500 /nfs/dbraw/zinc/83/65/00/520836500.db2.gz NHTKFQSVGUXBFO-UHFFFAOYSA-N 0 1 474.589 3.905 50 0 JHAAMN CCCCc1ncc(CN2CC(=O)N(Cc3ccc(OC)cc3)C[C@H](OCc3ccncc3)C2)[nH]1 ZINC000014748173 521290149 /nfs/dbraw/zinc/29/01/49/521290149.db2.gz HDLKGLJIYQCCNB-RUZDIDTESA-N 0 1 477.609 3.586 50 0 JHAAMN CCOc1ccccc1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 ZINC000014966568 521486112 /nfs/dbraw/zinc/48/61/12/521486112.db2.gz VWOOMKOIUFUFAO-JOCHJYFZSA-N 0 1 495.624 3.992 50 0 JHAAMN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000014749890 521525690 /nfs/dbraw/zinc/52/56/90/521525690.db2.gz NYPJZGZEAGJJFF-UHFFFAOYSA-N 0 1 487.579 3.798 50 0 JHAAMN COCCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697760 522064332 /nfs/dbraw/zinc/06/43/32/522064332.db2.gz KNLKTSVFKDPLNC-SANMLTNESA-N 0 1 465.569 3.868 50 0 JHAAMN COc1cc(OC)c(CN2CCC3(CC[C@@H](CNC(=O)c4cccc(F)c4)O3)CC2)c(OC)c1 ZINC000014883012 522793240 /nfs/dbraw/zinc/79/32/40/522793240.db2.gz OJTMBCSBGVXUJX-FQEVSTJZSA-N 0 1 472.557 3.795 50 0 JHAAMN COCc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)o1 ZINC000014749008 522972333 /nfs/dbraw/zinc/97/23/33/522972333.db2.gz STULOVADBWNRNM-UHFFFAOYSA-N 0 1 488.588 3.863 50 0 JHAAMN CN(Cc1nc(-c2ccccc2)no1)C1CCN(c2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)CC1 ZINC000014969835 523547031 /nfs/dbraw/zinc/54/70/31/523547031.db2.gz XJCRTJDJKLQFAB-NRFANRHFSA-N 0 1 489.620 3.682 50 0 JHAAMN CCn1nc(-c2ccc(OC)c(S(=O)(=O)Nc3ccccc3C)c2)c2c(c1=O)CCCC2 ZINC000046027834 523609792 /nfs/dbraw/zinc/60/97/92/523609792.db2.gz QBPQWUFONSQPDG-UHFFFAOYSA-N 0 1 453.564 3.927 50 0 JHAAMN CCn1nc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2c(c1=O)CCCC2 ZINC000046027762 523609974 /nfs/dbraw/zinc/60/99/74/523609974.db2.gz FCUNXKBBRFAJJQ-UHFFFAOYSA-N 0 1 469.563 3.627 50 0 JHAAMN CCn1nc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c2c(c1=O)CCCC2 ZINC000046027816 523610939 /nfs/dbraw/zinc/61/09/39/523610939.db2.gz ZWJDGZIXNUMKCK-UHFFFAOYSA-N 0 1 457.527 3.758 50 0 JHAAMN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)[C@@H](C)C(C)(C)O ZINC000036310241 523649746 /nfs/dbraw/zinc/64/97/46/523649746.db2.gz NNRJFUMDJMRWMN-SIKLNZKXSA-N 0 1 460.640 3.669 50 0 JHAAMN CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000020507873 523737444 /nfs/dbraw/zinc/73/74/44/523737444.db2.gz NBGXONBKYDIMSE-UIOOFZCWSA-N 0 1 488.657 3.593 50 0 JHAAMN CN(C)CC(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)/C(F)=C/c2ccccc2)CC1 ZINC000012281873 524041651 /nfs/dbraw/zinc/04/16/51/524041651.db2.gz OBTKPFBWWLEMGQ-IURUZKCNSA-N 0 1 451.586 3.867 50 0 JHAAMN C[C@@H]1CCCCN1C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000035514006 524094249 /nfs/dbraw/zinc/09/42/49/524094249.db2.gz OCRWFCPQFOELLF-LJQANCHMSA-N 0 1 499.681 3.604 50 0 JHAAMN Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCCC3)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033636 524322631 /nfs/dbraw/zinc/32/26/31/524322631.db2.gz GGUQQAYTAZTSAJ-UHFFFAOYSA-N 0 1 484.666 3.838 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000008746693 524642907 /nfs/dbraw/zinc/64/29/07/524642907.db2.gz RMNBGYZZKQRLKN-GXDHUFHOSA-N 0 1 494.569 3.939 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)ccc2OC)cc1 ZINC000022739985 524688731 /nfs/dbraw/zinc/68/87/31/524688731.db2.gz UTLYUXYSIAIJEA-UHFFFAOYSA-N 0 1 483.546 3.912 50 0 JHAAMN COc1ccc(OC)c(CNC(=S)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1 ZINC000020153873 524836473 /nfs/dbraw/zinc/83/64/73/524836473.db2.gz SFJQYBQYWDQHTP-UHFFFAOYSA-N 0 1 465.623 3.799 50 0 JHAAMN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)c(=O)n2C ZINC000033274131 524912991 /nfs/dbraw/zinc/91/29/91/524912991.db2.gz XQFDDPYPTYUDHQ-UHFFFAOYSA-N 0 1 485.949 3.792 50 0 JHAAMN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]2)cc1C ZINC000012415041 525083190 /nfs/dbraw/zinc/08/31/90/525083190.db2.gz DUTXMWIDTGVYMD-UHFFFAOYSA-N 0 1 497.520 3.969 50 0 JHAAMN Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)ccc1F ZINC000012520891 525419955 /nfs/dbraw/zinc/41/99/55/525419955.db2.gz WNVKPOUWLLGNSR-HSZRJFAPSA-N 0 1 455.555 3.968 50 0 JHAAMN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000027496805 525582689 /nfs/dbraw/zinc/58/26/89/525582689.db2.gz WOQHDLROTFOYQO-FCHUYYIVSA-N 0 1 461.628 3.624 50 0 JHAAMN O=C(NCCN1CCC(c2ccccc2)CC1)c1cn(C2CC2)cc(C(=O)NC2CCCCC2)c1=O ZINC000012453922 526300943 /nfs/dbraw/zinc/30/09/43/526300943.db2.gz 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O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011916118 527257278 /nfs/dbraw/zinc/25/72/78/527257278.db2.gz LLGSDYNRICTCAC-UHFFFAOYSA-N 0 1 455.883 3.838 50 0 JHAAMN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c(C)c1 ZINC000000683107 553754610 /nfs/dbraw/zinc/75/46/10/553754610.db2.gz NQLJBLDDVJTHDQ-GOSISDBHSA-N 0 1 454.552 3.917 50 0 JHAAMN Nc1ncnc2[nH]c(SCc3nc4ccccc4c(=O)n3-c3ccccc3C(F)(F)F)nc21 ZINC000000822108 553786752 /nfs/dbraw/zinc/78/67/52/553786752.db2.gz JLMWZAVRTKCMKE-UHFFFAOYSA-N 0 1 469.452 3.945 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)ccc(C)c3C)cc2)n1 ZINC000000951231 553881544 /nfs/dbraw/zinc/88/15/44/553881544.db2.gz SHQMVKFAMRSVSM-UHFFFAOYSA-N 0 1 454.552 3.837 50 0 JHAAMN CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1nc2ccc(OCC)cc2s1)C(F)(F)F ZINC000002050065 554010105 /nfs/dbraw/zinc/01/01/05/554010105.db2.gz VXMVGEQMRWCYJP-SFHVURJKSA-N 0 1 457.430 3.952 50 0 JHAAMN CCn1cc(Br)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1 ZINC000002797466 554351279 /nfs/dbraw/zinc/35/12/79/554351279.db2.gz FFGDBCSWEJRKAP-UHFFFAOYSA-N 0 1 479.356 3.727 50 0 JHAAMN CCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000006296712 554528105 /nfs/dbraw/zinc/52/81/05/554528105.db2.gz PFHKIVPZBYWZRP-UHFFFAOYSA-N 0 1 485.606 3.633 50 0 JHAAMN Cn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c1c1ccccc1n(C)c2=O ZINC000006577724 554553399 /nfs/dbraw/zinc/55/33/99/554553399.db2.gz FOQIDWRIGLTMJC-UHFFFAOYSA-N 0 1 492.023 3.626 50 0 aggregator JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000008746688 554649729 /nfs/dbraw/zinc/64/97/29/554649729.db2.gz BTJWGMUDLFROES-UHFFFAOYSA-N 0 1 471.535 3.904 50 0 JHAAMN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]n2)cc1C ZINC000008845280 554742125 /nfs/dbraw/zinc/74/21/25/554742125.db2.gz VQQBGRPDRJLNQL-UHFFFAOYSA-N 0 1 454.552 3.826 50 0 JHAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)[nH]n2)c1 ZINC000008845439 554742642 /nfs/dbraw/zinc/74/26/42/554742642.db2.gz NRTUCVQEUWTUCT-AWEZNQCLSA-N 0 1 466.563 3.802 50 0 JHAAMN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1NC(=O)c1ccco1 ZINC000008861571 554758678 /nfs/dbraw/zinc/75/86/78/554758678.db2.gz FTERRQNAWMEENP-UHFFFAOYSA-N 0 1 477.502 3.683 50 0 JHAAMN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)n1 ZINC000008869041 554762855 /nfs/dbraw/zinc/76/28/55/554762855.db2.gz XWDBLVCGQHCNIZ-RMKNXTFCSA-N 0 1 482.012 3.833 50 0 JHAAMN CCCSc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)s1 ZINC000008917352 554812364 /nfs/dbraw/zinc/81/23/64/554812364.db2.gz RTIUTJWYOOWIKO-UHFFFAOYSA-N 0 1 487.991 3.849 50 0 JHAAMN CC(=O)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000008964742 554838656 /nfs/dbraw/zinc/83/86/56/554838656.db2.gz QDWHQZDTEOUKIR-YIPGRGJBSA-N 0 1 478.504 3.978 50 0 biogenic JHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000008965821 554840965 /nfs/dbraw/zinc/84/09/65/554840965.db2.gz ZKGSPUVKAYSPTK-UHFFFAOYSA-N 0 1 491.057 3.909 50 0 JHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 ZINC000009054337 554873884 /nfs/dbraw/zinc/87/38/84/554873884.db2.gz OCSPYZWHOSYDSF-MRXNPFEDSA-N 0 1 485.635 3.938 50 0 JHAAMN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 ZINC000009109987 554898258 /nfs/dbraw/zinc/89/82/58/554898258.db2.gz BGZOHIAIFIVZCH-KRWDZBQOSA-N 0 1 454.552 3.988 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccccc3F)ccc2Cl)cc1 ZINC000009128373 554925020 /nfs/dbraw/zinc/92/50/20/554925020.db2.gz TZLIVDUMQZIYLI-UHFFFAOYSA-N 0 1 491.928 3.657 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1 ZINC000009141552 554935060 /nfs/dbraw/zinc/93/50/60/554935060.db2.gz CLXOTAHVFMXYCY-UHFFFAOYSA-N 0 1 473.576 3.646 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1N1CCOCC1 ZINC000009157190 554946700 /nfs/dbraw/zinc/94/67/00/554946700.db2.gz VBNTUUISYBGAMR-UHFFFAOYSA-N 0 1 482.562 3.977 50 0 JHAAMN Cc1cc(-c2ccc(NC(=O)CSc3c[nH]nn3)c(C)c2)ccc1NC(=O)CSc1cn[nH]n1 ZINC000009191557 554963940 /nfs/dbraw/zinc/96/39/40/554963940.db2.gz QVNMDJSFCAPKCA-UHFFFAOYSA-N 0 1 494.606 3.668 50 0 JHAAMN Cc1cc(-c2ccc(NC(=O)CSc3c[nH]nn3)c(C)c2)ccc1NC(=O)CSc1c[nH]nn1 ZINC000009191557 554963942 /nfs/dbraw/zinc/96/39/42/554963942.db2.gz QVNMDJSFCAPKCA-UHFFFAOYSA-N 0 1 494.606 3.668 50 0 JHAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1OC ZINC000009409200 555173594 /nfs/dbraw/zinc/17/35/94/555173594.db2.gz XLTPHOIOHRWQAC-DEOSSOPVSA-N 0 1 451.523 3.897 50 0 JHAAMN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nc2ccc(OC)cc2[nH]1 ZINC000009468329 555247966 /nfs/dbraw/zinc/24/79/66/555247966.db2.gz LJOSPZFETHKPHM-UHFFFAOYSA-N 0 1 476.580 3.551 50 0 JHAAMN CN(CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009469748 555252580 /nfs/dbraw/zinc/25/25/80/555252580.db2.gz ZJAAKDCPAJSKCY-UHFFFAOYSA-N 0 1 487.025 3.504 50 0 JHAAMN COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 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AXENPNAYRJXCHW-UHFFFAOYSA-N 0 1 473.595 3.851 50 0 JHAAMN C[NH+](C)C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccccc1 ZINC000009689816 555416680 /nfs/dbraw/zinc/41/66/80/555416680.db2.gz ACBACRMWLKSQKF-HSZRJFAPSA-N 0 1 495.601 3.681 50 0 JHAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2cc1C ZINC000009708055 555432828 /nfs/dbraw/zinc/43/28/28/555432828.db2.gz PNCZYUJQLHIBKD-UHFFFAOYSA-N 0 1 486.663 3.906 50 0 JHAAMN COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000009737891 555469709 /nfs/dbraw/zinc/46/97/09/555469709.db2.gz LHCUDLRGVKEBRG-UHFFFAOYSA-N 0 1 454.504 3.910 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)N2CCCC2)cc1 ZINC000009739786 555471377 /nfs/dbraw/zinc/47/13/77/555471377.db2.gz FRKDJSJCFKLVHB-RUZDIDTESA-N 0 1 468.557 3.961 50 0 JHAAMN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)CC1 ZINC000009849554 555551479 /nfs/dbraw/zinc/55/14/79/555551479.db2.gz QKSJXWRXIPOHCY-UHFFFAOYSA-N 0 1 497.636 3.672 50 0 JHAAMN CCc1ccc(OCCOC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000019938644 555556906 /nfs/dbraw/zinc/55/69/06/555556906.db2.gz KKKQZAIYKRXHMH-JOCHJYFZSA-N 0 1 452.517 3.846 50 0 JHAAMN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000020069373 555626246 /nfs/dbraw/zinc/62/62/46/555626246.db2.gz URPWXFDJSAFAIT-BGYRXZFFSA-N 0 1 483.682 3.812 50 0 JHAAMN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]2)c(C)c1 ZINC000010272753 555667110 /nfs/dbraw/zinc/66/71/10/555667110.db2.gz BJPGIIHFUHFYGW-UHFFFAOYSA-N 0 1 463.968 3.604 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N3CCN(c4ccccc4)CC3)cc12 ZINC000020153706 555672994 /nfs/dbraw/zinc/67/29/94/555672994.db2.gz FTVGDPUVNZTDFY-UHFFFAOYSA-N 0 1 460.651 3.814 50 0 JHAAMN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2=O)c1 ZINC000014136615 555704107 /nfs/dbraw/zinc/70/41/07/555704107.db2.gz PBFSVCABHPCVAO-XMMPIXPASA-N 0 1 493.520 3.655 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214189 555709060 /nfs/dbraw/zinc/70/90/60/555709060.db2.gz CRLGULOJUYHMBF-DEOSSOPVSA-N 0 1 483.012 3.950 50 0 JHAAMN COc1cccc(C2=NN(C(=O)CNCCO)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000010435198 555709953 /nfs/dbraw/zinc/70/99/53/555709953.db2.gz WSYSORJHOQTQPQ-MHZLTWQESA-N 0 1 495.583 3.808 50 0 JHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)N4CCN(c5cc(C)ccc5C)CC4)c3=O)c2c1 ZINC000020330405 555775528 /nfs/dbraw/zinc/77/55/28/555775528.db2.gz XDXLMDNXQPFHIW-UHFFFAOYSA-N 0 1 491.617 3.905 50 0 JHAAMN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1nc(C2CC2)n[nH]1 ZINC000011474221 555782971 /nfs/dbraw/zinc/78/29/71/555782971.db2.gz QLDUBMAWDAOWFE-UHFFFAOYSA-N 0 1 453.524 3.682 50 0 JHAAMN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1n[nH]c(C2CC2)n1 ZINC000011474221 555782972 /nfs/dbraw/zinc/78/29/72/555782972.db2.gz QLDUBMAWDAOWFE-UHFFFAOYSA-N 0 1 453.524 3.682 50 0 JHAAMN Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]2)c1 ZINC000020355900 555784790 /nfs/dbraw/zinc/78/47/90/555784790.db2.gz WLXJVVFPGXZPEN-UHFFFAOYSA-N 0 1 471.604 3.939 50 0 JHAAMN COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)CSc2nc4ccc(C)cc4[nH]2)C3)nn1 ZINC000011784481 555815814 /nfs/dbraw/zinc/81/58/14/555815814.db2.gz UZAAWNMIPFPTNP-MRXNPFEDSA-N 0 1 461.547 3.549 50 0 JHAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000014513860 555816300 /nfs/dbraw/zinc/81/63/00/555816300.db2.gz NRFVDRHDEZEQKD-UHFFFAOYSA-N 0 1 471.501 3.552 50 0 JHAAMN CN1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccc(F)cc2F)CC1 ZINC000011784920 555817026 /nfs/dbraw/zinc/81/70/26/555817026.db2.gz YERXNTQZGLNLBK-XXBNENTESA-N 0 1 485.604 3.740 50 0 JHAAMN COc1cccc(OC)c1CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C ZINC000014531242 555818331 /nfs/dbraw/zinc/81/83/31/555818331.db2.gz QVICFTKCDGTRTP-UHFFFAOYSA-N 0 1 466.582 3.554 50 0 JHAAMN COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(Cc4ccc(CO)o4)CC3)C2=O)c1 ZINC000014533308 555821741 /nfs/dbraw/zinc/82/17/41/555821741.db2.gz SZTZHFHDHLWKHL-UHFFFAOYSA-N 0 1 469.582 3.626 50 0 JHAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000020572238 555823646 /nfs/dbraw/zinc/82/36/46/555823646.db2.gz XHRDLHFNGOLTQE-NLJXWPIHSA-N 0 1 496.954 3.989 50 0 JHAAMN CC[C@@H](NC(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O)c1nc2ccc(C)cc2[nH]1 ZINC000011789541 555824568 /nfs/dbraw/zinc/82/45/68/555824568.db2.gz JJHIFVUJOHJVNI-PIKZIKFNSA-N 0 1 490.604 3.871 50 0 JHAAMN COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cc(CC(C)C)n[nH]3)CC2)[C@H]1O ZINC000011789558 555824591 /nfs/dbraw/zinc/82/45/91/555824591.db2.gz BAEIGLFVSQOMDG-SXOMAYOGSA-N 0 1 488.632 3.996 50 0 JHAAMN COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cc(CC(C)C)[nH]n3)CC2)[C@H]1O ZINC000011789558 555824596 /nfs/dbraw/zinc/82/45/96/555824596.db2.gz BAEIGLFVSQOMDG-SXOMAYOGSA-N 0 1 488.632 3.996 50 0 JHAAMN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCN(c3cc(Cl)ccc3C)CC1)C2 ZINC000014535656 555824683 /nfs/dbraw/zinc/82/46/83/555824683.db2.gz HINWLTVRROQMES-HXUWFJFHSA-N 0 1 456.034 3.780 50 0 JHAAMN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000014539920 555830008 /nfs/dbraw/zinc/83/00/08/555830008.db2.gz UIAOJOHTCJRHFE-UHFFFAOYSA-N 0 1 489.975 3.933 50 0 JHAAMN O=C1N(CCCc2cccnc2)C(=O)C2(CCN(Cc3ccc(CO)o3)CC2)N1Cc1ccccc1 ZINC000014542471 555833375 /nfs/dbraw/zinc/83/33/75/555833375.db2.gz FBFWGISEOKXEGT-UHFFFAOYSA-N 0 1 488.588 3.599 50 0 JHAAMN Cc1nonc1CN[C@@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000020601228 555842118 /nfs/dbraw/zinc/84/21/18/555842118.db2.gz ZDNKYUIFBASYCJ-OAHLLOKOSA-N 0 1 455.971 3.693 50 0 JHAAMN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000015072030 555871093 /nfs/dbraw/zinc/87/10/93/555871093.db2.gz MMSUMSCUBBQMMB-QFIPXVFZSA-N 0 1 454.615 3.627 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000022196725 555884286 /nfs/dbraw/zinc/88/42/86/555884286.db2.gz SHJDRLPIXGKIFH-UHFFFAOYSA-N 0 1 481.530 3.802 50 0 JHAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000015306501 555895366 /nfs/dbraw/zinc/89/53/66/555895366.db2.gz ASANFQYZKSHHKR-AIKBEYBBSA-N 0 1 497.620 3.959 50 0 JHAAMN Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cc5c(cc4Cl)OCO5)CC3)O2)cs1 ZINC000012099562 555907033 /nfs/dbraw/zinc/90/70/33/555907033.db2.gz CFVVEXHXVAEIHI-INIZCTEOSA-N 0 1 463.987 3.777 50 0 JHAAMN CCCn1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c2ccccc2c1=O ZINC000015432853 555908502 /nfs/dbraw/zinc/90/85/02/555908502.db2.gz PZXKBYAJZOCBRH-UHFFFAOYSA-N 0 1 492.557 3.868 50 0 JHAAMN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(Oc4ccccc4)c2)CC3)o1 ZINC000012150197 555922242 /nfs/dbraw/zinc/92/22/42/555922242.db2.gz RDFHGSVJNSGACF-UHFFFAOYSA-N 0 1 487.560 3.798 50 0 JHAAMN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000012150922 555923452 /nfs/dbraw/zinc/92/34/52/555923452.db2.gz CHZGWHIYPIDZHT-FQRUVTKNSA-N 0 1 478.524 3.766 50 0 JHAAMN COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(OC(C)C)cc2)CC3)c1 ZINC000012190320 555937453 /nfs/dbraw/zinc/93/74/53/555937453.db2.gz WTXYOCIVTKWOJF-LJQANCHMSA-N 0 1 463.582 3.623 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3=C(c4ccccc4)SCCO3)cc2)n1 ZINC000012321151 555951489 /nfs/dbraw/zinc/95/14/89/555951489.db2.gz SAQMIWHAUNYKSN-UHFFFAOYSA-N 0 1 482.587 3.965 50 0 JHAAMN Cc1oc2nc(C)nc(N3CCOCC3)c2c1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000015727886 555967083 /nfs/dbraw/zinc/96/70/83/555967083.db2.gz SUDOANUOMPHHQO-UHFFFAOYSA-N 0 1 498.027 3.972 50 0 JHAAMN Cc1ccccc1CN1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022919038 555972850 /nfs/dbraw/zinc/97/28/50/555972850.db2.gz DOCHMKWJPIMDLO-LJQANCHMSA-N 0 1 476.543 3.617 50 0 JHAAMN C[C@H]1CSc2ccc(S(=O)(=O)NCC3CCN(Cc4ccccc4F)CC3)cc2NC1=O ZINC000015731195 555973979 /nfs/dbraw/zinc/97/39/79/555973979.db2.gz NTPWHBQPOAYFGA-INIZCTEOSA-N 0 1 477.627 3.697 50 0 JHAAMN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000022921808 555975478 /nfs/dbraw/zinc/97/54/78/555975478.db2.gz QKSSEJYBTKMWEZ-SANMLTNESA-N 0 1 464.516 3.660 50 0 JHAAMN Cc1oc2cc(OCCN3CCN(CCO)CC3)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000022933426 555985934 /nfs/dbraw/zinc/98/59/34/555985934.db2.gz RLUIWLBYSBINOC-UHFFFAOYSA-N 0 1 487.394 3.520 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3C)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000022946862 555993442 /nfs/dbraw/zinc/99/34/42/555993442.db2.gz AOCILIPWMLJKRK-SANMLTNESA-N 0 1 476.621 3.716 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3cccs3)N(C)C)c2)cc1 ZINC000012526313 555994732 /nfs/dbraw/zinc/99/47/32/555994732.db2.gz VIGBMHHZXKLXBQ-HXUWFJFHSA-N 0 1 459.593 3.590 50 0 JHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(C)c2)CC1 ZINC000012527698 555996303 /nfs/dbraw/zinc/99/63/03/555996303.db2.gz PZYPSMXTTSIHSR-UHFFFAOYSA-N 0 1 470.639 3.564 50 0 JHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000012527697 555996380 /nfs/dbraw/zinc/99/63/80/555996380.db2.gz FABZWTXVYMQDRK-UHFFFAOYSA-N 0 1 491.057 3.909 50 0 JHAAMN COc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)n[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860836 556032973 /nfs/dbraw/zinc/03/29/73/556032973.db2.gz CMODBXGCHCPIIH-UHFFFAOYSA-N 0 1 460.600 3.665 50 0 JHAAMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012557131 556044560 /nfs/dbraw/zinc/04/45/60/556044560.db2.gz FAQZFLNLCOMHCJ-JOCHJYFZSA-N 0 1 453.539 3.631 50 0 JHAAMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012557131 556044564 /nfs/dbraw/zinc/04/45/64/556044564.db2.gz FAQZFLNLCOMHCJ-JOCHJYFZSA-N 0 1 453.539 3.631 50 0 JHAAMN CCN1CCN([C@@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000023478439 556074594 /nfs/dbraw/zinc/07/45/94/556074594.db2.gz QVXJWDUUXFMLNY-DEOSSOPVSA-N 0 1 452.986 3.686 50 0 JHAAMN COc1ccc(CC[C@]2(C)NC(=O)N(CN3CCN(Cc4cccc5ccccc54)CC3)C2=O)cc1 ZINC000023475373 556074690 /nfs/dbraw/zinc/07/46/90/556074690.db2.gz WIPSSVOBQMFIGI-LJAQVGFWSA-N 0 1 486.616 3.867 50 0 JHAAMN CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)cc1 ZINC000015940995 556076028 /nfs/dbraw/zinc/07/60/28/556076028.db2.gz MKMWZABSVQKJDI-DEOSSOPVSA-N 0 1 467.591 3.919 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000015957570 556089149 /nfs/dbraw/zinc/08/91/49/556089149.db2.gz ZZJFQBONDSFONH-IDCDSMMUSA-N 0 1 471.601 3.935 50 0 biogenic JHAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959929 556092476 /nfs/dbraw/zinc/09/24/76/556092476.db2.gz WUDQOZHPNAPWJM-HNFJUSDZSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015969172 556095044 /nfs/dbraw/zinc/09/50/44/556095044.db2.gz WJHHXTHCLJXEMZ-WYNJNVBPSA-N 0 1 496.954 3.989 50 0 biogenic JHAAMN Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001926 556107171 /nfs/dbraw/zinc/10/71/71/556107171.db2.gz UWFRZUWQZYUDEX-DDOIHHOZSA-N 0 1 456.329 3.733 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010143 556109432 /nfs/dbraw/zinc/10/94/32/556109432.db2.gz KMKMTPGZUQSQTL-WYNJNVBPSA-N 0 1 451.526 3.833 50 0 JHAAMN COC(=O)c1sc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(C(=O)OC)c1C ZINC000012785119 556112325 /nfs/dbraw/zinc/11/23/25/556112325.db2.gz SLQFGLFCLQJZOB-UHFFFAOYSA-N 0 1 482.761 3.846 50 0 JHAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000016020420 556113095 /nfs/dbraw/zinc/11/30/95/556113095.db2.gz IJUXZXBGFVOQSS-YDLHNXBPSA-N 0 1 476.042 3.845 50 0 JHAAMN COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000012858092 556118658 /nfs/dbraw/zinc/11/86/58/556118658.db2.gz JFRLLLPJLSNFEU-IBGZPJMESA-N 0 1 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/nfs/dbraw/zinc/86/78/84/555867884.db2.gz RHSVKNHUFDJSLU-VWNXMTODSA-N 0 1 475.605 3.873 50 0 JHAAMN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000015072027 555871078 /nfs/dbraw/zinc/87/10/78/555871078.db2.gz MMSUMSCUBBQMMB-JOCHJYFZSA-N 0 1 454.615 3.627 50 0 JHAAMN Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2n[nH]c3c2CCCC3)CC(=O)N(Cc2ccccc2)C1=O ZINC000012055360 555898227 /nfs/dbraw/zinc/89/82/27/555898227.db2.gz VIJQBRKUEAETPC-GDLZYMKVSA-N 0 1 484.600 3.843 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCOc2ccccc2OC)c1 ZINC000015432800 555908498 /nfs/dbraw/zinc/90/84/98/555908498.db2.gz HIFMYUADDMZCDA-UHFFFAOYSA-N 0 1 456.520 3.912 50 0 JHAAMN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550975 555915151 /nfs/dbraw/zinc/91/51/51/555915151.db2.gz TXMHJLKOGISFRX-BALBBAFXSA-N 0 1 452.599 3.520 50 0 JHAAMN CCOc1cccc2sc(N(CCCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)nc21 ZINC000012140986 555920496 /nfs/dbraw/zinc/92/04/96/555920496.db2.gz 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CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2sccc2C)CC1 ZINC000023136898 556020716 /nfs/dbraw/zinc/02/07/16/556020716.db2.gz FDYYVUSRUPOBML-UHFFFAOYSA-N 0 1 476.668 3.625 50 0 JHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2N2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000012558197 556047104 /nfs/dbraw/zinc/04/71/04/556047104.db2.gz FDAKZYQYGZRCKC-AREMUKBSSA-N 0 1 492.620 3.989 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000015957568 556089054 /nfs/dbraw/zinc/08/90/54/556089054.db2.gz ZZJFQBONDSFONH-HNFJUSDZSA-N 0 1 471.601 3.935 50 0 biogenic JHAAMN CCOC(=O)C1C(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000023819845 556090070 /nfs/dbraw/zinc/09/00/70/556090070.db2.gz QEGUTEUPDZWELZ-VLIAUNLRSA-N 0 1 458.898 3.522 50 0 JHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015969177 556094865 /nfs/dbraw/zinc/09/48/65/556094865.db2.gz WJHHXTHCLJXEMZ-DHMIZTNRSA-N 0 1 496.954 3.989 50 0 biogenic JHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969086 556094895 /nfs/dbraw/zinc/09/48/95/556094895.db2.gz GQWZWBHCJPUACB-IDCDSMMUSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015987953 556101582 /nfs/dbraw/zinc/10/15/82/556101582.db2.gz AKJVVCBTTDLKDO-UHFFFAOYSA-N 0 1 455.986 3.625 50 0 JHAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015998936 556103966 /nfs/dbraw/zinc/10/39/66/556103966.db2.gz CTJUCMWBVGATGH-GDNALLQQSA-N 0 1 479.964 3.503 50 0 JHAAMN CSCC[C@H]1N[C@@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000016020426 556113333 /nfs/dbraw/zinc/11/33/33/556113333.db2.gz IJUXZXBGFVOQSS-FLFXDLLNSA-N 0 1 476.042 3.845 50 0 JHAAMN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4F)ccc32)cc1 ZINC000016954499 556185725 /nfs/dbraw/zinc/18/57/25/556185725.db2.gz QVSRBXFCYSCUCF-UHFFFAOYSA-N 0 1 476.551 3.777 50 0 JHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(F)c3)[nH]c2=O)c(C)c1 ZINC000017026016 556205405 /nfs/dbraw/zinc/20/54/05/556205405.db2.gz KFBNTNJCONHQOL-UHFFFAOYSA-N 0 1 461.540 3.810 50 0 JHAAMN CC(C)N1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2-c2nc3ccccc3s2)C1 ZINC000017113388 556218324 /nfs/dbraw/zinc/21/83/24/556218324.db2.gz JMAZAEUEYPYMHR-UHFFFAOYSA-N 0 1 468.604 3.879 50 0 JHAAMN COc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000018053513 556280828 /nfs/dbraw/zinc/28/08/28/556280828.db2.gz CCASGPFFYFYQGO-QFIPXVFZSA-N 0 1 476.924 3.812 50 0 JHAAMN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018066023 556282288 /nfs/dbraw/zinc/28/22/88/556282288.db2.gz TVMHIMKEVYLVGY-ZRBLBEILSA-N 0 1 458.470 3.533 50 0 JHAAMN COC(=O)c1ccc(OC[C@H](O)CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000013108949 556307161 /nfs/dbraw/zinc/30/71/61/556307161.db2.gz ABROOOZQBGVEKG-AMGIVPHBSA-N 0 1 477.557 3.878 50 0 JHAAMN COc1ccc(-n2ccc(=O)c(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)n2)cc1 ZINC000028292769 556329256 /nfs/dbraw/zinc/32/92/56/556329256.db2.gz HWSXJOVKOFYLMD-FQEVSTJZSA-N 0 1 452.580 3.650 50 0 JHAAMN COc1cc(=O)n2c(c1C(=O)NCc1nccs1)CCN(Cc1ccccc1-c1ccco1)CC2 ZINC000019335464 556342817 /nfs/dbraw/zinc/34/28/17/556342817.db2.gz MGVJTRYNHOVTRE-UHFFFAOYSA-N 0 1 490.585 3.562 50 0 JHAAMN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000030580992 556367450 /nfs/dbraw/zinc/36/74/50/556367450.db2.gz DIWWHVPEFMTIJS-UHFFFAOYSA-N 0 1 487.603 3.685 50 0 JHAAMN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)cc1OCC(C)C ZINC000031809213 556405940 /nfs/dbraw/zinc/40/59/40/556405940.db2.gz GHRYVXSTBMEGFL-HXUWFJFHSA-N 0 1 479.566 3.665 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000032719526 556474241 /nfs/dbraw/zinc/47/42/41/556474241.db2.gz NVHJXNYHAFYAEA-UHFFFAOYSA-N 0 1 455.609 3.698 50 0 JHAAMN COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000032728091 556476768 /nfs/dbraw/zinc/47/67/68/556476768.db2.gz RKCZFFFSJTVFHE-QHCPKHFHSA-N 0 1 499.608 3.688 50 0 JHAAMN COc1cccc(-n2c3nc(SCC(=O)NCCc4ccccc4)[nH]c(=O)c3sc2=S)c1 ZINC000032948270 556563279 /nfs/dbraw/zinc/56/32/79/556563279.db2.gz GJQZYUMTCCMRLY-UHFFFAOYSA-N 0 1 484.628 3.964 50 0 JHAAMN COc1cc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC ZINC000008683101 562951677 /nfs/dbraw/zinc/95/16/77/562951677.db2.gz VDDBKNSLUFDTGU-GOTSBHOMSA-N 0 1 472.497 3.774 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(C)s3)ccc2Cl)cc1 ZINC000008686681 562952976 /nfs/dbraw/zinc/95/29/76/562952976.db2.gz OMVNSALOVMFKHZ-UHFFFAOYSA-N 0 1 493.994 3.888 50 0 aggregator JHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000008705850 562954772 /nfs/dbraw/zinc/95/47/72/562954772.db2.gz BTCPOXPPOKXNLC-NRFANRHFSA-N 0 1 457.527 3.786 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[NH+](C)C)cc1 ZINC000036384576 563128526 /nfs/dbraw/zinc/12/85/26/563128526.db2.gz QWRPMAPVJVSTLD-HSZRJFAPSA-N 0 1 471.554 3.668 50 0 JHAAMN CN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O ZINC000006181376 569588606 /nfs/dbraw/zinc/58/86/06/569588606.db2.gz YFQJQWHMOOCQOE-UHFFFAOYSA-N 0 1 479.533 3.765 50 0 JHAAMN CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCCCC4)c(=O)c3c2)cc1 ZINC000006296671 569589061 /nfs/dbraw/zinc/58/90/61/569589061.db2.gz DBOSMAQRFOQYBO-UHFFFAOYSA-N 0 1 483.590 3.768 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cc2cn3ccsc3n2)ccc1C ZINC000008706635 569594511 /nfs/dbraw/zinc/59/45/11/569594511.db2.gz XWTVLSUNPQZFNB-UHFFFAOYSA-N 0 1 456.549 3.695 50 0 JHAAMN Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccs2)cc1 ZINC000062269839 569610445 /nfs/dbraw/zinc/61/04/45/569610445.db2.gz UHHMMTIJDGHBLL-NTKDMRAZSA-N 0 1 499.658 3.784 50 0 JHAAMN Cc1nc2ccccc2n(CCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1=O ZINC000033005285 569614434 /nfs/dbraw/zinc/61/44/34/569614434.db2.gz SSYQQOJAHMJYSJ-UHFFFAOYSA-N 0 1 452.986 3.777 50 0 JHAAMN Cc1cc2nc(C)c(=O)n(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c2cc1C ZINC000033005665 569614466 /nfs/dbraw/zinc/61/44/66/569614466.db2.gz LNGHLYVTJUHQRM-UHFFFAOYSA-N 0 1 496.055 3.694 50 0 JHAAMN Cc1cc2nc3sc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)cc(=O)n3c2cc1C ZINC000033009109 569615987 /nfs/dbraw/zinc/61/59/87/569615987.db2.gz TUOPDZIEIVHRHG-UHFFFAOYSA-N 0 1 493.608 3.607 50 0 JHAAMN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cc(OC)ccc1OC ZINC000064580471 569620459 /nfs/dbraw/zinc/62/04/59/569620459.db2.gz XMABOHZYSTWRJJ-UHFFFAOYSA-N 0 1 469.563 3.696 50 0 JHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862197 569639594 /nfs/dbraw/zinc/63/95/94/569639594.db2.gz APGVGMLRQTUUOL-UHFFFAOYSA-N 0 1 459.568 3.909 50 0 JHAAMN CCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025203 569650280 /nfs/dbraw/zinc/65/02/80/569650280.db2.gz FQJCPGPBSPGAAJ-UHFFFAOYSA-N 0 1 499.681 3.870 50 0 JHAAMN CCCc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N(CCC)CCC)c2)cc1 ZINC000065025302 569650776 /nfs/dbraw/zinc/65/07/76/569650776.db2.gz CGENWCBRRCVDIM-UHFFFAOYSA-N 0 1 487.670 3.507 50 0 JHAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)NC1CCCCC1 ZINC000034834825 569664777 /nfs/dbraw/zinc/66/47/77/569664777.db2.gz UPNFSSPAILIWRE-UHFFFAOYSA-N 0 1 482.673 3.813 50 0 JHAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccccc2)cc1OC ZINC000035372900 569683323 /nfs/dbraw/zinc/68/33/23/569683323.db2.gz GJBXWTHCAPIBCN-UHFFFAOYSA-N 0 1 452.580 3.699 50 0 JHAAMN COC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067689651 569689951 /nfs/dbraw/zinc/68/99/51/569689951.db2.gz IOOWBMCOQIXLSM-NRFANRHFSA-N 0 1 475.376 3.597 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067689740 569690241 /nfs/dbraw/zinc/69/02/41/569690241.db2.gz PQFZNAICFVPKBV-XMMPIXPASA-N 0 1 499.011 3.732 50 0 JHAAMN O=C(CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1)N1CCNCC1 ZINC000035422082 569692554 /nfs/dbraw/zinc/69/25/54/569692554.db2.gz ZPCCJDPMSMHBSR-UHFFFAOYSA-N 0 1 453.892 3.823 50 0 JHAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 ZINC000069564399 569693288 /nfs/dbraw/zinc/69/32/88/569693288.db2.gz ANYZWQFIDUYJFI-UHFFFAOYSA-N 0 1 489.597 3.865 50 0 JHAAMN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC000084429372 569709149 /nfs/dbraw/zinc/70/91/49/569709149.db2.gz LNBFQDLTYSZHQC-UHFFFAOYSA-N 0 1 473.938 3.987 50 0 JHAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)c1 ZINC000085652027 569713676 /nfs/dbraw/zinc/71/36/76/569713676.db2.gz NUXYXNZDYUBYLB-UHFFFAOYSA-N 0 1 496.545 3.631 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C ZINC000085652075 569713912 /nfs/dbraw/zinc/71/39/12/569713912.db2.gz HXLCMZADDBBYRB-UHFFFAOYSA-N 0 1 466.519 3.622 50 0 JHAAMN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000085652093 569714043 /nfs/dbraw/zinc/71/40/43/569714043.db2.gz LJCLYHPWQJDZIY-UHFFFAOYSA-N 0 1 486.937 3.967 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000035991287 569744344 /nfs/dbraw/zinc/74/43/44/569744344.db2.gz MXUIGXNMCKSBTA-SANMLTNESA-N 0 1 476.621 3.635 50 0 JHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000100184806 569754978 /nfs/dbraw/zinc/75/49/78/569754978.db2.gz BTOBZXHDANZKDV-YRIIQKNPSA-N 0 1 493.563 3.721 50 0 JHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2Cl)CC1 ZINC000036341024 569764176 /nfs/dbraw/zinc/76/41/76/569764176.db2.gz NRMMHLMEBLYBCO-QHCPKHFHSA-N 0 1 471.001 3.672 50 0 JHAAMN COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000100876311 569773642 /nfs/dbraw/zinc/77/36/42/569773642.db2.gz VNZLPYSSKUBXPE-IZHYLOQSSA-N 0 1 495.582 3.726 50 0 JHAAMN CCOC(=O)C1=C(CN2CCn3cccc3[C@@H]2c2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000036390021 569774381 /nfs/dbraw/zinc/77/43/81/569774381.db2.gz XRDLBAWOJCYCPZ-DQEYMECFSA-N 0 1 456.546 3.764 50 0 JHAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F ZINC000036576253 569776860 /nfs/dbraw/zinc/77/68/60/569776860.db2.gz IUHXBRPOAGIDGK-CTNGQTDRSA-N 0 1 456.905 3.644 50 0 JHAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)N1CCCC1 ZINC000036624055 569778702 /nfs/dbraw/zinc/77/87/02/569778702.db2.gz QOEIUOLAEVDDJX-YKSBVNFPSA-N 0 1 485.650 3.825 50 0 JHAAMN Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)[nH]c(=O)c2c1C ZINC000036697682 569780100 /nfs/dbraw/zinc/78/01/00/569780100.db2.gz BIYKOMTWKNFGHK-SJLPKXTDSA-N 0 1 456.637 3.614 50 0 JHAAMN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1 ZINC000037524974 569793389 /nfs/dbraw/zinc/79/33/89/569793389.db2.gz KGOMBZZCOHIARO-UHFFFAOYSA-N 0 1 490.648 3.794 50 0 JHAAMN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)CC1)c1cccs1 ZINC000037525403 569793560 /nfs/dbraw/zinc/79/35/60/569793560.db2.gz OLRHEGGSOGPKTP-UHFFFAOYSA-N 0 1 466.651 3.847 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344109 569793855 /nfs/dbraw/zinc/79/38/55/569793855.db2.gz WYVDJKTXZNTTHU-DHMIZTNRSA-N 0 1 451.526 3.888 50 0 JHAAMN Cc1[nH]c2c(cccc2C(F)(F)F)c1CCNC(Nc1ccccc1)=C1C(=O)NC(=O)N(C)C1=O ZINC000101378181 569795199 /nfs/dbraw/zinc/79/51/99/569795199.db2.gz POEHFBPIDUBDGE-ZZEZOPTASA-N 0 1 485.466 3.659 50 0 JHAAMN COc1ccc(C)cc1NS(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000101628674 569801999 /nfs/dbraw/zinc/80/19/99/569801999.db2.gz VUUWCABGMMJIQF-OALUTQOASA-N 0 1 456.564 3.788 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)c(C)c4O)[nH]n3)cc2)n1 ZINC000038704217 569806174 /nfs/dbraw/zinc/80/61/74/569806174.db2.gz IZQNGOZHABDZFT-UHFFFAOYSA-N 0 1 492.561 3.859 50 0 JHAAMN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000039577233 569810894 /nfs/dbraw/zinc/81/08/94/569810894.db2.gz IGRVQKYUOYSWCX-NEPJUHHUSA-N 0 1 459.351 3.788 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000102290043 569811983 /nfs/dbraw/zinc/81/19/83/569811983.db2.gz CHUKDFIWMUJMIB-BGYRXZFFSA-N 0 1 456.564 3.788 50 0 JHAAMN CCOC(=O)c1sc2ncnc(NCCN3CCc4cc(OC)c(OC)cc4C3)c2c1C ZINC000040155596 569820820 /nfs/dbraw/zinc/82/08/20/569820820.db2.gz IPMNDGAWUCPIQY-UHFFFAOYSA-N 0 1 456.568 3.664 50 0 JHAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1OC ZINC000102762535 569822491 /nfs/dbraw/zinc/82/24/91/569822491.db2.gz DNXXZHCPMYZUJT-PQNGQFLHSA-N 0 1 460.486 3.764 50 0 JHAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103002220 569831421 /nfs/dbraw/zinc/83/14/21/569831421.db2.gz ZQDXUEHIPIDKFB-GMEJZMGFSA-N 0 1 485.971 3.875 50 0 JHAAMN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104985289 569848737 /nfs/dbraw/zinc/84/87/37/569848737.db2.gz HSBOTZBDTAASGI-FYYLOGMGSA-N 0 1 482.508 3.720 50 0 JHAAMN CC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000105003297 569849123 /nfs/dbraw/zinc/84/91/23/569849123.db2.gz XFQRBOPEFVRNJL-NFBKMPQASA-N 0 1 460.640 3.671 50 0 JHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000051316510 569850805 /nfs/dbraw/zinc/85/08/05/569850805.db2.gz ZWFKSBHVMSHFLT-UHFFFAOYSA-N 0 1 453.499 3.686 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cc(C)ccc2OC)cc1Cl ZINC000051316589 569851231 /nfs/dbraw/zinc/85/12/31/569851231.db2.gz MUHVTYUTZADIFI-UHFFFAOYSA-N 0 1 485.953 3.819 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000136638190 569864800 /nfs/dbraw/zinc/86/48/00/569864800.db2.gz AYRAODBRFZDFIE-IMBSWCNGSA-N 0 1 451.526 3.685 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000136638190 569864801 /nfs/dbraw/zinc/86/48/01/569864801.db2.gz AYRAODBRFZDFIE-IMBSWCNGSA-N 0 1 451.526 3.685 50 0 JHAAMN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)[C@H](C)C(C)(C)O ZINC000245280348 570061759 /nfs/dbraw/zinc/06/17/59/570061759.db2.gz NNRJFUMDJMRWMN-DENIHFKCSA-N 0 1 460.640 3.669 50 0 JHAAMN CC(=O)[C@@H]1C(=C(O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245311987 570063570 /nfs/dbraw/zinc/06/35/70/570063570.db2.gz RJYNYXRVPJSOJH-UDFVPUEDSA-N 0 1 453.473 3.783 50 0 JHAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCCC[C@H]43)C2=O)cc1 ZINC000248152476 570075616 /nfs/dbraw/zinc/07/56/16/570075616.db2.gz XBXBRAGULDMOJL-CVDCTZTESA-N 0 1 473.451 3.898 50 0 JHAAMN CC(C)CN1CCO[C@H](CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCC4)C1 ZINC000248231288 570076499 /nfs/dbraw/zinc/07/64/99/570076499.db2.gz KWUIHDJTUUPURB-SJORKVTESA-N 0 1 463.669 3.575 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000248332816 570077719 /nfs/dbraw/zinc/07/77/19/570077719.db2.gz JJHRXZGFKLPUEV-RAZUEPIFSA-N 0 1 453.901 3.527 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]1[C@H]1CCCN12 ZINC000249685122 570078580 /nfs/dbraw/zinc/07/85/80/570078580.db2.gz FHIXKGYRGKAFAC-XUJKJYMVSA-N 0 1 469.463 3.551 50 0 JHAAMN COC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c(O)cc(C)oc1=O ZINC000253406062 570097060 /nfs/dbraw/zinc/09/70/60/570097060.db2.gz IRXLGBSLHSBIRE-FQEVSTJZSA-N 0 1 450.487 3.905 50 0 biogenic JHAAMN COc1ccc(NC(=O)C[C@@H](c2cc3c(c(OC)c2)OCO3)c2c(O)cc(C)oc2=O)cc1 ZINC000253470785 570099139 /nfs/dbraw/zinc/09/91/39/570099139.db2.gz DNWNXSNNDCBSIT-KRWDZBQOSA-N 0 1 453.447 3.560 50 0 JHAAMN COc1ccc(CCNC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253471133 570099128 /nfs/dbraw/zinc/09/91/28/570099128.db2.gz MEKGFZXVUIHEBK-HXUWFJFHSA-N 0 1 497.544 3.569 50 0 JHAAMN Cc1cc(O)c([C@H](CC(=O)NCCc2c[nH]c3ccccc23)c2ccc3c(c2)OCO3)c(=O)o1 ZINC000253471262 570099260 /nfs/dbraw/zinc/09/92/60/570099260.db2.gz ONDCIXFMVLFESL-LJQANCHMSA-N 0 1 460.486 3.745 50 0 JHAAMN 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ZINC000009315775 194687360 /nfs/dbraw/zinc/68/73/60/194687360.db2.gz NISSLYMUYLBBQA-RPBOFIJWSA-N 0 1 475.589 3.973 50 0 JHAAMN COc1ccc(-c2cc3ncn(CC(=O)NC[C@H](c4ccco4)N4CCCC4)c(=O)c3s2)cc1 ZINC000009712017 194905399 /nfs/dbraw/zinc/90/53/99/194905399.db2.gz HPQCUECKXWARKA-HXUWFJFHSA-N 0 1 478.574 3.680 50 0 JHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000009907985 195018724 /nfs/dbraw/zinc/01/87/24/195018724.db2.gz BQPLWMNPEDRRTE-UHFFFAOYSA-N 0 1 453.583 3.930 50 0 JHAAMN COc1ccc(C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000009876498 195008663 /nfs/dbraw/zinc/00/86/63/195008663.db2.gz RPZATWVBICDRDZ-GFCCVEGCSA-N 0 1 453.358 3.787 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)N2CCCC2)cc1 ZINC000012683685 195085145 /nfs/dbraw/zinc/08/51/45/195085145.db2.gz VTYVJKAAAFTSIH-QHCPKHFHSA-N 0 1 492.041 3.700 50 0 JHAAMN COC(=O)c1sc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)c(C(=O)OC)c1C ZINC000012775720 195120554 /nfs/dbraw/zinc/12/05/54/195120554.db2.gz OAUFGXWKZYQTIQ-UHFFFAOYSA-N 0 1 472.563 3.553 50 0 JHAAMN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1cccs1 ZINC000012792959 195133578 /nfs/dbraw/zinc/13/35/78/195133578.db2.gz LLLGTQZNGAJCNX-KRWDZBQOSA-N 0 1 490.478 3.875 50 0 JHAAMN COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(OC)c(C)c2)CC3)o1 ZINC000020908910 195245874 /nfs/dbraw/zinc/24/58/74/195245874.db2.gz MUOLEQQIFVSWSI-JOCHJYFZSA-N 0 1 495.624 3.910 50 0 JHAAMN CCOc1ccc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)n[nH]2)cc1 ZINC000021017142 195266900 /nfs/dbraw/zinc/26/69/00/195266900.db2.gz YMGMVABNWAZWEE-UHFFFAOYSA-N 0 1 454.958 3.966 50 0 JHAAMN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000058355744 195378132 /nfs/dbraw/zinc/37/81/32/195378132.db2.gz LNNMCMNLFSNRRC-VQTJNVASSA-N 0 1 459.974 3.890 50 0 JHAAMN COc1cc(OC)c(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1Cl ZINC000096324557 130070252 /nfs/dbraw/zinc/07/02/52/130070252.db2.gz MEVJEGHNLMYXFG-UHFFFAOYSA-N 0 1 469.929 3.633 50 0 JHAAMN CC(C)COC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146504 519757692 /nfs/dbraw/zinc/75/76/92/519757692.db2.gz VNUJBUXDHUWIGF-YADHBBJMSA-N 0 1 458.530 3.583 50 0 JHAAMN CC(C)OCCC[N@@H+](C)C1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2)CC1 ZINC000033254044 519761880 /nfs/dbraw/zinc/76/18/80/519761880.db2.gz HRMDLJQFQLDLHQ-UHFFFAOYSA-N 0 1 489.638 3.901 50 0 JHAAMN CCCN1CCN(C(=O)c2cccc(NC(=O)c3nnc(COc4cccc(C)c4)s3)c2)CC1 ZINC000033027396 519856754 /nfs/dbraw/zinc/85/67/54/519856754.db2.gz CHSREXOUVKSBNO-UHFFFAOYSA-N 0 1 479.606 3.846 50 0 JHAAMN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OCC(=O)NCCc2ccccc2)NC(=S)N1 ZINC000016474676 519893784 /nfs/dbraw/zinc/89/37/84/519893784.db2.gz SAQBEGUJDOLZAY-XMMPIXPASA-N 0 1 481.618 3.560 50 0 JHAAMN CCOC(=O)C1C(CN2CCn3cccc3[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214606 520517967 /nfs/dbraw/zinc/51/79/67/520517967.db2.gz MODQMQYKZNVTOK-GAJHUEQPSA-N 0 1 452.555 3.523 50 0 JHAAMN CCOC(=O)C1C(COc2ccc(Br)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000012412558 520524402 /nfs/dbraw/zinc/52/44/02/520524402.db2.gz XREVWHSBXKPJKR-LJQANCHMSA-N 0 1 461.312 3.708 50 0 JHAAMN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2s1 ZINC000033299046 520545798 /nfs/dbraw/zinc/54/57/98/520545798.db2.gz RPFDODOEMKJVCI-UHFFFAOYSA-N 0 1 460.986 3.943 50 0 JHAAMN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)N5CCN(CCC)CC5)n4ccn3n2)cc1 ZINC000064947054 520851547 /nfs/dbraw/zinc/85/15/47/520851547.db2.gz FHFUWDYSOJXXOL-UHFFFAOYSA-N 0 1 489.624 3.710 50 0 JHAAMN CCC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036309189 521182474 /nfs/dbraw/zinc/18/24/74/521182474.db2.gz XDZKSLVFGKUZPL-UGKGYDQZSA-N 0 1 478.630 3.892 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCC ZINC000036309825 521537247 /nfs/dbraw/zinc/53/72/47/521537247.db2.gz GKVVRBBSLNSRGE-UGKGYDQZSA-N 0 1 464.603 3.501 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COCC ZINC000036309503 521537764 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/nfs/dbraw/zinc/67/78/87/569677887.db2.gz HMVMYOMDYVRKBZ-DEOSSOPVSA-N 0 1 483.012 3.950 50 0 JHAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCCO3)C(c1ccc(F)cc1)=N2 ZINC000035373001 569683523 /nfs/dbraw/zinc/68/35/23/569683523.db2.gz GLBHILKGMHELRA-UHFFFAOYSA-N 0 1 482.581 3.982 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287576 569684467 /nfs/dbraw/zinc/68/44/67/569684467.db2.gz ZIYXTNMKLSGPLI-XMMPIXPASA-N 0 1 499.011 3.650 50 0 JHAAMN CC(C)CCNC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000071765041 569697314 /nfs/dbraw/zinc/69/73/14/569697314.db2.gz AZIOJCQXTXYRFS-UHFFFAOYSA-N 0 1 464.396 3.576 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000069559463 569693245 /nfs/dbraw/zinc/69/32/45/569693245.db2.gz HKYPPWLONHDMGZ-DEOSSOPVSA-N 0 1 498.693 3.918 50 0 JHAAMN CNC(=O)c1cc(S(=O)(=O)c2ccc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)ccn1 ZINC000085393827 569710053 /nfs/dbraw/zinc/71/00/53/569710053.db2.gz 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Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3F)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033034396 525595661 /nfs/dbraw/zinc/59/56/61/525595661.db2.gz MQSHLNSQJFQTAY-UHFFFAOYSA-N 0 1 496.608 3.583 50 0 JHAAMN Cc1ccnn1CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1 ZINC000072404829 525777144 /nfs/dbraw/zinc/77/71/44/525777144.db2.gz OFZBKYGUUKUAPZ-SFHVURJKSA-N 0 1 469.509 3.555 50 0 JHAAMN COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2c(OC)ccc4ccccc42)CC3)c1 ZINC000014992702 525824808 /nfs/dbraw/zinc/82/48/08/525824808.db2.gz OTJZSLSGMHGMLF-IBGZPJMESA-N 0 1 485.588 3.998 50 0 JHAAMN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022793862 526147686 /nfs/dbraw/zinc/14/76/86/526147686.db2.gz JVSPDWLCETWFHV-LJQANCHMSA-N 0 1 455.562 3.590 50 0 JHAAMN Cc1ccc2nc(N3CCC(C(=O)NCCN4CCN(c5cccc(Cl)c5)CC4)CC3)[nH]c2c1 ZINC000033070855 526252209 /nfs/dbraw/zinc/25/22/09/526252209.db2.gz GWIAIAZBYBTQGA-UHFFFAOYSA-N 0 1 481.044 3.680 50 0 JHAAMN Cc1[nH]ncc1CNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(Cl)cc4)nn32)CC1 ZINC000033274953 526548595 /nfs/dbraw/zinc/54/85/95/526548595.db2.gz BVLDUFHTINEDQM-UHFFFAOYSA-N 0 1 463.973 3.922 50 0 JHAAMN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000006141436 527624408 /nfs/dbraw/zinc/62/44/08/527624408.db2.gz FXOIIHUGFBTCFT-BJMVGYQFSA-N 0 1 459.325 3.692 50 0 JHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071564 527667950 /nfs/dbraw/zinc/66/79/50/527667950.db2.gz KSRNEUAXTCJCPN-HXUWFJFHSA-N 0 1 481.044 3.761 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC000001226776 553935987 /nfs/dbraw/zinc/93/59/87/553935987.db2.gz LOPQQMXYHVWKSR-UHFFFAOYSA-N 0 1 461.341 3.909 50 0 JHAAMN Cc1c(NC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)sc(=S)n1C ZINC000002236224 554107889 /nfs/dbraw/zinc/10/78/89/554107889.db2.gz WFYBDFBQVHCYMO-UHFFFAOYSA-N 0 1 464.598 3.976 50 0 JHAAMN COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)[nH]2)c1 ZINC000002693096 554289398 /nfs/dbraw/zinc/28/93/98/554289398.db2.gz ZINMSGIMKCZUOT-UHFFFAOYSA-N 0 1 473.576 3.878 50 0 JHAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccccc1F ZINC000002693941 554291402 /nfs/dbraw/zinc/29/14/02/554291402.db2.gz HWZNAHZIGYHUQV-UHFFFAOYSA-N 0 1 453.904 3.538 50 0 JHAAMN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5cnc[nH]5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008740285 554642458 /nfs/dbraw/zinc/64/24/58/554642458.db2.gz WVKNKNKVHAFAEV-ZRYCNTMMSA-N 0 1 478.637 3.768 50 0 biogenic JHAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1OC ZINC000008845410 554742637 /nfs/dbraw/zinc/74/26/37/554742637.db2.gz LEOSZRSEYMVSTR-QFIPXVFZSA-N 0 1 457.914 3.689 50 0 JHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)c(C)c4O)[nH]n3)cc2)n1 ZINC000008845661 554743367 /nfs/dbraw/zinc/74/33/67/554743367.db2.gz GQKXESAMVAQTCU-UHFFFAOYSA-N 0 1 478.534 3.551 50 0 JHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000009119587 554910891 /nfs/dbraw/zinc/91/08/91/554910891.db2.gz KLGYXYNHRJTSJT-UHFFFAOYSA-N 0 1 459.959 3.701 50 0 JHAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000009123915 554914688 /nfs/dbraw/zinc/91/46/88/554914688.db2.gz TUSIZAYFGRZUIH-WNCULLNHSA-N 0 1 486.959 3.861 50 0 JHAAMN Cc1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(F)c1 ZINC000009124877 554916521 /nfs/dbraw/zinc/91/65/21/554916521.db2.gz DBNBIOIQSDXLEA-UHFFFAOYSA-N 0 1 460.458 3.870 50 0 JHAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000009283708 555055412 /nfs/dbraw/zinc/05/54/12/555055412.db2.gz WWMYIINMTIUZRC-UHFFFAOYSA-N 0 1 454.504 3.925 50 0 JHAAMN COc1ccc2nc(SCC(=O)N(C)c3ccccc3C(=O)NCc3ccco3)[nH]c2c1 ZINC000009366873 555128610 /nfs/dbraw/zinc/12/86/10/555128610.db2.gz DNKIHEJAOGCLQC-UHFFFAOYSA-N 0 1 450.520 3.850 50 0 JHAAMN COc1ccc(OC)c(-n2c(SC(C(C)=O)C(=O)N(C)C)nnc2-c2c[nH]c3ccccc32)c1 ZINC000009382531 555147349 /nfs/dbraw/zinc/14/73/49/555147349.db2.gz NBNYRQJLEOQFPC-OAQYLSRUSA-N 0 1 479.562 3.571 50 0 JHAAMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(=O)Nc3ccc4c(c3)OCO4)ccc21 ZINC000009468021 555246519 /nfs/dbraw/zinc/24/65/19/555246519.db2.gz GBXLOQAAOKLSQC-UHFFFAOYSA-N 0 1 493.541 3.768 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000009490984 555267556 /nfs/dbraw/zinc/26/75/56/555267556.db2.gz VDKFAPAIOQCYIW-UHFFFAOYSA-N 0 1 462.549 3.614 50 0 JHAAMN Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000009540800 555333928 /nfs/dbraw/zinc/33/39/28/555333928.db2.gz FZVIMAOWSMUOOY-UHFFFAOYSA-N 0 1 461.885 3.711 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)N2CCCCC2)cc1 ZINC000009546728 555342945 /nfs/dbraw/zinc/34/29/45/555342945.db2.gz AWKHOMYSTVGUHX-VWLOTQADSA-N 0 1 497.617 3.724 50 0 JHAAMN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000009641867 555353009 /nfs/dbraw/zinc/35/30/09/555353009.db2.gz WTZYOBHAXXDYIY-IBGZPJMESA-N 0 1 466.538 3.810 50 0 JHAAMN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2)C1 ZINC000009582023 555389041 /nfs/dbraw/zinc/38/90/41/555389041.db2.gz VBUYSGCNTKSILQ-JQVVWYNYSA-N 0 1 459.612 3.513 50 0 JHAAMN CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000009780858 555500566 /nfs/dbraw/zinc/50/05/66/555500566.db2.gz NDJZBSGOIFZACO-UHFFFAOYSA-N 0 1 488.411 3.986 50 0 JHAAMN Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccs2)cc1 ZINC000013988586 555667625 /nfs/dbraw/zinc/66/76/25/555667625.db2.gz UHHMMTIJDGHBLL-CYFREDJKSA-N 0 1 499.658 3.784 50 0 JHAAMN CN(C)CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc2ccc(Cl)cc2s1 ZINC000010461278 555717867 /nfs/dbraw/zinc/71/78/67/555717867.db2.gz PCPRZAYEJXUSHU-UHFFFAOYSA-N 0 1 456.955 3.812 50 0 JHAAMN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccccc1Cl ZINC000010514202 555722176 /nfs/dbraw/zinc/72/21/76/555722176.db2.gz AQVFALBPDRFISE-UHFFFAOYSA-N 0 1 460.021 3.993 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cc(Cl)ccc3C)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283977 555753560 /nfs/dbraw/zinc/75/35/60/555753560.db2.gz SXVNTFGBINWUGI-QHCPKHFHSA-N 0 1 468.985 3.642 50 0 JHAAMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000014255196 555756388 /nfs/dbraw/zinc/75/63/88/555756388.db2.gz NWVRYYGBHFGNHC-HXUWFJFHSA-N 0 1 485.650 3.849 50 0 JHAAMN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NC[C@H](c1ccco1)N1CCCCC1 ZINC000011599159 555789241 /nfs/dbraw/zinc/78/92/41/555789241.db2.gz KEFSZFPOQJXORS-QGZVFWFLSA-N 0 1 454.596 3.732 50 0 JHAAMN COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000014367882 555800434 /nfs/dbraw/zinc/80/04/34/555800434.db2.gz IRTUIMQFJCOLES-JLCFBVMHSA-N 0 1 472.494 3.802 50 0 JHAAMN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccccn4)CC2)n3C)cc1 ZINC000020533555 555805291 /nfs/dbraw/zinc/80/52/91/555805291.db2.gz BEDSQSUHZXPPFR-UHFFFAOYSA-N 0 1 484.604 3.659 50 0 JHAAMN CCOC(=O)[C@H]1CCCCN1C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000011785489 555818069 /nfs/dbraw/zinc/81/80/69/555818069.db2.gz CXAJBJHVPKTVBP-XMMPIXPASA-N 0 1 493.604 3.732 50 0 JHAAMN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020574778 555829475 /nfs/dbraw/zinc/82/94/75/555829475.db2.gz LGPNQPDEJDVAPD-UHFFFAOYSA-N 0 1 491.447 3.706 50 0 JHAAMN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000014540897 555831067 /nfs/dbraw/zinc/83/10/67/555831067.db2.gz SHSHRYRCGDVDLV-OAQYLSRUSA-N 0 1 456.034 3.769 50 0 JHAAMN CCCc1cc(CN(C)C(=O)c2cc3nc(-c4ccccc4)n(C)c3c(NC(=O)COC)c2)n[nH]1 ZINC000011838808 555831839 /nfs/dbraw/zinc/83/18/39/555831839.db2.gz OBXFZZYDXLJQEP-UHFFFAOYSA-N 0 1 474.565 3.773 50 0 JHAAMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)ccc21 ZINC000015248149 555890749 /nfs/dbraw/zinc/89/07/49/555890749.db2.gz WIPZLLPMYZPVTH-UHFFFAOYSA-N 0 1 450.442 3.601 50 0 JHAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)C2CC2)C1 ZINC000012191454 555938875 /nfs/dbraw/zinc/93/88/75/555938875.db2.gz ZGQORTKRGSEFQI-INIZCTEOSA-N 0 1 472.611 3.512 50 0 JHAAMN COc1ccccc1N1CCN(CCCNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)CC1 ZINC000015727129 555966182 /nfs/dbraw/zinc/96/61/82/555966182.db2.gz HTZXEJUXEXMDNE-UHFFFAOYSA-N 0 1 491.636 4.000 50 0 JHAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773991 555992392 /nfs/dbraw/zinc/99/23/92/555992392.db2.gz VGPMDPDTSBKPRR-MHZLTWQESA-N 0 1 486.591 3.726 50 0 JHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccccc3NC(=O)C3=CSCCO3)CC2)c1 ZINC000015774213 555992441 /nfs/dbraw/zinc/99/24/41/555992441.db2.gz IRLJJTAZIKOTMB-UHFFFAOYSA-N 0 1 494.661 3.789 50 0 JHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 ZINC000015781322 556000459 /nfs/dbraw/zinc/00/04/59/556000459.db2.gz QUUBUUZBVBYRMT-UHFFFAOYSA-N 0 1 488.587 3.646 50 0 JHAAMN CCN1CCN([C@@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000023086521 556007802 /nfs/dbraw/zinc/00/78/02/556007802.db2.gz FPHJWOUKJXMTMG-DEOSSOPVSA-N 0 1 452.986 3.686 50 0 JHAAMN CN1CCN(c2ccc(NC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)cc2)CC1 ZINC000023134069 556020036 /nfs/dbraw/zinc/02/00/36/556020036.db2.gz XEONIFXLDHLSFJ-UHFFFAOYSA-N 0 1 456.546 3.607 50 0 JHAAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012552587 556036034 /nfs/dbraw/zinc/03/60/34/556036034.db2.gz HHDPCSCSEOJYEN-CQSZACIVSA-N 0 1 486.477 3.539 50 0 JHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012590528 556086617 /nfs/dbraw/zinc/08/66/17/556086617.db2.gz DUNDJHHFVZWMMI-DEOSSOPVSA-N 0 1 485.650 3.512 50 0 JHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015969176 556094854 /nfs/dbraw/zinc/09/48/54/556094854.db2.gz WJHHXTHCLJXEMZ-SQVYLTPJSA-N 0 1 496.954 3.989 50 0 biogenic JHAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000015970033 556096033 /nfs/dbraw/zinc/09/60/33/556096033.db2.gz UVHGKDWHEYBPHM-MSZDEVHKSA-N 0 1 476.964 3.585 50 0 biogenic JHAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000015970195 556096285 /nfs/dbraw/zinc/09/62/85/556096285.db2.gz XAHYQSZXMCHSLW-LMMUWCHVSA-N 0 1 476.964 3.585 50 0 biogenic JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000015971911 556097002 /nfs/dbraw/zinc/09/70/02/556097002.db2.gz OZXUELISYIIBOP-SODQHWRNSA-N 0 1 490.563 3.952 50 0 JHAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015998917 556103955 /nfs/dbraw/zinc/10/39/55/556103955.db2.gz AYRAODBRFZDFIE-NLJXWPIHSA-N 0 1 451.526 3.685 50 0 JHAAMN CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 ZINC000016009849 556108921 /nfs/dbraw/zinc/10/89/21/556108921.db2.gz VPXVJXUTWLYFSH-ORGXJRBJSA-N 0 1 477.870 3.940 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016033859 556117990 /nfs/dbraw/zinc/11/79/90/556117990.db2.gz SQGDFTCDZPGDGK-NLJXWPIHSA-N 0 1 451.526 3.833 50 0 JHAAMN COc1ccc(CCNc2nc3n[nH]c(N)c3c3c2CN(Cc2ccccc2)CC3)cc1OC ZINC000024980105 556168015 /nfs/dbraw/zinc/16/80/15/556168015.db2.gz WKKSBUFUWAHBON-UHFFFAOYSA-N 0 1 458.566 3.770 50 0 JHAAMN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1=O ZINC000012978732 556171434 /nfs/dbraw/zinc/17/14/34/556171434.db2.gz SBECLHNKJXJNME-XMMPIXPASA-N 0 1 457.515 3.713 50 0 JHAAMN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)cc1OC ZINC000017053543 556214145 /nfs/dbraw/zinc/21/41/45/556214145.db2.gz SIDVIODWKHQDHY-UHFFFAOYSA-N 0 1 499.531 3.902 50 0 JHAAMN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000017149108 556227088 /nfs/dbraw/zinc/22/70/88/556227088.db2.gz IHSPQHAOTCUDKF-UHFFFAOYSA-N 0 1 477.568 3.787 50 0 JHAAMN CCOC(=O)C1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000017296964 556252205 /nfs/dbraw/zinc/25/22/05/556252205.db2.gz JEXIGTYXFZEHRD-VWLOTQADSA-N 0 1 480.561 3.877 50 0 JHAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)[nH]c2=O)cc1 ZINC000017308160 556256361 /nfs/dbraw/zinc/25/63/61/556256361.db2.gz NKSSHSGLWCXYHJ-UHFFFAOYSA-N 0 1 479.967 3.798 50 0 JHAAMN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013112551 556314171 /nfs/dbraw/zinc/31/41/71/556314171.db2.gz NDASIQOULHLMHV-UHFFFAOYSA-N 0 1 489.041 3.512 50 0 JHAAMN COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccccc2NS(C)(=O)=O)cs1 ZINC000018263447 556317648 /nfs/dbraw/zinc/31/76/48/556317648.db2.gz VDPIKYXLJCPYQE-UHFFFAOYSA-N 0 1 475.548 3.565 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)N2CCCC2)cc1 ZINC000013121194 556336505 /nfs/dbraw/zinc/33/65/05/556336505.db2.gz GWNZHHMMHIQAQE-SANMLTNESA-N 0 1 493.629 3.741 50 0 JHAAMN CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000029323865 556350217 /nfs/dbraw/zinc/35/02/17/556350217.db2.gz UZQZURHBUPJVQZ-UHFFFAOYSA-N 0 1 463.151 3.764 50 0 JHAAMN O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029957007 556360829 /nfs/dbraw/zinc/36/08/29/556360829.db2.gz NTCVHONIFJLEON-IBGZPJMESA-N 0 1 485.466 3.652 50 0 JHAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000031807112 556405063 /nfs/dbraw/zinc/40/50/63/556405063.db2.gz DRXGISLOCZEWCZ-XMMPIXPASA-N 0 1 480.952 3.783 50 0 JHAAMN O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3 ZINC000052569996 563204822 /nfs/dbraw/zinc/20/48/22/563204822.db2.gz BJIPVHLRWSDKOS-UHFFFAOYSA-N 0 1 452.555 3.914 50 0 aggregator JHAAMN Cc1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000054284457 569589819 /nfs/dbraw/zinc/58/98/19/569589819.db2.gz JHFOKVLHYFITDC-UHFFFAOYSA-N 0 1 456.472 3.806 50 0 JHAAMN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000008719718 569597671 /nfs/dbraw/zinc/59/76/71/569597671.db2.gz YJIGXHWEEINUTA-LBPRGKRZSA-N 0 1 488.982 3.926 50 0 JHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)CCn3c4cc(C)c(C)cc4nc(C)c3=O)CC2)c1 ZINC000033005735 569614546 /nfs/dbraw/zinc/61/45/46/569614546.db2.gz NBZJSHMMQGZQSW-UHFFFAOYSA-N 0 1 489.664 3.657 50 0 JHAAMN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 ZINC000064557677 569618308 /nfs/dbraw/zinc/61/83/08/569618308.db2.gz VTZBTVDKZHITNR-HXUWFJFHSA-N 0 1 467.474 3.944 50 0 JHAAMN Cn1c2c(C(=O)Nc3cccc(C(F)(F)F)c3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836058 569636678 /nfs/dbraw/zinc/63/66/78/569636678.db2.gz KQUOFKHERWDWDW-UHFFFAOYSA-N 0 1 481.478 3.862 50 0 JHAAMN COc1ccc(CN2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)c(OC)c1 ZINC000034681987 569643741 /nfs/dbraw/zinc/64/37/41/569643741.db2.gz GVJUUBKQILRDPP-UHFFFAOYSA-N 0 1 476.577 3.829 50 0 JHAAMN Cc1ccc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc1-n1nnc2cccnc21 ZINC000064925628 569646582 /nfs/dbraw/zinc/64/65/82/569646582.db2.gz MFRIBTPMLOSUDJ-UHFFFAOYSA-N 0 1 490.011 3.719 50 0 JHAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2Cl)c1 ZINC000065011064 569648119 /nfs/dbraw/zinc/64/81/19/569648119.db2.gz OAECGCSFXGCRKY-UHFFFAOYSA-N 0 1 486.937 3.888 50 0 JHAAMN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccc(C)cc4C)c(Cl)cc32)no1 ZINC000065022497 569649129 /nfs/dbraw/zinc/64/91/29/569649129.db2.gz FXYFXHDJYLTCKG-UHFFFAOYSA-N 0 1 476.942 3.629 50 0 JHAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)CC(C)(C)C ZINC000034834541 569664758 /nfs/dbraw/zinc/66/47/58/569664758.db2.gz KALDYDPMNZNMQG-UHFFFAOYSA-N 0 1 473.637 3.873 50 0 JHAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000065116090 569666144 /nfs/dbraw/zinc/66/61/44/569666144.db2.gz BKJSSSSBSJEQOY-UHFFFAOYSA-N 0 1 457.508 3.874 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205211 569677734 /nfs/dbraw/zinc/67/77/34/569677734.db2.gz MVMBPJGAKRMKRD-QHCPKHFHSA-N 0 1 468.985 3.642 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205117 569677854 /nfs/dbraw/zinc/67/78/54/569677854.db2.gz HMVMYOMDYVRKBZ-XMMPIXPASA-N 0 1 483.012 3.950 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205165 569677898 /nfs/dbraw/zinc/67/78/98/569677898.db2.gz HYJIMUWKSNKXHQ-QFIPXVFZSA-N 0 1 489.403 3.987 50 0 JHAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccccc1)=N2 ZINC000035373015 569683404 /nfs/dbraw/zinc/68/34/04/569683404.db2.gz BBZRLADJVJEQIO-UHFFFAOYSA-N 0 1 450.564 3.800 50 0 JHAAMN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000035397903 569688568 /nfs/dbraw/zinc/68/85/68/569688568.db2.gz DGIXHJOLPFEFFG-UHFFFAOYSA-N 0 1 472.611 3.652 50 0 JHAAMN COC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067689646 569689880 /nfs/dbraw/zinc/68/98/80/569689880.db2.gz IDQZPBKDONWBKB-OAQYLSRUSA-N 0 1 475.376 3.597 50 0 JHAAMN COC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067689648 569689978 /nfs/dbraw/zinc/68/99/78/569689978.db2.gz PNCMRLMLLDHGBB-OAQYLSRUSA-N 0 1 475.376 3.597 50 0 JHAAMN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1=O ZINC000068708247 569691683 /nfs/dbraw/zinc/69/16/83/569691683.db2.gz PYYVZJQEXRRRKW-AREMUKBSSA-N 0 1 489.482 3.838 50 0 JHAAMN COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C ZINC000085652065 569713861 /nfs/dbraw/zinc/71/38/61/569713861.db2.gz KYAOPHGOEZAVAW-UHFFFAOYSA-N 0 1 480.546 3.931 50 0 JHAAMN CCOC(=O)CCCN(CCCOC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844864 569715339 /nfs/dbraw/zinc/71/53/39/569715339.db2.gz KSHVODGDRNBEDE-UHFFFAOYSA-N 0 1 458.599 3.841 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000089453921 569718548 /nfs/dbraw/zinc/71/85/48/569718548.db2.gz STJLKRXSLBKYBJ-UHFFFAOYSA-N 0 1 476.457 3.570 50 0 JHAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1ccncc1)C2 ZINC000035871732 569718986 /nfs/dbraw/zinc/71/89/86/569718986.db2.gz XQXIWTZFDQYWAV-AOYPEHQESA-N 0 1 477.008 3.923 50 0 JHAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000096576584 569741502 /nfs/dbraw/zinc/74/15/02/569741502.db2.gz XRVZWKCHWTXEEF-XMMPIXPASA-N 0 1 485.028 3.770 50 0 JHAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1F ZINC000096791841 569743013 /nfs/dbraw/zinc/74/30/13/569743013.db2.gz PWBNEESKFPNCLM-IBGZPJMESA-N 0 1 467.339 3.702 50 0 JHAAMN Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)[nH]c(=O)c2c1C ZINC000036697683 569780078 /nfs/dbraw/zinc/78/00/78/569780078.db2.gz BIYKOMTWKNFGHK-WMZOPIPTSA-N 0 1 456.637 3.614 50 0 JHAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000037253090 569781971 /nfs/dbraw/zinc/78/19/71/569781971.db2.gz WJIKERFASHCTQI-JPYJTQIMSA-N 0 1 494.032 3.833 50 0 JHAAMN O=C1c2ccccc2/C(=C\NCCCN2CCOCC2)C(=O)N1c1ccccc1C(F)(F)F ZINC000101278481 569788899 /nfs/dbraw/zinc/78/88/99/569788899.db2.gz RMGBBWLCCFRHOY-KNTRCKAVSA-N 0 1 459.468 3.545 50 0 JHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101343421 569793652 /nfs/dbraw/zinc/79/36/52/569793652.db2.gz BWYQYIZSZDPTBN-YQYRJILISA-N 0 1 456.329 3.733 50 0 JHAAMN CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)C[C@H]1c1ccc(Cl)cc1 ZINC000101765474 569804482 /nfs/dbraw/zinc/80/44/82/569804482.db2.gz REZQQDQJBCAZJI-IBGZPJMESA-N 0 1 466.925 3.589 50 0 JHAAMN CCc1ccccc1NS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC ZINC000102289803 569812033 /nfs/dbraw/zinc/81/20/33/569812033.db2.gz ZQWJAFLKDQTMJJ-KDURUIRLSA-N 0 1 456.564 3.734 50 0 JHAAMN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1 ZINC000040150148 569819535 /nfs/dbraw/zinc/81/95/35/569819535.db2.gz YZTCLXUKZSVMHN-UHFFFAOYSA-N 0 1 452.511 3.795 50 0 JHAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c1 ZINC000040450665 569828763 /nfs/dbraw/zinc/82/87/63/569828763.db2.gz CKTVQSVHOXQGOJ-LLVKDONJSA-N 0 1 451.342 3.750 50 0 JHAAMN O=C1N/C(=C\c2cc(Br)c(O)c(I)c2)C(=O)N1Cc1ccccc1 ZINC000103754967 569837798 /nfs/dbraw/zinc/83/77/98/569837798.db2.gz 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ZINC000019796770 556374519 /nfs/dbraw/zinc/37/45/19/556374519.db2.gz URFVMPDADWPVBB-JOCHJYFZSA-N 0 1 454.958 3.722 50 0 JHAAMN COc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000031500796 556398291 /nfs/dbraw/zinc/39/82/91/556398291.db2.gz HMXZFFCFRUQHII-HXUWFJFHSA-N 0 1 491.573 3.824 50 0 JHAAMN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000032691674 556471205 /nfs/dbraw/zinc/47/12/05/556471205.db2.gz FKNRRYQCVCDUMX-UHFFFAOYSA-N 0 1 459.380 3.851 50 0 JHAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032781209 556494135 /nfs/dbraw/zinc/49/41/35/556494135.db2.gz BSQMRGPBVAQTMY-IBGZPJMESA-N 0 1 494.032 3.661 50 0 JHAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000032915601 556539442 /nfs/dbraw/zinc/53/94/42/556539442.db2.gz NUTZIUVWIKWUMC-UHFFFAOYSA-N 0 1 456.594 3.818 50 0 JHAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccc(C)cc3)c(=O)c2c1 ZINC000006296471 562937167 /nfs/dbraw/zinc/93/71/67/562937167.db2.gz ALQOTZHISVCGAW-UHFFFAOYSA-N 0 1 475.570 3.982 50 0 JHAAMN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CCN(Cc1cc3ccccc3s1)CC2 ZINC000023128980 563019946 /nfs/dbraw/zinc/01/99/46/563019946.db2.gz ZQCCDTFXPYYATC-UHFFFAOYSA-N 0 1 494.642 3.859 50 0 JHAAMN O=C(NC1CCCCCC1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1=O ZINC000006181536 569588786 /nfs/dbraw/zinc/58/87/86/569588786.db2.gz XODFLRLJQUVEIX-UHFFFAOYSA-N 0 1 497.573 3.553 50 0 JHAAMN Brc1ccc(Nc2nc3nonc3nc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000055399143 569591807 /nfs/dbraw/zinc/59/18/07/569591807.db2.gz PANTYBATTUVYPZ-UHFFFAOYSA-N 0 1 466.343 3.841 50 0 JHAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000008694602 569593328 /nfs/dbraw/zinc/59/33/28/569593328.db2.gz XBXBRAGULDMOJL-XXBNENTESA-N 0 1 473.451 3.898 50 0 JHAAMN O=C(NCCn1ncc2c1ncnc2N1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000056965557 569593819 /nfs/dbraw/zinc/59/38/19/569593819.db2.gz OTVPEBVAIOZPDG-UHFFFAOYSA-N 0 1 491.599 3.732 50 0 JHAAMN CC(C)c1ccc(NC(=O)[C@@H]2CCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)C(F)(F)F)cc1 ZINC000057270878 569595325 /nfs/dbraw/zinc/59/53/25/569595325.db2.gz MKKCJCRPBOPXRZ-UXHICEINSA-N 0 1 461.484 3.639 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000032975701 569606247 /nfs/dbraw/zinc/60/62/47/569606247.db2.gz HWMJTDLEIXLIDW-RTBURBONSA-N 0 1 456.564 3.788 50 0 JHAAMN CCc1ccccc1NS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1OC ZINC000032975702 569606317 /nfs/dbraw/zinc/60/63/17/569606317.db2.gz ZQWJAFLKDQTMJJ-RTBURBONSA-N 0 1 456.564 3.734 50 0 JHAAMN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 ZINC000064557679 569618251 /nfs/dbraw/zinc/61/82/51/569618251.db2.gz VTZBTVDKZHITNR-FQEVSTJZSA-N 0 1 467.474 3.944 50 0 JHAAMN Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)CC2)c(C)c1C ZINC000033024425 569619886 /nfs/dbraw/zinc/61/98/86/569619886.db2.gz QGJPPMVSCDPVTQ-UHFFFAOYSA-N 0 1 497.659 3.650 50 0 JHAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]c2=O)cc1 ZINC000064592042 569622363 /nfs/dbraw/zinc/62/23/63/569622363.db2.gz JUODGBSQLWZHAW-UHFFFAOYSA-N 0 1 457.577 3.925 50 0 JHAAMN CC[NH+](CC)CCNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1 ZINC000064611825 569623125 /nfs/dbraw/zinc/62/31/25/569623125.db2.gz AYEYKEOATICPCX-UHFFFAOYSA-N 0 1 467.639 3.634 50 0 JHAAMN CCn1c2c(C(=O)Nc3cc(F)ccc3C)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835919 569636600 /nfs/dbraw/zinc/63/66/00/569636600.db2.gz ZEWYRUCHDNVHMK-UHFFFAOYSA-N 0 1 459.525 3.774 50 0 JHAAMN CSc1cccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)CN(Cc3ccccc3)CC2)c1 ZINC000064836111 569636651 /nfs/dbraw/zinc/63/66/51/569636651.db2.gz FYBHDPGTARPWAD-UHFFFAOYSA-N 0 1 459.575 3.566 50 0 JHAAMN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cccc(C)c4C)c(Cl)cc32)no1 ZINC000065022475 569649075 /nfs/dbraw/zinc/64/90/75/569649075.db2.gz KFPLZPWDPISBNM-UHFFFAOYSA-N 0 1 476.942 3.629 50 0 JHAAMN Cc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1 ZINC000065022557 569649293 /nfs/dbraw/zinc/64/92/93/569649293.db2.gz SEDXVZWVPBGZIP-UHFFFAOYSA-N 0 1 474.926 3.635 50 0 JHAAMN CCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025202 569650383 /nfs/dbraw/zinc/65/03/83/569650383.db2.gz LBFRHDCIRXRFNJ-UHFFFAOYSA-N 0 1 499.681 3.822 50 0 JHAAMN O=C(Cc1ccc(Cl)cc1Cl)N1CCc2n[nH]c(C(=O)N3CCN(c4ccccc4)CC3)c2C1 ZINC000034809638 569661357 /nfs/dbraw/zinc/66/13/57/569661357.db2.gz OQAJZHVUMXMOBL-UHFFFAOYSA-N 0 1 498.414 3.806 50 0 JHAAMN CSc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)sc2C)c1 ZINC000065097655 569661408 /nfs/dbraw/zinc/66/14/08/569661408.db2.gz BLGOSHCKDBMBIO-UHFFFAOYSA-N 0 1 464.594 3.865 50 0 JHAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)Cc1cccs1 ZINC000034834730 569664840 /nfs/dbraw/zinc/66/48/40/569664840.db2.gz HWPVYVTXSFXAOB-UHFFFAOYSA-N 0 1 481.666 3.602 50 0 JHAAMN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(CCOC)Cc1cccc(O)c1 ZINC000034836988 569666369 /nfs/dbraw/zinc/66/63/69/569666369.db2.gz JWUOXQBSPABSJU-UHFFFAOYSA-N 0 1 477.653 3.931 50 0 JHAAMN COc1cc(OC)c(NC(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1Cl ZINC000067601761 569688424 /nfs/dbraw/zinc/68/84/24/569688424.db2.gz KRLUXNWDOWGGIZ-UHFFFAOYSA-N 0 1 474.993 3.800 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067689615 569689716 /nfs/dbraw/zinc/68/97/16/569689716.db2.gz LMGBWJUSIVAVGP-DEOSSOPVSA-N 0 1 499.011 3.650 50 0 JHAAMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(Br)cc2Br)o1 ZINC000071972681 569699380 /nfs/dbraw/zinc/69/93/80/569699380.db2.gz MTRFQECUKJJNEG-UHFFFAOYSA-N 0 1 480.222 3.866 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2)cc1OC ZINC000035528099 569699511 /nfs/dbraw/zinc/69/95/11/569699511.db2.gz OUJRGBUXJGEQOP-UHFFFAOYSA-N 0 1 490.607 3.511 50 0 JHAAMN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000085652094 569714013 /nfs/dbraw/zinc/71/40/13/569714013.db2.gz MPBJRVGWKVTYPO-UHFFFAOYSA-N 0 1 486.937 3.967 50 0 JHAAMN 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CC(C)(C)c1nc2ccc(NC(=O)CNC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000012575441 556075272 /nfs/dbraw/zinc/07/52/72/556075272.db2.gz AZEBDAMXVWZINU-UHFFFAOYSA-N 0 1 476.364 3.652 50 0 JHAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)ccc2Cl)cc1 ZINC000012584985 556082725 /nfs/dbraw/zinc/08/27/25/556082725.db2.gz FFZGFLYLRFKHSK-GASCZTMLSA-N 0 1 452.960 3.789 50 0 JHAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2Cl)cc1 ZINC000012584979 556082748 /nfs/dbraw/zinc/08/27/48/556082748.db2.gz FFZGFLYLRFKHSK-HUUCEWRRSA-N 0 1 452.960 3.789 50 0 JHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969774 556095596 /nfs/dbraw/zinc/09/55/96/556095596.db2.gz NFNFNIQFJVKXLA-QUIZSENMSA-N 0 1 485.971 3.546 50 0 biogenic JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015971849 556096950 /nfs/dbraw/zinc/09/69/50/556096950.db2.gz FJNXKKSNEWSWGE-TUAOVVRQSA-N 0 1 490.563 3.952 50 0 JHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015989977 556102321 /nfs/dbraw/zinc/10/23/21/556102321.db2.gz BWYQYIZSZDPTBN-QYUDBREXSA-N 0 1 456.329 3.733 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001255 556106394 /nfs/dbraw/zinc/10/63/94/556106394.db2.gz JJHRXZGFKLPUEV-UAKAABGRSA-N 0 1 453.901 3.527 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012421 556111413 /nfs/dbraw/zinc/11/14/13/556111413.db2.gz PICXHGZDBRWSQO-PBQROFAYSA-N 0 1 494.389 3.751 50 0 JHAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016020253 556113104 /nfs/dbraw/zinc/11/31/04/556113104.db2.gz JBONLAHGEHZHAV-IMBSWCNGSA-N 0 1 486.547 3.603 50 0 JHAAMN COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccc(Cl)cc3)N3CCN(C)CC3)c2=O)cc1 ZINC000024022725 556116532 /nfs/dbraw/zinc/11/65/32/556116532.db2.gz YUYJQQSXSFNFBH-VWLOTQADSA-N 0 1 467.997 3.909 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)Nc3ccc(OC)c(OC)c3)cs2)cc1 ZINC000016848536 556169951 /nfs/dbraw/zinc/16/99/51/556169951.db2.gz QAHWAMHTPLUULB-UHFFFAOYSA-N 0 1 477.564 3.541 50 0 JHAAMN O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000025067402 556178437 /nfs/dbraw/zinc/17/84/37/556178437.db2.gz CLRVLSHCIQEMGG-UHFFFAOYSA-N 0 1 458.849 3.823 50 0 JHAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000013003628 556195933 /nfs/dbraw/zinc/19/59/33/556195933.db2.gz WJIKERFASHCTQI-FDDCHVKYSA-N 0 1 494.032 3.833 50 0 JHAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000013020489 556211396 /nfs/dbraw/zinc/21/13/96/556211396.db2.gz AGMKCKYFGNRINN-WIYYLYMNSA-N 0 1 480.030 3.677 50 0 JHAAMN COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)c1 ZINC000017135709 556222659 /nfs/dbraw/zinc/22/26/59/556222659.db2.gz GYCCVIOKDZLLKV-UHFFFAOYSA-N 0 1 499.531 3.658 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C(C)=O)cc3)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000025807940 556236903 /nfs/dbraw/zinc/23/69/03/556236903.db2.gz ZIZPMVGKGFAVNK-DEOSSOPVSA-N 0 1 496.995 3.536 50 0 JHAAMN CCOC(=O)C1CCN([C@@H](c2ccccc2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000017296968 556252203 /nfs/dbraw/zinc/25/22/03/556252203.db2.gz TYZBBDRCDRSLND-VWLOTQADSA-N 0 1 461.562 3.670 50 0 JHAAMN O[C@H](COCCOc1ccc(Br)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000026780671 556262535 /nfs/dbraw/zinc/26/25/35/556262535.db2.gz FGWFNIMGNRAOBJ-NRFANRHFSA-N 0 1 483.834 3.677 50 0 JHAAMN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000027496811 556280744 /nfs/dbraw/zinc/28/07/44/556280744.db2.gz WOQHDLROTFOYQO-YADHBBJMSA-N 0 1 461.628 3.624 50 0 JHAAMN CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000027574796 556299620 /nfs/dbraw/zinc/29/96/20/556299620.db2.gz JDOFRSBBXPCSLB-HSZRJFAPSA-N 0 1 467.522 3.624 50 0 JHAAMN CCCc1cc(=O)[n-]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)[NH2+]C3(C)C)n1 ZINC000013109251 556307459 /nfs/dbraw/zinc/30/74/59/556307459.db2.gz ZCVYLWDSJBTDTF-UHFFFAOYSA-N 0 1 492.667 3.851 50 0 JHAAMN O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000028254906 556327313 /nfs/dbraw/zinc/32/73/13/556327313.db2.gz UXHICCMREDMRGA-UHFFFAOYSA-N 0 1 457.733 3.552 50 0 JHAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000031816089 556407535 /nfs/dbraw/zinc/40/75/35/556407535.db2.gz NJKUOPCCYSTZCG-AREMUKBSSA-N 0 1 462.594 3.586 50 0 JHAAMN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1N1CCN(C)CC1 ZINC000032495613 556436658 /nfs/dbraw/zinc/43/66/58/556436658.db2.gz VXVIMBQCOBKZJX-UHFFFAOYSA-N 0 1 456.537 3.516 50 0 JHAAMN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c(C)s1 ZINC000032532472 556444245 /nfs/dbraw/zinc/44/42/45/556444245.db2.gz CFWFSMKPQQFHRM-UHFFFAOYSA-N 0 1 450.607 3.986 50 0 JHAAMN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000032675953 556469571 /nfs/dbraw/zinc/46/95/71/556469571.db2.gz AWGMZDQJOZJJMJ-UHFFFAOYSA-N 0 1 498.583 3.886 50 0 JHAAMN CCOC(=O)C1=C(CN2CCn3cccc3[C@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000032809739 556499725 /nfs/dbraw/zinc/49/97/25/556499725.db2.gz XRDLBAWOJCYCPZ-JWQCQUIFSA-N 0 1 456.546 3.764 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)N2CCCCC2)cc1 ZINC000032903748 556530171 /nfs/dbraw/zinc/53/01/71/556530171.db2.gz FFWWRTUOXCENFU-JOCHJYFZSA-N 0 1 462.550 3.814 50 0 JHAAMN O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000057265401 569595152 /nfs/dbraw/zinc/59/51/52/569595152.db2.gz FGAJVDTYCVDWAV-ZDUSSCGKSA-N 0 1 496.923 3.718 50 0 JHAAMN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000059488009 569605285 /nfs/dbraw/zinc/60/52/85/569605285.db2.gz BZOVMZCCFAAVFI-LZDDTZTRSA-N 0 1 475.998 3.875 50 0 biogenic JHAAMN COc1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000062602465 569612857 /nfs/dbraw/zinc/61/28/57/569612857.db2.gz SXGHGSSOQQXKIP-UHFFFAOYSA-N 0 1 489.663 3.671 50 0 JHAAMN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000064557818 569618324 /nfs/dbraw/zinc/61/83/24/569618324.db2.gz KKHDJIVCSADPFD-OAQYLSRUSA-N 0 1 479.510 3.813 50 0 JHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]c2=O)c(C)c1 ZINC000064579513 569620242 /nfs/dbraw/zinc/62/02/42/569620242.db2.gz ITNDUCGWVGHNEQ-UHFFFAOYSA-N 0 1 457.577 3.979 50 0 JHAAMN CC(C)Sc1cc2c(cc1NS(=O)(=O)c1ccccc1Br)n(C)c(=O)n2C ZINC000064580877 569620720 /nfs/dbraw/zinc/62/07/20/569620720.db2.gz IIINJZGNZGUDFP-UHFFFAOYSA-N 0 1 470.414 3.941 50 0 JHAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3OCC)[nH]c2=O)cc1 ZINC000064592072 569622390 /nfs/dbraw/zinc/62/23/90/569622390.db2.gz CTLXSGKNLDJYBE-UHFFFAOYSA-N 0 1 489.575 3.543 50 0 JHAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000064606101 569622802 /nfs/dbraw/zinc/62/28/02/569622802.db2.gz KJJBROCGVCAVDN-UHFFFAOYSA-N 0 1 496.011 3.869 50 0 JHAAMN CCCN1CCN(C(=O)CN(C)c2nn3c(nc(-c4cccc(C)c4)c3NC(C)(C)C)s2)CC1 ZINC000064703670 569624565 /nfs/dbraw/zinc/62/45/65/569624565.db2.gz KFVLRBNVJDOTPB-UHFFFAOYSA-N 0 1 483.686 3.967 50 0 JHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1 ZINC000064802109 569631841 /nfs/dbraw/zinc/63/18/41/569631841.db2.gz XHHUFHAAQMJABU-UHFFFAOYSA-N 0 1 469.567 3.947 50 0 JHAAMN O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000064847072 569638828 /nfs/dbraw/zinc/63/88/28/569638828.db2.gz IITKUPKXLUJZGM-UHFFFAOYSA-N 0 1 487.664 3.598 50 0 JHAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)C3CCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034835176 569664996 /nfs/dbraw/zinc/66/49/96/569664996.db2.gz KKQDFKQXCVAJRM-UHFFFAOYSA-N 0 1 467.658 3.878 50 0 JHAAMN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000065116507 569666358 /nfs/dbraw/zinc/66/63/58/569666358.db2.gz KDTVEWBOFGXVSL-UHFFFAOYSA-N 0 1 452.945 3.797 50 0 JHAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)sc2C)cc1 ZINC000065116657 569666541 /nfs/dbraw/zinc/66/65/41/569666541.db2.gz MWXPIYSIAOWEPP-UHFFFAOYSA-N 0 1 474.564 3.736 50 0 JHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)cn2C)sc1C(=O)N1CCOCC1 ZINC000065137547 569668505 /nfs/dbraw/zinc/66/85/05/569668505.db2.gz NNALWUJIJCJUAJ-UHFFFAOYSA-N 0 1 495.026 3.692 50 0 JHAAMN CCOc1ccccc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCC3)n2)ccc1C ZINC000065318969 569673416 /nfs/dbraw/zinc/67/34/16/569673416.db2.gz DUJWWSCNUYNHGI-UHFFFAOYSA-N 0 1 470.551 3.871 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067689698 569690068 /nfs/dbraw/zinc/69/00/68/569690068.db2.gz OPJXEYVXKIADQL-XMMPIXPASA-N 0 1 499.011 3.732 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067689742 569690274 /nfs/dbraw/zinc/69/02/74/569690274.db2.gz OJTIGELVFUGSFD-XMMPIXPASA-N 0 1 499.011 3.732 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851715 569716617 /nfs/dbraw/zinc/71/66/17/569716617.db2.gz YWNYZYIBJDIZLN-DHMIZTNRSA-N 0 1 451.526 3.888 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2OC)c1 ZINC000089481813 569718574 /nfs/dbraw/zinc/71/85/74/569718574.db2.gz HQABZMCFYIVVGS-UHFFFAOYSA-N 0 1 472.519 3.774 50 0 JHAAMN O=C(CNCCO)N1N=C(c2ccsc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000096012520 569731810 /nfs/dbraw/zinc/73/18/10/569731810.db2.gz PWTDNACJLACDIM-DEOSSOPVSA-N 0 1 471.586 3.860 50 0 JHAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl ZINC000036575690 569776682 /nfs/dbraw/zinc/77/66/82/569776682.db2.gz NRTCVGRJOWADGB-WBVHZDCISA-N 0 1 457.383 3.668 50 0 JHAAMN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5cnc[nH]5)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000037229870 569781762 /nfs/dbraw/zinc/78/17/62/569781762.db2.gz OTISSVUPJCZLPE-WMFJTBOFSA-N 0 1 496.652 3.724 50 0 JHAAMN COCCN1CCN(c2nc3nn(-c4cccc(C)c4)c(N)c3c(-c3cccc(Cl)c3)n2)CC1 ZINC000037360301 569784068 /nfs/dbraw/zinc/78/40/68/569784068.db2.gz SOUCEVHSOUWYQL-UHFFFAOYSA-N 0 1 478.000 3.795 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344299 569793773 /nfs/dbraw/zinc/79/37/73/569793773.db2.gz DXTOYFRFQKMZLK-FLFXDLLNSA-N 0 1 453.901 3.527 50 0 JHAAMN O=c1occ(CN2CCN(c3ccc(F)cc3)CC2)c([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101412442 569797289 /nfs/dbraw/zinc/79/72/89/569797289.db2.gz NVNUSXZBLFZYDO-NRFANRHFSA-N 0 1 463.553 3.796 50 0 JHAAMN O=c1occ(CN2CCN(c3ccc(F)cc3)CC2)c([O-])c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000101412442 569797290 /nfs/dbraw/zinc/79/72/90/569797290.db2.gz NVNUSXZBLFZYDO-NRFANRHFSA-N 0 1 463.553 3.796 50 0 JHAAMN COc1ccc(CN2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000101716030 569803360 /nfs/dbraw/zinc/80/33/60/569803360.db2.gz HHFNSLOYYKRFMZ-SANMLTNESA-N 0 1 469.585 3.730 50 0 JHAAMN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccccc1 ZINC000039733977 569811102 /nfs/dbraw/zinc/81/11/02/569811102.db2.gz FNYNBWRCQLEQND-LJQANCHMSA-N 0 1 459.612 3.938 50 0 JHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000102701296 569816203 /nfs/dbraw/zinc/81/62/03/569816203.db2.gz SGZMIGCRNWUUFO-WXFUMESZSA-N 0 1 460.486 3.764 50 0 JHAAMN CCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040151440 569819943 /nfs/dbraw/zinc/81/99/43/569819943.db2.gz MLAGHECGBBSGPT-OAHLLOKOSA-N 0 1 472.438 3.773 50 0 JHAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(=O)c2cnoc2C)c1 ZINC000040155205 569820708 /nfs/dbraw/zinc/82/07/08/569820708.db2.gz FWKUTWWAJVPNAB-UHFFFAOYSA-N 0 1 466.313 3.807 50 0 JHAAMN COc1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450402 569828352 /nfs/dbraw/zinc/82/83/52/569828352.db2.gz KKSKJCVNHUETOF-UHFFFAOYSA-N 0 1 451.342 3.558 50 0 JHAAMN CCOc1ccc(NS(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1 ZINC000040450624 569828741 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499.011 3.732 50 0 JHAAMN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000071961916 569699421 /nfs/dbraw/zinc/69/94/21/569699421.db2.gz WRTSWYWIRUTQSY-HXUWFJFHSA-N 0 1 464.397 3.533 50 0 JHAAMN Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1 ZINC000089639164 569719299 /nfs/dbraw/zinc/71/92/99/569719299.db2.gz BUWOUZLNRXJWFW-UHFFFAOYSA-N 0 1 452.941 3.956 50 0 JHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CCC(C)C)C1=O ZINC000095473506 569723806 /nfs/dbraw/zinc/72/38/06/569723806.db2.gz HBYGWGPPHDFGQR-XMMPIXPASA-N 0 1 456.510 3.518 50 0 JHAAMN O=C(NCCN1C(=O)SC(=Cc2ccc(Cl)cc2Cl)C1=O)c1ccc2[nH]nnc2c1 ZINC000096843424 569743501 /nfs/dbraw/zinc/74/35/01/569743501.db2.gz PMQFRROSGAFXJZ-LZYBPNLTSA-N 0 1 462.318 3.731 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\c2ccccc2)ccc1N1CCOCC1 ZINC000097986600 569748552 /nfs/dbraw/zinc/74/85/52/569748552.db2.gz HRPGPJQBRARAQB-KAMYIIQDSA-N 0 1 493.585 3.985 50 0 JHAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)c(OC)c2)C1 ZINC000036370386 569773384 /nfs/dbraw/zinc/77/33/84/569773384.db2.gz YEEAFOJBHJZCJG-QFBILLFUSA-N 0 1 474.583 3.577 50 0 JHAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC(F)(F)F ZINC000036575883 569776752 /nfs/dbraw/zinc/77/67/52/569776752.db2.gz JJMKZHGHCYFEMC-WIYYLYMNSA-N 0 1 488.466 3.750 50 0 JHAAMN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CCSC)N[C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000036579859 569776823 /nfs/dbraw/zinc/77/68/23/569776823.db2.gz BZOVMZCCFAAVFI-LTJFPGKXSA-N 0 1 475.998 3.875 50 0 JHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000036589959 569777092 /nfs/dbraw/zinc/77/70/92/569777092.db2.gz WEOLFPXAIWCHDD-JOCHJYFZSA-N 0 1 450.516 3.522 50 0 JHAAMN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000101629219 569802183 /nfs/dbraw/zinc/80/21/83/569802183.db2.gz XGQXQFJVNXBUAP-ROUUACIJSA-N 0 1 462.955 3.825 50 0 JHAAMN CN1CCC2(CC1)Nc1ccc(Br)cc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 ZINC000101892760 569807441 /nfs/dbraw/zinc/80/74/41/569807441.db2.gz CWBRLBQPPVBTNF-UHFFFAOYSA-N 0 1 456.319 3.678 50 0 JHAAMN C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000039577230 569810962 /nfs/dbraw/zinc/81/09/62/569810962.db2.gz IGRVQKYUOYSWCX-NWDGAFQWSA-N 0 1 459.351 3.788 50 0 JHAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450421 569828310 /nfs/dbraw/zinc/82/83/10/569828310.db2.gz KBNJJJFKTOFJTF-UHFFFAOYSA-N 0 1 493.379 3.726 50 0 JHAAMN O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000103016849 569831877 /nfs/dbraw/zinc/83/18/77/569831877.db2.gz JXYUNDORNGMXEL-HNRABGRISA-N 0 1 477.564 3.708 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318497 569851750 /nfs/dbraw/zinc/85/17/50/569851750.db2.gz DAMBAQUMKMOLNH-VWLOTQADSA-N 0 1 462.594 3.605 50 0 JHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCCN21 ZINC000107174774 569856322 /nfs/dbraw/zinc/85/63/22/569856322.db2.gz WTKCPNVPSAMAJS-GKAYAJSDSA-N 0 1 456.329 3.733 50 0 JHAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COC(C)C ZINC000169680128 569870196 /nfs/dbraw/zinc/87/01/96/569870196.db2.gz SOIGPWWEAMUFPE-FYYLOGMGSA-N 0 1 474.667 3.978 50 0 JHAAMN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc4nc(C)[nH]c4c3)[C@H]21 ZINC000217788167 569881640 /nfs/dbraw/zinc/88/16/40/569881640.db2.gz KTOJQBPMFODGGT-VWLOTQADSA-N 0 1 497.511 3.642 50 0 biogenic JHAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000245246815 570059112 /nfs/dbraw/zinc/05/91/12/570059112.db2.gz OVVDUZGLCBHRFU-BOCITWAFSA-N 0 1 491.469 3.873 50 0 JHAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000245247249 570059404 /nfs/dbraw/zinc/05/94/04/570059404.db2.gz SQQSONVXBXENPA-AVJFOWIRSA-N 0 1 457.917 3.508 50 0 JHAAMN Cc1cccc(O[C@@H](CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)C(=O)NCC2CC2)c1 ZINC000245279118 570061242 /nfs/dbraw/zinc/06/12/42/570061242.db2.gz DDDBOCODFKCZRH-BVAGGSTKSA-N 0 1 466.578 3.679 50 0 JHAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248268000 570077301 /nfs/dbraw/zinc/07/73/01/570077301.db2.gz YQDIDOVHOJBEOF-GQNXPXPTSA-N 0 1 476.964 3.583 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCCN21 ZINC000248343148 570078216 /nfs/dbraw/zinc/07/82/16/570078216.db2.gz ZVENPOCPTBEMON-XMODTWTHSA-N 0 1 469.463 3.753 50 0 JHAAMN COc1ccc(NC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253471547 570099438 /nfs/dbraw/zinc/09/94/38/570099438.db2.gz UZQKKPNTYLJURG-GOSISDBHSA-N 0 1 469.490 3.849 50 0 JHAAMN COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000263586004 570171446 /nfs/dbraw/zinc/17/14/46/570171446.db2.gz OWMVPTMESZCOFP-HFJWLAOPSA-N 0 1 479.485 3.730 50 0 biogenic JHAAMN O=C([O-])CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299772902 570175949 /nfs/dbraw/zinc/17/59/49/570175949.db2.gz BFSQCKUPKFCYPS-NZQKXSOJSA-N 0 1 476.543 3.978 50 0 JHAAMN O=C([O-])CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299772902 570175951 /nfs/dbraw/zinc/17/59/51/570175951.db2.gz BFSQCKUPKFCYPS-NZQKXSOJSA-N 0 1 476.543 3.978 50 0 JHAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(I)ccc1OC ZINC000001074810 194017781 /nfs/dbraw/zinc/01/77/81/194017781.db2.gz NPXIHALWOXAMLZ-SFHVURJKSA-N 0 1 478.286 3.628 50 0 JHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSC(=S)N(C)C3CCCCC3)cc2)n1 ZINC000001860063 194150742 /nfs/dbraw/zinc/15/07/42/194150742.db2.gz JXZZUIIVDWUKCO-UHFFFAOYSA-N 0 1 493.680 3.807 50 0 JHAAMN COc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2F)N2CCCC2)cc1 ZINC000003354871 194297528 /nfs/dbraw/zinc/29/75/28/194297528.db2.gz XSRUKFSSWRWBJD-IBGZPJMESA-N 0 1 451.336 3.929 50 0 JHAAMN COc1ccc2nc(S[C@@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3)[nH]c2c1 ZINC000009191758 194587088 /nfs/dbraw/zinc/58/70/88/194587088.db2.gz GZAAOFYXFBMJSR-HXUWFJFHSA-N 0 1 468.560 3.691 50 0 JHAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(F)cc3)[nH]c2=O)cc1 ZINC000009941129 195029491 /nfs/dbraw/zinc/02/94/91/195029491.db2.gz LBPBWKLCIFJBNS-UHFFFAOYSA-N 0 1 489.594 3.860 50 0 JHAAMN Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C)c(=O)c2ccccc12 ZINC000009942376 195029927 /nfs/dbraw/zinc/02/99/27/195029927.db2.gz FQNVCGJETZRJJR-UHFFFAOYSA-N 0 1 458.566 3.606 50 0 JHAAMN O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012605569 195050990 /nfs/dbraw/zinc/05/09/90/195050990.db2.gz NRXHTRRMVAKUMC-UHFFFAOYSA-N 0 1 461.348 3.866 50 0 JHAAMN CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(Oc3ccc(F)cc3)coc2c1C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000012652527 195076740 /nfs/dbraw/zinc/07/67/40/195076740.db2.gz ZYSKZUYOHVFAEE-GOSISDBHSA-N 0 1 499.447 3.624 50 0 biogenic JHAAMN CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(Oc3ccc(F)cc3)coc2c1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000012652527 195076742 /nfs/dbraw/zinc/07/67/42/195076742.db2.gz ZYSKZUYOHVFAEE-GOSISDBHSA-N 0 1 499.447 3.624 50 0 biogenic JHAAMN COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)N2CCCC2)cc1 ZINC000012683680 195085053 /nfs/dbraw/zinc/08/50/53/195085053.db2.gz VTYVJKAAAFTSIH-HSZRJFAPSA-N 0 1 492.041 3.700 50 0 JHAAMN Cc1ccc(-c2csc3ncn(CC(=O)NC[C@H](c4ccco4)N4CCCC4)c(=O)c23)cc1 ZINC000012683557 195085154 /nfs/dbraw/zinc/08/51/54/195085154.db2.gz BPIMOZOOARRQDT-HXUWFJFHSA-N 0 1 462.575 3.980 50 0 JHAAMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)cc2)cc1 ZINC000012734407 195100000 /nfs/dbraw/zinc/10/00/00/195100000.db2.gz AVXSZVFZDDCMJR-QHCPKHFHSA-N 0 1 451.592 3.699 50 0 JHAAMN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1cccs1 ZINC000012754272 195107844 /nfs/dbraw/zinc/10/78/44/195107844.db2.gz UNDHSEQHYJVHGJ-KRWDZBQOSA-N 0 1 489.585 3.587 50 0 JHAAMN Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000012768935 195116151 /nfs/dbraw/zinc/11/61/51/195116151.db2.gz GMPQILPCMKMGAD-QHCPKHFHSA-N 0 1 455.555 3.968 50 0 JHAAMN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3C=C12 ZINC000020612318 195185964 /nfs/dbraw/zinc/18/59/64/195185964.db2.gz APFKHXCMEWDFGX-GPDUQRLWSA-N 0 1 452.595 3.847 50 0 biogenic JHAAMN Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCCCC3)c(=O)c2c1 ZINC000020677656 195202604 /nfs/dbraw/zinc/20/26/04/195202604.db2.gz DDZHLAIMFQFRTM-UHFFFAOYSA-N 0 1 467.591 3.986 50 0 JHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000020744837 195214833 /nfs/dbraw/zinc/21/48/33/195214833.db2.gz WEOLFPXAIWCHDD-QFIPXVFZSA-N 0 1 450.516 3.522 50 0 JHAAMN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCN(C3CCCCC3)CC1)C2)c1cccc(F)c1 ZINC000020996259 195264673 /nfs/dbraw/zinc/26/46/73/195264673.db2.gz LBAMHTONWXSHJQ-KRWDZBQOSA-N 0 1 484.597 3.757 50 0 JHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3nnc(Cc4ccc5c(c4)OCO5)o3)c2)c1 ZINC000021358752 195298528 /nfs/dbraw/zinc/29/85/28/195298528.db2.gz SNCXFBIHTLEHPP-UHFFFAOYSA-N 0 1 495.513 3.874 50 0 JHAAMN O=C1CCCc2cc(S(=O)(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)ccc2N1 ZINC000021888111 195325400 /nfs/dbraw/zinc/32/54/00/195325400.db2.gz JDOGAHABXDBWKJ-UHFFFAOYSA-N 0 1 462.015 3.805 50 0 JHAAMN CCc1c(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)[nH]c(C)c1C(C)=O ZINC000059367923 195398263 /nfs/dbraw/zinc/39/82/63/195398263.db2.gz LASLSKWVQOJLHK-UHFFFAOYSA-N 0 1 471.535 3.855 50 0 JHAAMN CCOC(=O)c1cnn(-c2cccc(NS(=O)(=O)c3cc(OC)ccc3OC)c2)c1C(F)(F)F ZINC000062588337 195424805 /nfs/dbraw/zinc/42/48/05/195424805.db2.gz YOUGQGMWMXVVHI-UHFFFAOYSA-N 0 1 499.467 3.886 50 0 JHAAMN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324615 130070161 /nfs/dbraw/zinc/07/01/61/130070161.db2.gz JNXFCTOZISXEIS-UHFFFAOYSA-N 0 1 459.428 3.861 50 0 JHAAMN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCC3CCN(Cc4ccc(F)cc4)CC3)cc21 ZINC000064952297 519533112 /nfs/dbraw/zinc/53/31/12/519533112.db2.gz CCUBUAVJBHNSDB-UHFFFAOYSA-N 0 1 491.654 3.865 50 0 JHAAMN CCC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309586 520797415 /nfs/dbraw/zinc/79/74/15/520797415.db2.gz LEQMHXGNBDVRDC-OFNKIYASSA-N 0 1 478.630 3.892 50 0 JHAAMN CCCCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1 ZINC000045966940 520862241 /nfs/dbraw/zinc/86/22/41/520862241.db2.gz AJRPCHXPKLWVFX-UHFFFAOYSA-N 0 1 458.002 3.983 50 0 JHAAMN CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OCC)cc3)c(=O)[nH]2)cc1 ZINC000016840691 521067709 /nfs/dbraw/zinc/06/77/09/521067709.db2.gz RHZNAONTQSKDOO-UHFFFAOYSA-N 0 1 489.575 3.543 50 0 JHAAMN CCC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309584 521182346 /nfs/dbraw/zinc/18/23/46/521182346.db2.gz LEQMHXGNBDVRDC-REWPJTCUSA-N 0 1 478.630 3.892 50 0 JHAAMN CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034291 521410967 /nfs/dbraw/zinc/41/09/67/521410967.db2.gz UEIHATFMDAFSNS-UHFFFAOYSA-N 0 1 470.639 3.522 50 0 JHAAMN CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc1C ZINC000006146148 521615822 /nfs/dbraw/zinc/61/58/22/521615822.db2.gz BUIFXXIIPXCIHA-UHFFFAOYSA-N 0 1 459.549 3.990 50 0 JHAAMN CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)c(Cl)c2)c(=O)[nH]1 ZINC000012414587 521877789 /nfs/dbraw/zinc/87/77/89/521877789.db2.gz WNXNJVYIMQLLFA-UHFFFAOYSA-N 0 1 477.995 3.858 50 0 JHAAMN CCc1ccccc1NS(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1OC ZINC000033276590 521912380 /nfs/dbraw/zinc/91/23/80/521912380.db2.gz FIMYEGLVUPNAJN-UHFFFAOYSA-N 0 1 468.535 3.603 50 0 JHAAMN COc1cc(-c2noc([C@@H](NC[C@H](O)COCc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160482 521919480 /nfs/dbraw/zinc/91/94/80/521919480.db2.gz BVUFGUWYNWODKH-UGKGYDQZSA-N 0 1 471.554 3.627 50 0 JHAAMN COC(=O)c1ccc(Br)c(S(=O)(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)c1 ZINC000048366762 521942233 /nfs/dbraw/zinc/94/22/33/521942233.db2.gz YJYBAUYZWHQGAI-UHFFFAOYSA-N 0 1 478.324 3.964 50 0 JHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000016189147 522080869 /nfs/dbraw/zinc/08/08/69/522080869.db2.gz SUDITZFAHFLRNZ-UHFFFAOYSA-N 0 1 452.338 3.549 50 0 JHAAMN COc1cc(CNC(=O)CNC2(c3ccc(Br)cc3)CCC2)cc(OC)c1OC ZINC000048309646 522412716 /nfs/dbraw/zinc/41/27/16/522412716.db2.gz OZGAIOVHNJKWND-UHFFFAOYSA-N 0 1 463.372 3.760 50 0 JHAAMN COC(=O)C1=C(CNc2ccc(I)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000016447691 522890628 /nfs/dbraw/zinc/89/06/28/522890628.db2.gz MOSWWJGTVHGBKG-IBGZPJMESA-N 0 1 491.329 3.801 50 0 JHAAMN COCc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014984979 522897872 /nfs/dbraw/zinc/89/78/72/522897872.db2.gz BODLLJIMHFFOQW-HXUWFJFHSA-N 0 1 488.617 3.932 50 0 JHAAMN COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000033276602 523077336 /nfs/dbraw/zinc/07/73/36/523077336.db2.gz YHYKWLKHVNCHFC-UHFFFAOYSA-N 0 1 482.562 3.966 50 0 JHAAMN COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)Nc4cccnc4)c3)o2)cc1OC ZINC000064988066 523249496 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C[NH+](C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccccc1 ZINC000009790429 555509430 /nfs/dbraw/zinc/50/94/30/555509430.db2.gz JMFWYTXNSGEZSL-HSZRJFAPSA-N 0 1 495.601 3.681 50 0 JHAAMN O=C(Nc1nc(-c2ccc(F)cc2)n[nH]1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009835743 555540737 /nfs/dbraw/zinc/54/07/37/555540737.db2.gz WKNFWSBMXYYGMR-UHFFFAOYSA-N 0 1 463.494 3.615 50 0 JHAAMN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000009996072 555589591 /nfs/dbraw/zinc/58/95/91/555589591.db2.gz CRUCMOFVBXQTJB-VWNXMTODSA-N 0 1 469.607 3.689 50 0 JHAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc21 ZINC000010210846 555646092 /nfs/dbraw/zinc/64/60/92/555646092.db2.gz BIVRWRSRTGHEQH-UHFFFAOYSA-N 0 1 492.509 3.780 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc12 ZINC000020136127 555660413 /nfs/dbraw/zinc/66/04/13/555660413.db2.gz YPNSPMAWYDCFFB-JXHRLWIKSA-N 0 1 465.642 3.955 50 0 JHAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(F)c3)[nH]c2=O)cc1 ZINC000010272558 555666828 /nfs/dbraw/zinc/66/68/28/555666828.db2.gz FMTCWNLRBOKJPQ-UHFFFAOYSA-N 0 1 475.567 3.770 50 0 JHAAMN Cn1ccnc1SCCNC(=O)CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000020167020 555677738 /nfs/dbraw/zinc/67/77/38/555677738.db2.gz MUXVANUFWOTFCQ-QFIPXVFZSA-N 0 1 454.571 3.794 50 0 JHAAMN CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(F)c3)[nH]c2=O)cc1 ZINC000010433718 555708099 /nfs/dbraw/zinc/70/80/99/555708099.db2.gz TUAHYDWTRYTJQK-UHFFFAOYSA-N 0 1 461.540 3.596 50 0 JHAAMN CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1cccc(F)c1 ZINC000014182108 555724073 /nfs/dbraw/zinc/72/40/73/555724073.db2.gz QXAHRGXNTCFRJC-DEOSSOPVSA-N 0 1 467.566 3.610 50 0 JHAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)N1CCCC1 ZINC000014247146 555750945 /nfs/dbraw/zinc/75/09/45/555750945.db2.gz QOEIUOLAEVDDJX-RDPSFJRHSA-N 0 1 485.650 3.825 50 0 JHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NCc4ccccc4OC)c3=O)c2c1 ZINC000020330529 555775894 /nfs/dbraw/zinc/77/58/94/555775894.db2.gz IDRKEPSYTZBKII-UHFFFAOYSA-N 0 1 452.536 3.654 50 0 JHAAMN COc1ccc(CCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)cc1 ZINC000011695409 555802175 /nfs/dbraw/zinc/80/21/75/555802175.db2.gz BFVSTMUQDHIAAR-UHFFFAOYSA-N 0 1 483.532 3.904 50 0 JHAAMN CC[C@]1(C2CCN(Cc3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000011784063 555815547 /nfs/dbraw/zinc/81/55/47/555815547.db2.gz STOBSERJRRFETF-RUZDIDTESA-N 0 1 471.504 3.806 50 0 JHAAMN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014541208 555831627 /nfs/dbraw/zinc/83/16/27/555831627.db2.gz IWQKDAZIYIDTND-UHFFFAOYSA-N 0 1 493.633 3.569 50 0 JHAAMN Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(COc4ccc(Cl)cc4)nc3c12 ZINC000020590363 555837895 /nfs/dbraw/zinc/83/78/95/555837895.db2.gz BEPXOWBBONQEHM-UHFFFAOYSA-N 0 1 454.962 3.651 50 0 JHAAMN COC(=O)c1c(OCCc2cccs2)cc(=O)n2c1CCN(Cc1ccc3cccnc3c1)CC2 ZINC000020775281 555847767 /nfs/dbraw/zinc/84/77/67/555847767.db2.gz FSLIHKZTJSEFRF-UHFFFAOYSA-N 0 1 489.597 3.924 50 0 JHAAMN COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)c1 ZINC000012037541 555890682 /nfs/dbraw/zinc/89/06/82/555890682.db2.gz HBZZNXRROSHTQW-GMAHTHKFSA-N 0 1 491.632 3.646 50 0 JHAAMN C[C@@H]1N[C@@]2(c3ccccc3N(C/C=C\c3ccccc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015276254 555892046 /nfs/dbraw/zinc/89/20/46/555892046.db2.gz OURVWVSOGZDWRJ-FEDLBCIVSA-N 0 1 477.564 3.735 50 0 JHAAMN CCC[C@@]1(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012099991 555907519 /nfs/dbraw/zinc/90/75/19/555907519.db2.gz BBOISZLBFLPTFF-DEOSSOPVSA-N 0 1 471.627 3.780 50 0 JHAAMN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000012150924 555923488 /nfs/dbraw/zinc/92/34/88/555923488.db2.gz CHZGWHIYPIDZHT-IBVKSMDESA-N 0 1 478.524 3.766 50 0 JHAAMN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cnn(-c3ccccc3OC)c1)CC2 ZINC000012156792 555928695 /nfs/dbraw/zinc/92/86/95/555928695.db2.gz DISPJCUTWISQNI-HSZRJFAPSA-N 0 1 474.605 3.851 50 0 JHAAMN COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(OC)cc2)CC3)o1 ZINC000012190173 555937161 /nfs/dbraw/zinc/93/71/61/555937161.db2.gz SDWJKRFMLLRKJX-JOCHJYFZSA-N 0 1 481.597 3.602 50 0 JHAAMN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000012391339 555974700 /nfs/dbraw/zinc/97/47/00/555974700.db2.gz KLJCTPRPBOWZQG-DEOSSOPVSA-N 0 1 457.534 3.875 50 0 JHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2cc(F)cc3c2OCOC3)cc1 ZINC000012521164 555992370 /nfs/dbraw/zinc/99/23/70/555992370.db2.gz ZTAIGTDKQQZUSY-UHFFFAOYSA-N 0 1 473.478 3.859 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)[NH+](C)C)cc1 ZINC000012526229 555994446 /nfs/dbraw/zinc/99/44/46/555994446.db2.gz RWWBQPVABBVABB-DEOSSOPVSA-N 0 1 485.581 3.976 50 0 JHAAMN O=C(NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccco1 ZINC000023041641 556001349 /nfs/dbraw/zinc/00/13/49/556001349.db2.gz QLKKBAPLAGFQPT-UHFFFAOYSA-N 0 1 482.345 3.547 50 0 JHAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2=O)cc1 ZINC000023118978 556012545 /nfs/dbraw/zinc/01/25/45/556012545.db2.gz PAKZHJJHZZHTBK-UHFFFAOYSA-N 0 1 477.995 3.858 50 0 JHAAMN COc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4cc(OC)ccc4OC)cc3c2=O)cc1 ZINC000023143960 556022675 /nfs/dbraw/zinc/02/26/75/556022675.db2.gz QYUXSOVTPKNINY-UHFFFAOYSA-N 0 1 481.530 3.521 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c1 ZINC000012552207 556034955 /nfs/dbraw/zinc/03/49/55/556034955.db2.gz JJRJCNPMLUMNGC-RUZDIDTESA-N 0 1 495.601 3.818 50 0 JHAAMN CCN1CCN(c2ccccc2NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000012552731 556035888 /nfs/dbraw/zinc/03/58/88/556035888.db2.gz BSWIOMINBOKUPU-LJQANCHMSA-N 0 1 491.057 3.521 50 0 JHAAMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012557132 556044636 /nfs/dbraw/zinc/04/46/36/556044636.db2.gz FAQZFLNLCOMHCJ-QFIPXVFZSA-N 0 1 453.539 3.631 50 0 JHAAMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012557132 556044639 /nfs/dbraw/zinc/04/46/39/556044639.db2.gz FAQZFLNLCOMHCJ-QFIPXVFZSA-N 0 1 453.539 3.631 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000012560665 556053041 /nfs/dbraw/zinc/05/30/41/556053041.db2.gz YMGFYWXWRIKQEU-INIZCTEOSA-N 0 1 468.531 3.758 50 0 JHAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000015956716 556088725 /nfs/dbraw/zinc/08/87/25/556088725.db2.gz PUUVTTBZTROTSW-YXMNTCDSSA-N 0 1 489.531 3.713 50 0 biogenic JHAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968568 556094627 /nfs/dbraw/zinc/09/46/27/556094627.db2.gz YMHOBMDDUHXZBH-CHCBTGSZSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015971847 556097040 /nfs/dbraw/zinc/09/70/40/556097040.db2.gz FJNXKKSNEWSWGE-YTEUAAESSA-N 0 1 490.563 3.952 50 0 JHAAMN COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000012858085 556118755 /nfs/dbraw/zinc/11/87/55/556118755.db2.gz JFRLLLPJLSNFEU-LJQANCHMSA-N 0 1 477.970 3.775 50 0 JHAAMN CC(C)[C@@H](CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21)N1CCOCC1 ZINC000012943224 556155865 /nfs/dbraw/zinc/15/58/65/556155865.db2.gz DYZNQKDWRRTCPA-JOCHJYFZSA-N 0 1 481.666 3.959 50 0 JHAAMN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000012975157 556167204 /nfs/dbraw/zinc/16/72/04/556167204.db2.gz SHQSPODCOAIIQV-VXKWHMMOSA-N 0 1 485.650 3.509 50 0 JHAAMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3CC(=O)Nc4cc(C(F)(F)F)ccc43)n2)cc1 ZINC000016946048 556183185 /nfs/dbraw/zinc/18/31/85/556183185.db2.gz ALBULXPAHXTZRK-NSHDSACASA-N 0 1 477.468 3.965 50 0 JHAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000016956860 556187662 /nfs/dbraw/zinc/18/76/62/556187662.db2.gz MEKLBGGNMFECRK-OFVILXPXSA-N 0 1 466.969 3.554 50 0 JHAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000016956860 556187663 /nfs/dbraw/zinc/18/76/63/556187663.db2.gz MEKLBGGNMFECRK-OFVILXPXSA-N 0 1 466.969 3.554 50 0 JHAAMN COc1ccc(C=CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1OC ZINC000017011745 556201384 /nfs/dbraw/zinc/20/13/84/556201384.db2.gz FNSRAILXFXJMQH-BENRWUELSA-N 0 1 497.515 3.684 50 0 JHAAMN Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)n1 ZINC000017012781 556202667 /nfs/dbraw/zinc/20/26/67/556202667.db2.gz YUOCLBVOISKZCF-UHFFFAOYSA-N 0 1 479.606 3.688 50 0 JHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1 ZINC000017121352 556219583 /nfs/dbraw/zinc/21/95/83/556219583.db2.gz MSTCHOLKHRDTJJ-UHFFFAOYSA-N 0 1 457.644 3.718 50 0 JHAAMN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000013055687 556250095 /nfs/dbraw/zinc/25/00/95/556250095.db2.gz IBHOKPADIRHXJO-INIZCTEOSA-N 0 1 484.530 3.689 50 0 JHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000017702383 556263746 /nfs/dbraw/zinc/26/37/46/556263746.db2.gz IBFVBMLVDYEPED-OAQYLSRUSA-N 0 1 457.527 3.786 50 0 JHAAMN COc1cccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)[NH+](C)C)c1 ZINC000018017022 556276863 /nfs/dbraw/zinc/27/68/63/556276863.db2.gz KZHJPXJNBJMIQH-XMMPIXPASA-N 0 1 467.591 3.837 50 0 JHAAMN COc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000018053511 556280705 /nfs/dbraw/zinc/28/07/05/556280705.db2.gz CCASGPFFYFYQGO-JOCHJYFZSA-N 0 1 476.924 3.812 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(CNC(=O)NC(C)C)cc2)N2CCCCC2)cc1 ZINC000028081364 556315711 /nfs/dbraw/zinc/31/57/11/556315711.db2.gz ZHGXQGHPOXALLF-XMMPIXPASA-N 0 1 452.599 3.860 50 0 JHAAMN COc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000029854546 556359250 /nfs/dbraw/zinc/35/92/50/556359250.db2.gz DDVZTSMWPQAEKY-NRFANRHFSA-N 0 1 470.478 3.875 50 0 JHAAMN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000031807107 556405093 /nfs/dbraw/zinc/40/50/93/556405093.db2.gz DRXGISLOCZEWCZ-DEOSSOPVSA-N 0 1 480.952 3.783 50 0 JHAAMN CC(C)N(C(=O)[C@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000032774295 556490781 /nfs/dbraw/zinc/49/07/81/556490781.db2.gz FSURNJOHTUMFCB-INIZCTEOSA-N 0 1 450.532 3.817 50 0 JHAAMN O=C(Cn1cnc2c3ccccc3oc2c1=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000032819084 556503531 /nfs/dbraw/zinc/50/35/31/556503531.db2.gz JDZNCPCGFVWNGQ-LJQANCHMSA-N 0 1 450.926 3.749 50 0 JHAAMN C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000032913227 556537794 /nfs/dbraw/zinc/53/77/94/556537794.db2.gz CFAJZEHTRRZESK-QFIPXVFZSA-N 0 1 456.590 3.761 50 0 JHAAMN COc1cc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC ZINC000008683102 562951668 /nfs/dbraw/zinc/95/16/68/562951668.db2.gz VDDBKNSLUFDTGU-DHIUTWEWSA-N 0 1 472.497 3.774 50 0 JHAAMN O=C1N/C(=C/c2cc(Br)c(O)c(I)c2)C(=O)N1Cc1ccccc1 ZINC000008461788 569591792 /nfs/dbraw/zinc/59/17/92/569591792.db2.gz ULFUZZKHLQAQFX-RIYZIHGNSA-N 0 1 499.102 3.852 50 0 JHAAMN CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4ccccc4Cl)CC3)=C2C(=O)OC)cc1 ZINC000057415261 569600517 /nfs/dbraw/zinc/60/05/17/569600517.db2.gz ASHWDIHTFQBIDK-QHCPKHFHSA-N 0 1 468.985 3.506 50 0 JHAAMN COc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000062279574 569610531 /nfs/dbraw/zinc/61/05/31/569610531.db2.gz ONASUABPWMRBKL-QHCPKHFHSA-N 0 1 479.602 3.933 50 0 JHAAMN O=C([O-])c1cc(N2CC[NH+](Cc3ccccc3F)CC2)ccc1NS(=O)(=O)Cc1ccccc1 ZINC000033006989 569615076 /nfs/dbraw/zinc/61/50/76/569615076.db2.gz DSDOBQUDZGQBBD-UHFFFAOYSA-N 0 1 483.565 3.788 50 0 JHAAMN Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000063620102 569615703 /nfs/dbraw/zinc/61/57/03/569615703.db2.gz YBGNUWDFISWHPI-UHFFFAOYSA-N 0 1 483.565 3.955 50 0 JHAAMN COc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cc1Cl ZINC000064814605 569632294 /nfs/dbraw/zinc/63/22/94/569632294.db2.gz VEDQYPMCMYAJNB-UHFFFAOYSA-N 0 1 480.034 3.703 50 0 JHAAMN CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034830447 569663876 /nfs/dbraw/zinc/66/38/76/569663876.db2.gz PVMHVMUUFNLLIC-HSZRJFAPSA-N 0 1 457.615 3.942 50 0 JHAAMN CCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccc2c(c1)OCO2 ZINC000034836501 569665598 /nfs/dbraw/zinc/66/55/98/569665598.db2.gz GKHQXPBSANPNDE-UHFFFAOYSA-N 0 1 465.573 3.822 50 0 JHAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000065116226 569666460 /nfs/dbraw/zinc/66/64/60/569666460.db2.gz HKOMGIIOWZXLJX-UHFFFAOYSA-N 0 1 472.523 3.630 50 0 JHAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)sc2C)c1 ZINC000065116726 569666659 /nfs/dbraw/zinc/66/66/59/569666659.db2.gz PUBPWCZYTQUUSY-UHFFFAOYSA-N 0 1 474.564 3.736 50 0 JHAAMN COc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000035372783 569683270 /nfs/dbraw/zinc/68/32/70/569683270.db2.gz RDECNHQGIWLKDS-UHFFFAOYSA-N 0 1 458.534 3.968 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000035399170 569689702 /nfs/dbraw/zinc/68/97/02/569689702.db2.gz YXRWLFKYKJPMEJ-UHFFFAOYSA-N 0 1 485.606 3.568 50 0 JHAAMN COC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067689650 569689997 /nfs/dbraw/zinc/68/99/97/569689997.db2.gz IOOWBMCOQIXLSM-OAQYLSRUSA-N 0 1 475.376 3.597 50 0 JHAAMN COC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067689652 569690005 /nfs/dbraw/zinc/69/00/05/569690005.db2.gz AACWEBZSFFQLFQ-QFIPXVFZSA-N 0 1 489.403 3.905 50 0 JHAAMN C[C@@H](CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Br)c1)c1ccccc1 ZINC000035421902 569692413 /nfs/dbraw/zinc/69/24/13/569692413.db2.gz AOOBKFMUFSYAOR-SFHVURJKSA-N 0 1 458.400 3.517 50 0 JHAAMN COc1ccc(CN2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000070036484 569695021 /nfs/dbraw/zinc/69/50/21/569695021.db2.gz MRNHQKSZWLHNOH-JOCHJYFZSA-N 0 1 470.013 3.935 50 0 JHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2cccc3c2N(C1=O)C(C)(C)C[C@@H]3C ZINC000095474115 569724067 /nfs/dbraw/zinc/72/40/67/569724067.db2.gz ZODYCVNOWUEIQC-UOXLDJKESA-N 0 1 468.521 3.757 50 0 JHAAMN CCNC(=O)c1ccc(CSc2nc(COC)cc(N3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000036040903 569753501 /nfs/dbraw/zinc/75/35/01/569753501.db2.gz GIIPZHCMIRPBPJ-UHFFFAOYSA-N 0 1 481.622 3.580 50 0 JHAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000100164792 569754525 /nfs/dbraw/zinc/75/45/25/569754525.db2.gz CZDXXTVLUHOGFJ-ZSSMMQHUSA-N 0 1 469.516 3.755 50 0 JHAAMN CCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340058 569763636 /nfs/dbraw/zinc/76/36/36/569763636.db2.gz XTSCXLBFRBKKLF-RUZDIDTESA-N 0 1 490.648 3.709 50 0 JHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(OC)c1OC ZINC000101239831 569787919 /nfs/dbraw/zinc/78/79/19/569787919.db2.gz CPFPTKVDOSSGQS-IMSXRSKXSA-N 0 1 478.476 3.903 50 0 JHAAMN C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)cc2)CC1 ZINC000039746116 569811279 /nfs/dbraw/zinc/81/12/79/569811279.db2.gz GPKKCTLWUBGZSV-UHFFFAOYSA-N 0 1 486.544 3.770 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000102290094 569811976 /nfs/dbraw/zinc/81/19/76/569811976.db2.gz NYQRIIBVZOIWTG-BGYRXZFFSA-N 0 1 456.564 3.788 50 0 JHAAMN COc1cccc([C@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)N2CCCC2)c1 ZINC000040086474 569815843 /nfs/dbraw/zinc/81/58/43/569815843.db2.gz LRXFSSJQVGHFOE-NRFANRHFSA-N 0 1 470.371 3.605 50 0 JHAAMN CCOC(=O)C(=C([O-])CSc1nnc(-c2ccc(Cl)cc2)n1C)c1nc(C)cs1 ZINC000103034033 569832231 /nfs/dbraw/zinc/83/22/31/569832231.db2.gz PHOCMPPNCPMKDW-HNNXBMFYSA-N 0 1 450.973 3.909 50 0 JHAAMN Cc1cc2nc(COc3cc(C)ccc3NS(=O)(=O)c3ccc(Cl)cc3)cc(=O)n2o1 ZINC000046048036 569843141 /nfs/dbraw/zinc/84/31/41/569843141.db2.gz FHFZGYUPTXEGMN-UHFFFAOYSA-N 0 1 459.911 3.938 50 0 JHAAMN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc4nc(CN5CCOCC5)[nH]c4c3)c12 ZINC000048311386 569845678 /nfs/dbraw/zinc/84/56/78/569845678.db2.gz LUBCPTOHXXHTLT-UHFFFAOYSA-N 0 1 481.560 3.905 50 0 JHAAMN COc1cccc(CN(C[C@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000104983820 569848163 /nfs/dbraw/zinc/84/81/63/569848163.db2.gz FFABLSSPUXMNPR-RBBKRZOGSA-N 0 1 470.566 3.595 50 0 JHAAMN COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)CC2 ZINC000049586688 569849101 /nfs/dbraw/zinc/84/91/01/569849101.db2.gz KVFNXTACKHFLKO-AJABSLSHSA-N 0 1 455.595 3.908 50 0 biogenic JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@H](O)COC ZINC000105003231 569849312 /nfs/dbraw/zinc/84/93/12/569849312.db2.gz USIMAWVJMDFGEJ-GHTZIAJQSA-N 0 1 467.031 3.626 50 0 JHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000051316470 569850587 /nfs/dbraw/zinc/85/05/87/569850587.db2.gz MNBUEIMSHZCCEF-UHFFFAOYSA-N 0 1 465.535 3.555 50 0 JHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000051316514 569850612 /nfs/dbraw/zinc/85/06/12/569850612.db2.gz VRLMWYAPEABUFE-UHFFFAOYSA-N 0 1 453.499 3.686 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)NCc2ccccc2Cl)cc1Cl ZINC000051316638 569851021 /nfs/dbraw/zinc/85/10/21/569851021.db2.gz MSIUUVPOOAXFQW-UHFFFAOYSA-N 0 1 490.372 3.833 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000169681963 569870965 /nfs/dbraw/zinc/87/09/65/569870965.db2.gz IDJVGAWZGBXTDF-NFBKMPQASA-N 0 1 478.630 3.890 50 0 JHAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4C[C@H](C)C[C@H](C)[C@H]43)C2=O)cc1 ZINC000248134833 570075147 /nfs/dbraw/zinc/07/51/47/570075147.db2.gz MHYIXUUGVOGOGQ-RAOBKIGBSA-N 0 1 451.498 3.511 50 0 JHAAMN COC(=O)C[C@H](c1cccc(O)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000263586006 570171512 /nfs/dbraw/zinc/17/15/12/570171512.db2.gz OWMVPTMESZCOFP-WXTAPIANSA-N 0 1 479.485 3.730 50 0 biogenic JHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)n1 ZINC000001088659 194021810 /nfs/dbraw/zinc/02/18/10/194021810.db2.gz CKLMNEQKVCKMIB-UHFFFAOYSA-N 0 1 461.341 3.530 50 0 JHAAMN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCN(c2ccccc2F)CC1 ZINC000009089660 194524176 /nfs/dbraw/zinc/52/41/76/194524176.db2.gz FYLALNDCNJRWTI-UHFFFAOYSA-N 0 1 498.555 3.652 50 0 JHAAMN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3)c(=O)[nH]2)cc1Cl ZINC000009908990 195020093 /nfs/dbraw/zinc/02/00/93/195020093.db2.gz ZDPAORHWWPNQEV-UHFFFAOYSA-N 0 1 479.967 3.716 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000012599908 195045035 /nfs/dbraw/zinc/04/50/35/195045035.db2.gz MUYMZLMJXADPMO-OAHLLOKOSA-N 0 1 453.992 3.668 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000012608477 195052759 /nfs/dbraw/zinc/05/27/59/195052759.db2.gz CVJMDDAZMAHLLQ-NTCAYCPXSA-N 0 1 470.639 3.511 50 0 JHAAMN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012747015 195103161 /nfs/dbraw/zinc/10/31/61/195103161.db2.gz CKBKDYKIVFEXFS-UHFFFAOYSA-N 0 1 453.768 3.575 50 0 JHAAMN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000012774575 195119957 /nfs/dbraw/zinc/11/99/57/195119957.db2.gz CWFYJRVAGMELNX-OAQYLSRUSA-N 0 1 469.994 3.955 50 0 JHAAMN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c1 ZINC000012790880 195131936 /nfs/dbraw/zinc/13/19/36/195131936.db2.gz CMBUVMQYFBGFFL-XMMPIXPASA-N 0 1 473.639 3.683 50 0 JHAAMN CCOC(=O)C1CCN([C@@H](c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000020604676 195180510 /nfs/dbraw/zinc/18/05/10/195180510.db2.gz JGFQQJXIEAPMDD-DEOSSOPVSA-N 0 1 450.535 3.868 50 0 aggregator JHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(Cl)c1)NCc1ccccc1Cl ZINC000020663887 195197106 /nfs/dbraw/zinc/19/71/06/195197106.db2.gz GRIWAMPUKSQETF-UHFFFAOYSA-N 0 1 478.336 3.963 50 0 JHAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000020757172 195216380 /nfs/dbraw/zinc/21/63/80/195216380.db2.gz XAHYQSZXMCHSLW-KKPNIWNPSA-N 0 1 476.964 3.585 50 0 biogenic JHAAMN 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/nfs/dbraw/zinc/85/01/69/555850169.db2.gz STXYWUNMECGOMH-UHFFFAOYSA-N 0 1 457.559 3.692 50 0 JHAAMN COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Br)cc3)c2)c(OC)c1 ZINC000021931698 555857172 /nfs/dbraw/zinc/85/71/72/555857172.db2.gz IBAZHCOPGGWZFL-UHFFFAOYSA-N 0 1 492.351 3.914 50 0 JHAAMN COc1ccc(CN2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)cc1O ZINC000015074696 555871940 /nfs/dbraw/zinc/87/19/40/555871940.db2.gz NBLMHKWAEWIJMU-XMMPIXPASA-N 0 1 450.539 3.761 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(S[C@@H](C)C(=O)N3CCCC3)nc2c1 ZINC000015221330 555885184 /nfs/dbraw/zinc/88/51/84/555885184.db2.gz PLSFOLMLPFIWOB-AWEZNQCLSA-N 0 1 461.565 3.740 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)c2cccc(I)c2)N2CCCC2)cc1 ZINC000015647199 555921922 /nfs/dbraw/zinc/92/19/22/555921922.db2.gz KGSKKNDAVLNOQE-LJQANCHMSA-N 0 1 450.320 3.867 50 0 JHAAMN O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CCN(Cc4ccccc4F)CC3)ccc2o1 ZINC000012191315 555938769 /nfs/dbraw/zinc/93/87/69/555938769.db2.gz GCQALUIUQPYWRH-OAQYLSRUSA-N 0 1 452.526 3.964 50 0 JHAAMN CCn1cc(CN2CCC([C@]3(Cc4cccc(F)c4)NC(=O)N(CC(C)C)C3=O)CC2)c(C)n1 ZINC000012195977 555941999 /nfs/dbraw/zinc/94/19/99/555941999.db2.gz IWKSLEYKHDVVFX-SANMLTNESA-N 0 1 469.605 3.752 50 0 JHAAMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000015680715 555949075 /nfs/dbraw/zinc/94/90/75/555949075.db2.gz YGWVMLSVZJOZSL-UHFFFAOYSA-N 0 1 457.303 3.577 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000022909915 555967034 /nfs/dbraw/zinc/96/70/34/555967034.db2.gz QZWFXRVZTROYNZ-SANMLTNESA-N 0 1 476.621 3.716 50 0 JHAAMN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022917415 555970998 /nfs/dbraw/zinc/97/09/98/555970998.db2.gz ZZWHYYSBDWLEBH-UHFFFAOYSA-N 0 1 474.580 3.630 50 0 JHAAMN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(=O)n(-c5ccc(Cl)cc5)n4)CC3)n[nH]2)cc1 ZINC000015730198 555971893 /nfs/dbraw/zinc/97/18/93/555971893.db2.gz QJEFJHNBUCYNFS-UHFFFAOYSA-N 0 1 488.979 3.801 50 0 JHAAMN C[C@H]1CSc2ccc(S(=O)(=O)NCC3CCN(Cc4ccc(F)cc4)CC3)cc2NC1=O ZINC000015731189 555973907 /nfs/dbraw/zinc/97/39/07/555973907.db2.gz HFXBDCJJNUSUIY-INIZCTEOSA-N 0 1 477.627 3.697 50 0 JHAAMN COc1ccccc1CN(C1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000015731224 555974423 /nfs/dbraw/zinc/97/44/23/555974423.db2.gz ICHUYQSTGNTGOG-QGZVFWFLSA-N 0 1 489.663 3.661 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c2)cc1 ZINC000012521199 555992858 /nfs/dbraw/zinc/99/28/58/555992858.db2.gz KOPSUWTXEASWLV-QHCPKHFHSA-N 0 1 471.554 3.668 50 0 JHAAMN COc1ccc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000022972830 555994488 /nfs/dbraw/zinc/99/44/88/555994488.db2.gz AHPDPILTIXDCEF-VWLOTQADSA-N 0 1 455.558 3.734 50 0 JHAAMN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc21 ZINC000015781433 556000411 /nfs/dbraw/zinc/00/04/11/556000411.db2.gz OVVHKCIVCGZVSE-UHFFFAOYSA-N 0 1 458.989 3.642 50 0 JHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000012542116 556017153 /nfs/dbraw/zinc/01/71/53/556017153.db2.gz IONZFMIOUZTZCP-UHFFFAOYSA-N 0 1 498.693 3.910 50 0 JHAAMN CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1 ZINC000023134463 556020360 /nfs/dbraw/zinc/02/03/60/556020360.db2.gz JFIWEAFXQZXKIK-UHFFFAOYSA-N 0 1 490.629 3.832 50 0 JHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2N2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012558198 556047120 /nfs/dbraw/zinc/04/71/20/556047120.db2.gz FDAKZYQYGZRCKC-SANMLTNESA-N 0 1 492.620 3.989 50 0 JHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015959324 556090991 /nfs/dbraw/zinc/09/09/91/556090991.db2.gz JIKUHQOEAPZIEI-QUIZSENMSA-N 0 1 496.954 3.989 50 0 biogenic JHAAMN Cc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967693 556094112 /nfs/dbraw/zinc/09/41/12/556094112.db2.gz OPXHLGNYZGUKKP-GBXYDCMPSA-N 0 1 476.536 3.644 50 0 biogenic JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015971657 556096732 /nfs/dbraw/zinc/09/67/32/556096732.db2.gz KNWXXYNKIWCVMG-JLMYGFKKSA-N 0 1 476.536 3.644 50 0 JHAAMN CC(=O)[C@@H]1C(=C(O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000016007397 556107794 /nfs/dbraw/zinc/10/77/94/556107794.db2.gz RJYNYXRVPJSOJH-ZOJNDGCKSA-N 0 1 453.473 3.783 50 0 JHAAMN COc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000023968320 556108678 /nfs/dbraw/zinc/10/86/78/556108678.db2.gz UAZYJZLLNIKDFY-UHFFFAOYSA-N 0 1 470.526 3.883 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012372 556111330 /nfs/dbraw/zinc/11/13/30/556111330.db2.gz BXGDDWKZSYHEGU-CMCWBKRRSA-N 0 1 470.356 3.987 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016033892 556118014 /nfs/dbraw/zinc/11/80/14/556118014.db2.gz YTORPUMGLRVFHN-UAKAABGRSA-N 0 1 469.463 3.699 50 0 JHAAMN COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024652069 556143946 /nfs/dbraw/zinc/14/39/46/556143946.db2.gz BESTWVASJGYWNB-UHFFFAOYSA-N 0 1 451.596 3.919 50 0 JHAAMN Cc1ccc(N2C(=O)N(CC(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)C(=O)[C@@H]2C)cc1 ZINC000012998801 556191314 /nfs/dbraw/zinc/19/13/14/556191314.db2.gz MASAUPFWIJNRDW-PGRDOPGGSA-N 0 1 468.985 3.759 50 0 JHAAMN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1 ZINC000017135716 556222606 /nfs/dbraw/zinc/22/26/06/556222606.db2.gz GYMVJYROHDVJAD-UHFFFAOYSA-N 0 1 459.535 3.875 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](C)N3CCc4ccccc4C3)cc2)cc1 ZINC000025636748 556228058 /nfs/dbraw/zinc/22/80/58/556228058.db2.gz SUAXHUMEZZKYEU-IBGZPJMESA-N 0 1 479.602 3.673 50 0 JHAAMN COc1ccc([C@@H](CNC(=O)CSc2nnc(-c3ccoc3C)n2C)N2CCCCC2)cc1 ZINC000025898847 556238345 /nfs/dbraw/zinc/23/83/45/556238345.db2.gz HNAVFVFMYVWHJR-OAQYLSRUSA-N 0 1 469.611 3.828 50 0 JHAAMN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000013055685 556250076 /nfs/dbraw/zinc/25/00/76/556250076.db2.gz IBHOKPADIRHXJO-MRXNPFEDSA-N 0 1 484.530 3.689 50 0 JHAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(F)c3)[nH]c2=O)cc1 ZINC000017308146 556255957 /nfs/dbraw/zinc/25/59/57/556255957.db2.gz BGKWZHVNJKJUSZ-UHFFFAOYSA-N 0 1 477.539 3.592 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)[NH+](C)C)cc1 ZINC000017913411 556271447 /nfs/dbraw/zinc/27/14/47/556271447.db2.gz UHODCYNSYCUSQB-QHCPKHFHSA-N 0 1 471.554 3.668 50 0 JHAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000027507854 556281989 /nfs/dbraw/zinc/28/19/89/556281989.db2.gz CZKKJEHVLMXQMQ-IBGZPJMESA-N 0 1 454.552 3.953 50 0 JHAAMN COc1cc(OC)c([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018189360 556300629 /nfs/dbraw/zinc/30/06/29/556300629.db2.gz RHPRQVORZDVIRZ-SMIHKQSGSA-N 0 1 478.476 3.903 50 0 JHAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccc3c(c2)OCO3)ccc1O ZINC000027663947 556302961 /nfs/dbraw/zinc/30/29/61/556302961.db2.gz WKVAKIGFUWXURL-RUZDIDTESA-N 0 1 471.469 3.971 50 0 JHAAMN NC(=O)COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000027664562 556303559 /nfs/dbraw/zinc/30/35/59/556303559.db2.gz XJQMAJCOUSYIIF-VWLOTQADSA-N 0 1 472.476 3.531 50 0 JHAAMN COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CCN(Cc1ccc(C)c(C)c1)CC2 ZINC000019740370 556364067 /nfs/dbraw/zinc/36/40/67/556364067.db2.gz AAAZJUSBAJVANU-FQEVSTJZSA-N 0 1 463.578 3.958 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c2)cc1 ZINC000032721283 556474939 /nfs/dbraw/zinc/47/49/39/556474939.db2.gz UURBUYNHIRKIPT-DEOSSOPVSA-N 0 1 485.581 3.976 50 0 JHAAMN CN(C)CC(=O)N1CCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000032823954 556504439 /nfs/dbraw/zinc/50/44/39/556504439.db2.gz DOGMSDZFMWAMCW-UHFFFAOYSA-N 0 1 478.666 3.554 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(COC(=O)c3ccc(C=O)cc3)nc2c1 ZINC000006181557 569588754 /nfs/dbraw/zinc/58/87/54/569588754.db2.gz ZVNVDOQJBQKOMA-UHFFFAOYSA-N 0 1 465.487 3.542 50 0 JHAAMN CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2)cc1 ZINC000006296658 569589014 /nfs/dbraw/zinc/58/90/14/569589014.db2.gz KWHAFFUMWMLEGF-UHFFFAOYSA-N 0 1 483.590 3.814 50 0 JHAAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(Cc3c(F)cccc3F)C2)cc1 ZINC000055132007 569590931 /nfs/dbraw/zinc/59/09/31/569590931.db2.gz KCFPOPIGNUVDDA-YKSBVNFPSA-N 0 1 475.605 3.873 50 0 JHAAMN CC(C)[C@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccc2c(c1)OCCCO2 ZINC000057303691 569596130 /nfs/dbraw/zinc/59/61/30/569596130.db2.gz WQXDVRPPRKLXGI-QFIPXVFZSA-N 0 1 457.596 3.813 50 0 JHAAMN CCOc1ccc([C@@H]2NC(=O)N=C(CN3CCC(Cc4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415333 569600578 /nfs/dbraw/zinc/60/05/78/569600578.db2.gz HGRIDEDEGGMPFX-VWLOTQADSA-N 0 1 463.578 3.821 50 0 JHAAMN CCOc1ccc([C@@H]2NC(=O)NC(CN3CCC(Cc4ccccc4)CC3)=C2C(=O)OC)cc1 ZINC000057415333 569600580 /nfs/dbraw/zinc/60/05/80/569600580.db2.gz HGRIDEDEGGMPFX-VWLOTQADSA-N 0 1 463.578 3.821 50 0 JHAAMN CCOc1ccccc1[C@@H]1NC(=O)N=C(CN2CCC(Cc3ccccc3)CC2)C1C(=O)OC ZINC000057415683 569601021 /nfs/dbraw/zinc/60/10/21/569601021.db2.gz ZBOUDLMUXVXHJD-VWLOTQADSA-N 0 1 463.578 3.821 50 0 JHAAMN O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)N1CCN(C2CCCCC2)CC1 ZINC000032987151 569609238 /nfs/dbraw/zinc/60/92/38/569609238.db2.gz QBWUCEDBNLHHDB-UHFFFAOYSA-N 0 1 477.631 3.640 50 0 JHAAMN Cn1c2c(C(=O)Nc3cccc(Br)c3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836035 569636700 /nfs/dbraw/zinc/63/67/00/569636700.db2.gz LDXIHEGZEUGCHW-UHFFFAOYSA-N 0 1 492.377 3.606 50 0 JHAAMN Cn1c2c(C(=O)Nc3ccc(F)cc3Cl)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836139 569636776 /nfs/dbraw/zinc/63/67/76/569636776.db2.gz ASNHRCROXHKTRJ-UHFFFAOYSA-N 0 1 465.916 3.636 50 0 JHAAMN O=C(NCCN(CCc1ccccc1)Cc1ccco1)c1cccc(-n2nnc3cccnc32)c1 ZINC000064925472 569646514 /nfs/dbraw/zinc/64/65/14/569646514.db2.gz LCTCZYSYNXQTJO-UHFFFAOYSA-N 0 1 466.545 3.883 50 0 JHAAMN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cc(C)cc(C)c4)c(Cl)cc32)no1 ZINC000065022501 569649123 /nfs/dbraw/zinc/64/91/23/569649123.db2.gz SXNHTKLBHGUTJK-UHFFFAOYSA-N 0 1 476.942 3.629 50 0 JHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccnc3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035893 569652743 /nfs/dbraw/zinc/65/27/43/569652743.db2.gz VWKOWTAJQACXJT-UHFFFAOYSA-N 0 1 459.597 3.587 50 0 JHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccnc3)c(C)n2C)sc1C(=O)N1CCC(C)CC1 ZINC000065036165 569653125 /nfs/dbraw/zinc/65/31/25/569653125.db2.gz IYXKULUMUNZOBM-UHFFFAOYSA-N 0 1 473.624 3.833 50 0 JHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(F)c3)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036400 569653305 /nfs/dbraw/zinc/65/33/05/569653305.db2.gz CVTKUMFLXIPSFX-UHFFFAOYSA-N 0 1 462.572 3.941 50 0 JHAAMN CCOC(=O)C1C(CN2CCC(NC(=O)OC(C)(C)C)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205084 569677791 /nfs/dbraw/zinc/67/77/91/569677791.db2.gz 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Cc1nc([C@@H](NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)c2ccccc2)n[nH]1 ZINC000069432578 569693031 /nfs/dbraw/zinc/69/30/31/569693031.db2.gz HHODWONPDJYGRL-IBGZPJMESA-N 0 1 453.959 3.654 50 0 JHAAMN CCN1CCN(c2ncnc3sc(C(=O)NCCc4c[nH]c5ccc(OC)cc45)c(C)c32)CC1 ZINC000035428624 569694697 /nfs/dbraw/zinc/69/46/97/569694697.db2.gz QCGOTHPZMNVQKU-UHFFFAOYSA-N 0 1 478.622 3.604 50 0 JHAAMN CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(N)=O)cc2)cc1 ZINC000071328653 569696909 /nfs/dbraw/zinc/69/69/09/569696909.db2.gz CVMQEQQSSSSECL-NRFANRHFSA-N 0 1 478.526 3.516 50 0 JHAAMN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]23)cc1 ZINC000035870523 569718339 /nfs/dbraw/zinc/71/83/39/569718339.db2.gz KEERVWJSZWWNPK-IXCJQBJRSA-N 0 1 455.602 3.917 50 0 JHAAMN CCCN1C(=O)N(CCC)C(=O)C2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O ZINC000035877186 569719763 /nfs/dbraw/zinc/71/97/63/569719763.db2.gz FDZVNLPKYWINNK-DEOSSOPVSA-N 0 1 474.605 3.531 50 0 JHAAMN CCN1CCN(c2cc(C)nc(SCc3cccc(C(=O)NCc4cccnc4)c3)n2)CC1 ZINC000095925544 569730215 /nfs/dbraw/zinc/73/02/15/569730215.db2.gz CNROYLIKKJRUOS-UHFFFAOYSA-N 0 1 462.623 3.544 50 0 JHAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000096562020 569741093 /nfs/dbraw/zinc/74/10/93/569741093.db2.gz QTRYFTRMCOVMCP-AREMUKBSSA-N 0 1 453.586 3.764 50 0 JHAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCC4CC4)o3)n2)CC1 ZINC000036029932 569751325 /nfs/dbraw/zinc/75/13/25/569751325.db2.gz JGGGOKIJCJIVIW-UHFFFAOYSA-N 0 1 457.644 3.941 50 0 JHAAMN COCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C[C@H](O)COCc1ccccc1 ZINC000036249933 569758160 /nfs/dbraw/zinc/75/81/60/569758160.db2.gz MOPPMQJMGXLSTR-DEOSSOPVSA-N 0 1 497.661 3.921 50 0 JHAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl ZINC000036575692 569776686 /nfs/dbraw/zinc/77/66/86/569776686.db2.gz NRTCVGRJOWADGB-NVXWUHKLSA-N 0 1 457.383 3.668 50 0 JHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344196 569766935 /nfs/dbraw/zinc/76/69/35/569766935.db2.gz 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3.626 50 0 JHAAMN COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C(=O)[C@H]23)c1 ZINC000101284811 569789157 /nfs/dbraw/zinc/78/91/57/569789157.db2.gz JKERCTWJTQUDMW-WBVHZDCISA-N 0 1 454.788 3.669 50 0 JHAAMN O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000101374933 569795017 /nfs/dbraw/zinc/79/50/17/569795017.db2.gz SOEFBQYJYOFPRW-UHFFFAOYSA-N 0 1 480.008 3.875 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000101629155 569802078 /nfs/dbraw/zinc/80/20/78/569802078.db2.gz HMJKZZGUZISHIX-HDICACEKSA-N 0 1 460.527 3.619 50 0 JHAAMN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000102290279 569812148 /nfs/dbraw/zinc/81/21/48/569812148.db2.gz GJEKTXPLUUZYTO-IYBDPMFKSA-N 0 1 480.945 3.964 50 0 JHAAMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000040135647 569817412 /nfs/dbraw/zinc/81/74/12/569817412.db2.gz QRDRTQHXHFFKMZ-HXUWFJFHSA-N 0 1 460.578 3.873 50 0 JHAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)c(OC)c1OC ZINC000102765062 569822909 /nfs/dbraw/zinc/82/29/09/569822909.db2.gz NSOLINBOXUOZHN-PQNGQFLHSA-N 0 1 478.476 3.903 50 0 JHAAMN CCn1c(=O)sc2cc(NS(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)ccc21 ZINC000040451170 569829371 /nfs/dbraw/zinc/82/93/71/569829371.db2.gz GDWVNJQCLDIEFK-UHFFFAOYSA-N 0 1 496.408 3.555 50 0 JHAAMN CCOc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316779 569851120 /nfs/dbraw/zinc/85/11/20/569851120.db2.gz TYLKAAPYZUHPBM-UHFFFAOYSA-N 0 1 457.462 3.517 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(F)cc2F)cc1Cl ZINC000051316599 569851210 /nfs/dbraw/zinc/85/12/10/569851210.db2.gz PSPJHRWZPJVRKR-UHFFFAOYSA-N 0 1 477.880 3.780 50 0 JHAAMN COC(=O)C1=C(CN2CCN(c3cc(Cl)ccc3C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318411 569851753 /nfs/dbraw/zinc/85/17/53/569851753.db2.gz QUUALNLSZASTJC-QHCPKHFHSA-N 0 1 468.985 3.560 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cc(Cl)ccc3C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318505 569851758 /nfs/dbraw/zinc/85/17/58/569851758.db2.gz NCGJCNHSYOGNDN-XMMPIXPASA-N 0 1 483.012 3.950 50 0 JHAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COC(C)C ZINC000169677935 569869013 /nfs/dbraw/zinc/86/90/13/569869013.db2.gz IAPHRFVREFQWFG-IFMALSPDSA-N 0 1 460.640 3.669 50 0 JHAAMN COCCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169678936 569869410 /nfs/dbraw/zinc/86/94/10/569869410.db2.gz ZVOBCXGXGRHSIF-GMAHTHKFSA-N 0 1 461.528 3.721 50 0 JHAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc(Cl)cc2c1OCOC2 ZINC000218075031 569882678 /nfs/dbraw/zinc/88/26/78/569882678.db2.gz SNKNCKUHYXMGLI-ZDUSSCGKSA-N 0 1 456.834 3.971 50 0 biogenic JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000245309432 570063052 /nfs/dbraw/zinc/06/30/52/570063052.db2.gz CTJUCMWBVGATGH-XYQHTRRXSA-N 0 1 479.964 3.503 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000245309432 570063053 /nfs/dbraw/zinc/06/30/53/570063053.db2.gz CTJUCMWBVGATGH-XYQHTRRXSA-N 0 1 479.964 3.503 50 0 JHAAMN O=C1[C@@H]2[C@@H]3CCCN3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000247803818 570069490 /nfs/dbraw/zinc/06/94/90/570069490.db2.gz HJRPWMQCDYZUOL-GYKHTSFTSA-N 0 1 463.537 3.713 50 0 JHAAMN Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000248340554 570078097 /nfs/dbraw/zinc/07/80/97/570078097.db2.gz UWFRZUWQZYUDEX-ORQYLMBXSA-N 0 1 456.329 3.733 50 0 JHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000248343147 570078248 /nfs/dbraw/zinc/07/82/48/570078248.db2.gz ZVENPOCPTBEMON-GSRZOBFVSA-N 0 1 469.463 3.753 50 0 JHAAMN COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)c3ccccc3c(O)c12 ZINC000252494995 570082139 /nfs/dbraw/zinc/08/21/39/570082139.db2.gz OKEAVKXCBCXNTC-VLWYHKLTSA-N 0 1 469.537 3.882 50 0 JHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000252517926 570083009 /nfs/dbraw/zinc/08/30/09/570083009.db2.gz VGEHIZAWOWIWDW-GKAYAJSDSA-N 0 1 456.329 3.733 50 0 JHAAMN COc1cc([C@@H](CC(=O)NCCc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc(OC)c1OC ZINC000253471722 570099441 /nfs/dbraw/zinc/09/94/41/570099441.db2.gz XZAXWCWZHOTTMV-LJQANCHMSA-N 0 1 485.508 3.700 50 0 JHAAMN O=C([O-])CC[C@H]1C[N@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000299775395 570176110 /nfs/dbraw/zinc/17/61/10/570176110.db2.gz FDYGKWXOWVYQPM-WIOPSUGQSA-N 0 1 451.586 3.670 50 0 JHAAMN COC(=O)[C@@H](C)Sc1nc2cc(OC)c(OC)cc2c2nc(O)c(CC3CCCCC3)n21 ZINC000001394616 194114558 /nfs/dbraw/zinc/11/45/58/194114558.db2.gz CPVRMDIAWSEXJL-CXAGYDPISA-N 0 1 459.568 3.927 50 0 JHAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCN(c2ccccc2)CC1 ZINC000002973772 194190066 /nfs/dbraw/zinc/19/00/66/194190066.db2.gz CEMHQPKHFBOQRE-UHFFFAOYSA-N 0 1 487.423 3.951 50 0 JHAAMN Cc1sc2nc3c(C(=O)N4CCCC4)cc(C(=O)c4cc(F)ccc4O)cn3c(=O)c2c1C ZINC000003382854 194309799 /nfs/dbraw/zinc/30/97/99/194309799.db2.gz JRRMYWXGWXBWLW-UHFFFAOYSA-N 0 1 465.506 3.838 50 0 JHAAMN Cc1[nH]c(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc1Cc1ccccc1 ZINC000009946863 195030803 /nfs/dbraw/zinc/03/08/03/195030803.db2.gz GBWCPHZTYSUAQX-ZDUSSCGKSA-N 0 1 462.497 3.962 50 0 JHAAMN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1ccc(C)cc1C ZINC000012604797 195049892 /nfs/dbraw/zinc/04/98/92/195049892.db2.gz YJBMVSYCSPGVBQ-UHFFFAOYSA-N 0 1 452.598 3.678 50 0 JHAAMN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000012605796 195051368 /nfs/dbraw/zinc/05/13/68/195051368.db2.gz AHWBDSVHEBWHBG-UHFFFAOYSA-N 0 1 468.906 3.944 50 0 JHAAMN CC[C@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)CCO1 ZINC000012630995 195063200 /nfs/dbraw/zinc/06/32/00/195063200.db2.gz GYZMBRZRTNHAAW-KRWDZBQOSA-N 0 1 483.384 3.510 50 0 JHAAMN COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]31)CC2 ZINC000012659817 195079671 /nfs/dbraw/zinc/07/96/71/195079671.db2.gz KVFNXTACKHFLKO-RQMZEXTKSA-N 0 1 455.595 3.908 50 0 biogenic JHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000012680431 195084091 /nfs/dbraw/zinc/08/40/91/195084091.db2.gz CRYQQKCEHOBHQR-NRFANRHFSA-N 0 1 457.527 3.786 50 0 JHAAMN CCOc1cc2c(cc1CNCc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)O[C@@H](C)C2 ZINC000012690772 195088083 /nfs/dbraw/zinc/08/80/83/195088083.db2.gz KAAXIMSLPKXLMR-ZWKOTPCHSA-N 0 1 456.583 3.953 50 0 JHAAMN CC(C)[NH+]1CCC(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)CC1 ZINC000012755794 195108505 /nfs/dbraw/zinc/10/85/05/195108505.db2.gz YIPUKCUOOJTZOB-UHFFFAOYSA-N 0 1 480.428 3.853 50 0 JHAAMN C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000012768906 195116127 /nfs/dbraw/zinc/11/61/27/195116127.db2.gz GEHMGJBOXKATRH-LBPRGKRZSA-N 0 1 472.036 3.560 50 0 JHAAMN C[C@H](Sc1n[nH]c(CC2CCCC2)n1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000012768906 195116129 /nfs/dbraw/zinc/11/61/29/195116129.db2.gz GEHMGJBOXKATRH-LBPRGKRZSA-N 0 1 472.036 3.560 50 0 JHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 ZINC000012797424 195136966 /nfs/dbraw/zinc/13/69/66/195136966.db2.gz KXHHJWPWOLVXCR-UHFFFAOYSA-N 0 1 452.536 3.570 50 0 JHAAMN CCOC(=O)C1C(COC(=O)C=Cc2ccccc2OC(F)F)=NC(=O)N[C@@H]1c1ccccc1 ZINC000012903474 195178291 /nfs/dbraw/zinc/17/82/91/195178291.db2.gz METLQHKQRGBGLB-JNCYCUAHSA-N 0 1 472.444 3.716 50 0 JHAAMN COCCn1c(C)cc(O)c([C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000020604628 195180588 /nfs/dbraw/zinc/18/05/88/195180588.db2.gz IWDCUPAFOJPSBW-RUZDIDTESA-N 0 1 451.542 3.559 50 0 JHAAMN COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020766722 195222075 /nfs/dbraw/zinc/22/20/75/195222075.db2.gz ZYGYCMUYEJACGI-UHFFFAOYSA-N 0 1 470.573 3.980 50 0 JHAAMN COc1ccc(-n2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c3ccccc3c2=O)cc1 ZINC000020904493 195244880 /nfs/dbraw/zinc/24/48/80/195244880.db2.gz JBSUJACXNVDDDK-UHFFFAOYSA-N 0 1 496.611 3.547 50 0 JHAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)N[C@H]2CCOC(C)(C)C2)CC1 ZINC000020912553 195246174 /nfs/dbraw/zinc/24/61/74/195246174.db2.gz FFDMZOWCGNYLDB-DEOSSOPVSA-N 0 1 469.601 3.693 50 0 JHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)n1C ZINC000020989837 195261817 /nfs/dbraw/zinc/26/18/17/195261817.db2.gz MRQRJPXSSWYCIU-UHFFFAOYSA-N 0 1 459.490 3.967 50 0 JHAAMN O=C(COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1)NCCc1ccccn1 ZINC000020995881 195264600 /nfs/dbraw/zinc/26/46/00/195264600.db2.gz FVBMPPBRQDZKNI-UHFFFAOYSA-N 0 1 479.584 3.835 50 0 JHAAMN CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]2)cc1 ZINC000021089302 195274142 /nfs/dbraw/zinc/27/41/42/195274142.db2.gz FECXDBSGDHGOSO-UHFFFAOYSA-N 0 1 477.995 3.858 50 0 JHAAMN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000058355740 195378260 /nfs/dbraw/zinc/37/82/60/195378260.db2.gz LNNMCMNLFSNRRC-PMACEKPBSA-N 0 1 459.974 3.890 50 0 JHAAMN CN1c2cc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N2CCCC[C@H]2C1=O ZINC000021938594 195337792 /nfs/dbraw/zinc/33/77/92/195337792.db2.gz SUSGUQSVCZVPMC-DEOSSOPVSA-N 0 1 496.055 3.617 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478485 195343747 /nfs/dbraw/zinc/34/37/47/195343747.db2.gz FJZIOEDEVDSTIS-VWLOTQADSA-N 0 1 462.594 3.551 50 0 JHAAMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 ZINC000058327061 195377520 /nfs/dbraw/zinc/37/75/20/195377520.db2.gz BLYKAVRNVIAMBQ-HXUWFJFHSA-N 0 1 469.605 3.995 50 0 JHAAMN O=C(Nc1ccc(Br)cc1F)C1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096324672 130070701 /nfs/dbraw/zinc/07/07/01/130070701.db2.gz CTNHURJSHDTHAB-UHFFFAOYSA-N 0 1 472.318 3.864 50 0 JHAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)c1 ZINC000033307705 518445867 /nfs/dbraw/zinc/44/58/67/518445867.db2.gz UQKICFPSBVCCIM-UHFFFAOYSA-N 0 1 486.619 3.936 50 0 JHAAMN CC(C)C(=O)Nc1ccc2nc(N3CC[NH+](Cc4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260679 519527039 /nfs/dbraw/zinc/52/70/39/519527039.db2.gz QEEXJGIZEVDPDZ-UHFFFAOYSA-N 0 1 450.514 3.989 50 0 JHAAMN CC(=O)N1CCCc2cc(S(=O)(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000033077325 519563368 /nfs/dbraw/zinc/56/33/68/519563368.db2.gz HLYNKQPRHKTSSY-UHFFFAOYSA-N 0 1 476.042 3.830 50 0 JHAAMN CC(C)CNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000033034341 519741558 /nfs/dbraw/zinc/74/15/58/519741558.db2.gz DDUSWPWPFFPHOM-UHFFFAOYSA-N 0 1 472.655 3.580 50 0 JHAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COCC(C)C ZINC000036309952 520318298 /nfs/dbraw/zinc/31/82/98/520318298.db2.gz ARFKNZJTKKSPEL-GGAORHGYSA-N 0 1 474.667 3.917 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412491 520517943 /nfs/dbraw/zinc/51/79/43/520517943.db2.gz NNNPRWPIIMBLQX-AREMUKBSSA-N 0 1 476.621 3.914 50 0 JHAAMN CCC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036310160 520797801 /nfs/dbraw/zinc/79/78/01/520797801.db2.gz FZCWRTHGQAJSSU-OFNKIYASSA-N 0 1 478.630 3.892 50 0 JHAAMN CCCCOc1cc(Br)c([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OCC ZINC000016361741 520849671 /nfs/dbraw/zinc/84/96/71/520849671.db2.gz YNLFSMHGCWZWDR-KRWDZBQOSA-N 0 1 457.390 3.993 50 0 JHAAMN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C[C@H](O)Cc1ccccc1 ZINC000036208271 520936162 /nfs/dbraw/zinc/93/61/62/520936162.db2.gz JBTOIIJXCDPDHD-AREMUKBSSA-N 0 1 492.664 3.926 50 0 JHAAMN CCOC(=O)N1CCN(c2nc3cc(OC)c(OC)cc3cc2CNCc2ccc(F)cc2)CC1 ZINC000012197027 520961542 /nfs/dbraw/zinc/96/15/42/520961542.db2.gz BHLDPHQAJOGTHM-UHFFFAOYSA-N 0 1 482.556 3.959 50 0 JHAAMN CC1CCN(CCNC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)CC1 ZINC000065000255 521013794 /nfs/dbraw/zinc/01/37/94/521013794.db2.gz ORAMGRGHUKSDEX-UHFFFAOYSA-N 0 1 453.558 3.593 50 0 JHAAMN CCC(=O)N(CCN1CCCCC1)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1 ZINC000033545989 521086782 /nfs/dbraw/zinc/08/67/82/521086782.db2.gz SMJYMQLPQGCALH-UHFFFAOYSA-N 0 1 499.652 3.901 50 0 JHAAMN CCOc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(CC)CC2)cc1 ZINC000023478434 521230277 /nfs/dbraw/zinc/23/02/77/521230277.db2.gz YOUSNXXJTQQBET-VWLOTQADSA-N 0 1 451.567 3.629 50 0 JHAAMN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(-c3ccccc3OC)c1)CC2 ZINC000014746945 521525714 /nfs/dbraw/zinc/52/57/14/521525714.db2.gz VWYZFJMHAJKEGW-UHFFFAOYSA-N 0 1 499.615 3.667 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COCC ZINC000036309230 521537677 /nfs/dbraw/zinc/53/76/77/521537677.db2.gz DXUYJOQAAKCDIC-IRLDBZIGSA-N 0 1 460.640 3.671 50 0 JHAAMN CCOC(=O)c1ncoc1-c1ccccc1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000033131136 521600507 /nfs/dbraw/zinc/60/05/07/521600507.db2.gz XOKVUFSKNDAWOM-UHFFFAOYSA-N 0 1 480.540 3.600 50 0 JHAAMN CCN1CCN(Cc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2C)CC1 ZINC000022822182 521689600 /nfs/dbraw/zinc/68/96/00/521689600.db2.gz LEAMADHCQMFOEP-UHFFFAOYSA-N 0 1 456.388 3.726 50 0 JHAAMN CCOCCC[N@@H+](C)C1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000033254048 521704086 /nfs/dbraw/zinc/70/40/86/521704086.db2.gz LNDPHTQLKJVZJP-UHFFFAOYSA-N 0 1 489.638 3.821 50 0 JHAAMN COc1c2c(cc(C[C@H]3CC(CNCc4cccc(C(F)(F)F)c4)=NO3)c1OC)OCO2 ZINC000012418044 521884809 /nfs/dbraw/zinc/88/48/09/521884809.db2.gz LNILFWUOUPSEQT-KRWDZBQOSA-N 0 1 452.429 3.929 50 0 JHAAMN COc1cc(-c2noc([C@@H](NC[C@@H](O)COCc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160489 521919457 /nfs/dbraw/zinc/91/94/57/521919457.db2.gz BVUFGUWYNWODKH-KNQAVFIVSA-N 0 1 471.554 3.627 50 0 JHAAMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000033308207 522291438 /nfs/dbraw/zinc/29/14/38/522291438.db2.gz PLQPICRIGVFEJY-UHFFFAOYSA-N 0 1 465.487 3.903 50 0 JHAAMN CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c1)NC(=O)CCC2=O ZINC000033276712 522706936 /nfs/dbraw/zinc/70/69/36/522706936.db2.gz GJJOXYVNWADCFL-UHFFFAOYSA-N 0 1 488.953 3.948 50 0 JHAAMN CN(CCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)S(=O)(=O)c1cccs1 ZINC000022619689 522721019 /nfs/dbraw/zinc/72/10/19/522721019.db2.gz SGSKSDXZAMVQLZ-LJQANCHMSA-N 0 1 470.060 3.756 50 0 JHAAMN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCCN3CCN(c4ccccc4)CC3)C2)s1 ZINC000033078428 523850208 /nfs/dbraw/zinc/85/02/08/523850208.db2.gz AEYRGNHBXCQUQH-NRFANRHFSA-N 0 1 492.693 3.799 50 0 JHAAMN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000020461844 524022898 /nfs/dbraw/zinc/02/28/98/524022898.db2.gz FBEZSLYEKHOGOY-RMKNXTFCSA-N 0 1 476.577 3.623 50 0 JHAAMN CN(C)CC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)COc2ccccc2Cl)CC1 ZINC000014995183 524041874 /nfs/dbraw/zinc/04/18/74/524041874.db2.gz IZXJGGPRMHBUOD-HSZRJFAPSA-N 0 1 490.019 3.728 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000022705582 524648029 /nfs/dbraw/zinc/64/80/29/524648029.db2.gz MYLZJSASRQBHAE-UHFFFAOYSA-N 0 1 479.558 3.804 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc1F ZINC000033171434 524687030 /nfs/dbraw/zinc/68/70/30/524687030.db2.gz LVFVYELKMMKGNK-UHFFFAOYSA-N 0 1 456.499 3.970 50 0 JHAAMN COc1ccc(OC)c(CN2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)c1 ZINC000012213697 524823785 /nfs/dbraw/zinc/82/37/85/524823785.db2.gz VONBUFUPOYVTLO-SANMLTNESA-N 0 1 451.567 3.517 50 0 JHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1 ZINC000008609815 524882655 /nfs/dbraw/zinc/88/26/55/524882655.db2.gz OPHIBNDFJCXWPI-UHFFFAOYSA-N 0 1 454.552 3.952 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000015972376 524928123 /nfs/dbraw/zinc/92/81/23/524928123.db2.gz NWUKDWPMLUHLRC-JLMYGFKKSA-N 0 1 494.526 3.783 50 0 JHAAMN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@@H]4CCN(Cc5ccccc5)C4)c3C)ncc1CC2 ZINC000014961094 525506335 /nfs/dbraw/zinc/50/63/35/525506335.db2.gz IDNBSTLWNUGPSN-HSZRJFAPSA-N 0 1 494.599 3.749 50 0 JHAAMN Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253221 525606593 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ZINC000015946965 556084346 /nfs/dbraw/zinc/08/43/46/556084346.db2.gz USBXUBWJMMNTMF-FZMZJTMJSA-N 0 1 469.357 3.862 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000015957569 556089082 /nfs/dbraw/zinc/08/90/82/556089082.db2.gz ZZJFQBONDSFONH-MVPDCNEZSA-N 0 1 471.601 3.935 50 0 biogenic JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959270 556091149 /nfs/dbraw/zinc/09/11/49/556091149.db2.gz FKJSGNLOBVBLTD-YDXRHMNESA-N 0 1 479.580 3.509 50 0 biogenic JHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967623 556093818 /nfs/dbraw/zinc/09/38/18/556093818.db2.gz PNXBTSJDAGGTCW-SQVYLTPJSA-N 0 1 485.971 3.546 50 0 biogenic JHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967619 556093891 /nfs/dbraw/zinc/09/38/91/556093891.db2.gz PNXBTSJDAGGTCW-WYNJNVBPSA-N 0 1 485.971 3.546 50 0 biogenic JHAAMN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC[C@@H]1CN(CC(C)C)CCO1)n2CC ZINC000023866365 556094910 /nfs/dbraw/zinc/09/49/10/556094910.db2.gz OVTNGSWOTAHZTP-SFHVURJKSA-N 0 1 468.689 3.536 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015990379 556102541 /nfs/dbraw/zinc/10/25/41/556102541.db2.gz FHIXKGYRGKAFAC-VKDGWMQASA-N 0 1 469.463 3.551 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010293 556109859 /nfs/dbraw/zinc/10/98/59/556109859.db2.gz VJYHLEUEKVPNLU-CMCWBKRRSA-N 0 1 470.356 3.987 50 0 JHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccccc1C(=O)NC1CC1 ZINC000012923755 556142144 /nfs/dbraw/zinc/14/21/44/556142144.db2.gz YIAJEAJMMNNWTO-UHFFFAOYSA-N 0 1 472.368 3.857 50 0 JHAAMN COC(=O)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1cccs1 ZINC000025084909 556179115 /nfs/dbraw/zinc/17/91/15/556179115.db2.gz YPJCVBDEYRXKRC-SFHVURJKSA-N 0 1 488.587 3.900 50 0 JHAAMN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000025139476 556180743 /nfs/dbraw/zinc/18/07/43/556180743.db2.gz XOTQLQPTBLGZEM-UHFFFAOYSA-N 0 1 454.596 3.624 50 0 JHAAMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CC(=O)Nc4cc(C(F)(F)F)ccc43)n2)cc1 ZINC000016946052 556183308 /nfs/dbraw/zinc/18/33/08/556183308.db2.gz ALBULXPAHXTZRK-LLVKDONJSA-N 0 1 477.468 3.965 50 0 JHAAMN Cc1sc2nc(CN3CCN(C[C@@H](O)CO[C@@H](C)c4ccc(Cl)cc4)CC3)[nH]c(=O)c2c1C ZINC000025229410 556205910 /nfs/dbraw/zinc/20/59/10/556205910.db2.gz HPUSREDQHCVTOK-OXJNMPFZSA-N 0 1 491.057 3.511 50 0 JHAAMN Cc1cc(NC(=O)COc2ccccc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053503 556213947 /nfs/dbraw/zinc/21/39/47/556213947.db2.gz OWDFJURKFTVLII-UHFFFAOYSA-N 0 1 469.505 3.650 50 0 JHAAMN Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053562 556214094 /nfs/dbraw/zinc/21/40/94/556214094.db2.gz UQAHNWFDAPWMNP-UHFFFAOYSA-N 0 1 483.488 3.613 50 0 JHAAMN COc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)cc1 ZINC000017135708 556222572 /nfs/dbraw/zinc/22/25/72/556222572.db2.gz PLXGNPJXOHVDAT-UHFFFAOYSA-N 0 1 499.531 3.658 50 0 JHAAMN COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)cc1 ZINC000017135714 556222650 /nfs/dbraw/zinc/22/26/50/556222650.db2.gz SFMDHTXAHQYKRI-UHFFFAOYSA-N 0 1 483.532 3.822 50 0 JHAAMN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)c(OC)c1 ZINC000017135723 556222909 /nfs/dbraw/zinc/22/29/09/556222909.db2.gz CZYJJTPAKPKATB-UHFFFAOYSA-N 0 1 499.531 3.902 50 0 JHAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc12 ZINC000013029206 556223611 /nfs/dbraw/zinc/22/36/11/556223611.db2.gz UWWJBRCQTBCIMC-DEOSSOPVSA-N 0 1 477.521 3.706 50 0 JHAAMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000027146736 556274739 /nfs/dbraw/zinc/27/47/39/556274739.db2.gz JJNUAKCOHHUXKY-ULCRDSCMSA-N 0 1 453.627 3.928 50 0 JHAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3nnc4ccccn43)ccc2Cl)cc1 ZINC000018124297 556291188 /nfs/dbraw/zinc/29/11/88/556291188.db2.gz OUPHWLVKZDDCHV-UHFFFAOYSA-N 0 1 485.953 3.512 50 0 JHAAMN COc1cc(CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)ccc1OCc1ccccc1 ZINC000013109876 556310017 /nfs/dbraw/zinc/31/00/17/556310017.db2.gz JZGJEUYRJCZRSS-QFIPXVFZSA-N 0 1 469.607 3.737 50 0 JHAAMN O=C(Nc1nc2ccccc2s1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000028714806 556340216 /nfs/dbraw/zinc/34/02/16/556340216.db2.gz BNCACZHZTFGZMK-UHFFFAOYSA-N 0 1 465.516 3.519 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000019622348 556357890 /nfs/dbraw/zinc/35/78/90/556357890.db2.gz OPTUBKHUNQLGNK-HSZRJFAPSA-N 0 1 480.542 3.673 50 0 JHAAMN CCOC(=O)C1C(CN2CCc3cc(OC)c(OC)cc3C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000030673196 556369741 /nfs/dbraw/zinc/36/97/41/556369741.db2.gz YXMDIBXMUHXMNW-QHCPKHFHSA-N 0 1 485.968 3.587 50 0 JHAAMN CC(=O)C(Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)C(=O)N(C)C ZINC000030835554 556375400 /nfs/dbraw/zinc/37/54/00/556375400.db2.gz CVLLGYCIVOGMSE-QGZVFWFLSA-N 0 1 459.369 3.835 50 0 JHAAMN CCOc1ccc(-n2cc([C@H]3NC(=O)N=C(C)C3C(=O)OC)c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000019808321 556379755 /nfs/dbraw/zinc/37/97/55/556379755.db2.gz FTVTUORDLOVXSI-JOCHJYFZSA-N 0 1 477.477 3.647 50 0 JHAAMN Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc(=O)c2c1 ZINC000008606754 562946908 /nfs/dbraw/zinc/94/69/08/562946908.db2.gz UUOPXNISWJDTSG-UHFFFAOYSA-N 0 1 464.503 3.561 50 0 JHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccc(C)c(C)c4o3)cc2)n1 ZINC000008606760 562946958 /nfs/dbraw/zinc/94/69/58/562946958.db2.gz GHFHOWQIBBKFEZ-UHFFFAOYSA-N 0 1 464.503 3.561 50 0 JHAAMN CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)cc1 ZINC000040017124 563136897 /nfs/dbraw/zinc/13/68/97/563136897.db2.gz AWFJXPDAFOBTRJ-DEOSSOPVSA-N 0 1 465.575 3.723 50 0 JHAAMN CCOC(=O)C1C(CN(C)Cc2ccc(OC)cc2)=NC(=O)N[C@H]1c1ccccc1OC(F)F ZINC000057315389 569597026 /nfs/dbraw/zinc/59/70/26/569597026.db2.gz VPFPFAPGLVODRP-NRFANRHFSA-N 0 1 475.492 3.600 50 0 JHAAMN CCc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)c1 ZINC000032975771 569606426 /nfs/dbraw/zinc/60/64/26/569606426.db2.gz IKWXWMXIQBPTAT-WOJBJXKFSA-N 0 1 456.564 3.734 50 0 JHAAMN CN(C)CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000062620872 569613392 /nfs/dbraw/zinc/61/33/92/569613392.db2.gz NEKTVWHSAWKAEF-UHFFFAOYSA-N 0 1 486.659 3.822 50 0 JHAAMN Cc1ccccc1S(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000063620118 569615784 /nfs/dbraw/zinc/61/57/84/569615784.db2.gz QYTFXLSVVGHYAE-UHFFFAOYSA-N 0 1 483.565 3.955 50 0 JHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Sc3cc(C)nc4nc(C)nn43)cc2)c1 ZINC000033276039 569622005 /nfs/dbraw/zinc/62/20/05/569622005.db2.gz WGUPRYXJLTUWMH-UHFFFAOYSA-N 0 1 471.564 3.710 50 0 JHAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3C)[nH]c2=O)cc1 ZINC000064592048 569622351 /nfs/dbraw/zinc/62/23/51/569622351.db2.gz LZCBHOJCXCEKIE-UHFFFAOYSA-N 0 1 457.577 3.925 50 0 JHAAMN CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000064611619 569622993 /nfs/dbraw/zinc/62/29/93/569622993.db2.gz OVESIGWAEWLRMZ-UHFFFAOYSA-N 0 1 485.629 3.855 50 0 JHAAMN CCCN1CCN(C(=O)CN(C)c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064703890 569624647 /nfs/dbraw/zinc/62/46/47/569624647.db2.gz UBLQNOWWCNJFNE-UHFFFAOYSA-N 0 1 487.649 3.798 50 0 JHAAMN Cc1c(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc(C(=O)N2CCCCC2)n1C ZINC000064922257 569646138 /nfs/dbraw/zinc/64/61/38/569646138.db2.gz PPDWRKOSXYQQOZ-UHFFFAOYSA-N 0 1 454.390 3.831 50 0 JHAAMN CCc1cccc(C)c1NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C)n1)C(=O)CO2 ZINC000065022429 569648986 /nfs/dbraw/zinc/64/89/86/569648986.db2.gz INOGLTCVAYWVQF-UHFFFAOYSA-N 0 1 476.942 3.629 50 0 JHAAMN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000065097591 569661270 /nfs/dbraw/zinc/66/12/70/569661270.db2.gz SOSNBIPULRYSKH-UHFFFAOYSA-N 0 1 452.945 3.797 50 0 JHAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)C1CCCCC1 ZINC000034834716 569664859 /nfs/dbraw/zinc/66/48/59/569664859.db2.gz UAQGWGQMFDZDIL-UHFFFAOYSA-N 0 1 467.658 3.878 50 0 JHAAMN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000065116506 569666361 /nfs/dbraw/zinc/66/63/61/569666361.db2.gz QBLJDELUTSZLLS-UHFFFAOYSA-N 0 1 452.945 3.797 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C(C)=O)cc3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205177 569677864 /nfs/dbraw/zinc/67/78/64/569677864.db2.gz UWYHWOQSQGOBAH-XMMPIXPASA-N 0 1 496.995 3.536 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205207 569677870 /nfs/dbraw/zinc/67/78/70/569677870.db2.gz MVMBPJGAKRMKRD-HSZRJFAPSA-N 0 1 468.985 3.642 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205166 569677873 /nfs/dbraw/zinc/67/78/73/569677873.db2.gz AUTOFQICEBNXKO-JOCHJYFZSA-N 0 1 489.403 3.987 50 0 JHAAMN CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000035397906 569688623 /nfs/dbraw/zinc/68/86/23/569688623.db2.gz JCPWODVIBVIKEX-UHFFFAOYSA-N 0 1 472.611 3.598 50 0 JHAAMN CCOc1ccccc1[C@@H]1NC(=O)N=C(CN2CCN(c3cc(Cl)ccc3C)CC2)C1C(=O)OC ZINC000067689721 569690148 /nfs/dbraw/zinc/69/01/48/569690148.db2.gz HXGPJVDZYNQUSS-DEOSSOPVSA-N 0 1 499.011 3.650 50 0 JHAAMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000071817143 569698639 /nfs/dbraw/zinc/69/86/39/569698639.db2.gz AHKROOOQSOBAAY-UHFFFAOYSA-N 0 1 479.537 3.803 50 0 JHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccc(F)cc2)c2ccccc21 ZINC000095477515 569724328 /nfs/dbraw/zinc/72/43/28/569724328.db2.gz UTSCHAWYXXQVPE-SANMLTNESA-N 0 1 494.490 3.811 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991366 569744316 /nfs/dbraw/zinc/74/43/16/569744316.db2.gz UVCUUMZZNMTFPG-FQEVSTJZSA-N 0 1 469.413 3.534 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991449 569744507 /nfs/dbraw/zinc/74/45/07/569744507.db2.gz RTVPLDMIDVDTNO-AREMUKBSSA-N 0 1 476.621 3.716 50 0 JHAAMN CCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340400 569763740 /nfs/dbraw/zinc/76/37/40/569763740.db2.gz IMIIXWZKSNWEBM-HSZRJFAPSA-N 0 1 464.585 3.701 50 0 JHAAMN CCCC[C@H](O)CN1CCN(c2nc(C)nc(COC)c2Cc2c(F)cccc2Cl)CC1 ZINC000036340864 569764194 /nfs/dbraw/zinc/76/41/94/569764194.db2.gz JXASAJUHDBHZNG-SFHVURJKSA-N 0 1 465.013 3.988 50 0 JHAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl ZINC000036576539 569776792 /nfs/dbraw/zinc/77/67/92/569776792.db2.gz VAYGHDOWFOPCDK-RHSMWYFYSA-N 0 1 457.383 3.668 50 0 JHAAMN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc2)cc1 ZINC000036773777 569780697 /nfs/dbraw/zinc/78/06/97/569780697.db2.gz REHZVKOBQAIFKE-UHFFFAOYSA-N 0 1 478.618 3.824 50 0 JHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344822 569793905 /nfs/dbraw/zinc/79/39/05/569793905.db2.gz WTKCPNVPSAMAJS-CROMWVBPSA-N 0 1 456.329 3.733 50 0 JHAAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2O)C[C@H]1c1ccc(C(C)C)cc1 ZINC000101456192 569798270 /nfs/dbraw/zinc/79/82/70/569798270.db2.gz DWYOOMIHTNRLCM-FQEVSTJZSA-N 0 1 466.925 3.706 50 0 JHAAMN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000101628442 569802091 /nfs/dbraw/zinc/80/20/91/569802091.db2.gz PSRMJPNBRCZMCB-OALUTQOASA-N 0 1 456.564 3.788 50 0 JHAAMN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000039577231 569810917 /nfs/dbraw/zinc/81/09/17/569810917.db2.gz IGRVQKYUOYSWCX-VXGBXAGGSA-N 0 1 459.351 3.788 50 0 JHAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c1 ZINC000040450666 569828766 /nfs/dbraw/zinc/82/87/66/569828766.db2.gz CKTVQSVHOXQGOJ-NSHDSACASA-N 0 1 451.342 3.750 50 0 JHAAMN O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000103103727 569832917 /nfs/dbraw/zinc/83/29/17/569832917.db2.gz HUULPMZFKSWNQA-MIZPHKNDSA-N 0 1 471.435 3.765 50 0 JHAAMN Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3)C2)C1 ZINC000104360976 569845266 /nfs/dbraw/zinc/84/52/66/569845266.db2.gz TZDWTPRZPSGLDV-UKILVPOCSA-N 0 1 472.589 3.867 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCC ZINC000105004994 569849862 /nfs/dbraw/zinc/84/98/62/569849862.db2.gz GKVVRBBSLNSRGE-SIKLNZKXSA-N 0 1 464.603 3.501 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(C)cc2)cc1Cl ZINC000051316559 569850721 /nfs/dbraw/zinc/85/07/21/569850721.db2.gz XGNPFVVXGYKLIA-UHFFFAOYSA-N 0 1 455.927 3.810 50 0 JHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000051316515 569850729 /nfs/dbraw/zinc/85/07/29/569850729.db2.gz NMKOODALTZWBJO-UHFFFAOYSA-N 0 1 485.953 3.900 50 0 JHAAMN 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COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O ZINC000248342853 570078229 /nfs/dbraw/zinc/07/82/29/570078229.db2.gz YWKFYZTUKJPRKV-FVUXPIOYSA-N 0 1 479.964 3.705 50 0 JHAAMN COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)CC2 ZINC000252694453 570094794 /nfs/dbraw/zinc/09/47/94/570094794.db2.gz KVFNXTACKHFLKO-BYDZIQJJSA-N 0 1 455.595 3.908 50 0 biogenic JHAAMN COc1cccc(NC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc(C)oc2=O)c1 ZINC000253470840 570099180 /nfs/dbraw/zinc/09/91/80/570099180.db2.gz GYZPQYUZVALBHF-SFHVURJKSA-N 0 1 469.490 3.849 50 0 JHAAMN COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000263586005 570171491 /nfs/dbraw/zinc/17/14/91/570171491.db2.gz OWMVPTMESZCOFP-QYBDOPJKSA-N 0 1 479.485 3.730 50 0 biogenic JHAAMN CCN1C(=O)C[C@@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2cccc(C(F)(F)F)c2)C1=O ZINC000299766432 570175206 /nfs/dbraw/zinc/17/52/06/570175206.db2.gz 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O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1ccc2c(c1)OCO2 ZINC000002973744 194190050 /nfs/dbraw/zinc/19/00/50/194190050.db2.gz VRSOVINVVCTIHV-UHFFFAOYSA-N 0 1 476.352 3.647 50 0 JHAAMN COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2Br)N2CCCC2)cc1 ZINC000003459071 194330367 /nfs/dbraw/zinc/33/03/67/194330367.db2.gz DICBCOLAMXQRGX-IBGZPJMESA-N 0 1 451.336 3.929 50 0 JHAAMN Cc1csc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)n1 ZINC000004101280 194377592 /nfs/dbraw/zinc/37/75/92/194377592.db2.gz NLXSMFJARMCGJM-CQSZACIVSA-N 0 1 472.411 3.934 50 0 JHAAMN Cc1[nH]c(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc1Cc1ccccc1 ZINC000009861594 195002100 /nfs/dbraw/zinc/00/21/00/195002100.db2.gz FUZFNCQPNSOALJ-HXUWFJFHSA-N 0 1 455.605 3.621 50 0 JHAAMN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000009919660 195023412 /nfs/dbraw/zinc/02/34/12/195023412.db2.gz QCMMVOYBAIPOOU-UHFFFAOYSA-N 0 1 493.585 3.742 50 0 JHAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3)[nH]c2=O)cc1 ZINC000009941107 195029454 /nfs/dbraw/zinc/02/94/54/195029454.db2.gz KJHYNYOXKKNCGT-UHFFFAOYSA-N 0 1 471.604 3.721 50 0 JHAAMN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000012605141 195050508 /nfs/dbraw/zinc/05/05/08/195050508.db2.gz FHLWHORDCHXZJV-DTQAZKPQSA-N 0 1 450.582 3.673 50 0 JHAAMN COc1cccc([C@@H](CNC(=O)COc2ccc(F)cc2Br)N2CCCC2)c1 ZINC000012758418 195109574 /nfs/dbraw/zinc/10/95/74/195109574.db2.gz CMAQMUMNWNBLJF-LJQANCHMSA-N 0 1 451.336 3.929 50 0 JHAAMN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccs1 ZINC000012785536 195127391 /nfs/dbraw/zinc/12/73/91/195127391.db2.gz IUWVTAUNSZZRGC-SFHVURJKSA-N 0 1 489.585 3.587 50 0 JHAAMN COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)N2CCCC2)c1 ZINC000012788193 195129759 /nfs/dbraw/zinc/12/97/59/195129759.db2.gz KRIZYHWIGBNUAB-AREMUKBSSA-N 0 1 499.677 3.666 50 0 JHAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F)C(=O)OC ZINC000020731229 195210378 /nfs/dbraw/zinc/21/03/78/195210378.db2.gz KGOQUXBMIMUHTA-DPZKZMLUSA-N 0 1 467.339 3.556 50 0 JHAAMN CCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1=O ZINC000020765324 195220536 /nfs/dbraw/zinc/22/05/36/195220536.db2.gz DZXMIQAXTPLHIB-UHFFFAOYSA-N 0 1 492.395 3.598 50 0 JHAAMN CCOc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c2c1 ZINC000020765312 195220807 /nfs/dbraw/zinc/22/08/07/195220807.db2.gz WDSLBWWQYXHHCN-HDICACEKSA-N 0 1 497.617 3.870 50 0 JHAAMN CCN1CCN([C@H](c2ccc(SC)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098330 195276085 /nfs/dbraw/zinc/27/60/85/195276085.db2.gz ULWDSLASSOBYLY-XMMPIXPASA-N 0 1 453.608 3.952 50 0 aggregator JHAAMN Cc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)N2CCCC2)o1 ZINC000058218933 195374203 /nfs/dbraw/zinc/37/42/03/195374203.db2.gz GWMUQFPDEBDRGS-QHCPKHFHSA-N 0 1 473.639 3.559 50 0 JHAAMN C[C@@H](OC(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000096488354 130105132 /nfs/dbraw/zinc/10/51/32/130105132.db2.gz QIYNLGAWFBETOO-HYMFSAHRSA-N 0 1 486.937 3.514 50 0 JHAAMN CCCN1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4cccc(Cl)c4)c3c2=O)CC1 ZINC000020415858 519856135 /nfs/dbraw/zinc/85/61/35/519856135.db2.gz XFHZAXDGHMHZKW-UHFFFAOYSA-N 0 1 477.996 3.607 50 0 JHAAMN CCCN1CCN(C(=O)c2ccc(OCc3nnc(C(=O)Nc4ccccc4F)s3)cc2)CC1 ZINC000033114319 519857144 /nfs/dbraw/zinc/85/71/44/519857144.db2.gz UGPZIVSPJSQSJJ-UHFFFAOYSA-N 0 1 483.569 3.676 50 0 JHAAMN CCCCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033033327 520473271 /nfs/dbraw/zinc/47/32/71/520473271.db2.gz RSPHGONJGPZWHO-UHFFFAOYSA-N 0 1 472.655 3.776 50 0 JHAAMN CCOC(=O)C1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000017296960 520580660 /nfs/dbraw/zinc/58/06/60/520580660.db2.gz OMFKLNVRVXOQSC-SANMLTNESA-N 0 1 491.588 3.679 50 0 JHAAMN CCOc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)cc1 ZINC000009487599 521068358 /nfs/dbraw/zinc/06/83/58/521068358.db2.gz VSYYRDCMJCVHCJ-UHFFFAOYSA-N 0 1 469.958 3.832 50 0 JHAAMN 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COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000009467920 555246139 /nfs/dbraw/zinc/24/61/39/555246139.db2.gz VSSBVNOBXZNYAL-UHFFFAOYSA-N 0 1 465.531 3.875 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1 ZINC000009511936 555301329 /nfs/dbraw/zinc/30/13/29/555301329.db2.gz RKZXKZDUFWNPIO-UHFFFAOYSA-N 0 1 462.325 3.906 50 0 JHAAMN COc1ccccc1[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCCC1 ZINC000009544859 555337075 /nfs/dbraw/zinc/33/70/75/555337075.db2.gz HBWZPIBWDVEZFC-XMMPIXPASA-N 0 1 468.557 3.961 50 0 JHAAMN CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)nn1 ZINC000009650641 555362169 /nfs/dbraw/zinc/36/21/69/555362169.db2.gz MTKMBAKYGVLRAH-UHFFFAOYSA-N 0 1 471.482 3.757 50 0 JHAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)Nc1c(F)cccc1F ZINC000009588201 555400400 /nfs/dbraw/zinc/40/04/00/555400400.db2.gz IDTQKSMUJNEFJX-UHFFFAOYSA-N 0 1 464.421 3.700 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 ZINC000009680239 555407842 /nfs/dbraw/zinc/40/78/42/555407842.db2.gz DKJKQDPTBVVURK-UHFFFAOYSA-N 0 1 490.545 3.737 50 0 JHAAMN CCOC(=O)C1C(COC(=O)c2ccc(OC)c(F)c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000009613913 555450135 /nfs/dbraw/zinc/45/01/35/555450135.db2.gz IZXPQEXYRZKMKM-LJQANCHMSA-N 0 1 462.861 3.516 50 0 JHAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)N1CCCC1 ZINC000009729004 555463576 /nfs/dbraw/zinc/46/35/76/555463576.db2.gz PTJSEMIHKXDNKD-HSZRJFAPSA-N 0 1 485.650 3.745 50 0 JHAAMN Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000010065735 555613776 /nfs/dbraw/zinc/61/37/76/555613776.db2.gz RUMWOOJMSKWSQH-UHFFFAOYSA-N 0 1 472.636 3.598 50 0 JHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)NCC(=O)Nc3ccc(Br)cc3C)n2)cc1 ZINC000014075775 555679866 /nfs/dbraw/zinc/67/98/66/555679866.db2.gz ZEJCQDOTCDZLRN-UHFFFAOYSA-N 0 1 488.411 3.952 50 0 JHAAMN COc1ccc2cc3cc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)oc3nc2c1 ZINC000020210105 555702852 /nfs/dbraw/zinc/70/28/52/555702852.db2.gz PFWLIKXIKYJHSM-UHFFFAOYSA-N 0 1 458.562 3.927 50 0 JHAAMN COc1cccc(-n2nc(C)c(CCC(=O)NCC3(N4CCOCC4)CCCCC3)c2C)c1 ZINC000014141748 555707057 /nfs/dbraw/zinc/70/70/57/555707057.db2.gz ZAVVKMWDAFSSOG-UHFFFAOYSA-N 0 1 454.615 3.582 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214186 555709046 /nfs/dbraw/zinc/70/90/46/555709046.db2.gz CRLGULOJUYHMBF-XMMPIXPASA-N 0 1 483.012 3.950 50 0 JHAAMN C[C@H](NCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000014183667 555725131 /nfs/dbraw/zinc/72/51/31/555725131.db2.gz OGLKKOORJUTMCZ-MBSDFSHPSA-N 0 1 450.560 3.908 50 0 JHAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000014202163 555733817 /nfs/dbraw/zinc/73/38/17/555733817.db2.gz DXKKFDGWXBBDJN-UHFFFAOYSA-N 0 1 451.592 3.736 50 0 JHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2=O)cc1C ZINC000020355874 555784942 /nfs/dbraw/zinc/78/49/42/555784942.db2.gz WFDPHTLILGIOEB-UHFFFAOYSA-N 0 1 497.520 3.969 50 0 JHAAMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000014368960 555800393 /nfs/dbraw/zinc/80/03/93/555800393.db2.gz VGHGMABBPVRDTR-UHFFFAOYSA-N 0 1 491.642 3.917 50 0 JHAAMN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014543822 555834614 /nfs/dbraw/zinc/83/46/14/555834614.db2.gz ZKEMNPIAXUPPKC-UHFFFAOYSA-N 0 1 481.980 3.855 50 0 JHAAMN COc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1O ZINC000012036616 555889748 /nfs/dbraw/zinc/88/97/48/555889748.db2.gz BFRWMXGHAYQCLC-AAHGLTIQSA-N 0 1 475.633 3.861 50 0 JHAAMN Cc1ccccc1[C@]1(CC(=O)N(C)Cc2n[nH]c3c2CCCC3)CC(=O)N(Cc2ccccc2)C1=O ZINC000012055357 555898207 /nfs/dbraw/zinc/89/82/07/555898207.db2.gz VIJQBRKUEAETPC-LJAQVGFWSA-N 0 1 484.600 3.843 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)CCC2CCCC2)c1 ZINC000015356746 555900591 /nfs/dbraw/zinc/90/05/91/555900591.db2.gz FVUNCTLJZYUAHV-UHFFFAOYSA-N 0 1 464.676 3.768 50 0 JHAAMN CCC[C@]1(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012099992 555907523 /nfs/dbraw/zinc/90/75/23/555907523.db2.gz BBOISZLBFLPTFF-XMMPIXPASA-N 0 1 471.627 3.780 50 0 JHAAMN CCCc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)n[nH]1 ZINC000012241654 555945496 /nfs/dbraw/zinc/94/54/96/555945496.db2.gz GVLRRBXLKUZSCT-VWLOTQADSA-N 0 1 464.591 3.669 50 0 JHAAMN Cc1ccc(-n2nc(N3CCCN(C(=O)c4n[nH]c5c4CCc4ccccc4-5)CC3)ccc2=O)cc1C ZINC000015730186 555971332 /nfs/dbraw/zinc/97/13/32/555971332.db2.gz IFQLDDJRLUJGJR-UHFFFAOYSA-N 0 1 494.599 3.691 50 0 JHAAMN CC[C@H](C)N(CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)Cc1cccs1 ZINC000015731057 555973534 /nfs/dbraw/zinc/97/35/34/555973534.db2.gz YYNHZKMBOYVZMM-HNNXBMFYSA-N 0 1 453.655 3.761 50 0 JHAAMN Cc1cc(C)n(Cc2c(C)onc2C(=O)NCCN(CCc2ccccc2)Cc2ccco2)n1 ZINC000015736254 555982960 /nfs/dbraw/zinc/98/29/60/555982960.db2.gz ADTCJWXTOJRJNU-UHFFFAOYSA-N 0 1 461.566 3.912 50 0 JHAAMN CCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000022936149 555988681 /nfs/dbraw/zinc/98/86/81/555988681.db2.gz XQJPXCAXYYDOMM-UHFFFAOYSA-N 0 1 455.990 3.783 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)[NH+](C)C)cc1 ZINC000012526395 555994681 /nfs/dbraw/zinc/99/46/81/555994681.db2.gz GWCMQHSUMBHFOV-DEOSSOPVSA-N 0 1 485.581 3.976 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3cccs3)N(C)C)c2)cc1 ZINC000012526314 555994788 /nfs/dbraw/zinc/99/47/88/555994788.db2.gz VIGBMHHZXKLXBQ-FQEVSTJZSA-N 0 1 459.593 3.590 50 0 JHAAMN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21 ZINC000015781369 556000426 /nfs/dbraw/zinc/00/04/26/556000426.db2.gz WQIICEVHKOLIKG-UHFFFAOYSA-N 0 1 473.414 3.742 50 0 JHAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000023055239 556003318 /nfs/dbraw/zinc/00/33/18/556003318.db2.gz QQQYENIRZKYDTA-QFIPXVFZSA-N 0 1 459.612 3.810 50 0 JHAAMN COc1c(Br)cc(Br)cc1[C@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000012535709 556008266 /nfs/dbraw/zinc/00/82/66/556008266.db2.gz ICVJAHNQDKCNRW-AWEZNQCLSA-N 0 1 451.122 3.666 50 0 JHAAMN COC(=O)Cn1c2cc(Cl)ccc2cc(CN2CCN(c3ccc(C)cc3C)CC2)c1=O ZINC000023339112 556047571 /nfs/dbraw/zinc/04/75/71/556047571.db2.gz RRUVXDWWLXDLIR-UHFFFAOYSA-N 0 1 453.970 3.767 50 0 JHAAMN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc2)C1 ZINC000012568515 556069099 /nfs/dbraw/zinc/06/90/99/556069099.db2.gz VBUYSGCNTKSILQ-XQBPLPMBSA-N 0 1 459.612 3.513 50 0 JHAAMN CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)cc1 ZINC000015940993 556075990 /nfs/dbraw/zinc/07/59/90/556075990.db2.gz MKMWZABSVQKJDI-XMMPIXPASA-N 0 1 467.591 3.919 50 0 JHAAMN Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967691 556093833 /nfs/dbraw/zinc/09/38/33/556093833.db2.gz OPXHLGNYZGUKKP-JLMYGFKKSA-N 0 1 476.536 3.644 50 0 biogenic JHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969770 556095696 /nfs/dbraw/zinc/09/56/96/556095696.db2.gz NFNFNIQFJVKXLA-NLJXWPIHSA-N 0 1 485.971 3.546 50 0 biogenic JHAAMN C[NH+](C)Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc32)cc1 ZINC000023899112 556099320 /nfs/dbraw/zinc/09/93/20/556099320.db2.gz RPDNCHBWURQRBF-UHFFFAOYSA-N 0 1 494.548 3.782 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015990032 556102378 /nfs/dbraw/zinc/10/23/78/556102378.db2.gz OOGVVLACMFNPTO-VKDGWMQASA-N 0 1 470.356 3.839 50 0 JHAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015990377 556102610 /nfs/dbraw/zinc/10/26/10/556102610.db2.gz FHIXKGYRGKAFAC-CMCWBKRRSA-N 0 1 469.463 3.551 50 0 JHAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010348 556110145 /nfs/dbraw/zinc/11/01/45/556110145.db2.gz HDFCKWMEPBPNLL-UAKAABGRSA-N 0 1 469.463 3.699 50 0 JHAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000016012100 556110962 /nfs/dbraw/zinc/11/09/62/556110962.db2.gz OVVDUZGLCBHRFU-MSZDEVHKSA-N 0 1 491.469 3.873 50 0 JHAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016020257 556113046 /nfs/dbraw/zinc/11/30/46/556113046.db2.gz JBONLAHGEHZHAV-DFIMXKNXSA-N 0 1 486.547 3.603 50 0 JHAAMN COc1cccc([C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)N(C)C)c1 ZINC000012819711 556115574 /nfs/dbraw/zinc/11/55/74/556115574.db2.gz DPVQTPHGUIRCED-VGOFRKELSA-N 0 1 494.057 3.802 50 0 JHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCC3)cc1 ZINC000024756543 556150598 /nfs/dbraw/zinc/15/05/98/556150598.db2.gz VXYRZUGQXZNPCX-UHFFFAOYSA-N 0 1 463.357 3.853 50 0 JHAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000024836128 556159017 /nfs/dbraw/zinc/15/90/17/556159017.db2.gz BKEUUCQPUHKTQV-BHDDXSALSA-N 0 1 476.017 3.575 50 0 JHAAMN CCOc1ccc(NC(=O)CN(C)CC2CCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000025047193 556173900 /nfs/dbraw/zinc/17/39/00/556173900.db2.gz XOJZSVGRSQUYRR-UHFFFAOYSA-N 0 1 451.633 3.711 50 0 JHAAMN C[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012987492 556181868 /nfs/dbraw/zinc/18/18/68/556181868.db2.gz FOIOPALOOCWYCA-FQEVSTJZSA-N 0 1 479.602 3.664 50 0 JHAAMN COc1cccc([C@H](CNC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)N(C)C)c1 ZINC000013001984 556194962 /nfs/dbraw/zinc/19/49/62/556194962.db2.gz WZJCWACHOKDNFU-NRFANRHFSA-N 0 1 480.565 3.692 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000025810855 556236921 /nfs/dbraw/zinc/23/69/21/556236921.db2.gz FFHQUJKIHVVPME-HSZRJFAPSA-N 0 1 468.985 3.642 50 0 JHAAMN COc1ccc([C@H](CNC(=O)CSc2nnc(-c3ccoc3C)n2C)N2CCCCC2)cc1 ZINC000025898854 556238415 /nfs/dbraw/zinc/23/84/15/556238415.db2.gz HNAVFVFMYVWHJR-NRFANRHFSA-N 0 1 469.611 3.828 50 0 JHAAMN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000026129677 556249792 /nfs/dbraw/zinc/24/97/92/556249792.db2.gz JIPRGRAKGYQJHN-FVJLSDCUSA-N 0 1 484.478 3.963 50 0 JHAAMN CCOC(=O)C1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000017296956 556252142 /nfs/dbraw/zinc/25/21/42/556252142.db2.gz AQILKWOMKAZIKM-SANMLTNESA-N 0 1 491.588 3.679 50 0 JHAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000017308150 556256005 /nfs/dbraw/zinc/25/60/05/556256005.db2.gz BRIKJJQPNDUUTH-UHFFFAOYSA-N 0 1 479.967 3.798 50 0 JHAAMN COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)N(C)C)c1 ZINC000018016953 556276709 /nfs/dbraw/zinc/27/67/09/556276709.db2.gz GLTJMOYIVIIOGM-SANMLTNESA-N 0 1 495.645 3.668 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C)cc2OC)c1 ZINC000028846596 556342810 /nfs/dbraw/zinc/34/28/10/556342810.db2.gz UOTGMDJENNGROY-UHFFFAOYSA-N 0 1 472.519 3.536 50 0 JHAAMN 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3.601 50 0 JHAAMN Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000012526116 555994054 /nfs/dbraw/zinc/99/40/54/555994054.db2.gz KFRQXXGZVWFCSJ-UHFFFAOYSA-N 0 1 457.577 3.980 50 0 JHAAMN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(CC)ccc3OC)cc21 ZINC000015781435 556000474 /nfs/dbraw/zinc/00/04/74/556000474.db2.gz RXTXEEADARGTNF-UHFFFAOYSA-N 0 1 452.598 3.551 50 0 JHAAMN CCCn1c(CSc2nc(-c3ccccc3)n[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012549975 556030266 /nfs/dbraw/zinc/03/02/66/556030266.db2.gz HMEDYFPNMDLQGU-UHFFFAOYSA-N 0 1 498.634 3.545 50 0 JHAAMN COc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(OC)cc1NC(=O)c1ccccc1 ZINC000012552417 556035202 /nfs/dbraw/zinc/03/52/02/556035202.db2.gz RTGCHLBHEOGGAZ-UHFFFAOYSA-N 0 1 484.530 3.918 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3C)ccc2OC)cc1Br ZINC000015946969 556084359 /nfs/dbraw/zinc/08/43/59/556084359.db2.gz USBXUBWJMMNTMF-RISCZKNCSA-N 0 1 469.357 3.862 50 0 JHAAMN CCOC(=O)C1C(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000023819838 556090041 /nfs/dbraw/zinc/09/00/41/556090041.db2.gz QEGUTEUPDZWELZ-JLTOFOAXSA-N 0 1 458.898 3.522 50 0 JHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969088 556095036 /nfs/dbraw/zinc/09/50/36/556095036.db2.gz GQWZWBHCJPUACB-CHCBTGSZSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[NH+](C)C)c1 ZINC000012921464 556140257 /nfs/dbraw/zinc/14/02/57/556140257.db2.gz BQZUFCBRJAHXDG-QHCPKHFHSA-N 0 1 471.554 3.668 50 0 JHAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3Cl)[nH]c2=O)cc1 ZINC000017026180 556205748 /nfs/dbraw/zinc/20/57/48/556205748.db2.gz MZBAMLMNJLRUOC-UHFFFAOYSA-N 0 1 479.967 3.716 50 0 JHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000017026584 556206403 /nfs/dbraw/zinc/20/64/03/556206403.db2.gz IXXYXBDNFJWOOE-UHFFFAOYSA-N 0 1 472.588 3.946 50 0 JHAAMN Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1 ZINC000017136063 556223448 /nfs/dbraw/zinc/22/34/48/556223448.db2.gz PYNWOSNSSIIJIU-UHFFFAOYSA-N 0 1 483.532 3.958 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C(C)=O)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000025807936 556236886 /nfs/dbraw/zinc/23/68/86/556236886.db2.gz ZIZPMVGKGFAVNK-XMMPIXPASA-N 0 1 496.995 3.536 50 0 JHAAMN Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000026817032 556263731 /nfs/dbraw/zinc/26/37/31/556263731.db2.gz LLJXKGUBFDFFLN-JLMYGFKKSA-N 0 1 494.526 3.783 50 0 JHAAMN Cc1c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000019314395 556340203 /nfs/dbraw/zinc/34/02/03/556340203.db2.gz FZSMUTANNXDTGW-UHFFFAOYSA-N 0 1 495.627 3.830 50 0 JHAAMN Cc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)c1 ZINC000013137133 556367310 /nfs/dbraw/zinc/36/73/10/556367310.db2.gz HIFTVYQYGNRDLH-UHFFFAOYSA-N 0 1 478.514 3.521 50 0 JHAAMN COc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000032271459 556433959 /nfs/dbraw/zinc/43/39/59/556433959.db2.gz HMXWTCQHMZXXPP-UHFFFAOYSA-N 0 1 460.483 3.905 50 0 JHAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC(CN4CCOCC4)CC3)cc12 ZINC000032935333 556550517 /nfs/dbraw/zinc/55/05/17/556550517.db2.gz WLDHYXDBNKCRCG-UHFFFAOYSA-N 0 1 456.587 3.778 50 0 JHAAMN Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)oc2c1 ZINC000008606751 562946931 /nfs/dbraw/zinc/94/69/31/562946931.db2.gz SYMRPZQIXCCHHZ-UHFFFAOYSA-N 0 1 478.530 3.870 50 0 JHAAMN COC(=O)c1ccc(Sc2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1 ZINC000008656524 562948671 /nfs/dbraw/zinc/94/86/71/562948671.db2.gz YHMIXQKHEMCXAC-UHFFFAOYSA-N 0 1 457.533 3.779 50 0 JHAAMN Cc1cccc(CCNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccccc4C)cc3c2=O)c1 ZINC000006181449 569588898 /nfs/dbraw/zinc/58/88/98/569588898.db2.gz KUZSQONSZBMYQQ-UHFFFAOYSA-N 0 1 475.570 3.918 50 0 JHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)n1 ZINC000008722830 569599026 /nfs/dbraw/zinc/59/90/26/569599026.db2.gz PZUBAYFENQKOCW-UHFFFAOYSA-N 0 1 475.983 3.674 50 0 JHAAMN COc1c(Br)cc(Cl)cc1S(=O)(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000059747311 569607515 /nfs/dbraw/zinc/60/75/15/569607515.db2.gz FLNMYQZZMXWLEO-UHFFFAOYSA-N 0 1 465.797 3.765 50 0 JHAAMN Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccs2)cc1 ZINC000062269834 569610473 /nfs/dbraw/zinc/61/04/73/569610473.db2.gz UHHMMTIJDGHBLL-YADARESESA-N 0 1 499.658 3.784 50 0 JHAAMN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)C3CCN(Cc4ccncc4)CC3)cc2)c1 ZINC000062602265 569612800 /nfs/dbraw/zinc/61/28/00/569612800.db2.gz UXESVELDZAVRHZ-UHFFFAOYSA-N 0 1 488.588 3.844 50 0 JHAAMN Cc1nnc(C(=O)Nc2ccc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc2)s1 ZINC000033011032 569616999 /nfs/dbraw/zinc/61/69/99/569616999.db2.gz NLGRIETZYHRKDT-UHFFFAOYSA-N 0 1 499.040 3.694 50 0 JHAAMN CCOc1ccccc1NC(=O)c1cnn2c1n(CC)c1c(c2=O)CN(Cc2ccccc2)CC1 ZINC000064835950 569636453 /nfs/dbraw/zinc/63/64/53/569636453.db2.gz 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Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000065097668 569661550 /nfs/dbraw/zinc/66/15/50/569661550.db2.gz NVCWIKAJKDCLTE-UHFFFAOYSA-N 0 1 470.935 3.936 50 0 JHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137440 569668239 /nfs/dbraw/zinc/66/82/39/569668239.db2.gz NJYRBJDSMRFAEQ-UHFFFAOYSA-N 0 1 466.535 3.772 50 0 JHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3C)cn2C)sc1C(=O)N1CCOCC1 ZINC000065137566 569668579 /nfs/dbraw/zinc/66/85/79/569668579.db2.gz SOWOXBQDPIJYGG-UHFFFAOYSA-N 0 1 495.026 3.692 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205174 569677765 /nfs/dbraw/zinc/67/77/65/569677765.db2.gz LSKYTUBPECBXJW-QFIPXVFZSA-N 0 1 489.403 3.987 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205109 569677813 /nfs/dbraw/zinc/67/78/13/569677813.db2.gz CWHKSICRFCASSF-QHCPKHFHSA-N 0 1 468.985 3.642 50 0 JHAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000035372988 569683547 /nfs/dbraw/zinc/68/35/47/569683547.db2.gz QRXFKVHWHZPDIG-UHFFFAOYSA-N 0 1 464.591 3.761 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067287023 569684270 /nfs/dbraw/zinc/68/42/70/569684270.db2.gz PPJWRTHERZBPEL-HSZRJFAPSA-N 0 1 484.597 3.541 50 0 JHAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccccc32)c1 ZINC000035375610 569684600 /nfs/dbraw/zinc/68/46/00/569684600.db2.gz RBIAMICMBOBXAV-APSVEGKFSA-N 0 1 476.536 3.644 50 0 JHAAMN Cc1oc2ncn(CCC(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)c(=O)c2c1C ZINC000035378537 569685852 /nfs/dbraw/zinc/68/58/52/569685852.db2.gz HJSBZBRHLGDDBL-UHFFFAOYSA-N 0 1 456.974 3.678 50 0 JHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000035399165 569689764 /nfs/dbraw/zinc/68/97/64/569689764.db2.gz GRFFWAPWWYRDOG-UHFFFAOYSA-N 0 1 499.633 3.876 50 0 JHAAMN Cc1cc(C)n(CCOc2ccc([C@@H]3CC(=O)Nc4c3c(C)nn4-c3ncnc4[nH]cnc43)cc2)n1 ZINC000072405263 569703910 /nfs/dbraw/zinc/70/39/10/569703910.db2.gz CQMDSWRQABDAML-IBGZPJMESA-N 0 1 483.536 3.863 50 0 JHAAMN Cc1ccnn1CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1 ZINC000072404830 569703921 /nfs/dbraw/zinc/70/39/21/569703921.db2.gz OFZBKYGUUKUAPZ-GOSISDBHSA-N 0 1 469.509 3.555 50 0 JHAAMN O=C(NCc1ccc(-n2cccn2)nc1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC000078796699 569706747 /nfs/dbraw/zinc/70/67/47/569706747.db2.gz QAHFYWKAJDFPHO-UHFFFAOYSA-N 0 1 453.911 3.870 50 0 JHAAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000035829514 569713113 /nfs/dbraw/zinc/71/31/13/569713113.db2.gz CJYJVSZUXYLVGG-ZDLGFXPLSA-N 0 1 453.842 3.541 50 0 JHAAMN COc1cc(Cl)c(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c(OC)c1 ZINC000085690644 569714932 /nfs/dbraw/zinc/71/49/32/569714932.db2.gz LULAQHXODBUKFN-HNNXBMFYSA-N 0 1 469.929 3.633 50 0 JHAAMN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]23)cc1 ZINC000035870524 569718386 /nfs/dbraw/zinc/71/83/86/569718386.db2.gz KEERVWJSZWWNPK-XTEPFMGCSA-N 0 1 455.602 3.917 50 0 JHAAMN O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1 ZINC000035871972 569719109 /nfs/dbraw/zinc/71/91/09/569719109.db2.gz ODVJQTXJJXDETI-GMAHTHKFSA-N 0 1 477.502 3.566 50 0 JHAAMN COCCN1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929750 569731426 /nfs/dbraw/zinc/73/14/26/569731426.db2.gz MFNDTXOUBPRKAS-UHFFFAOYSA-N 0 1 481.963 3.626 50 0 JHAAMN Cc1cccc(CN2CCN(c3ccc(NC(=O)C4CCC4)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000036027582 569751192 /nfs/dbraw/zinc/75/11/92/569751192.db2.gz LQESFFHXLKPTIW-UHFFFAOYSA-N 0 1 476.621 3.528 50 0 JHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000036341676 569764731 /nfs/dbraw/zinc/76/47/31/569764731.db2.gz LOGKENAOWXXBFJ-RUZDIDTESA-N 0 1 464.610 3.636 50 0 JHAAMN COc1cccc(C2=NO[C@@H]3C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C(=O)[C@H]23)c1OC ZINC000101273968 569788827 /nfs/dbraw/zinc/78/88/27/569788827.db2.gz OHIBPSHVSRSEJE-PBHICJAKSA-N 0 1 454.788 3.669 50 0 JHAAMN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000101628055 569801950 /nfs/dbraw/zinc/80/19/50/569801950.db2.gz UNVCJBUIFIWDKF-OALUTQOASA-N 0 1 456.564 3.788 50 0 JHAAMN CCc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)c1 ZINC000101628986 569802080 /nfs/dbraw/zinc/80/20/80/569802080.db2.gz IKWXWMXIQBPTAT-PMACEKPBSA-N 0 1 456.564 3.734 50 0 JHAAMN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000102290048 569811961 /nfs/dbraw/zinc/81/19/61/569811961.db2.gz CHUKDFIWMUJMIB-PMACEKPBSA-N 0 1 456.564 3.788 50 0 JHAAMN COc1cccc([C@@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)N2CCCC2)c1 ZINC000040086473 569815849 /nfs/dbraw/zinc/81/58/49/569815849.db2.gz LRXFSSJQVGHFOE-OAQYLSRUSA-N 0 1 470.371 3.605 50 0 JHAAMN Cc1ccc(NC(=O)CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1S(=O)(=O)N(C)C ZINC000040135395 569817409 /nfs/dbraw/zinc/81/74/09/569817409.db2.gz RXZAXHCDYAUQDV-IBGZPJMESA-N 0 1 454.596 3.545 50 0 JHAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(OC)c1O ZINC000102765550 569822793 /nfs/dbraw/zinc/82/27/93/569822793.db2.gz PEZJQVAGNLQVMR-CQOQZXRMSA-N 0 1 460.486 3.769 50 0 JHAAMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NC(=O)c2cccs2)c(C)c1 ZINC000040161882 569822949 /nfs/dbraw/zinc/82/29/49/569822949.db2.gz HVXISGOAJAJFCB-UHFFFAOYSA-N 0 1 486.571 3.588 50 0 JHAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F)C(=O)OC ZINC000043735318 569838360 /nfs/dbraw/zinc/83/83/60/569838360.db2.gz KGOQUXBMIMUHTA-SDDDUWNISA-N 0 1 467.339 3.556 50 0 JHAAMN CC(C)COC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983794 569848202 /nfs/dbraw/zinc/84/82/02/569848202.db2.gz VNUJBUXDHUWIGF-FCHUYYIVSA-N 0 1 458.530 3.583 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccccc2OC)cc1Cl ZINC000051316574 569850644 /nfs/dbraw/zinc/85/06/44/569850644.db2.gz SBFMEPBMDZCFLF-UHFFFAOYSA-N 0 1 471.926 3.510 50 0 JHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)N(C)c2ccccc2)cc1Cl ZINC000051316564 569850749 /nfs/dbraw/zinc/85/07/49/569850749.db2.gz LUXHHJLKIDXOMF-UHFFFAOYSA-N 0 1 455.927 3.526 50 0 JHAAMN COC(=O)C1=C(CN2CCN(c3cc(Cl)ccc3C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318409 569851779 /nfs/dbraw/zinc/85/17/79/569851779.db2.gz QUUALNLSZASTJC-HSZRJFAPSA-N 0 1 468.985 3.560 50 0 JHAAMN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000105562626 569853205 /nfs/dbraw/zinc/85/32/05/569853205.db2.gz JIPRGRAKGYQJHN-CBGDNZLLSA-N 0 1 484.478 3.963 50 0 JHAAMN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000169677123 569868467 /nfs/dbraw/zinc/86/84/67/569868467.db2.gz KEERVWJSZWWNPK-IAPPQJPRSA-N 0 1 455.602 3.917 50 0 JHAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@@H](O)COC ZINC000169681680 569870791 /nfs/dbraw/zinc/87/07/91/569870791.db2.gz USIMAWVJMDFGEJ-WIYYLYMNSA-N 0 1 467.031 3.626 50 0 JHAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc(Cl)cc2c1OCOC2 ZINC000218075121 569882680 /nfs/dbraw/zinc/88/26/80/569882680.db2.gz SNKNCKUHYXMGLI-CYBMUJFWSA-N 0 1 456.834 3.971 50 0 biogenic JHAAMN CN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C1=O ZINC000248065169 570073465 /nfs/dbraw/zinc/07/34/65/570073465.db2.gz VZVLDZHHXJSNSA-JTHZHXAOSA-N 0 1 485.971 3.528 50 0 JHAAMN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(Br)c1 ZINC000248333369 570077779 /nfs/dbraw/zinc/07/77/79/570077779.db2.gz JYFFTTFOFVNVQH-TXNPELCJSA-N 0 1 494.389 3.806 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000249691155 570078595 /nfs/dbraw/zinc/07/85/95/570078595.db2.gz LFDIDPHFTVIRKW-CDSYHYPYSA-N 0 1 470.356 3.839 50 0 JHAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000249693986 570078663 /nfs/dbraw/zinc/07/86/63/570078663.db2.gz OOGVVLACMFNPTO-XHOYROJHSA-N 0 1 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COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)c1 ZINC000009957312 195037056 /nfs/dbraw/zinc/03/70/56/195037056.db2.gz XYOKRQZNLSUABW-KRWDZBQOSA-N 0 1 467.547 3.561 50 0 JHAAMN C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000012605538 195050911 /nfs/dbraw/zinc/05/09/11/195050911.db2.gz TVCLJQMJZPLVGE-LBPRGKRZSA-N 0 1 483.497 3.811 50 0 JHAAMN C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000012605536 195050945 /nfs/dbraw/zinc/05/09/45/195050945.db2.gz TVCLJQMJZPLVGE-GFCCVEGCSA-N 0 1 483.497 3.811 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)CCCc2cccs2)c1 ZINC000012729734 195098369 /nfs/dbraw/zinc/09/83/69/195098369.db2.gz CNZMIKIVHUQMCB-UHFFFAOYSA-N 0 1 492.711 3.882 50 0 JHAAMN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012794790 195135053 /nfs/dbraw/zinc/13/50/53/195135053.db2.gz WDYKSKNMGRNCJK-HSZRJFAPSA-N 0 1 473.639 3.730 50 0 JHAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000020678044 195203129 /nfs/dbraw/zinc/20/31/29/195203129.db2.gz AWLPLJZWVSAGRC-UHFFFAOYSA-N 0 1 465.598 3.853 50 0 JHAAMN O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@@H](N1CCN(Cc2cccnc2)CC1)CC3 ZINC000020999483 195265520 /nfs/dbraw/zinc/26/55/20/195265520.db2.gz ZRKOKSIJUKVKOH-NRFANRHFSA-N 0 1 489.620 3.716 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1Cl ZINC000021030492 195269662 /nfs/dbraw/zinc/26/96/62/195269662.db2.gz JWROJKJHODVRGZ-UHFFFAOYSA-N 0 1 453.992 3.977 50 0 JHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)[nH]c2=O)cc1Cl ZINC000021089267 195274039 /nfs/dbraw/zinc/27/40/39/195274039.db2.gz JWEZGNJZDFUJQV-UHFFFAOYSA-N 0 1 485.921 3.574 50 0 JHAAMN CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478442 195343977 /nfs/dbraw/zinc/34/39/77/195343977.db2.gz PNFGLWRIZMCVHR-RUZDIDTESA-N 0 1 462.594 3.551 50 0 JHAAMN CCn1c(CN(C)[C@H]2CCCc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000058170551 195370964 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CCOC(=O)C1CCN(C(=S)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)CC1 ZINC000020153498 555672745 /nfs/dbraw/zinc/67/27/45/555672745.db2.gz HCDQAEUJPLBQDJ-UHFFFAOYSA-N 0 1 469.655 3.657 50 0 JHAAMN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000014077561 555680767 /nfs/dbraw/zinc/68/07/67/555680767.db2.gz YLJYKVYTMLPKOL-UHFFFAOYSA-N 0 1 463.578 3.547 50 0 JHAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000014165099 555718080 /nfs/dbraw/zinc/71/80/80/555718080.db2.gz AGMAKNGMJUZLAG-BJKOFHAPSA-N 0 1 471.557 3.830 50 0 JHAAMN Cn1nc(-c2ccccc2F)c2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)sc21 ZINC000020237897 555732162 /nfs/dbraw/zinc/73/21/62/555732162.db2.gz QUCQSPBIZPROGY-UHFFFAOYSA-N 0 1 477.609 3.989 50 0 JHAAMN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCCCC2)cc1 ZINC000020310826 555769596 /nfs/dbraw/zinc/76/95/96/555769596.db2.gz FOQNBCJLXWDLCX-UHFFFAOYSA-N 0 1 464.591 3.816 50 0 JHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NCc4cccnc4)c3=O)c2c1 ZINC000020329041 555775192 /nfs/dbraw/zinc/77/51/92/555775192.db2.gz QGEOZRJYOKZCBJ-UHFFFAOYSA-N 0 1 451.552 3.821 50 0 JHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NCCc4ccc(C)cc4)c3=O)c2c1 ZINC000020330609 555775967 /nfs/dbraw/zinc/77/59/67/555775967.db2.gz OARGFPGFPOFGLD-UHFFFAOYSA-N 0 1 450.564 3.997 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2n[nH]c(CC3CCCC3)n2)c1 ZINC000011500602 555784415 /nfs/dbraw/zinc/78/44/15/555784415.db2.gz CJFOAALWCYLREU-UHFFFAOYSA-N 0 1 465.645 3.607 50 0 JHAAMN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc(CC3CCCC3)n[nH]2)c1 ZINC000011500602 555784417 /nfs/dbraw/zinc/78/44/17/555784417.db2.gz CJFOAALWCYLREU-UHFFFAOYSA-N 0 1 465.645 3.607 50 0 JHAAMN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000020355853 555784569 /nfs/dbraw/zinc/78/45/69/555784569.db2.gz VOBVVXUFLKOMDS-QGZVFWFLSA-N 0 1 461.540 3.972 50 0 JHAAMN COc1cc(NS(=O)(=O)c2ccc(I)cc2)c(OC)cc1Cl ZINC000011613736 555790485 /nfs/dbraw/zinc/79/04/85/555790485.db2.gz ZRPJGEZNZKKCAV-UHFFFAOYSA-N 0 1 453.685 3.763 50 0 JHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](C)n3c4ccccc4oc3=O)ccc2OC)cc1 ZINC000014329999 555794929 /nfs/dbraw/zinc/79/49/29/555794929.db2.gz GCXUYZZNIUAJEP-HNNXBMFYSA-N 0 1 497.529 3.612 50 0 JHAAMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Cl ZINC000014333586 555794942 /nfs/dbraw/zinc/79/49/42/555794942.db2.gz ZFHFXSKMMNJPBL-OFNKIYASSA-N 0 1 455.986 3.899 50 0 JHAAMN COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000014367885 555800417 /nfs/dbraw/zinc/80/04/17/555800417.db2.gz IRTUIMQFJCOLES-FPTDNZKUSA-N 0 1 472.494 3.802 50 0 JHAAMN Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccccn4)CC2)n3C)cc1 ZINC000020533627 555805248 /nfs/dbraw/zinc/80/52/48/555805248.db2.gz FTSFDSITOBONHC-UHFFFAOYSA-N 0 1 454.578 3.894 50 0 JHAAMN CCOc1ccccc1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000020600200 555841815 /nfs/dbraw/zinc/84/18/15/555841815.db2.gz BUACNXXSSFPFFM-HXUWFJFHSA-N 0 1 451.571 3.845 50 0 JHAAMN COc1cccc(-n2c(CNC(=O)c3[nH]nc4c3CCC4)nnc2SCCc2ccccc2)c1 ZINC000015008034 555852190 /nfs/dbraw/zinc/85/21/90/555852190.db2.gz HWOGUUGAOJZDNP-UHFFFAOYSA-N 0 1 474.590 3.753 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)N3CCC[C@H](C)C3)nc2c1 ZINC000015221480 555885170 /nfs/dbraw/zinc/88/51/70/555885170.db2.gz YWSSFAALFVOCOW-HNNXBMFYSA-N 0 1 475.592 3.988 50 0 JHAAMN CCCn1cc(CN2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)c(C)n1 ZINC000012026332 555886010 /nfs/dbraw/zinc/88/60/10/555886010.db2.gz JAKKQGDBFVISQG-DEOSSOPVSA-N 0 1 450.587 3.961 50 0 JHAAMN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cnn(-c3ccccc3OC)c1)CC2 ZINC000012156787 555928670 /nfs/dbraw/zinc/92/86/70/555928670.db2.gz DISPJCUTWISQNI-QHCPKHFHSA-N 0 1 474.605 3.851 50 0 JHAAMN COc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n[nH]2)c1 ZINC000015680609 555948675 /nfs/dbraw/zinc/94/86/75/555948675.db2.gz OZRVNHKSHXYLOW-UHFFFAOYSA-N 0 1 482.606 3.530 50 0 JHAAMN COCc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000012456039 555981666 /nfs/dbraw/zinc/98/16/66/555981666.db2.gz HIYFSVWDAGTTHS-HXUWFJFHSA-N 0 1 488.617 3.850 50 0 JHAAMN C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000012521064 555991802 /nfs/dbraw/zinc/99/18/02/555991802.db2.gz UGXRVWKJZLEYTG-UHFFFAOYSA-N 0 1 495.601 3.640 50 0 JHAAMN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)[NH+](C)C)cc1 ZINC000012557025 556043753 /nfs/dbraw/zinc/04/37/53/556043753.db2.gz XRAOHCJZJZKLLD-DEOSSOPVSA-N 0 1 467.591 3.837 50 0 JHAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012568439 556069113 /nfs/dbraw/zinc/06/91/13/556069113.db2.gz BVMQBQFBVBRRND-UHFFFAOYSA-N 0 1 489.598 3.906 50 0 JHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959272 556091086 /nfs/dbraw/zinc/09/10/86/556091086.db2.gz FKJSGNLOBVBLTD-ZASNTINBSA-N 0 1 479.580 3.509 50 0 biogenic JHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967621 556093715 /nfs/dbraw/zinc/09/37/15/556093715.db2.gz PNXBTSJDAGGTCW-KYALDGGBSA-N 0 1 485.971 3.546 50 0 biogenic JHAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968564 556094493 /nfs/dbraw/zinc/09/44/93/556094493.db2.gz YMHOBMDDUHXZBH-MVPDCNEZSA-N 0 1 499.998 3.854 50 0 biogenic JHAAMN Cc1ccc(-n2c(CCC(=O)NCC3(N4CCOCC4)CCCCC3)nc3ccccc3c2=O)cc1 ZINC000023872975 556095883 /nfs/dbraw/zinc/09/58/83/556095883.db2.gz BXSKYJKDHVJPPL-UHFFFAOYSA-N 0 1 488.632 3.778 50 0 JHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016013044 556112141 /nfs/dbraw/zinc/11/21/41/556112141.db2.gz HGAQSMIQMSBWGD-UGCAPWQASA-N 0 1 494.389 3.751 50 0 JHAAMN CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000016020885 556113379 /nfs/dbraw/zinc/11/33/79/556113379.db2.gz RWLMVTDXBKNRST-UAKAABGRSA-N 0 1 476.042 3.845 50 0 JHAAMN CC(C)CN1CCO[C@H](CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCC4)C1 ZINC000024294175 556128522 /nfs/dbraw/zinc/12/85/22/556128522.db2.gz KWUIHDJTUUPURB-IRXDYDNUSA-N 0 1 463.669 3.575 50 0 JHAAMN CCCCCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000024582773 556137061 /nfs/dbraw/zinc/13/70/61/556137061.db2.gz CPXUTWNZVYETID-UHFFFAOYSA-N 0 1 461.584 3.851 50 0 JHAAMN CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c1 ZINC000024836585 556159251 /nfs/dbraw/zinc/15/92/51/556159251.db2.gz YDFKCHVTRGMATN-HSZRJFAPSA-N 0 1 459.612 3.804 50 0 JHAAMN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1 ZINC000016847672 556169297 /nfs/dbraw/zinc/16/92/97/556169297.db2.gz GZVMWDATIMGSAV-UHFFFAOYSA-N 0 1 455.478 3.585 50 0 JHAAMN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)c(OC)c1OC ZINC000025070392 556178405 /nfs/dbraw/zinc/17/84/05/556178405.db2.gz CZXPPJVOEGVRLN-UHFFFAOYSA-N 0 1 470.957 3.714 50 0 JHAAMN COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4F)ccc32)cc1 ZINC000016954491 556185708 /nfs/dbraw/zinc/18/57/08/556185708.db2.gz KCKQHHYFJUPVPK-UHFFFAOYSA-N 0 1 494.541 3.916 50 0 JHAAMN COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000017053511 556214047 /nfs/dbraw/zinc/21/40/47/556214047.db2.gz ZEQNQJKJUJGVSW-UHFFFAOYSA-N 0 1 499.531 3.658 50 0 JHAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000025810859 556236878 /nfs/dbraw/zinc/23/68/78/556236878.db2.gz FFHQUJKIHVVPME-QHCPKHFHSA-N 0 1 468.985 3.642 50 0 JHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NC3CCCCC3)[nH]c2=O)cc1 ZINC000017271343 556249954 /nfs/dbraw/zinc/24/99/54/556249954.db2.gz BVPNEHXFEGQCLY-UHFFFAOYSA-N 0 1 463.625 3.899 50 0 JHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)cc2)n1 ZINC000027749654 556305654 /nfs/dbraw/zinc/30/56/54/556305654.db2.gz YSGIQCBRNFPECO-HNNXBMFYSA-N 0 1 491.529 3.817 50 0 JHAAMN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)C1=O ZINC000018206390 556309725 /nfs/dbraw/zinc/30/97/25/556309725.db2.gz UMSGKXNGFQQPBG-VWLOTQADSA-N 0 1 473.558 3.957 50 0 JHAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)n[nH]2)c1 ZINC000013121832 556338936 /nfs/dbraw/zinc/33/89/36/556338936.db2.gz VHKNTWVPKWHNTB-UHFFFAOYSA-N 0 1 478.534 3.551 50 0 JHAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000029022936 556345329 /nfs/dbraw/zinc/34/53/29/556345329.db2.gz AWBRCMPXDHCOQQ-UHFFFAOYSA-N 0 1 469.029 3.902 50 0 JHAAMN CN1CCN(C[C@H](O)COc2ccc3c(c2)occ(Oc2ccc(C(C)(C)C)cc2)c3=O)CC1 ZINC000019367238 556346233 /nfs/dbraw/zinc/34/62/33/556346233.db2.gz PKPJTJQUJNYLTA-FQEVSTJZSA-N 0 1 466.578 3.870 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 ZINC000029570729 556353462 /nfs/dbraw/zinc/35/34/62/556353462.db2.gz GFGHMXRSDVNLOZ-UHFFFAOYSA-N 0 1 462.531 3.863 50 0 JHAAMN COc1cccc(-n2c3nc(SCC(=O)NCc4ccccc4)[nH]c(=O)c3sc2=S)c1 ZINC000032948261 556563164 /nfs/dbraw/zinc/56/31/64/556563164.db2.gz GGQMNDYTJGKZLW-UHFFFAOYSA-N 0 1 470.601 3.922 50 0 JHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000008686636 562952903 /nfs/dbraw/zinc/95/29/03/562952903.db2.gz RNYBDEVQQHXODZ-UHFFFAOYSA-N 0 1 480.498 3.863 50 0 aggregator JHAAMN Cc1[nH]c(SCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)nc1Cc1ccccc1 ZINC000008719823 569597653 /nfs/dbraw/zinc/59/76/53/569597653.db2.gz XEWYZLDLZMKOBU-FQEVSTJZSA-N 0 1 461.653 3.749 50 0 JHAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc1Cc1ccccc1 ZINC000008719892 569597716 /nfs/dbraw/zinc/59/77/16/569597716.db2.gz IIYHFFRSERFAOP-MRXNPFEDSA-N 0 1 458.609 3.679 50 0 JHAAMN CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4cccc(Cl)c4)CC3)=C2C(=O)OC)cc1 ZINC000057415268 569600688 /nfs/dbraw/zinc/60/06/88/569600688.db2.gz IUWODZCDLHZRCS-QHCPKHFHSA-N 0 1 468.985 3.506 50 0 JHAAMN CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CCC(Cc3ccccc3)CC2)C1C(=O)OC ZINC000057415680 569600991 /nfs/dbraw/zinc/60/09/91/569600991.db2.gz ZBOUDLMUXVXHJD-RUZDIDTESA-N 0 1 463.578 3.821 50 0 JHAAMN 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