smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1cccc2ccccc21 ZINC000004803994 204077188 /nfs/dbraw/zinc/07/71/88/204077188.db2.gz ODFCTYDPHSIVTI-QURGRASLSA-N -1 0 378.409 5.361 40 10 GKCBRM CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2cc(C(=O)[O-])ccc2C)C1=O ZINC000005372208 204129759 /nfs/dbraw/zinc/12/97/59/204129759.db2.gz PKNRAWFVDITLCN-IWIADCQQSA-N -1 0 395.505 5.045 40 10 GKCBRM O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000006898585 204222682 /nfs/dbraw/zinc/22/26/82/204222682.db2.gz CDFBCFRPHJIXNL-JJRVBVJISA-N -1 0 388.236 5.113 40 10 GKCBRM Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000224137892 206013699 /nfs/dbraw/zinc/01/36/99/206013699.db2.gz ZPXFTGHTNDXBSH-UHFFFAOYSA-N -1 0 399.324 5.226 40 10 GKCBRM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000002220200 206211864 /nfs/dbraw/zinc/21/18/64/206211864.db2.gz MRWNMQZKHYACBW-ONDHQXCVSA-N -1 0 387.439 5.188 40 10 GKCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000100510897 208377164 /nfs/dbraw/zinc/37/71/64/208377164.db2.gz AXVBGVCPYCWTMW-FYTMPNSFSA-N -1 0 389.484 5.302 40 10 GKCBRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl ZINC000408943129 534495002 /nfs/dbraw/zinc/49/50/02/534495002.db2.gz HBGPJVXMHVNKIE-UHFFFAOYSA-N -1 0 394.685 6.122 40 10 GKCBRM CC(=Nc1ccc(Cl)cc1Cl)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000112120367 527540265 /nfs/dbraw/zinc/54/02/65/527540265.db2.gz FIPNNANXQDJEDG-YVLHZVERSA-N -1 0 378.234 5.241 40 10 GKCBRM CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(Cl)cc(Cl)c1 ZINC000103918785 528067139 /nfs/dbraw/zinc/06/71/39/528067139.db2.gz BKQPLDVCNJPRMD-UYRXBGFRSA-N -1 0 388.298 5.882 40 10 GKCBRM CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Cl ZINC000112122409 528067165 /nfs/dbraw/zinc/06/71/65/528067165.db2.gz DMPSMSMZAXEJSR-UYRXBGFRSA-N -1 0 388.298 5.882 40 10 GKCBRM CCCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1OCC ZINC000408736028 528722238 /nfs/dbraw/zinc/72/22/38/528722238.db2.gz ARRZFFJGSRRBEW-STSQHVNTSA-N -1 0 393.483 5.399 40 10 GKCBRM O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])c3ccccc23)c2ccccc21 ZINC000104177179 570298501 /nfs/dbraw/zinc/29/85/01/570298501.db2.gz GOLZWFYDAGUDPO-DQRAZIAOSA-N -1 0 378.409 5.361 40 10 GKCBRM S=C([N-]c1ccc(N=Nc2ccccc2)cc1)SCc1ccc(Cl)cc1 ZINC000104198460 570299131 /nfs/dbraw/zinc/29/91/31/570299131.db2.gz SGGYKBJVRBANNQ-VHXPQNKSSA-N -1 0 397.956 7.386 40 10 GKCBRM O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1cccc2ccccc21 ZINC000104366377 570301979 /nfs/dbraw/zinc/30/19/79/570301979.db2.gz ODFCTYDPHSIVTI-DQRAZIAOSA-N -1 0 378.409 5.361 40 10 GKCBRM O=C1C=Cc2ccccc2C1=NNc1ccc2cc(S(=O)(=O)[O-])ccc2c1 ZINC000104366859 570301981 /nfs/dbraw/zinc/30/19/81/570301981.db2.gz DBTUZDYJZHBAIO-DQRAZIAOSA-N -1 0 378.409 5.361 40 10 GKCBRM O=C1c2cccc(S(=O)(=O)[O-])c2C=CC1=NNc1cccc2ccccc21 ZINC000004803991 570406332 /nfs/dbraw/zinc/40/63/32/570406332.db2.gz AMEWLVLJCCOGDI-QURGRASLSA-N -1 0 378.409 5.361 40 10 GKCBRM O=C1C=Cc2ccccc2C1=NNc1cccc2c1cccc2S(=O)(=O)[O-] ZINC000004803992 570406364 /nfs/dbraw/zinc/40/63/64/570406364.db2.gz QIZRCENQVIEEOG-QURGRASLSA-N -1 0 378.409 5.361 40 10 GKCBRM CCCCN(CCCC)c1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004824623 570409135 /nfs/dbraw/zinc/40/91/35/570409135.db2.gz DANYDKIZJCAJNC-QURGRASLSA-N -1 0 389.521 5.755 40 10 GKCBRM Cc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)S2)cc1 ZINC000035240249 570431136 /nfs/dbraw/zinc/43/11/36/570431136.db2.gz DXXIQQYVRIIIAL-RIYZIHGNSA-N -1 0 379.268 5.090 40 10 GKCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000100510981 570709240 /nfs/dbraw/zinc/70/92/40/570709240.db2.gz HPYOCRAJBQGYEP-SMIQVMJNSA-N -1 0 389.484 5.302 40 10 GKCBRM O=C1C=Cc2ccccc2C1=NNc1ccc2cc(S(=O)(=O)[O-])ccc2c1 ZINC000004804157 570995634 /nfs/dbraw/zinc/99/56/34/570995634.db2.gz DBTUZDYJZHBAIO-QURGRASLSA-N -1 0 378.409 5.361 40 10 GKCBRM O=C1C=Cc2ccccc2C1=NNc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC000095544266 571093755 /nfs/dbraw/zinc/09/37/55/571093755.db2.gz COUYJSSQPKTVIQ-DQRAZIAOSA-N -1 0 378.409 5.361 40 10 in-vitro GKCBRM O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1C1CCCCC1 ZINC000113834885 231022125 /nfs/dbraw/zinc/02/21/25/231022125.db2.gz JIJAYYLFVCPFIZ-MDWZMJQESA-N -1 0 388.341 5.233 40 10 GKCBRM O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@@H]2C=CC[C@@H]21 ZINC000409150216 231172338 /nfs/dbraw/zinc/17/23/38/231172338.db2.gz AVTWZBFRFJBZJU-VGTOOOLASA-N -1 0 393.792 5.884 40 10 GKCBRM Cc1cc(C)c(OCCn2c(CCC(=O)[O-])ccc2-c2cccs2)c(C)c1 ZINC000409377516 231197466 /nfs/dbraw/zinc/19/74/66/231197466.db2.gz HQTXTWWJVOLOKG-UHFFFAOYSA-N -1 0 383.513 5.238 40 10 GKCBRM O=C([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409170412 231174747 /nfs/dbraw/zinc/17/47/47/231174747.db2.gz VNHMNTMCBRAUSQ-IGCXYCKISA-N -1 0 393.792 5.884 40 10 GKCBRM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000409170327 231174843 /nfs/dbraw/zinc/17/48/43/231174843.db2.gz UJABEQYGHWVVSW-SPYBWZPUSA-N -1 0 384.273 5.282 40 10 GKCBRM CN1C(=O)/C(=C\c2ccc(/N=N/c3cccc(Cl)c3)cc2[O-])SC1=S ZINC000408731265 530039660 /nfs/dbraw/zinc/03/96/60/530039660.db2.gz ZVRLEYOWICEZKP-KGIQIDGLSA-N -1 0 389.889 5.292 40 10 GKCBRM O=S(=O)([O-])c1c(N=Nc2c(O)ccc3ccccc32)ccc2ccccc21 ZINC000017147526 204609791 /nfs/dbraw/zinc/60/97/91/204609791.db2.gz SRPCPRSDICCCRQ-DQRAZIAOSA-N -1 0 378.409 5.361 40 10 GKCBRM O=C1C=Cc2ccccc2C1=NNc1cccc2ccc(S(=O)(=O)[O-])cc21 ZINC000017303136 204610808 /nfs/dbraw/zinc/61/08/08/204610808.db2.gz UPGVWHSKEQRCTQ-DQRAZIAOSA-N -1 0 378.409 5.361 40 10 GKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N3C[C@H]1CC=C[C@H]21 ZINC000004117460 206503386 /nfs/dbraw/zinc/50/33/86/206503386.db2.gz XPWUMPZXMZMOQI-UECAXCCHSA-N -1 0 387.454 5.418 40 10 GKCBRM CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccc(C)c(C(=O)[O-])c2)C1=O ZINC000005374273 206609129 /nfs/dbraw/zinc/60/91/29/206609129.db2.gz XJFWISATAVUEFX-IWIADCQQSA-N -1 0 395.505 5.045 40 10 GKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1C(=O)[O-] ZINC000005374251 220862949 /nfs/dbraw/zinc/86/29/49/220862949.db2.gz AIYAGQFDCGKWGM-ZDLGFXPLSA-N -1 0 397.521 5.222 40 10 GKCBRM COc1ccc(-n2[n-]c(C)c(C(C)=Nc3cc(Cl)ccc3Cl)c2=O)cc1 ZINC000112122818 534020060 /nfs/dbraw/zinc/02/00/60/534020060.db2.gz GAGWZDFYBIXUFF-WQRHYEAKSA-N -1 0 390.270 5.111 40 10 GKCBRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1Cl ZINC000408940318 534496198 /nfs/dbraw/zinc/49/61/98/534496198.db2.gz CCPNHMSLUFYZHU-UHFFFAOYSA-N -1 0 394.685 6.122 40 10 GKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000408837401 534542939 /nfs/dbraw/zinc/54/29/39/534542939.db2.gz DUSNKDLQDURYAQ-MMOPVJDHSA-N -1 0 375.855 6.018 40 10 GKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000408862692 534542416 /nfs/dbraw/zinc/54/24/16/534542416.db2.gz LJEXLVAWILUPPU-BWACUDIHSA-N -1 0 393.792 5.884 40 10 GKCBRM O=C1C=Cc2ccccc2C1=NNc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC000003954010 560191631 /nfs/dbraw/zinc/19/16/31/560191631.db2.gz COUYJSSQPKTVIQ-QURGRASLSA-N -1 0 378.409 5.361 40 10 in-vitro GKCBRM C[NH+](Cc1cc(Cl)cc(Cl)c1[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000001733727 570267440 /nfs/dbraw/zinc/26/74/40/570267440.db2.gz NHTZFCKJUSZPBE-UHFFFAOYSA-N -1 0 381.086 5.343 40 10 GKCBRM COc1ccc(CSC(=S)[N-]c2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000104198561 570299111 /nfs/dbraw/zinc/29/91/11/570299111.db2.gz QHJDLZJILYDVIS-VHXPQNKSSA-N -1 0 393.537 6.741 40 10 GKCBRM Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000058850447 570648141 /nfs/dbraw/zinc/64/81/41/570648141.db2.gz LVBMQQZODDYMOC-UHFFFAOYSA-N -1 0 395.311 5.202 40 10 GKCBRM Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000058850398 570648253 /nfs/dbraw/zinc/64/82/53/570648253.db2.gz OPVBUTULSFWHRK-UHFFFAOYSA-N -1 0 376.481 5.048 40 10 GKCBRM Cc1cccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000058928730 570649261 /nfs/dbraw/zinc/64/92/61/570649261.db2.gz NVZSCHOFALPRMP-VKJFTORMSA-N -1 0 384.273 5.282 40 10 GKCBRM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000006707041 570749271 /nfs/dbraw/zinc/74/92/71/570749271.db2.gz VLXMYNIEYDSHOQ-UHFFFAOYSA-N -1 0 380.494 5.073 40 10 GKCBRM O=C1/C(=C\c2cc(Cl)cc(Cl)c2[O-])SC(=S)N1c1ccccc1 ZINC000016488339 570926118 /nfs/dbraw/zinc/92/61/18/570926118.db2.gz LHDIUPOQSHMUNE-NTUHNPAUSA-N -1 0 382.293 5.105 40 10 GKCBRM Cc1c(Cl)cc(S(=O)(=O)[O-])cc1NN=C1C=CC(=O)c2ccccc21 ZINC000017352436 570946070 /nfs/dbraw/zinc/94/60/70/570946070.db2.gz UHSVKBLZRFZWDV-VXPUYCOJSA-N -1 0 376.821 5.169 40 10 GKCBRM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409156622 231172840 /nfs/dbraw/zinc/17/28/40/231172840.db2.gz LCZZPUGTULNOIO-YHTYYEMMSA-N -1 0 394.685 6.172 40 10 GKCBRM O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000409155080 231173007 /nfs/dbraw/zinc/17/30/07/231173007.db2.gz LOBOIBFEUNNIMZ-FJHFEUQMSA-N -1 0 394.685 6.172 40 10 GKCBRM Cc1cc(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c(N)cc1N ZINC000004523158 204050993 /nfs/dbraw/zinc/05/09/93/204050993.db2.gz LNPJMIMLAFXLSJ-OGGGYYITSA-N -1 0 390.403 5.394 40 10 GKCBRM Cc1cc(N=Nc2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)c(N)cc1N ZINC000104366930 205649946 /nfs/dbraw/zinc/64/99/46/205649946.db2.gz LNPJMIMLAFXLSJ-MJPLYFDISA-N -1 0 390.403 5.394 40 10 GKCBRM O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)C=C1 ZINC000104366786 205650217 /nfs/dbraw/zinc/65/02/17/205650217.db2.gz PZADWXKETSWYQZ-OLAQIDGISA-N -1 0 382.401 5.470 40 10 GKCBRM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000059267092 222056304 /nfs/dbraw/zinc/05/63/04/222056304.db2.gz ZFLZNXTWCFTHTD-GJYPPUQNSA-N -1 0 384.273 5.282 40 10 GKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000096006230 222371768 /nfs/dbraw/zinc/37/17/68/222371768.db2.gz FGOPMGITXBWZFJ-CPUCHLNUSA-N -1 0 393.792 5.884 40 10 GKCBRM COc1ccc(-n2[n-]c(C)c(C(C)=Nc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000112122805 534020828 /nfs/dbraw/zinc/02/08/28/534020828.db2.gz KNZCNKVYGKWITI-WQRHYEAKSA-N -1 0 390.270 5.111 40 10 GKCBRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(Cl)cc(Cl)c1 ZINC000408950917 534494985 /nfs/dbraw/zinc/49/49/85/534494985.db2.gz SPYXRAAHDWCTCO-UHFFFAOYSA-N -1 0 394.685 6.122 40 10 GKCBRM O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cc(Cl)cc(Cl)c1 ZINC000408952130 534496906 /nfs/dbraw/zinc/49/69/06/534496906.db2.gz VNLKKAVWUOKRQR-UHFFFAOYSA-N -1 0 378.230 5.607 40 10 GKCBRM O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccc(Oc2ccccc2)cc1 ZINC000408946381 534497293 /nfs/dbraw/zinc/49/72/93/534497293.db2.gz MOHXCTBQQSJFAB-UHFFFAOYSA-N -1 0 389.476 6.015 40 10 GKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 ZINC000408857969 534543378 /nfs/dbraw/zinc/54/33/78/534543378.db2.gz HYSLLVLCVQFKGP-LIBAHTEVSA-N -1 0 394.685 6.172 40 10 GKCBRM Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)c1 ZINC000408949496 534563274 /nfs/dbraw/zinc/56/32/74/534563274.db2.gz RCCBJXMBIGZHHA-UHFFFAOYSA-N -1 0 384.273 5.232 40 10 GKCBRM CC(C)(C)c1ccc(OCCn2c(CCC(=O)[O-])ccc2-c2cccs2)cc1 ZINC000409375456 526786285 /nfs/dbraw/zinc/78/62/85/526786285.db2.gz KXTARPCRQUYFTH-UHFFFAOYSA-N -1 0 397.540 5.610 40 10 GKCBRM CC(C)(C)c1ccc(OCCn2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1 ZINC000409379529 526786451 /nfs/dbraw/zinc/78/64/51/526786451.db2.gz XGRXRUXYIHNWCF-UHFFFAOYSA-N -1 0 391.511 5.549 40 10 GKCBRM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccc1OCC ZINC000112121162 528065386 /nfs/dbraw/zinc/06/53/86/528065386.db2.gz ZUQKFRQAMLLBGT-QNGOZBTKSA-N -1 0 381.451 5.113 40 10 GKCBRM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000005740843 570454565 /nfs/dbraw/zinc/45/45/65/570454565.db2.gz VUCNPONLGHRDNO-KEYYUXOJSA-N -1 0 388.236 5.113 40 10 GKCBRM O=C([O-])c1ccc(Cn2c(-c3ccccc3)csc2=Nc2ccccc2)cc1 ZINC000002358619 570589228 /nfs/dbraw/zinc/58/92/28/570589228.db2.gz HGDUJDKPEPQLSD-UHFFFAOYSA-O -1 0 387.484 5.193 40 10 GKCBRM Cc1ccc([O-])c([N+](=O)[N-]c2ccccc2NN=C2C(=O)C=Cc3ccccc32)c1 ZINC000004718908 570636372 /nfs/dbraw/zinc/63/63/72/570636372.db2.gz FBUFDGDCTQFOAB-DYORGOFNSA-N -1 0 398.422 6.901 40 10 GKCBRM Cc1ccc(C)c([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000058928733 570649214 /nfs/dbraw/zinc/64/92/14/570649214.db2.gz AEMGTXYCPQFBMA-ZRGWGRIASA-N -1 0 398.300 5.591 40 10 GKCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000004172161 570726795 /nfs/dbraw/zinc/72/67/95/570726795.db2.gz CDFBCFRPHJIXNL-KEYYUXOJSA-N -1 0 388.236 5.113 40 10 GKCBRM O=C([O-])c1ccccc1-c1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)o1 ZINC000013546335 570756970 /nfs/dbraw/zinc/75/69/70/570756970.db2.gz QYJKSMXPVXVMBL-KAMYIIQDSA-N -1 0 392.794 5.280 40 10 GKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 ZINC000004117458 570966390 /nfs/dbraw/zinc/96/63/90/570966390.db2.gz XPWUMPZXMZMOQI-BQIOTCGZSA-N -1 0 387.454 5.418 40 10 GKCBRM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408857502 231122921 /nfs/dbraw/zinc/12/29/21/231122921.db2.gz HJNVWCYEFYKHKN-KNOQFWTLSA-N -1 0 381.475 5.772 40 10 GKCBRM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 ZINC000408736027 231108605 /nfs/dbraw/zinc/10/86/05/231108605.db2.gz APVSZMGUSBCWBR-SLSDLSHTSA-N -1 0 397.474 5.790 40 10 GKCBRM O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccccc1[S-] ZINC000408985005 231142220 /nfs/dbraw/zinc/14/22/20/231142220.db2.gz KDJXKLODAZJYQS-NBVRZTHBSA-N -1 0 389.907 6.100 40 10 GKCBRM O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@H]21 ZINC000409150218 231172290 /nfs/dbraw/zinc/17/22/90/231172290.db2.gz AVTWZBFRFJBZJU-WVQJBOLRSA-N -1 0 393.792 5.884 40 10 GKCBRM O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@@H]21 ZINC000409150212 231172378 /nfs/dbraw/zinc/17/23/78/231172378.db2.gz AVTWZBFRFJBZJU-PSVSLLHZSA-N -1 0 393.792 5.884 40 10 GKCBRM 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