smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccn2)n1 ZINC000328983249 203845197 /nfs/dbraw/zinc/84/51/97/203845197.db2.gz HFISNMKXUHGRGU-UHFFFAOYSA-N 0 0 369.856 4.274 40 10 FICBRN COc1cccc(C(=O)Nc2c(C)ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000003847601 204111578 /nfs/dbraw/zinc/11/15/78/204111578.db2.gz HOWBFEJFFNXWAG-UHFFFAOYSA-N 0 0 371.392 4.031 40 10 FICBRN Cn1ccc(C=C2SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)c1 ZINC000004745847 204160532 /nfs/dbraw/zinc/16/05/32/204160532.db2.gz SNTJTUHBAIQIHY-PQMHYQBVSA-N 0 0 352.246 4.414 40 10 FICBRN COc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c(OC)c1 ZINC000005371172 204205680 /nfs/dbraw/zinc/20/56/80/204205680.db2.gz KIZPYYWLUPZXPY-YVLHZVERSA-N 0 0 371.483 4.418 40 10 FICBRN Cc1ccccc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000005374773 204205910 /nfs/dbraw/zinc/20/59/10/204205910.db2.gz BDNNRTNNQKANBG-LFIBNONCSA-N 0 0 368.483 4.078 40 10 FICBRN CC(=O)c1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)cc1 ZINC000005374520 204205983 /nfs/dbraw/zinc/20/59/83/204205983.db2.gz NSNAGYBMVWCQHJ-ZDLGFXPLSA-N 0 0 361.426 4.453 40 10 FICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c1 ZINC000005371823 204206206 /nfs/dbraw/zinc/20/62/06/204206206.db2.gz DLGNNHIPFJHSGA-SXGWCWSVSA-N 0 0 357.431 4.434 40 10 FICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3cccc(F)c3)SC2=S)cc1 ZINC000005371787 204206303 /nfs/dbraw/zinc/20/63/03/204206303.db2.gz GTHDBODKAWABMG-YBEGLDIGSA-N 0 0 357.431 4.434 40 10 FICBRN CCOC(=O)C(C(=O)OCC)=S1c2ccccc2Sc2ccccc21 ZINC000005553018 204214197 /nfs/dbraw/zinc/21/41/97/204214197.db2.gz KMRCCDZQVJCYHF-UHFFFAOYSA-N 0 0 374.483 4.137 40 10 FICBRN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc(Cl)c1O ZINC000005745866 204223689 /nfs/dbraw/zinc/22/36/89/204223689.db2.gz QUYVPRLYZBGHFK-NVNXTCNLSA-N 0 0 356.809 4.169 40 10 FICBRN Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000065222435 205326068 /nfs/dbraw/zinc/32/60/68/205326068.db2.gz XNLTVNVTINCSTR-KRWDZBQOSA-N 0 0 369.534 4.188 40 10 FICBRN COC(=O)c1ccc([C@H]2Nc3c(OC)cc(OC)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004151387 206170140 /nfs/dbraw/zinc/17/01/40/206170140.db2.gz KGVKHOAVMFCGOG-ABSDTBQOSA-N 0 0 365.429 4.317 40 10 FICBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004959419 206184807 /nfs/dbraw/zinc/18/48/07/206184807.db2.gz MDGJBZYEXRQXNJ-KSMMKXTCSA-N 0 0 367.361 4.338 40 10 FICBRN COc1ccc2occ(C(=O)c3coc4ccc([O-])c(C[NH+](C)C)c34)c2c1 ZINC000019881247 206328276 /nfs/dbraw/zinc/32/82/76/206328276.db2.gz FGUTYUNHYGUERN-UHFFFAOYSA-N 0 0 365.385 4.186 40 10 FICBRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000222698096 206421576 /nfs/dbraw/zinc/42/15/76/206421576.db2.gz GANGIEBLFDHWJK-HXUWFJFHSA-N 0 0 358.457 4.146 40 10 FICBRN C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000116034104 132247570 /nfs/dbraw/zinc/24/75/70/132247570.db2.gz WPGOMGRLYOQGCV-MRXNPFEDSA-N 0 0 372.896 4.414 40 10 FICBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000140017668 132252042 /nfs/dbraw/zinc/25/20/42/132252042.db2.gz OPYIWNXFUFYIQO-QGZVFWFLSA-N 0 0 369.534 4.188 40 10 FICBRN Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000222756231 132277417 /nfs/dbraw/zinc/27/74/17/132277417.db2.gz MPCZDEFUQZCZQI-RTBURBONSA-N 0 0 366.505 4.488 40 10 FICBRN Fc1cccc(F)c1NC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC000225417220 132284653 /nfs/dbraw/zinc/28/46/53/132284653.db2.gz BGZDYFAFYXEKAD-UHFFFAOYSA-N 0 0 361.461 4.442 40 10 FICBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)nc1 ZINC000225666561 132286008 /nfs/dbraw/zinc/28/60/08/132286008.db2.gz ITYTWBQUBSPFRX-MRXNPFEDSA-N 0 0 354.523 4.428 40 10 FICBRN Cc1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)n1 ZINC000225692439 132286167 /nfs/dbraw/zinc/28/61/67/132286167.db2.gz PNICXECJUHWJCG-OAHLLOKOSA-N 0 0 354.523 4.113 40 10 FICBRN S=C(NCCCN1CCCc2ccccc21)Nc1ccccc1Cl ZINC000225744878 132286247 /nfs/dbraw/zinc/28/62/47/132286247.db2.gz RIBPUZXGVYUQHZ-UHFFFAOYSA-N 0 0 359.926 4.469 40 10 FICBRN CCOc1ccccc1NC(=S)NCCCN1CCCc2ccccc21 ZINC000225745133 132286559 /nfs/dbraw/zinc/28/65/59/132286559.db2.gz AABWGZMFGQIVDX-UHFFFAOYSA-N 0 0 369.534 4.215 40 10 FICBRN COc1ccccc1/C=C/C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113075 263363067 /nfs/dbraw/zinc/36/30/67/263363067.db2.gz CZDTUZIYTUNTQK-SDNWHVSQSA-N 0 0 350.462 4.015 40 10 FICBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000020756323 263381907 /nfs/dbraw/zinc/38/19/07/263381907.db2.gz PBHIUJGONQSIQV-QWQRMKEZSA-N 0 0 367.361 4.338 40 10 FICBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c([N+](=O)[O-])c1 ZINC000408740206 263495141 /nfs/dbraw/zinc/49/51/41/263495141.db2.gz ALWJQICNYGLAKA-MDWZMJQESA-N 0 0 357.749 4.238 40 10 FICBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)cc1OC ZINC000409033564 263518984 /nfs/dbraw/zinc/51/89/84/263518984.db2.gz LZLPJJUEENCRKK-SXGWCWSVSA-N 0 0 365.520 4.260 40 10 FICBRN COCCN1C(=O)/C(=C/c2cn(CC(C)C)c3ccccc23)SC1=S ZINC000409127905 263530975 /nfs/dbraw/zinc/53/09/75/263530975.db2.gz QZBKJFJTBKYNPW-YVLHZVERSA-N 0 0 374.531 4.145 40 10 FICBRN COc1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)c1OC ZINC000409172838 263537362 /nfs/dbraw/zinc/53/73/62/263537362.db2.gz FZKRKZRMPAXYJV-FHSNZYRGSA-N 0 0 352.390 4.439 40 10 FICBRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000020107237 522880760 /nfs/dbraw/zinc/88/07/60/522880760.db2.gz GUNVCVXPIXIUBA-NRFANRHFSA-N 0 0 352.478 4.069 40 10 FICBRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000020458713 523040559 /nfs/dbraw/zinc/04/05/59/523040559.db2.gz YLWKUYKFLDCWJC-JOCHJYFZSA-N 0 0 366.505 4.377 40 10 FICBRN COc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218168396 537000233 /nfs/dbraw/zinc/00/02/33/537000233.db2.gz JXUWOROHXMLAHS-SJORKVTESA-N 0 0 352.478 4.423 40 10 FICBRN COc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(OC)c3)c2)cc1 ZINC000216726927 568136821 /nfs/dbraw/zinc/13/68/21/568136821.db2.gz FEFXGQFRLSAMII-NRFANRHFSA-N 0 0 350.418 4.030 40 10 FICBRN CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(OC)cc2)c1 ZINC000216728399 568136857 /nfs/dbraw/zinc/13/68/57/568136857.db2.gz AYKMDRJPUYAXNK-JOCHJYFZSA-N 0 0 364.445 4.420 40 10 FICBRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000222698156 568555061 /nfs/dbraw/zinc/55/50/61/568555061.db2.gz GANGIEBLFDHWJK-FQEVSTJZSA-N 0 0 358.457 4.146 40 10 FICBRN COc1cc(N2N=C(C)C(=CNc3ccccc3C)C2=O)ccc1Cl ZINC000408527492 570508180 /nfs/dbraw/zinc/50/81/80/570508180.db2.gz DPALJODVZAXUTR-PTNGSMBKSA-N 0 0 355.825 4.376 40 10 FICBRN CCOc1c(Cl)cc(C[C@@H]2SC(=S)N(CC)C2=O)cc1Cl ZINC000006952500 570575379 /nfs/dbraw/zinc/57/53/79/570575379.db2.gz WUUPVMNLGGMRTR-NSHDSACASA-N 0 0 364.319 4.183 40 10 FICBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC1=S ZINC000408601667 570579345 /nfs/dbraw/zinc/57/93/45/570579345.db2.gz LIBJADOWPUHZKH-ZSOIEALJSA-N 0 0 351.399 4.446 40 10 FICBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000408760936 570620551 /nfs/dbraw/zinc/62/05/51/570620551.db2.gz BCSNWWHMYNVVLS-XSFVSMFZSA-N 0 0 358.372 4.366 40 10 FICBRN Cc1cccc(C(=O)N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1 ZINC000408719772 570674727 /nfs/dbraw/zinc/67/47/27/570674727.db2.gz RIQSCORRDRXGKM-XNTDXEJSSA-N 0 0 357.431 4.176 40 10 FICBRN COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(F)cc2)cc1 ZINC000408755646 570690830 /nfs/dbraw/zinc/69/08/30/570690830.db2.gz RPOQVIAHKWCQNP-CPNJWEJPSA-N 0 0 362.360 4.262 40 10 FICBRN COc1ccccc1C1=N/C(=C/c2ccco2)C(=O)N1c1ccc(C)cc1 ZINC000408840113 570690851 /nfs/dbraw/zinc/69/08/51/570690851.db2.gz BDUILTUUSWLJRB-XMHGGMMESA-N 0 0 358.397 4.431 40 10 FICBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408969899 570705080 /nfs/dbraw/zinc/70/50/80/570705080.db2.gz WNQHJLLXKBIWDI-QINSGFPZSA-N 0 0 360.335 4.434 40 10 FICBRN CCOC(=O)C1=C(C)N=C2SC=C(CC)N2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408985816 570707737 /nfs/dbraw/zinc/70/77/37/570707737.db2.gz BBSGZBRHTPSELY-GOSISDBHSA-N 0 0 371.506 4.301 40 10 FICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000409022211 570713851 /nfs/dbraw/zinc/71/38/51/570713851.db2.gz JMYKYWUKPXCPAS-MOSHPQCFSA-N 0 0 361.441 4.489 40 10 FICBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCCOC(C)C ZINC000103917627 570772749 /nfs/dbraw/zinc/77/27/49/570772749.db2.gz DLRWGMDNXKPKEO-CYVLTUHYSA-N 0 0 361.461 4.007 40 10 FICBRN O=C1/C(=C\c2ccccc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 ZINC000013406274 570777625 /nfs/dbraw/zinc/77/76/25/570777625.db2.gz MENIDHWXYACBAM-HKWRFOASSA-N 0 0 369.380 4.429 40 10 FICBRN Cc1ccccc1CSCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000013631815 570781301 /nfs/dbraw/zinc/78/13/01/570781301.db2.gz AEJIUAJJADTYPT-UHFFFAOYSA-N 0 0 354.519 4.145 40 10 FICBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013675070 570784219 /nfs/dbraw/zinc/78/42/19/570784219.db2.gz WSCHUMMTGVZXOU-UHFFFAOYSA-N 0 0 373.840 4.169 40 10 FICBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(F)c1 ZINC000014406596 570854458 /nfs/dbraw/zinc/85/44/58/570854458.db2.gz QKLHERQHNVWGCH-UYRXBGFRSA-N 0 0 365.404 4.401 40 10 FICBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c1 ZINC000016663607 570860020 /nfs/dbraw/zinc/86/00/20/570860020.db2.gz ZJBQYIRLKJKSDD-GZTJUZNOSA-N 0 0 371.483 4.418 40 10 FICBRN COc1cccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1 ZINC000020058207 570909484 /nfs/dbraw/zinc/90/94/84/570909484.db2.gz PFUYSABXOOQSBD-MDZRGWNJSA-N 0 0 352.390 4.439 40 10 FICBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000224494959 570991423 /nfs/dbraw/zinc/99/14/23/570991423.db2.gz QHEPQZAWBVWFJR-OAHLLOKOSA-N 0 0 360.885 4.270 40 10 FICBRN Fc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1Cl ZINC000225559882 571045481 /nfs/dbraw/zinc/04/54/81/571045481.db2.gz URZQMPVOZPSORZ-UHFFFAOYSA-N 0 0 363.889 4.218 40 10 FICBRN C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCCC2)cc1 ZINC000225694573 571056492 /nfs/dbraw/zinc/05/64/92/571056492.db2.gz OIOJSPHWZYBFFD-AWEZNQCLSA-N 0 0 369.490 4.063 40 10 FICBRN CC(C)Oc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 ZINC000225748699 571062028 /nfs/dbraw/zinc/06/20/28/571062028.db2.gz YXHAPOXYXXXDRG-UHFFFAOYSA-N 0 0 357.523 4.287 40 10 FICBRN COc1ccc(OC)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000033560478 571084823 /nfs/dbraw/zinc/08/48/23/571084823.db2.gz BBARFFNCGSYIHI-LFIBNONCSA-N 0 0 363.504 4.238 40 10 FICBRN COc1ccc(Cl)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000041108534 571107553 /nfs/dbraw/zinc/10/75/53/571107553.db2.gz BHZIGIBQCTYBFV-ZSOIEALJSA-N 0 0 365.863 4.343 40 10 FICBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N(C)C)cc3)N21 ZINC000260775027 571122875 /nfs/dbraw/zinc/12/28/75/571122875.db2.gz OVJXOHDEYYPLFV-LZQZEXGQSA-N 0 0 352.507 4.127 40 10 FICBRN Cc1ccc(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000260790583 571123072 /nfs/dbraw/zinc/12/30/72/571123072.db2.gz DLJPFEIACNCFDH-SFHVURJKSA-N 0 0 350.506 4.399 40 10 FICBRN O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1c1ccc(O)cc1 ZINC000054360772 571214593 /nfs/dbraw/zinc/21/45/93/571214593.db2.gz OLDAHVCQMFXKQX-BOPFTXTBSA-N 0 0 364.451 4.346 40 10 FICBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000226882745 571278605 /nfs/dbraw/zinc/27/86/05/571278605.db2.gz LIIXGWPYCPCZFK-SIFCLUCFSA-N 0 0 365.429 4.317 40 10 FICBRN C=CCN1C(=O)/C(=C/c2cc(F)c(N3CCCC3)cc2C)SC1=S ZINC000033728920 571309842 /nfs/dbraw/zinc/30/98/42/571309842.db2.gz VYHXBHFJJSHQKY-WJDWOHSUSA-N 0 0 362.495 4.122 40 10 FICBRN CN(Cc1cc(Br)ccc1O)C(=O)Oc1ccc(Cl)cc1 ZINC000003851235 204112001 /nfs/dbraw/zinc/11/20/01/204112001.db2.gz FATPJDZQQVQHKP-UHFFFAOYSA-N 0 0 370.630 4.439 40 10 FICBRN Cc1cccc(NC=C2SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000004091810 204120662 /nfs/dbraw/zinc/12/06/62/204120662.db2.gz RQUXNNAWGBZTML-GHRIWEEISA-N 0 0 354.500 4.351 40 10 FICBRN O=C(Nc1cccc2c1C(=O)c1ccc(Cl)cc1C2=O)c1ccccc1 ZINC000004792030 204163953 /nfs/dbraw/zinc/16/39/53/204163953.db2.gz LRZQPQJEYDUCKH-UHFFFAOYSA-N 0 0 361.784 4.368 40 10 FICBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 ZINC000005372013 204205391 /nfs/dbraw/zinc/20/53/91/204205391.db2.gz SLCRSMGFBOCCBO-BOPFTXTBSA-N 0 0 371.483 4.369 40 10 FICBRN COc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 ZINC000005371325 204205639 /nfs/dbraw/zinc/20/56/39/204205639.db2.gz ITODGFKAJNNABJ-YVLHZVERSA-N 0 0 369.467 4.304 40 10 FICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1 ZINC000005371756 204206308 /nfs/dbraw/zinc/20/63/08/204206308.db2.gz NHGZQVRTWUSWQB-YBEGLDIGSA-N 0 0 357.431 4.434 40 10 FICBRN C[NH+](C)Cc1c2c(ccc1[O-])occ2C(=O)c1cccc(Br)c1 ZINC000005319109 204202471 /nfs/dbraw/zinc/20/24/71/204202471.db2.gz SAGWSTPJPNFXQP-UHFFFAOYSA-N 0 0 374.234 4.194 40 10 FICBRN COCCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000009189304 204356617 /nfs/dbraw/zinc/35/66/17/204356617.db2.gz COAYWKUQRHEODE-WQLSENKSSA-N 0 0 362.303 4.231 40 10 FICBRN C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3Br)S2)C1 ZINC000013547472 204535150 /nfs/dbraw/zinc/53/51/50/204535150.db2.gz TYLQTJVQGSRBNQ-HOXUKUGESA-N 0 0 365.296 4.151 40 10 FICBRN CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000044903663 205114996 /nfs/dbraw/zinc/11/49/96/205114996.db2.gz DYARGCZYMFXMCA-HXUWFJFHSA-N 0 0 352.478 4.069 40 10 FICBRN C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000055031355 205204950 /nfs/dbraw/zinc/20/49/50/205204950.db2.gz MBRDKMVQLAQSMB-QDGJQWLKSA-N 0 0 365.521 4.046 40 10 FICBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000065222499 205325286 /nfs/dbraw/zinc/32/52/86/205325286.db2.gz OPYIWNXFUFYIQO-KRWDZBQOSA-N 0 0 369.534 4.188 40 10 FICBRN COc1ccc(OC)c([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1 ZINC000004959402 206185585 /nfs/dbraw/zinc/18/55/85/206185585.db2.gz FSSAHBHDIHXPML-AVYPCKFXSA-N 0 0 352.390 4.439 40 10 FICBRN CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000005947721 206240453 /nfs/dbraw/zinc/24/04/53/206240453.db2.gz YRQBQOZBTIWTIG-GZTJUZNOSA-N 0 0 365.433 4.033 40 10 FICBRN COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000013389133 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CCOc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1 ZINC000001636429 204015015 /nfs/dbraw/zinc/01/50/15/204015015.db2.gz BOMLWVXIGKCJOI-UHFFFAOYSA-N 0 0 350.399 4.061 40 10 FICBRN COc1cccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1 ZINC000005371307 204205458 /nfs/dbraw/zinc/20/54/58/204205458.db2.gz QHQKONCWIYNNHC-BOPFTXTBSA-N 0 0 369.467 4.304 40 10 FICBRN Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 ZINC000005548067 204214887 /nfs/dbraw/zinc/21/48/87/204214887.db2.gz MMHYLETVWKHJDQ-SXGWCWSVSA-N 0 0 355.440 4.130 40 10 FICBRN Cc1ccc(/C=C/C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 ZINC000005618380 204218853 /nfs/dbraw/zinc/21/88/53/204218853.db2.gz GDRZJKKHDOWFOX-VAWYXSNFSA-N 0 0 357.365 4.015 40 10 FICBRN O=C1N=C(N2CCCC2)S/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000009188843 204356832 /nfs/dbraw/zinc/35/68/32/204356832.db2.gz YZEVXPHLIKRZAW-RGEXLXHISA-N 0 0 364.470 4.332 40 10 FICBRN Cc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1 ZINC000009188350 204357125 /nfs/dbraw/zinc/35/71/25/204357125.db2.gz 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CCCCNC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 ZINC000112116962 263451795 /nfs/dbraw/zinc/45/17/95/263451795.db2.gz IBFSQXPEQGPQKJ-SILNSSARSA-N 0 0 363.461 4.110 40 10 FICBRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000019932286 522867080 /nfs/dbraw/zinc/86/70/80/522867080.db2.gz GFHKYCAEDGPGSK-NRFANRHFSA-N 0 0 366.505 4.377 40 10 FICBRN CCN(CC)c1ccc(CNC(=O)CCSCc2ccccc2)cc1 ZINC000223265628 568631660 /nfs/dbraw/zinc/63/16/60/568631660.db2.gz NTXZWLMGTRFXAG-UHFFFAOYSA-N 0 0 356.535 4.473 40 10 FICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(F)c1 ZINC000408586613 570566402 /nfs/dbraw/zinc/56/64/02/570566402.db2.gz OEYNQLKNPNPIFX-UNOMPAQXSA-N 0 0 365.404 4.320 40 10 FICBRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260467454 570629051 /nfs/dbraw/zinc/62/90/51/570629051.db2.gz XGDDGXWBZWXPMU-JKSUJKDBSA-N 0 0 367.449 4.322 40 10 FICBRN COc1cccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260466069 570629091 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