smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2csc(=NC=C3C(=O)OC4(CCCCC4)OC3=O)[nH]2)cc1 ZINC000035592636 204267162 /nfs/dbraw/zinc/26/71/62/204267162.db2.gz ASHIAZQUJHJNAW-UHFFFAOYSA-N 0 1 384.457 4.175 50 10 GICAMN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)N2CCc3ccccc3C2)cc1 ZINC000035349270 570343547 /nfs/dbraw/zinc/34/35/47/570343547.db2.gz VNSLFONONWXYIM-JOCHJYFZSA-N 0 1 379.548 4.014 50 10 GICAMN Cc1cnc(C)c(-c2ccc([O-])c(C[NH+]3CCN(c4ccccc4C)CC3)c2)n1 ZINC000055072848 570681607 /nfs/dbraw/zinc/68/16/07/570681607.db2.gz SEMUHJFKDRCCMW-UHFFFAOYSA-N 0 1 388.515 4.097 50 10 GICAMN CCc1cc2c(C)cc(=O)oc2c(C[N@@H+](C)Cc2ccc(OC)c(F)c2)c1[O-] ZINC000032719967 570760029 /nfs/dbraw/zinc/76/00/29/570760029.db2.gz WBYBTBNJBAFSLR-UHFFFAOYSA-N 0 1 385.435 4.149 50 10 GICAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000101346730 570820929 /nfs/dbraw/zinc/82/09/29/570820929.db2.gz OLFCDTFNTWWKEJ-WJDWOHSUSA-N 0 1 379.420 4.063 50 10 GICAMN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000017045776 570937993 /nfs/dbraw/zinc/93/79/93/570937993.db2.gz CKGVFVBKQTXKRI-AQTBWJFISA-N 0 1 377.444 4.033 50 10 GICAMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000000980461 203869939 /nfs/dbraw/zinc/86/99/39/203869939.db2.gz CTUINCMDGQEBGP-VQHVLOKHSA-N 0 1 397.308 4.195 50 10 GICAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1Cl ZINC000004471912 204046354 /nfs/dbraw/zinc/04/63/54/204046354.db2.gz NUCBOBSZGXPYCM-ATVHPVEESA-N 0 1 378.815 4.370 50 10 GICAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Br)cn1 ZINC000004945294 204095847 /nfs/dbraw/zinc/09/58/47/204095847.db2.gz IEVQDKYXKYBDBQ-UHFFFAOYSA-N 0 1 397.685 4.105 50 10 GICAMN CCCCN1C(=O)NC(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C1=O ZINC000005047373 204106819 /nfs/dbraw/zinc/10/68/19/204106819.db2.gz MLNVIERGRSPTPG-NBVRZTHBSA-N 0 1 387.439 4.301 50 10 GICAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000005504586 204135675 /nfs/dbraw/zinc/13/56/75/204135675.db2.gz DQSJAGYOKSUYTG-SFQUDFHCSA-N 0 1 375.457 4.232 50 10 GICAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000000954512 570740106 /nfs/dbraw/zinc/74/01/06/570740106.db2.gz UXHWRLDRMVQTIP-SFQUDFHCSA-N 0 1 398.340 4.427 50 10 GICAMN CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000001412521 570990039 /nfs/dbraw/zinc/99/00/39/570990039.db2.gz WWJILNRKFUFMRT-XNTDXEJSSA-N 0 1 388.539 4.418 50 10 GICAMN Cc1cccc(C)c1OC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000003394625 204004354 /nfs/dbraw/zinc/00/43/54/204004354.db2.gz RGFCWQWKWVGKDB-FQEVSTJZSA-N 0 1 381.472 4.044 50 10 GICAMN Cc1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000033332243 206098849 /nfs/dbraw/zinc/09/88/49/206098849.db2.gz AJBJXJSYBWZTQL-JCMHNJIXSA-N 0 1 384.435 4.035 50 10 GICAMN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000033907557 206099555 /nfs/dbraw/zinc/09/95/55/206099555.db2.gz OPOYKSDYXQJOIA-BOPFTXTBSA-N 0 1 375.453 4.456 50 10 GICAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000095276475 206111627 /nfs/dbraw/zinc/11/16/27/206111627.db2.gz AIMDRIGWYIBGNY-PDGQHHTCSA-N 0 1 392.846 4.346 50 10 GICAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC)c1 ZINC000012074793 221148883 /nfs/dbraw/zinc/14/88/83/221148883.db2.gz SKSCJXHJCNFGIP-CQSZACIVSA-N 0 1 389.879 4.158 50 10 GICAMN COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c(OC)c1 ZINC000012074793 221148887 /nfs/dbraw/zinc/14/88/87/221148887.db2.gz SKSCJXHJCNFGIP-CQSZACIVSA-N 0 1 389.879 4.158 50 10 GICAMN COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c(OC)c1 ZINC000012074793 221148890 /nfs/dbraw/zinc/14/88/90/221148890.db2.gz SKSCJXHJCNFGIP-CQSZACIVSA-N 0 1 389.879 4.158 50 10 GICAMN Cc1ccc(COc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000002180315 570277188 /nfs/dbraw/zinc/27/71/88/570277188.db2.gz AJBJXJSYBWZTQL-PXLXIMEGSA-N 0 1 384.435 4.035 50 10 GICAMN CCN(Cc1cc(Br)ccc1O)Cc1cc([N+](=O)[O-])ccc1OC ZINC000072305017 570515115 /nfs/dbraw/zinc/51/51/15/570515115.db2.gz ZGVWDUSOCKXRPE-UHFFFAOYSA-N 0 1 395.253 4.094 50 10 GICAMN Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)c1 ZINC000018063534 570950194 /nfs/dbraw/zinc/95/01/94/570950194.db2.gz KLIKCLJSLJIRCN-JCMHNJIXSA-N 0 1 384.435 4.035 50 10 GICAMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000004739004 204071220 /nfs/dbraw/zinc/07/12/20/204071220.db2.gz REAGICCFPHIAEX-JYRVWZFOSA-N 0 1 391.279 4.133 50 10 GICAMN CCCCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000009245762 204304207 /nfs/dbraw/zinc/30/42/07/204304207.db2.gz CYEVOAAYXHNMPG-PDGQHHTCSA-N 0 1 383.423 4.335 50 10 GICAMN COc1cccc(CN2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)c1O ZINC000036347328 205012384 /nfs/dbraw/zinc/01/23/84/205012384.db2.gz SFTYWZCLBVSTNK-NRFANRHFSA-N 0 1 393.443 4.106 50 10 GICAMN CC(C)C[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096116101 206117278 /nfs/dbraw/zinc/11/72/78/206117278.db2.gz HMSGCODURXTTLR-GFCCVEGCSA-N 0 1 396.395 4.016 50 10 GICAMN Cn1cccc1C=C1C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000059182417 136155641 /nfs/dbraw/zinc/15/56/41/136155641.db2.gz NGUNQARZYRSBJN-YRNVUSSQSA-N 0 1 380.256 4.004 50 10 GICAMN Cc1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)C(=O)NC2=S)c1 ZINC000002287163 136193432 /nfs/dbraw/zinc/19/34/32/136193432.db2.gz DCNDUDLPIAGVEY-UKTHLTGXSA-N 0 1 391.279 4.133 50 10 GICAMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)NC2=S)cc1 ZINC000001104057 570754633 /nfs/dbraw/zinc/75/46/33/570754633.db2.gz AGFTXADPJIYJKQ-CPNJWEJPSA-N 0 1 394.496 4.040 50 10 GICAMN COc1ccccc1NC=C1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000101129603 570815792 /nfs/dbraw/zinc/81/57/92/570815792.db2.gz UHRRVFPLEHMKQE-RVDMUPIBSA-N 0 1 386.249 4.176 50 10 GICAMN COc1ccccc1N=Cc1c(C)[nH]n(-c2ccc(Br)cc2)c1=O ZINC000101129603 570815794 /nfs/dbraw/zinc/81/57/94/570815794.db2.gz UHRRVFPLEHMKQE-RVDMUPIBSA-N 0 1 386.249 4.176 50 10 GICAMN O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2O)N1C[C@H]1CCCO1 ZINC000012562731 570867131 /nfs/dbraw/zinc/86/71/31/570867131.db2.gz BVFZGKDEIXKGDQ-XIKOKIGWSA-N 0 1 393.270 4.445 50 10 GICAMN Oc1c(Cl)cc(Cl)cc1CNc1nc2ccc(Br)cn2n1 ZINC000097105589 570894046 /nfs/dbraw/zinc/89/40/46/570894046.db2.gz VEWGDPJBAZYZFB-UHFFFAOYSA-N 0 1 388.052 4.116 50 10 GICAMN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000001239924 203899923 /nfs/dbraw/zinc/89/99/23/203899923.db2.gz CGMWQQPPAKTDNZ-MHWRWJLKSA-N 0 1 379.416 4.287 50 10 GICAMN Cc1cccc(C)c1OC[C@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000003394621 204003916 /nfs/dbraw/zinc/00/39/16/204003916.db2.gz RGFCWQWKWVGKDB-HXUWFJFHSA-N 0 1 381.472 4.044 50 10 GICAMN CCOc1ccc(S(=O)(=O)Nc2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000028248553 206040672 /nfs/dbraw/zinc/04/06/72/206040672.db2.gz CTLGIFATDQPSAF-UHFFFAOYSA-N 0 1 390.486 4.018 50 10 GICAMN Cc1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)C(=O)NC2=S)cc1C ZINC000033907425 206100121 /nfs/dbraw/zinc/10/01/21/206100121.db2.gz MTMTXAJVUYBVKH-YVLHZVERSA-N 0 1 375.453 4.456 50 10 GICAMN Cc1ccccc1COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000000640751 570213673 /nfs/dbraw/zinc/21/36/73/570213673.db2.gz NSTJDALGTNIWBA-PXLXIMEGSA-N 0 1 384.435 4.035 50 10 GICAMN CCOc1ccc2nc(NCc3ccc(N4CCN(C)CC4)cc3)sc2c1 ZINC000032587222 570511814 /nfs/dbraw/zinc/51/18/14/570511814.db2.gz SPPAKOHOIYOMJO-UHFFFAOYSA-N 0 1 382.533 4.059 50 10 GICAMN CCOC(=O)C(=C(C)NCc1ccccc1)c1cc(O)c(Cl)c(Cl)c1O ZINC000102895559 570869880 /nfs/dbraw/zinc/86/98/80/570869880.db2.gz IXCXXQUMDQONSE-RVDMUPIBSA-N 0 1 396.270 4.489 50 10 GICAMN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2O)o1 ZINC000032099419 570959673 /nfs/dbraw/zinc/95/96/73/570959673.db2.gz USUQHTSAQPSICH-PDGQHHTCSA-N 0 1 389.367 4.367 50 10 GICAMN CN1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000008969370 204293819 /nfs/dbraw/zinc/29/38/19/204293819.db2.gz XCCRDJFYBUQOPI-LICLKQGHSA-N 0 1 393.830 4.275 50 10 GICAMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000069374302 205273911 /nfs/dbraw/zinc/27/39/11/205273911.db2.gz GJONCGJHWMLVOV-OAHLLOKOSA-N 0 1 381.339 4.143 50 10 GICAMN CCN(CC)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCC2CCCCC2)cc1 ZINC000000666458 570215410 /nfs/dbraw/zinc/21/54/10/570215410.db2.gz IUTDZODIHZVCQP-NRFANRHFSA-N 0 1 399.535 4.284 50 10 GICAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1C(C)C ZINC000001278551 570260030 /nfs/dbraw/zinc/26/00/30/570260030.db2.gz LRRIFIIWZNRQQT-RQZCQDPDSA-N 0 1 385.464 4.497 50 10 GICAMN CC(C)c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)NC2=S)cc1 ZINC000006828591 570496143 /nfs/dbraw/zinc/49/61/43/570496143.db2.gz XTYSZFPEPMOKIW-WQRHYEAKSA-N 0 1 389.480 4.123 50 10 GICAMN CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000000862738 570670829 /nfs/dbraw/zinc/67/08/29/570670829.db2.gz JNMSURVBUGTPGL-UHFFFAOYSA-N 0 1 398.528 4.415 50 10 GICAMN CCCN(CCC)c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000004063522 204024935 /nfs/dbraw/zinc/02/49/35/204024935.db2.gz RSGOPVKLWWJKAU-ZHZULCJRSA-N 0 1 397.906 4.428 50 10 GICAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1C(C)C ZINC000015013425 204553559 /nfs/dbraw/zinc/55/35/59/204553559.db2.gz GDKBPYBIFJFDGM-WQRHYEAKSA-N 0 1 395.528 4.134 50 10 GICAMN Cc1ccccc1COc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000000640778 206211156 /nfs/dbraw/zinc/21/11/56/206211156.db2.gz IXJATWTYUVZKHX-RCCKNPSSSA-N 0 1 384.435 4.035 50 10 GICAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000005009988 206215504 /nfs/dbraw/zinc/21/55/04/206215504.db2.gz KZTTYWUCXPAYGZ-JCMHNJIXSA-N 0 1 384.435 4.035 50 10 GICAMN C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(N2CCN(C)CC2)cc1 ZINC000055711032 132446994 /nfs/dbraw/zinc/44/69/94/132446994.db2.gz UIFDYRLXVVGGGE-QGZVFWFLSA-N 0 1 397.950 4.001 50 10 GICAMN Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1 ZINC000000640769 570213656 /nfs/dbraw/zinc/21/36/56/570213656.db2.gz ITMLWGWTDWJSRZ-PXLXIMEGSA-N 0 1 384.435 4.035 50 10 GICAMN Cc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000001302124 570260526 /nfs/dbraw/zinc/26/05/26/570260526.db2.gz DGFRDDMBEFEVRZ-GZTJUZNOSA-N 0 1 375.453 4.158 50 10 GICAMN CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)N2CCc3ccccc3C2)cc1 ZINC000035349244 570343479 /nfs/dbraw/zinc/34/34/79/570343479.db2.gz WXPYUNLFLYASGM-HSZRJFAPSA-N 0 1 393.575 4.404 50 10 GICAMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000017057299 570925597 /nfs/dbraw/zinc/92/55/97/570925597.db2.gz FUTXMERIQQASRF-QGOAFFKASA-N 0 1 376.437 4.201 50 10 GICAMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000019633047 571022083 /nfs/dbraw/zinc/02/20/83/571022083.db2.gz IVDNOHKQPGIADN-UHFFFAOYSA-N 0 1 397.110 4.476 50 10 GICAMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCc2ccccc2C1 ZINC000019633047 571022087 /nfs/dbraw/zinc/02/20/87/571022087.db2.gz IVDNOHKQPGIADN-UHFFFAOYSA-N 0 1 397.110 4.476 50 10 GICAMN CCC[C@@H](C)COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000004043603 204024980 /nfs/dbraw/zinc/02/49/80/204024980.db2.gz JKGCBZXHNUIVLO-QRWLVFNGSA-N 0 1 387.524 4.140 50 10 GICAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4F)o3)C2=O)cc1C ZINC000004460738 204046180 /nfs/dbraw/zinc/04/61/80/204046180.db2.gz MVYORXUTDVMMFU-PDGQHHTCSA-N 0 1 376.387 4.164 50 10 GICAMN COc1ccc(-n2c(C)cc(C(=O)CSc3nc(C(C)C)n[nH]3)c2C)cc1 ZINC000005931851 204157349 /nfs/dbraw/zinc/15/73/49/204157349.db2.gz UXDDBXPODBVIJH-UHFFFAOYSA-N 0 1 384.505 4.319 50 10 GICAMN COc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(C(C)C)n3)c2C)cc1 ZINC000005931851 204157353 /nfs/dbraw/zinc/15/73/53/204157353.db2.gz UXDDBXPODBVIJH-UHFFFAOYSA-N 0 1 384.505 4.319 50 10 GICAMN CCOc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1CO ZINC000011753412 204350965 /nfs/dbraw/zinc/35/09/65/204350965.db2.gz NLVJNBHDUOYCQG-HNNXBMFYSA-N 0 1 383.467 4.062 50 10 GICAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc(F)cc2F)C1)CCC3 ZINC000012389980 204403842 /nfs/dbraw/zinc/40/38/42/204403842.db2.gz GSXTUUIXHVGPRK-INIZCTEOSA-N 0 1 396.393 4.013 50 10 GICAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC)c1 ZINC000012074794 221148730 /nfs/dbraw/zinc/14/87/30/221148730.db2.gz SKSCJXHJCNFGIP-AWEZNQCLSA-N 0 1 389.879 4.158 50 10 GICAMN COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c(OC)c1 ZINC000012074794 221148734 /nfs/dbraw/zinc/14/87/34/221148734.db2.gz SKSCJXHJCNFGIP-AWEZNQCLSA-N 0 1 389.879 4.158 50 10 GICAMN COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c(OC)c1 ZINC000012074794 221148735 /nfs/dbraw/zinc/14/87/35/221148735.db2.gz SKSCJXHJCNFGIP-AWEZNQCLSA-N 0 1 389.879 4.158 50 10 GICAMN CCc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccccc4F)o3)C2=O)cc1 ZINC000000677945 570290134 /nfs/dbraw/zinc/29/01/34/570290134.db2.gz OTAICYPGKMCJPJ-QGOAFFKASA-N 0 1 376.387 4.110 50 10 GICAMN COC(=O)c1cc2ccccc2c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000029886847 570481710 /nfs/dbraw/zinc/48/17/10/570481710.db2.gz ARDYANRFYCWXIA-NRFANRHFSA-N 0 1 395.430 4.045 50 10 GICAMN O=C1NN(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000004470674 570627545 /nfs/dbraw/zinc/62/75/45/570627545.db2.gz CETAPIOFSOFRTB-BOPFTXTBSA-N 0 1 382.778 4.201 50 10 GICAMN Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@H](c2c(F)cccc2Cl)C1 ZINC000012409614 570655622 /nfs/dbraw/zinc/65/56/22/570655622.db2.gz KEIVZUUKCZYFTK-AWEZNQCLSA-N 0 1 386.810 4.347 50 10 GICAMN CC(C)CCN(C)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000210106204 570931123 /nfs/dbraw/zinc/93/11/23/570931123.db2.gz FUAOQDSUXJJJCG-DEDYPNTBSA-N 0 1 397.906 4.284 50 10 GICAMN COc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1Cl ZINC000001201850 817375257 /nfs/dbraw/zinc/37/52/57/817375257.db2.gz FQJPAKMSVFVSIL-FOWTUZBSSA-N 0 1 394.814 4.070 50 10 GICAMN O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000025474452 207304790 /nfs/dbraw/zinc/30/47/90/207304790.db2.gz LPKQOWBXAOLQJC-UHFFFAOYSA-N 0 1 380.875 4.157 50 10 GICAMN CCOC(=O)c1c(C)c(C)sc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100508127 208377102 /nfs/dbraw/zinc/37/71/02/208377102.db2.gz ZEYJXAGLQQJIFN-LFIBNONCSA-N 0 1 383.473 4.260 50 10 GICAMN COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000023243067 208866829 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/nfs/dbraw/zinc/19/61/64/136196164.db2.gz REAGICCFPHIAEX-MDWZMJQESA-N 0 1 391.279 4.133 50 10 GICAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000000830918 527058017 /nfs/dbraw/zinc/05/80/17/527058017.db2.gz GNMYBBZJYXAFKU-LDADJPATSA-N 0 1 397.459 4.152 50 10 GICAMN Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000100502354 570272665 /nfs/dbraw/zinc/27/26/65/570272665.db2.gz BGCVLTRPYRXEMM-UYRXBGFRSA-N 0 1 386.455 4.309 50 10 GICAMN CC(C)OCc1cc(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c2ncccc12 ZINC000006804067 570391873 /nfs/dbraw/zinc/39/18/73/570391873.db2.gz HSSXADRZUDGTHL-UHFFFAOYSA-N 0 1 391.515 4.188 50 10 GICAMN Oc1cc2c(cc1[C@H](c1ccc(Br)cc1)N1CCCC1)OCO2 ZINC000005763586 570455931 /nfs/dbraw/zinc/45/59/31/570455931.db2.gz CNHAVYWPOCSGHE-SFHVURJKSA-N 0 1 376.250 4.069 50 10 GICAMN CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CC)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000526052463 570846196 /nfs/dbraw/zinc/84/61/96/570846196.db2.gz HMIVXETYJNJTAJ-GHTZIAJQSA-N 0 1 398.547 4.147 50 10 GICAMN CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CC)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000526052463 570846199 /nfs/dbraw/zinc/84/61/99/570846199.db2.gz HMIVXETYJNJTAJ-GHTZIAJQSA-N 0 1 398.547 4.147 50 10 GICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000019597184 571021260 /nfs/dbraw/zinc/02/12/60/571021260.db2.gz MIMLYBQSBGCJCK-BKUYFWCQSA-N 0 1 386.455 4.309 50 10 GICAMN CCOC(=O)C(=C(C)NCc1ccccc1)c1cc(O)c(Cl)c(Cl)c1O ZINC000019708233 571033163 /nfs/dbraw/zinc/03/31/63/571033163.db2.gz IXCXXQUMDQONSE-PTNGSMBKSA-N 0 1 396.270 4.489 50 10 GICAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1C1CCCCC1 ZINC000001261818 212231879 /nfs/dbraw/zinc/23/18/79/212231879.db2.gz BEZNITMERCOOHX-XDHOZWIPSA-N 0 1 395.459 4.070 50 10 GICAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)s1 ZINC000001185862 212227091 /nfs/dbraw/zinc/22/70/91/212227091.db2.gz QHYLWTQEGFQCJN-JXMROGBWSA-N 0 1 397.308 4.195 50 10 GICAMN CN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000065364359 536421748 /nfs/dbraw/zinc/42/17/48/536421748.db2.gz LJOOBLVZKJDDRY-UHFFFAOYSA-N 0 1 385.511 4.035 50 10 GICAMN Cc1cccc(COc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000000640782 570279428 /nfs/dbraw/zinc/27/94/28/570279428.db2.gz URSFPGZRYCUTMK-RCCKNPSSSA-N 0 1 384.435 4.035 50 10 GICAMN CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)N2CCc3ccccc3C2)cc1 ZINC000035560540 570396913 /nfs/dbraw/zinc/39/69/13/570396913.db2.gz NXHKRQQTTLHYTN-DEOSSOPVSA-N 0 1 391.559 4.158 50 10 GICAMN CC(C)(C)c1cc(CN2CCN(c3cnccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000026663162 570427560 /nfs/dbraw/zinc/42/75/60/570427560.db2.gz JRIZECGDNNXMEV-UHFFFAOYSA-N 0 1 382.552 4.099 50 10 GICAMN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000005971777 570810576 /nfs/dbraw/zinc/81/05/76/570810576.db2.gz NMQSOKXXPISKHZ-HNNXBMFYSA-N 0 1 384.505 4.165 50 10 GICAMN Cc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)n1-c1ccccc1F ZINC000032800841 570824724 /nfs/dbraw/zinc/82/47/24/570824724.db2.gz NUWVSIWPWIRSLH-FQEVSTJZSA-N 0 1 385.508 4.327 50 10 GICAMN Cc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc([O-])c(C[NH+](C)C)c32)cc1 ZINC000019334535 570976110 /nfs/dbraw/zinc/97/61/10/570976110.db2.gz IZJMWZVDDPBOIN-OUKQBFOZSA-N 0 1 394.475 4.147 50 10 GICAMN Cc1ccc(C)n1-c1ccc(C(=O)NCCn2c(C)cnc2C2CCC2)cc1 ZINC000575555520 823977015 /nfs/dbraw/zinc/97/70/15/823977015.db2.gz ODOIBHNOMXNSFZ-UHFFFAOYSA-N 0 1 376.504 4.297 50 10 GICAMN CCN(CC)c1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCC2CCCCC2)cc1 ZINC000000666462 212170937 /nfs/dbraw/zinc/17/09/37/212170937.db2.gz IUTDZODIHZVCQP-OAQYLSRUSA-N 0 1 399.535 4.284 50 10 GICAMN COc1ccc(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2=O)cc1 ZINC000001317658 212144689 /nfs/dbraw/zinc/14/46/89/212144689.db2.gz SKJUBGSUKIYEJM-OAHLLOKOSA-N 0 1 379.456 4.406 50 10 GICAMN CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000012300466 221177386 /nfs/dbraw/zinc/17/73/86/221177386.db2.gz YAGFPYTUSJXVTH-UHFFFAOYSA-N 0 1 390.915 4.064 50 10 GICAMN Cc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1-c1ccc(C)cc1C ZINC000013124388 221261966 /nfs/dbraw/zinc/26/19/66/221261966.db2.gz IQCCIAHFNGIBEN-NRFANRHFSA-N 0 1 384.487 4.157 50 10 GICAMN Nc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2)cc1 ZINC000023332357 570319679 /nfs/dbraw/zinc/31/96/79/570319679.db2.gz FGJAUZHTDZMZQS-UHFFFAOYSA-N 0 1 382.467 4.298 50 10 GICAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000005009829 570423902 /nfs/dbraw/zinc/42/39/02/570423902.db2.gz XDHMKIICZWMMFX-BKUYFWCQSA-N 0 1 386.455 4.309 50 10 GICAMN CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000005971779 570810589 /nfs/dbraw/zinc/81/05/89/570810589.db2.gz NMQSOKXXPISKHZ-OAHLLOKOSA-N 0 1 384.505 4.165 50 10 GICAMN COC(=O)Cc1c(CSc2ccccc2)oc2ccc([O-])c(C[NH+](C)C)c21 ZINC000002262040 817381897 /nfs/dbraw/zinc/38/18/97/817381897.db2.gz LCPQQYOICPPWPQ-UHFFFAOYSA-N 0 1 385.485 4.208 50 10 GICAMN Cc1cccc2cc(-c3c4c[nH]nc4nc4c5ccc(O)c(O)c5oc43)c(=O)[nH]c12 ZINC000218427747 231031213 /nfs/dbraw/zinc/03/12/13/231031213.db2.gz UVDCIDLIICADGV-UHFFFAOYSA-N 0 1 398.378 4.085 50 10 GICAMN CN1CCCc2cc([C@H](CNC(=O)c3cccs3)N3CCCCC3)ccc21 ZINC000009137693 212164220 /nfs/dbraw/zinc/16/42/20/212164220.db2.gz HNQWKMQYGNYAIP-FQEVSTJZSA-N 0 1 383.561 4.088 50 10 GICAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2cc(F)ccc2F)C1)CCC3 ZINC000012408585 221189643 /nfs/dbraw/zinc/18/96/43/221189643.db2.gz OUUHXXCKTKXJJK-MRXNPFEDSA-N 0 1 396.393 4.013 50 10 GICAMN Cc1ccccc1COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000013893359 221293223 /nfs/dbraw/zinc/29/32/23/221293223.db2.gz IXJATWTYUVZKHX-QNGOZBTKSA-N 0 1 384.435 4.035 50 10 GICAMN Cc1c(Cl)cccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 ZINC000015837811 221346698 /nfs/dbraw/zinc/34/66/98/221346698.db2.gz BAFOYBQEGQIKGA-ATVHPVEESA-N 0 1 378.815 4.370 50 10 GICAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000017079610 221378941 /nfs/dbraw/zinc/37/89/41/221378941.db2.gz LBQVASJTFCYHSO-NDENLUEZSA-N 0 1 390.418 4.140 50 10 GICAMN CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCc3ccccc3C2)cc1 ZINC000035560537 570396824 /nfs/dbraw/zinc/39/68/24/570396824.db2.gz NXHKRQQTTLHYTN-XMMPIXPASA-N 0 1 391.559 4.158 50 10 GICAMN