smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(C)(CC)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000159363365 538111433 /nfs/dbraw/zinc/11/14/33/538111433.db2.gz WESVGSHMZUFILR-STQMWFEESA-N 0 0 239.403 3.707 20 70 BHIDRN CCC(C)(CC)C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000159363509 538876891 /nfs/dbraw/zinc/87/68/91/538876891.db2.gz WESVGSHMZUFILR-OLZOCXBDSA-N 0 0 239.403 3.707 20 70 BHIDRN CCC(C)(CC)C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000159363636 538876941 /nfs/dbraw/zinc/87/69/41/538876941.db2.gz WESVGSHMZUFILR-QWHCGFSZSA-N 0 0 239.403 3.707 20 70 BHIDRN CCC(C)(CC)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000159363775 538111430 /nfs/dbraw/zinc/11/14/30/538111430.db2.gz WESVGSHMZUFILR-CHWSQXEVSA-N 0 0 239.403 3.707 20 70 BHIDRN CCc1noc(C)c1CNc1ccc(CC)cc1 ZINC000159364238 384325114 /nfs/dbraw/zinc/32/51/14/384325114.db2.gz MLIXFDSDKMVHTK-UHFFFAOYSA-N 0 0 244.338 3.720 20 70 BHIDRN CCc1noc(C)c1CNc1ccc(C)c(C)c1 ZINC000159364801 172080559 /nfs/dbraw/zinc/08/05/59/172080559.db2.gz FHHNEOVCPXAKSS-UHFFFAOYSA-N 0 0 244.338 3.774 20 70 BHIDRN CCc1noc(C)c1CNc1cc(C)cc(C)c1 ZINC000159365750 172080879 /nfs/dbraw/zinc/08/08/79/172080879.db2.gz MIIQOCGXLDHAAA-UHFFFAOYSA-N 0 0 244.338 3.774 20 70 BHIDRN CCC(C)(CC)C(=O)Nc1cccc(F)c1C ZINC000159392123 541494422 /nfs/dbraw/zinc/49/44/22/541494422.db2.gz TVPSYCZRSGMFBC-UHFFFAOYSA-N 0 0 237.318 3.899 20 70 BHIDRN Cc1cc(C)cc(NC(=O)N[C@@H](C)C2CCC2)c1 ZINC000159399132 541494257 /nfs/dbraw/zinc/49/42/57/541494257.db2.gz XZDKKVANVUATKP-LBPRGKRZSA-N 0 0 246.354 3.614 20 70 BHIDRN Cc1cc(C)cc(NC(=O)N[C@H](C)C2CCC2)c1 ZINC000159399247 541494360 /nfs/dbraw/zinc/49/43/60/541494360.db2.gz XZDKKVANVUATKP-GFCCVEGCSA-N 0 0 246.354 3.614 20 70 BHIDRN CCc1ccc(NC(=O)N[C@@H](C)C2CCC2)cc1 ZINC000159410388 541494053 /nfs/dbraw/zinc/49/40/53/541494053.db2.gz HVXJFCWUGUUYHF-NSHDSACASA-N 0 0 246.354 3.559 20 70 BHIDRN CCc1ccc(NC(=O)N[C@H](C)C2CCC2)cc1 ZINC000159410526 541494298 /nfs/dbraw/zinc/49/42/98/541494298.db2.gz HVXJFCWUGUUYHF-LLVKDONJSA-N 0 0 246.354 3.559 20 70 BHIDRN Cc1cc2ccccc2nc1NC[C@@H]1C[C@@H]1C ZINC000159414602 384101589 /nfs/dbraw/zinc/10/15/89/384101589.db2.gz WZYKSPYTPDVXNX-GWCFXTLKSA-N 0 0 226.323 3.611 20 70 BHIDRN Cc1cc2ccccc2nc1NC[C@H]1C[C@@H]1C ZINC000159414739 384102797 /nfs/dbraw/zinc/10/27/97/384102797.db2.gz WZYKSPYTPDVXNX-GXFFZTMASA-N 0 0 226.323 3.611 20 70 BHIDRN Cc1cc2ccccc2nc1NC[C@@H]1C[C@H]1C ZINC000159414887 322967658 /nfs/dbraw/zinc/96/76/58/322967658.db2.gz WZYKSPYTPDVXNX-MFKMUULPSA-N 0 0 226.323 3.611 20 70 BHIDRN Cc1cc2ccccc2nc1NC[C@H]1C[C@H]1C ZINC000159415026 384105300 /nfs/dbraw/zinc/10/53/00/384105300.db2.gz WZYKSPYTPDVXNX-ZWNOBZJWSA-N 0 0 226.323 3.611 20 70 BHIDRN Cc1cnn(CCSc2ccc(C)c(C)c2)c1 ZINC000159437274 322968715 /nfs/dbraw/zinc/96/87/15/322968715.db2.gz XJPZYJVQJIDYBM-UHFFFAOYSA-N 0 0 246.379 3.601 20 70 BHIDRN CCc1noc(C)c1CNc1ccc(F)c(C)c1 ZINC000159443099 172081137 /nfs/dbraw/zinc/08/11/37/172081137.db2.gz LRYWCXIYLFPVAC-UHFFFAOYSA-N 0 0 248.301 3.605 20 70 BHIDRN CCC(C)(CC)C(=O)Nc1cccc(C)c1F ZINC000159445305 538111431 /nfs/dbraw/zinc/11/14/31/538111431.db2.gz QYNSBYQHSBCFOR-UHFFFAOYSA-N 0 0 237.318 3.899 20 70 BHIDRN CC1(C)C[C@H]1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000159452334 322969469 /nfs/dbraw/zinc/96/94/69/322969469.db2.gz VKJDXTIGERNOBS-UONOGXRCSA-N 0 0 249.398 3.604 20 70 BHIDRN CC1(C)C[C@H]1C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000159452468 322969438 /nfs/dbraw/zinc/96/94/38/322969438.db2.gz VKJDXTIGERNOBS-KBPBESRZSA-N 0 0 249.398 3.604 20 70 BHIDRN CCc1cccc(NC(=O)N[C@@H](C)C2CCC2)c1 ZINC000159460155 538877106 /nfs/dbraw/zinc/87/71/06/538877106.db2.gz XUOSPINECRXNEC-NSHDSACASA-N 0 0 246.354 3.559 20 70 BHIDRN CCc1cccc(NC(=O)N[C@H](C)C2CCC2)c1 ZINC000159460267 538877393 /nfs/dbraw/zinc/87/73/93/538877393.db2.gz XUOSPINECRXNEC-LLVKDONJSA-N 0 0 246.354 3.559 20 70 BHIDRN CCc1noc(C)c1CNc1cccc(F)c1C ZINC000159474397 172080913 /nfs/dbraw/zinc/08/09/13/172080913.db2.gz BMLVPGSLBQCAPK-UHFFFAOYSA-N 0 0 248.301 3.605 20 70 BHIDRN Cc1cccc(C)c1NC(=O)N[C@@H](C)C1CCC1 ZINC000159485838 538877441 /nfs/dbraw/zinc/87/74/41/538877441.db2.gz XNZFLGYUXRAGCA-LBPRGKRZSA-N 0 0 246.354 3.614 20 70 BHIDRN Cc1cccc(C)c1NC(=O)N[C@H](C)C1CCC1 ZINC000159485952 538111434 /nfs/dbraw/zinc/11/14/34/538111434.db2.gz XNZFLGYUXRAGCA-GFCCVEGCSA-N 0 0 246.354 3.614 20 70 BHIDRN Cc1ccc(CNc2ncc(C(C)C)s2)cn1 ZINC000159514775 323023251 /nfs/dbraw/zinc/02/32/51/323023251.db2.gz GTCAHZZYUSWCKS-UHFFFAOYSA-N 0 0 247.367 3.582 20 70 BHIDRN CCc1ccccc1NC(=O)N[C@@H](C)C1CCC1 ZINC000159523275 538877605 /nfs/dbraw/zinc/87/76/05/538877605.db2.gz YIIHXORAPAUIJL-NSHDSACASA-N 0 0 246.354 3.559 20 70 BHIDRN CCc1ccccc1NC(=O)N[C@H](C)C1CCC1 ZINC000159523422 538877928 /nfs/dbraw/zinc/87/79/28/538877928.db2.gz YIIHXORAPAUIJL-LLVKDONJSA-N 0 0 246.354 3.559 20 70 BHIDRN Cc1ccc(CNc2cccc3ccncc32)cn1 ZINC000159570119 323037493 /nfs/dbraw/zinc/03/74/93/323037493.db2.gz UVFRLLRQIKRBNW-UHFFFAOYSA-N 0 0 249.317 3.550 20 70 BHIDRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1ccccc1C ZINC000159614320 323040453 /nfs/dbraw/zinc/04/04/53/323040453.db2.gz DFJWZYGLOKMKPQ-JGGQBBKZSA-N 0 0 245.366 3.608 20 70 BHIDRN CC[C@]1(C)C[C@H]1C(=O)N[C@@H](C)c1ccccc1C ZINC000159614578 323040498 /nfs/dbraw/zinc/04/04/98/323040498.db2.gz DFJWZYGLOKMKPQ-DUVNUKRYSA-N 0 0 245.366 3.608 20 70 BHIDRN CCc1noc(C)c1CSCc1ccccc1 ZINC000159629698 323040620 /nfs/dbraw/zinc/04/06/20/323040620.db2.gz SMATZDQPFLZAEX-UHFFFAOYSA-N 0 0 247.363 3.979 20 70 BHIDRN CCc1noc(C)c1CSc1ccc(C)cn1 ZINC000159696757 172080479 /nfs/dbraw/zinc/08/04/79/172080479.db2.gz NWKMFRLNJVTBSK-UHFFFAOYSA-N 0 0 248.351 3.541 20 70 BHIDRN CCCC(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159699583 384352465 /nfs/dbraw/zinc/35/24/65/384352465.db2.gz RPBOJIIEFVFFOV-NSHDSACASA-N 0 0 249.379 3.562 20 70 BHIDRN CCCC(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000159699702 384351633 /nfs/dbraw/zinc/35/16/33/384351633.db2.gz RPBOJIIEFVFFOV-LLVKDONJSA-N 0 0 249.379 3.562 20 70 BHIDRN C[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000159700196 323044155 /nfs/dbraw/zinc/04/41/55/323044155.db2.gz RLAGODAOIGCMFW-RYUDHWBXSA-N 0 0 237.387 3.508 20 70 BHIDRN C[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000159700324 323044128 /nfs/dbraw/zinc/04/41/28/323044128.db2.gz RLAGODAOIGCMFW-NEPJUHHUSA-N 0 0 237.387 3.508 20 70 BHIDRN C[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000159700463 323044166 /nfs/dbraw/zinc/04/41/66/323044166.db2.gz RLAGODAOIGCMFW-NWDGAFQWSA-N 0 0 237.387 3.508 20 70 BHIDRN C[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000159700571 323044178 /nfs/dbraw/zinc/04/41/78/323044178.db2.gz RLAGODAOIGCMFW-VXGBXAGGSA-N 0 0 237.387 3.508 20 70 BHIDRN C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 ZINC000159700717 323044139 /nfs/dbraw/zinc/04/41/39/323044139.db2.gz YHDVXNSORIWVNO-SPWCGHHHSA-N 0 0 249.398 3.508 20 70 BHIDRN C[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 ZINC000159700852 323044126 /nfs/dbraw/zinc/04/41/26/323044126.db2.gz YHDVXNSORIWVNO-FAAHXZRKSA-N 0 0 249.398 3.508 20 70 BHIDRN CCCCSCc1c(C)onc1CC ZINC000159707042 168930548 /nfs/dbraw/zinc/93/05/48/168930548.db2.gz UTTUZWLHEUIXEN-UHFFFAOYSA-N 0 0 213.346 3.579 20 70 BHIDRN CC[C@@H]1CCC[C@@H]1NC(=O)CCC(C)(C)C ZINC000159708001 323044422 /nfs/dbraw/zinc/04/44/22/323044422.db2.gz LLUKFJVQFGRTRG-NEPJUHHUSA-N 0 0 225.376 3.508 20 70 BHIDRN CC[C@H]1CCC[C@@H]1NC(=O)CCC(C)(C)C ZINC000159708137 323044427 /nfs/dbraw/zinc/04/44/27/323044427.db2.gz LLUKFJVQFGRTRG-RYUDHWBXSA-N 0 0 225.376 3.508 20 70 BHIDRN CC[C@@H]1CCC[C@H]1NC(=O)CCC(C)(C)C ZINC000159708253 323044456 /nfs/dbraw/zinc/04/44/56/323044456.db2.gz LLUKFJVQFGRTRG-VXGBXAGGSA-N 0 0 225.376 3.508 20 70 BHIDRN CC[C@H]1CCC[C@H]1NC(=O)CCC(C)(C)C ZINC000159708376 323044416 /nfs/dbraw/zinc/04/44/16/323044416.db2.gz LLUKFJVQFGRTRG-NWDGAFQWSA-N 0 0 225.376 3.508 20 70 BHIDRN Cc1cccc(NC(=O)NCCC2=CCCC2)c1 ZINC000159719858 323044626 /nfs/dbraw/zinc/04/46/26/323044626.db2.gz XSWYQUKTSHRUKH-UHFFFAOYSA-N 0 0 244.338 3.617 20 70 BHIDRN Cc1ccccc1NC(=O)NCCC1=CCCC1 ZINC000159724065 179300807 /nfs/dbraw/zinc/30/08/07/179300807.db2.gz TZIKLKVYRUGYHH-UHFFFAOYSA-N 0 0 244.338 3.617 20 70 BHIDRN Cc1ccnc(NC(=O)C(C)(C)C2CCCC2)c1 ZINC000159741677 323046510 /nfs/dbraw/zinc/04/65/10/323046510.db2.gz AEVBPLHFNBBEKV-UHFFFAOYSA-N 0 0 246.354 3.545 20 70 BHIDRN Cc1cccc(NC(=O)C(C)(C)C2CCCC2)n1 ZINC000159753989 323046905 /nfs/dbraw/zinc/04/69/05/323046905.db2.gz RVYXZXXLGRYXMD-UHFFFAOYSA-N 0 0 246.354 3.545 20 70 BHIDRN Cc1ccc(NC(=O)NCCC2=CCCC2)cc1 ZINC000159772153 323047558 /nfs/dbraw/zinc/04/75/58/323047558.db2.gz JGGJCDZUKJRKQB-UHFFFAOYSA-N 0 0 244.338 3.617 20 70 BHIDRN CCCCCSCc1c(C)onc1CC ZINC000159800768 323048857 /nfs/dbraw/zinc/04/88/57/323048857.db2.gz SLQZLYIKZVPPLJ-UHFFFAOYSA-N 0 0 227.373 3.969 20 70 BHIDRN C[C@@H]1CCC[C@H](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000159802625 323048851 /nfs/dbraw/zinc/04/88/51/323048851.db2.gz ANMRPZYJRPZJPB-OLZOCXBDSA-N 0 0 249.398 3.509 20 70 BHIDRN C[C@H]1CCC[C@H](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000159802710 323048921 /nfs/dbraw/zinc/04/89/21/323048921.db2.gz ANMRPZYJRPZJPB-STQMWFEESA-N 0 0 249.398 3.509 20 70 BHIDRN C[C@@H]1CCC[C@@H](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000159802797 323048848 /nfs/dbraw/zinc/04/88/48/323048848.db2.gz ANMRPZYJRPZJPB-CHWSQXEVSA-N 0 0 249.398 3.509 20 70 BHIDRN C[C@H]1CCC[C@@H](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000159802955 323048927 /nfs/dbraw/zinc/04/89/27/323048927.db2.gz ANMRPZYJRPZJPB-QWHCGFSZSA-N 0 0 249.398 3.509 20 70 BHIDRN CC1(C)CCC(C(=O)NCC2(C3CC3)CC2)CC1 ZINC000159854513 323050819 /nfs/dbraw/zinc/05/08/19/323050819.db2.gz PKGGLVUQDIOOEM-UHFFFAOYSA-N 0 0 249.398 3.509 20 70 BHIDRN CC(C)(C)CCCC(=O)NCC1(C2CC2)CC1 ZINC000159872250 323051436 /nfs/dbraw/zinc/05/14/36/323051436.db2.gz IRZPFNORGOPXET-UHFFFAOYSA-N 0 0 237.387 3.509 20 70 BHIDRN Fc1ccc(CSc2ccncc2)cc1 ZINC000159876308 345580098 /nfs/dbraw/zinc/58/00/98/345580098.db2.gz PUXVVTDXBSSSSZ-UHFFFAOYSA-N 0 0 219.284 3.513 20 70 BHIDRN Fc1ccc(F)c(CSc2ccncc2)c1 ZINC000159891594 323052374 /nfs/dbraw/zinc/05/23/74/323052374.db2.gz FNIVYDPNWNXJCR-UHFFFAOYSA-N 0 0 237.274 3.652 20 70 BHIDRN CC/C=C(/C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000159893321 384366678 /nfs/dbraw/zinc/36/66/78/384366678.db2.gz NTGBVFUNLMZHCO-DUWGPSABSA-N 0 0 249.379 3.598 20 70 BHIDRN CC/C=C(/C)C(=O)N[C@H]1CCCc2sccc21 ZINC000159893445 384366984 /nfs/dbraw/zinc/36/69/84/384366984.db2.gz NTGBVFUNLMZHCO-JSJZCHLLSA-N 0 0 249.379 3.598 20 70 BHIDRN C[C@@H](CSc1ccncc1)c1ccccc1 ZINC000159894488 323052607 /nfs/dbraw/zinc/05/26/07/323052607.db2.gz TZSDRVWNGJJNBT-LBPRGKRZSA-N 0 0 229.348 3.977 20 70 BHIDRN C[C@H](CSc1ccncc1)c1ccccc1 ZINC000159894607 323052496 /nfs/dbraw/zinc/05/24/96/323052496.db2.gz TZSDRVWNGJJNBT-GFCCVEGCSA-N 0 0 229.348 3.977 20 70 BHIDRN CC(C)[C@H](NC(=O)C1=CCCC1)c1ccccc1 ZINC000159895802 323052685 /nfs/dbraw/zinc/05/26/85/323052685.db2.gz LFTVZGGDFVNMLA-HNNXBMFYSA-N 0 0 243.350 3.610 20 70 BHIDRN CC(C)[C@@H](NC(=O)C1=CCCC1)c1ccccc1 ZINC000159895951 323052703 /nfs/dbraw/zinc/05/27/03/323052703.db2.gz LFTVZGGDFVNMLA-OAHLLOKOSA-N 0 0 243.350 3.610 20 70 BHIDRN Cc1sc2ncnc(NC3(C)CCC3)c2c1C ZINC000159901037 538880279 /nfs/dbraw/zinc/88/02/79/538880279.db2.gz QNNQFVNTWFIBLS-UHFFFAOYSA-N 0 0 247.367 3.663 20 70 BHIDRN CC(C)(C)c1cnc(CSc2ccncc2)o1 ZINC000159901217 187301933 /nfs/dbraw/zinc/30/19/33/187301933.db2.gz XPQQGMCMQDHVLC-UHFFFAOYSA-N 0 0 248.351 3.659 20 70 BHIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000159904282 323053075 /nfs/dbraw/zinc/05/30/75/323053075.db2.gz NKMVHLOYRWIEPD-JGGQBBKZSA-N 0 0 245.366 3.642 20 70 BHIDRN CC[C@@H]1CCC[C@@H]1Nc1ccc(F)c(OC)c1 ZINC000159904374 323053151 /nfs/dbraw/zinc/05/31/51/323053151.db2.gz ARRMDFTUXSWFCY-MFKMUULPSA-N 0 0 237.318 3.825 20 70 BHIDRN CC[C@H]1CCC[C@@H]1Nc1ccc(F)c(OC)c1 ZINC000159904517 323053127 /nfs/dbraw/zinc/05/31/27/323053127.db2.gz ARRMDFTUXSWFCY-GWCFXTLKSA-N 0 0 237.318 3.825 20 70 BHIDRN CC[C@]1(C)C[C@H]1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000159904557 323053157 /nfs/dbraw/zinc/05/31/57/323053157.db2.gz NKMVHLOYRWIEPD-DUVNUKRYSA-N 0 0 245.366 3.642 20 70 BHIDRN CC[C@@H]1CCC[C@H]1Nc1ccc(F)c(OC)c1 ZINC000159904653 323053092 /nfs/dbraw/zinc/05/30/92/323053092.db2.gz ARRMDFTUXSWFCY-ZWNOBZJWSA-N 0 0 237.318 3.825 20 70 BHIDRN CC[C@H]1CCC[C@H]1Nc1ccc(F)c(OC)c1 ZINC000159904789 323053115 /nfs/dbraw/zinc/05/31/15/323053115.db2.gz ARRMDFTUXSWFCY-GXFFZTMASA-N 0 0 237.318 3.825 20 70 BHIDRN O=C(CCC1CCCC1)CSc1ccccn1 ZINC000159917562 345651091 /nfs/dbraw/zinc/65/10/91/345651091.db2.gz SPMZHBPJCXJXLB-UHFFFAOYSA-N 0 0 249.379 3.713 20 70 BHIDRN COc1cc(N[C@H]2CCC[C@@H](C)C2)ccc1F ZINC000159918962 388039410 /nfs/dbraw/zinc/03/94/10/388039410.db2.gz AIXHSPHAJADAGN-MNOVXSKESA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@H]2CCC[C@H](C)C2)ccc1F ZINC000159919100 201694943 /nfs/dbraw/zinc/69/49/43/201694943.db2.gz AIXHSPHAJADAGN-QWRGUYRKSA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@@H]2CCC[C@@H](C)C2)ccc1F ZINC000159919244 388039463 /nfs/dbraw/zinc/03/94/63/388039463.db2.gz AIXHSPHAJADAGN-GHMZBOCLSA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@@H]2CCC[C@H](C)C2)ccc1F ZINC000159919401 388039374 /nfs/dbraw/zinc/03/93/74/388039374.db2.gz AIXHSPHAJADAGN-WDEREUQCSA-N 0 0 237.318 3.825 20 70 BHIDRN Cc1cccc(C)c1CSc1ccncc1 ZINC000159932985 323054369 /nfs/dbraw/zinc/05/43/69/323054369.db2.gz SUWUPNFNWGZSQD-UHFFFAOYSA-N 0 0 229.348 3.991 20 70 BHIDRN O=C(CC1CCCCCC1)NCC1(C2CC2)CC1 ZINC000159947323 323054516 /nfs/dbraw/zinc/05/45/16/323054516.db2.gz MOIRQHHJGJWPIW-UHFFFAOYSA-N 0 0 249.398 3.653 20 70 BHIDRN CCCn1nccc1CNc1ccc(C)cc1C ZINC000159952549 488093964 /nfs/dbraw/zinc/09/39/64/488093964.db2.gz CEIBHBNFBAERTE-UHFFFAOYSA-N 0 0 243.354 3.522 20 70 BHIDRN COc1cccc([C@H](C)Sc2ccncc2)c1 ZINC000159952819 323055411 /nfs/dbraw/zinc/05/54/11/323055411.db2.gz ZWVZGODAKLUBNN-NSHDSACASA-N 0 0 245.347 3.944 20 70 BHIDRN COc1cccc([C@@H](C)Sc2ccncc2)c1 ZINC000159952951 323055389 /nfs/dbraw/zinc/05/53/89/323055389.db2.gz 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Cc1ccc(CCSc2ccncc2)cc1 ZINC000159972710 323056008 /nfs/dbraw/zinc/05/60/08/323056008.db2.gz SJOSRMKGAUPBDK-UHFFFAOYSA-N 0 0 229.348 3.725 20 70 BHIDRN CC1(Nc2nc3ccccc3s2)CCC1 ZINC000159974504 134797034 /nfs/dbraw/zinc/79/70/34/134797034.db2.gz VWUWGGVNALECPR-UHFFFAOYSA-N 0 0 218.325 3.651 20 70 BHIDRN C[C@H](Nc1ccc(C(F)(F)F)cn1)C1CCC1 ZINC000159985607 345770978 /nfs/dbraw/zinc/77/09/78/345770978.db2.gz QSOAPAUBODGOFP-QMMMGPOBSA-N 0 0 244.260 3.701 20 70 BHIDRN C[C@@H](Nc1ccc(C(F)(F)F)cn1)C1CCC1 ZINC000159985738 345770790 /nfs/dbraw/zinc/77/07/90/345770790.db2.gz QSOAPAUBODGOFP-MRVPVSSYSA-N 0 0 244.260 3.701 20 70 BHIDRN Cc1nc2ccccc2nc1N[C@@H](C)C1CCC1 ZINC000159987866 345774989 /nfs/dbraw/zinc/77/49/89/345774989.db2.gz HVGALZJKGNJMNM-JTQLQIEISA-N 0 0 241.338 3.539 20 70 BHIDRN Cc1nc2ccccc2nc1N[C@H](C)C1CCC1 ZINC000159987993 345775003 /nfs/dbraw/zinc/77/50/03/345775003.db2.gz HVGALZJKGNJMNM-SNVBAGLBSA-N 0 0 241.338 3.539 20 70 BHIDRN C[C@H](Nc1cc(C(F)(F)F)ccn1)C1CCC1 ZINC000159990024 134796654 /nfs/dbraw/zinc/79/66/54/134796654.db2.gz PGNJSQNZFOAPAL-QMMMGPOBSA-N 0 0 244.260 3.701 20 70 BHIDRN C[C@@H](Nc1cc(C(F)(F)F)ccn1)C1CCC1 ZINC000159990147 345773147 /nfs/dbraw/zinc/77/31/47/345773147.db2.gz PGNJSQNZFOAPAL-MRVPVSSYSA-N 0 0 244.260 3.701 20 70 BHIDRN Cc1cccc(OCCSc2ccncc2)c1 ZINC000159990630 323057124 /nfs/dbraw/zinc/05/71/24/323057124.db2.gz LENOWQHLROMFJH-UHFFFAOYSA-N 0 0 245.347 3.561 20 70 BHIDRN CCc1ccc(CNc2ccc(F)c(OC)c2)o1 ZINC000159995328 345775775 /nfs/dbraw/zinc/77/57/75/345775775.db2.gz JDRWMJLAZYGIKD-UHFFFAOYSA-N 0 0 249.285 3.602 20 70 BHIDRN Fc1ccc(CSc2ccncc2)c(F)c1 ZINC000159995660 323057236 /nfs/dbraw/zinc/05/72/36/323057236.db2.gz FDIFENJZJWIXHM-UHFFFAOYSA-N 0 0 237.274 3.652 20 70 BHIDRN COc1cc(N[C@@H](C)C2CCCC2)ccc1F ZINC000160000950 388041630 /nfs/dbraw/zinc/04/16/30/388041630.db2.gz OZXLLBOIUAUIAW-JTQLQIEISA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@H](C)C2CCCC2)ccc1F ZINC000160001077 388042676 /nfs/dbraw/zinc/04/26/76/388042676.db2.gz OZXLLBOIUAUIAW-SNVBAGLBSA-N 0 0 237.318 3.825 20 70 BHIDRN CCCN(C(=O)C1CCC(C)(C)CC1)C1CC1 ZINC000160010597 323057309 /nfs/dbraw/zinc/05/73/09/323057309.db2.gz GQDSTNSZDFGJFT-UHFFFAOYSA-N 0 0 237.387 3.604 20 70 BHIDRN COc1cc(NC[C@H]2CC=CCC2)ccc1F ZINC000160019437 200721987 /nfs/dbraw/zinc/72/19/87/200721987.db2.gz XMQHLUAKLYCGGL-NSHDSACASA-N 0 0 235.302 3.603 20 70 BHIDRN COc1cc(NC[C@@H]2CC=CCC2)ccc1F ZINC000160019578 201699347 /nfs/dbraw/zinc/69/93/47/201699347.db2.gz XMQHLUAKLYCGGL-LLVKDONJSA-N 0 0 235.302 3.603 20 70 BHIDRN C[C@@H](CC1CCCC1)C(=O)NCC1(C2CC2)CC1 ZINC000160019703 323057713 /nfs/dbraw/zinc/05/77/13/323057713.db2.gz LNKTXDIXXXIRMT-LBPRGKRZSA-N 0 0 249.398 3.509 20 70 BHIDRN C[C@H](CC1CCCC1)C(=O)NCC1(C2CC2)CC1 ZINC000160019803 323057655 /nfs/dbraw/zinc/05/76/55/323057655.db2.gz LNKTXDIXXXIRMT-GFCCVEGCSA-N 0 0 249.398 3.509 20 70 BHIDRN CC(C)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000160025468 345787633 /nfs/dbraw/zinc/78/76/33/345787633.db2.gz NOFCYTUYEWUPSQ-UHFFFAOYSA-N 0 0 244.313 3.636 20 70 BHIDRN CCc1noc(C)c1CSCCCSC ZINC000160044019 172080430 /nfs/dbraw/zinc/08/04/30/172080430.db2.gz VIXVQBHELKQSPY-UHFFFAOYSA-N 0 0 245.413 3.532 20 70 BHIDRN COc1cc(N[C@H](C)c2ccc(C)o2)ccc1F ZINC000160056530 134798141 /nfs/dbraw/zinc/79/81/41/134798141.db2.gz UTPKUKXXWRHFNG-SNVBAGLBSA-N 0 0 249.285 3.909 20 70 BHIDRN COc1cc(N[C@@H](C)c2ccc(C)o2)ccc1F ZINC000160056646 488194164 /nfs/dbraw/zinc/19/41/64/488194164.db2.gz UTPKUKXXWRHFNG-JTQLQIEISA-N 0 0 249.285 3.909 20 70 BHIDRN COc1cc(N[C@@H](C)c2ccco2)ccc1F ZINC000160058096 175003106 /nfs/dbraw/zinc/00/31/06/175003106.db2.gz VPQHXRPQFBWAGR-VIFPVBQESA-N 0 0 235.258 3.600 20 70 BHIDRN COc1cc(N[C@H](C)c2ccco2)ccc1F ZINC000160058226 175004013 /nfs/dbraw/zinc/00/40/13/175004013.db2.gz VPQHXRPQFBWAGR-SECBINFHSA-N 0 0 235.258 3.600 20 70 BHIDRN Cc1noc(C)c1CCSCc1ccccc1 ZINC000160061670 323059334 /nfs/dbraw/zinc/05/93/34/323059334.db2.gz MZPTUNVKTABQCQ-UHFFFAOYSA-N 0 0 247.363 3.767 20 70 BHIDRN C[C@H](Nc1nc2ccccc2s1)C1CCC1 ZINC000160062901 387040201 /nfs/dbraw/zinc/04/02/01/387040201.db2.gz VWDNQRAZOJRPOQ-VIFPVBQESA-N 0 0 232.352 3.897 20 70 BHIDRN C[C@@H](Nc1nc2ccccc2s1)C1CCC1 ZINC000160063024 175936242 /nfs/dbraw/zinc/93/62/42/175936242.db2.gz VWDNQRAZOJRPOQ-SECBINFHSA-N 0 0 232.352 3.897 20 70 BHIDRN Cc1cc(C)c(NC(=O)[C@@H]2CC2(C)C)c(C)c1 ZINC000160063652 384382423 /nfs/dbraw/zinc/38/24/23/384382423.db2.gz YHUIPYXXRSKUME-LBPRGKRZSA-N 0 0 231.339 3.596 20 70 BHIDRN Cc1cc(C)c(NC(=O)[C@H]2CC2(C)C)c(C)c1 ZINC000160063772 384381396 /nfs/dbraw/zinc/38/13/96/384381396.db2.gz YHUIPYXXRSKUME-GFCCVEGCSA-N 0 0 231.339 3.596 20 70 BHIDRN CCN(C(=O)[C@H]1C[C@@]1(C)CC)c1ccc(F)cc1 ZINC000160065109 323059420 /nfs/dbraw/zinc/05/94/20/323059420.db2.gz MBVPMBRSQQYKJB-UKRRQHHQSA-N 0 0 249.329 3.615 20 70 BHIDRN CCN(C(=O)[C@H]1C[C@]1(C)CC)c1ccc(F)cc1 ZINC000160065247 323059382 /nfs/dbraw/zinc/05/93/82/323059382.db2.gz MBVPMBRSQQYKJB-HIFRSBDPSA-N 0 0 249.329 3.615 20 70 BHIDRN CCN(C(=O)[C@@H]1C[C@@]1(C)CC)c1ccc(F)cc1 ZINC000160065393 323075321 /nfs/dbraw/zinc/07/53/21/323075321.db2.gz MBVPMBRSQQYKJB-DZGCQCFKSA-N 0 0 249.329 3.615 20 70 BHIDRN CCN(C(=O)[C@@H]1C[C@]1(C)CC)c1ccc(F)cc1 ZINC000160065527 323059422 /nfs/dbraw/zinc/05/94/22/323059422.db2.gz MBVPMBRSQQYKJB-ZFWWWQNUSA-N 0 0 249.329 3.615 20 70 BHIDRN CCc1cccc(C)c1NC(=O)[C@@H]1CC1(C)C ZINC000160067449 384382214 /nfs/dbraw/zinc/38/22/14/384382214.db2.gz JELJXXDGCAAHRY-LBPRGKRZSA-N 0 0 231.339 3.542 20 70 BHIDRN CCc1cccc(C)c1NC(=O)[C@H]1CC1(C)C ZINC000160067586 384380884 /nfs/dbraw/zinc/38/08/84/384380884.db2.gz JELJXXDGCAAHRY-GFCCVEGCSA-N 0 0 231.339 3.542 20 70 BHIDRN C[C@H](Nc1nccc2sccc21)C1CCC1 ZINC000160067816 541496001 /nfs/dbraw/zinc/49/60/01/541496001.db2.gz FQKZJOAMSDXLRY-VIFPVBQESA-N 0 0 232.352 3.897 20 70 BHIDRN C[C@@H](Nc1nccc2sccc21)C1CCC1 ZINC000160067946 541496070 /nfs/dbraw/zinc/49/60/70/541496070.db2.gz FQKZJOAMSDXLRY-SECBINFHSA-N 0 0 232.352 3.897 20 70 BHIDRN COc1cc(N[C@@H](C)c2ccoc2)ccc1F ZINC000160070421 323059453 /nfs/dbraw/zinc/05/94/53/323059453.db2.gz WTLUXYPCTCGMEZ-VIFPVBQESA-N 0 0 235.258 3.600 20 70 BHIDRN COc1cc(N[C@H](C)c2ccoc2)ccc1F ZINC000160070556 323059460 /nfs/dbraw/zinc/05/94/60/323059460.db2.gz WTLUXYPCTCGMEZ-SECBINFHSA-N 0 0 235.258 3.600 20 70 BHIDRN COc1cc(N[C@H]2CCC(C)(C)C2)ccc1F ZINC000160071951 411309045 /nfs/dbraw/zinc/30/90/45/411309045.db2.gz GEVAPILAUQZHHG-NSHDSACASA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@@H]2CCC(C)(C)C2)ccc1F ZINC000160072068 411309280 /nfs/dbraw/zinc/30/92/80/411309280.db2.gz GEVAPILAUQZHHG-LLVKDONJSA-N 0 0 237.318 3.825 20 70 BHIDRN CCC[C@H](C(=O)NC1(CC)CCC1)C(C)C ZINC000160074440 323059929 /nfs/dbraw/zinc/05/99/29/323059929.db2.gz NUZBCRFADZWHEC-LBPRGKRZSA-N 0 0 225.376 3.508 20 70 BHIDRN CCC[C@@H](C(=O)NC1(CC)CCC1)C(C)C ZINC000160074557 323059892 /nfs/dbraw/zinc/05/98/92/323059892.db2.gz NUZBCRFADZWHEC-GFCCVEGCSA-N 0 0 225.376 3.508 20 70 BHIDRN COc1cc(N[C@@H](C)CC2CCC2)ccc1F ZINC000160078184 541496019 /nfs/dbraw/zinc/49/60/19/541496019.db2.gz WOJJMNBKPMDTDD-JTQLQIEISA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@H](C)CC2CCC2)ccc1F ZINC000160078317 541496047 /nfs/dbraw/zinc/49/60/47/541496047.db2.gz WOJJMNBKPMDTDD-SNVBAGLBSA-N 0 0 237.318 3.825 20 70 BHIDRN CCc1cccc(CC)c1NC(=O)[C@@H]1CC1(C)C ZINC000160085295 397768060 /nfs/dbraw/zinc/76/80/60/397768060.db2.gz FIMFMSXEIFKNCF-ZDUSSCGKSA-N 0 0 245.366 3.796 20 70 BHIDRN CCc1cccc(CC)c1NC(=O)[C@H]1CC1(C)C ZINC000160085439 188159367 /nfs/dbraw/zinc/15/93/67/188159367.db2.gz FIMFMSXEIFKNCF-CYBMUJFWSA-N 0 0 245.366 3.796 20 70 BHIDRN COc1cc(N[C@H]2CCCC2(C)C)ccc1F ZINC000160104316 388046472 /nfs/dbraw/zinc/04/64/72/388046472.db2.gz NAFMUXZZKIOODT-ZDUSSCGKSA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@@H]2CCCC2(C)C)ccc1F ZINC000160104436 388045831 /nfs/dbraw/zinc/04/58/31/388045831.db2.gz NAFMUXZZKIOODT-CYBMUJFWSA-N 0 0 237.318 3.825 20 70 BHIDRN CCCC(CCC)SCCn1ccnc1 ZINC000160110779 323060890 /nfs/dbraw/zinc/06/08/90/323060890.db2.gz CHKDBJXDGYDUCV-UHFFFAOYSA-N 0 0 226.389 3.585 20 70 BHIDRN Cc1cnccc1NC(=O)C1CCC(C)(C)CC1 ZINC000160122573 384387753 /nfs/dbraw/zinc/38/77/53/384387753.db2.gz FBYSQCVQJMMQDC-UHFFFAOYSA-N 0 0 246.354 3.545 20 70 BHIDRN COc1cc(N[C@H]2CCCC[C@H]2C)ccc1F ZINC000160124405 388047645 /nfs/dbraw/zinc/04/76/45/388047645.db2.gz WPWNAKAJZUSKGO-MFKMUULPSA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@H]2CCCC[C@@H]2C)ccc1F ZINC000160124532 388048464 /nfs/dbraw/zinc/04/84/64/388048464.db2.gz WPWNAKAJZUSKGO-GWCFXTLKSA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@@H]2CCCC[C@H]2C)ccc1F ZINC000160124688 388048486 /nfs/dbraw/zinc/04/84/86/388048486.db2.gz WPWNAKAJZUSKGO-ZWNOBZJWSA-N 0 0 237.318 3.825 20 70 BHIDRN COc1cc(N[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000160124801 388047530 /nfs/dbraw/zinc/04/75/30/388047530.db2.gz WPWNAKAJZUSKGO-GXFFZTMASA-N 0 0 237.318 3.825 20 70 BHIDRN Cc1noc(C)c1CCSCCC(C)C ZINC000160128577 346441783 /nfs/dbraw/zinc/44/17/83/346441783.db2.gz VGTWPXKFKTUKAC-UHFFFAOYSA-N 0 0 227.373 3.613 20 70 BHIDRN CCCCCSCCc1c(C)noc1C ZINC000160143658 323061326 /nfs/dbraw/zinc/06/13/26/323061326.db2.gz WVPYDCYRQZVPNG-UHFFFAOYSA-N 0 0 227.373 3.757 20 70 BHIDRN c1ccc(CCSCCc2ccccn2)cc1 ZINC000160199032 183394693 /nfs/dbraw/zinc/39/46/93/183394693.db2.gz DLSUTWLTYQOOSH-UHFFFAOYSA-N 0 0 243.375 3.600 20 70 BHIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(SC)cc1 ZINC000160202765 323063782 /nfs/dbraw/zinc/06/37/82/323063782.db2.gz FESFKLSLYSYTPF-TZMCWYRMSA-N 0 0 249.379 3.783 20 70 BHIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(SC)cc1 ZINC000160202913 346444287 /nfs/dbraw/zinc/44/42/87/346444287.db2.gz FESFKLSLYSYTPF-OCCSQVGLSA-N 0 0 249.379 3.783 20 70 BHIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(SC)cc1 ZINC000160203053 323063755 /nfs/dbraw/zinc/06/37/55/323063755.db2.gz FESFKLSLYSYTPF-GXTWGEPZSA-N 0 0 249.379 3.783 20 70 BHIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(SC)cc1 ZINC000160203178 323063784 /nfs/dbraw/zinc/06/37/84/323063784.db2.gz FESFKLSLYSYTPF-JSGCOSHPSA-N 0 0 249.379 3.783 20 70 BHIDRN CCc1cc(C)c(C(=O)N2[C@H](C)CCC[C@@H]2C)o1 ZINC000160221921 323064324 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ZINC000160775092 323134800 /nfs/dbraw/zinc/13/48/00/323134800.db2.gz NJUIPGNXICVKKY-OLZOCXBDSA-N 0 0 249.354 3.629 20 70 BHIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C)o1 ZINC000160775240 323134803 /nfs/dbraw/zinc/13/48/03/323134803.db2.gz NJUIPGNXICVKKY-STQMWFEESA-N 0 0 249.354 3.629 20 70 BHIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C)o1 ZINC000160775379 323134709 /nfs/dbraw/zinc/13/47/09/323134709.db2.gz NJUIPGNXICVKKY-CHWSQXEVSA-N 0 0 249.354 3.629 20 70 BHIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C)o1 ZINC000160775495 323134767 /nfs/dbraw/zinc/13/47/67/323134767.db2.gz NJUIPGNXICVKKY-QWHCGFSZSA-N 0 0 249.354 3.629 20 70 BHIDRN CCCC1(CNC(=O)C2(CC)CCCC2)CC1 ZINC000160783729 323075629 /nfs/dbraw/zinc/07/56/29/323075629.db2.gz ALUZHPCVTRNARV-UHFFFAOYSA-N 0 0 237.387 3.653 20 70 BHIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CC1CCC1 ZINC000160799841 323135950 /nfs/dbraw/zinc/13/59/50/323135950.db2.gz ZITBAYMTFGJLAZ-KGLIPLIRSA-N 0 0 237.387 3.604 20 70 BHIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CC1CCC1 ZINC000160799969 323135825 /nfs/dbraw/zinc/13/58/25/323135825.db2.gz ZITBAYMTFGJLAZ-KBPBESRZSA-N 0 0 237.387 3.604 20 70 BHIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CC1CCC1 ZINC000160800095 323075635 /nfs/dbraw/zinc/07/56/35/323075635.db2.gz ZITBAYMTFGJLAZ-ZIAGYGMSSA-N 0 0 237.387 3.604 20 70 BHIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CC1CCC1 ZINC000160800222 323135869 /nfs/dbraw/zinc/13/58/69/323135869.db2.gz ZITBAYMTFGJLAZ-UONOGXRCSA-N 0 0 237.387 3.604 20 70 BHIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCC1CC1 ZINC000160844133 323136569 /nfs/dbraw/zinc/13/65/69/323136569.db2.gz FPDYFNIYAMNTQJ-KGLIPLIRSA-N 0 0 237.387 3.604 20 70 BHIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCC1CC1 ZINC000160844257 323136623 /nfs/dbraw/zinc/13/66/23/323136623.db2.gz FPDYFNIYAMNTQJ-KBPBESRZSA-N 0 0 237.387 3.604 20 70 BHIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCC1CC1 ZINC000160844376 323075786 /nfs/dbraw/zinc/07/57/86/323075786.db2.gz FPDYFNIYAMNTQJ-ZIAGYGMSSA-N 0 0 237.387 3.604 20 70 BHIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CCC1CC1 ZINC000160844507 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c1csc(COc2ccc3ccccc3c2)n1 ZINC000161115463 200703816 /nfs/dbraw/zinc/70/38/16/200703816.db2.gz VJMSRWCBBHDXBU-UHFFFAOYSA-N 0 0 241.315 3.875 20 70 BHIDRN Fc1ccc(OCc2nccs2)c(Cl)c1 ZINC000161116771 385257459 /nfs/dbraw/zinc/25/74/59/385257459.db2.gz WDMNBMSEYUFLSS-UHFFFAOYSA-N 0 0 243.690 3.515 20 70 BHIDRN Fc1ccc(OCc2nccs2)cc1Cl ZINC000161116914 385255091 /nfs/dbraw/zinc/25/50/91/385255091.db2.gz ORXSGABZVRQYCI-UHFFFAOYSA-N 0 0 243.690 3.515 20 70 BHIDRN Cc1cc(Cl)ccc1OCc1nccs1 ZINC000161119128 385260419 /nfs/dbraw/zinc/26/04/19/385260419.db2.gz VAWLKTNRQCRDRZ-UHFFFAOYSA-N 0 0 239.727 3.684 20 70 BHIDRN Cc1cc(OCc2nccs2)ccc1Cl ZINC000161119242 385261906 /nfs/dbraw/zinc/26/19/06/385261906.db2.gz VSNCPSOSFGRLEN-UHFFFAOYSA-N 0 0 239.727 3.684 20 70 BHIDRN Cc1ccc(C)c(OCc2nccs2)c1C ZINC000161121355 385264037 /nfs/dbraw/zinc/26/40/37/385264037.db2.gz BZJURKIIQCRVHF-UHFFFAOYSA-N 0 0 233.336 3.647 20 70 BHIDRN CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161132188 345961552 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/nfs/dbraw/zinc/17/18/69/583171869.db2.gz OMXOVXZGUPGODK-SNVBAGLBSA-N 0 0 246.306 3.831 20 70 BHIDRN CC[C@H](C)C(=O)OCc1oc2ccccc2c1C ZINC000217202580 583171769 /nfs/dbraw/zinc/17/17/69/583171769.db2.gz OMXOVXZGUPGODK-JTQLQIEISA-N 0 0 246.306 3.831 20 70 BHIDRN Cc1c(COC(=O)CC(C)C)oc2ccccc12 ZINC000217202887 592102188 /nfs/dbraw/zinc/10/21/88/592102188.db2.gz POEJYYHSZYUHDX-UHFFFAOYSA-N 0 0 246.306 3.831 20 70 BHIDRN CCc1ccc(CSCCOC(C)C)cc1 ZINC000217229359 371920633 /nfs/dbraw/zinc/92/06/33/371920633.db2.gz OTOLZFGZWCZAKN-UHFFFAOYSA-N 0 0 238.396 3.907 20 70 BHIDRN CC(C)(C)[C@@H](Cc1ccccc1)OC(=O)C1CC1 ZINC000217232855 592103042 /nfs/dbraw/zinc/10/30/42/592103042.db2.gz KZFADGKWBVHUDF-CQSZACIVSA-N 0 0 246.350 3.597 20 70 BHIDRN CC(C)(C)[C@H](Cc1ccccc1)OC(=O)C1CC1 ZINC000217232857 592102922 /nfs/dbraw/zinc/10/29/22/592102922.db2.gz KZFADGKWBVHUDF-AWEZNQCLSA-N 0 0 246.350 3.597 20 70 BHIDRN CCCCc1ccc(NC(=O)NCC(C)C)cc1 ZINC000217269388 256840922 /nfs/dbraw/zinc/84/09/22/256840922.db2.gz ICWMBTVAZMYUFZ-UHFFFAOYSA-N 0 0 248.370 3.807 20 70 BHIDRN CCc1cccc(C)c1NC(=O)NC(CC)CC ZINC000217304930 171853909 /nfs/dbraw/zinc/85/39/09/171853909.db2.gz ULXQTQONUKDPFM-UHFFFAOYSA-N 0 0 248.370 3.868 20 70 BHIDRN CCCCN(CCCC)C(=O)NC(CC)CC ZINC000217304962 388570068 /nfs/dbraw/zinc/57/00/68/388570068.db2.gz MMOZWUXPRBAUEH-UHFFFAOYSA-N 0 0 242.407 3.787 20 70 BHIDRN CCC(CC)NC(=O)NC(C)(C)CC(C)(C)C ZINC000217304967 388569367 /nfs/dbraw/zinc/56/93/67/388569367.db2.gz HGWQBXRCKGQVEK-UHFFFAOYSA-N 0 0 242.407 3.689 20 70 BHIDRN CCc1ccccc1NC(=O)NC(CC)CC ZINC000217304995 385882066 /nfs/dbraw/zinc/88/20/66/385882066.db2.gz RVWUQGKKRCYMLE-UHFFFAOYSA-N 0 0 234.343 3.559 20 70 BHIDRN Cc1cc(C)cc(C(=O)OCc2cccs2)c1 ZINC000217386437 583171717 /nfs/dbraw/zinc/17/17/17/583171717.db2.gz DCNWCYUVKVQGGE-UHFFFAOYSA-N 0 0 246.331 3.722 20 70 BHIDRN CC(C)=CCOC(=O)C1(c2ccccc2)CCC1 ZINC000217404330 583171852 /nfs/dbraw/zinc/17/18/52/583171852.db2.gz PXFIMQFCFLANIL-UHFFFAOYSA-N 0 0 244.334 3.618 20 70 BHIDRN CC(C)=CCOC(=O)c1cc(Cl)ccc1F ZINC000217404796 592107513 /nfs/dbraw/zinc/10/75/13/592107513.db2.gz VEAKDUVMCSPQOF-UHFFFAOYSA-N 0 0 242.677 3.602 20 70 BHIDRN CC/C=C\CCOc1ccc(C(C)=O)cc1 ZINC000217438798 350056059 /nfs/dbraw/zinc/05/60/59/350056059.db2.gz OBFGBZYTUQYXKL-PLNGDYQASA-N 0 0 218.296 3.624 20 70 BHIDRN CC/C=C\CCOc1ccccc1C(C)=O ZINC000217459455 345744274 /nfs/dbraw/zinc/74/42/74/345744274.db2.gz IQQHJGCDWCZKMB-PLNGDYQASA-N 0 0 218.296 3.624 20 70 BHIDRN CC(C)CCOC(=O)c1ccc(Cl)s1 ZINC000217475091 592109626 /nfs/dbraw/zinc/10/96/26/592109626.db2.gz BJDNRQQYPQWATA-UHFFFAOYSA-N 0 0 232.732 3.604 20 70 BHIDRN CC(C)CCOC(=O)C(C)(C)c1ccccc1 ZINC000217478101 592110137 /nfs/dbraw/zinc/11/01/37/592110137.db2.gz ZRCPVNSBZOOMPB-UHFFFAOYSA-N 0 0 234.339 3.554 20 70 BHIDRN CC(C)CSCc1cnn(-c2ccccc2)c1 ZINC000217500790 134248694 /nfs/dbraw/zinc/24/86/94/134248694.db2.gz WJMCAPOUROPLRL-UHFFFAOYSA-N 0 0 246.379 3.762 20 70 BHIDRN Fc1cc(Cl)cc(NCCC(F)(F)F)c1 ZINC000217531166 388570189 /nfs/dbraw/zinc/57/01/89/388570189.db2.gz KJSJFCWFCBCQTE-UHFFFAOYSA-N 0 0 241.615 3.843 20 70 BHIDRN Cc1ccc(NC(=O)NCC2CCCCC2)cc1 ZINC000217585787 388570794 /nfs/dbraw/zinc/57/07/94/388570794.db2.gz NSQBXJVFWNHECB-UHFFFAOYSA-N 0 0 246.354 3.697 20 70 BHIDRN Cc1noc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000217587238 350064157 /nfs/dbraw/zinc/06/41/57/350064157.db2.gz BHWODKZITNIVFZ-UHFFFAOYSA-N 0 0 236.274 3.712 20 70 BHIDRN Cc1cccc(NC(=O)NCC2CCCCC2)c1 ZINC000217592384 388570838 /nfs/dbraw/zinc/57/08/38/388570838.db2.gz GGWLXCUDERRXTP-UHFFFAOYSA-N 0 0 246.354 3.697 20 70 BHIDRN CCCCN(C)C(=O)/C=C/Sc1ccccc1 ZINC000217683895 592148339 /nfs/dbraw/zinc/14/83/39/592148339.db2.gz YNPUDHRHYHDHIG-ZRDIBKRKSA-N 0 0 249.379 3.551 20 70 BHIDRN CCCCCS[C@@H](C)C(=O)OC(C)(C)C ZINC000217792503 387354751 /nfs/dbraw/zinc/35/47/51/387354751.db2.gz MHWPUGFVPLCJLE-JTQLQIEISA-N 0 0 232.389 3.640 20 70 BHIDRN CCCCCS[C@H](C)C(=O)OC(C)(C)C ZINC000217792599 388572848 /nfs/dbraw/zinc/57/28/48/388572848.db2.gz MHWPUGFVPLCJLE-SNVBAGLBSA-N 0 0 232.389 3.640 20 70 BHIDRN CCOCCOc1ccc([C@@H](C)CC)cc1 ZINC000217793122 387356968 /nfs/dbraw/zinc/35/69/68/387356968.db2.gz VAKFQNYJRXFNDW-LBPRGKRZSA-N 0 0 222.328 3.615 20 70 BHIDRN CCOCCOc1ccc([C@H](C)CC)cc1 ZINC000217793205 388572751 /nfs/dbraw/zinc/57/27/51/388572751.db2.gz VAKFQNYJRXFNDW-GFCCVEGCSA-N 0 0 222.328 3.615 20 70 BHIDRN CC[C@@H](C)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000217798186 387370352 /nfs/dbraw/zinc/37/03/52/387370352.db2.gz YLZLQQLKKRJFNT-DOMZBBRYSA-N 0 0 234.339 3.758 20 70 BHIDRN CC[C@H](C)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000217798268 388572369 /nfs/dbraw/zinc/57/23/69/388572369.db2.gz YLZLQQLKKRJFNT-WFASDCNBSA-N 0 0 234.339 3.758 20 70 BHIDRN CC[C@@H](C)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000217798347 388572777 /nfs/dbraw/zinc/57/27/77/388572777.db2.gz YLZLQQLKKRJFNT-IUODEOHRSA-N 0 0 234.339 3.758 20 70 BHIDRN CC[C@H](C)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000217798412 388572576 /nfs/dbraw/zinc/57/25/76/388572576.db2.gz YLZLQQLKKRJFNT-SWLSCSKDSA-N 0 0 234.339 3.758 20 70 BHIDRN CSCCOc1ccc(Cl)c(Cl)c1 ZINC000217821185 256750150 /nfs/dbraw/zinc/75/01/50/256750150.db2.gz UWSUXKFWKUXFSB-UHFFFAOYSA-N 0 0 237.151 3.735 20 70 BHIDRN CCc1cc(OCCSC)ccc1Cl ZINC000217823024 388573661 /nfs/dbraw/zinc/57/36/61/388573661.db2.gz HFGBZQVVHBCOJB-UHFFFAOYSA-N 0 0 230.760 3.644 20 70 BHIDRN CSCCOc1cccc(C(C)(C)C)c1 ZINC000217823602 388573782 /nfs/dbraw/zinc/57/37/82/388573782.db2.gz QZVCSJGZQCNNRO-UHFFFAOYSA-N 0 0 224.369 3.726 20 70 BHIDRN CCCCSCCc1cccs1 ZINC000217831269 592149649 /nfs/dbraw/zinc/14/96/49/592149649.db2.gz ATOWNKFIIMPZKP-UHFFFAOYSA-N 0 0 200.372 3.824 20 70 BHIDRN CC(C)CSCCc1cccs1 ZINC000217831358 592148919 /nfs/dbraw/zinc/14/89/19/592148919.db2.gz VNIBZDUJSGSNBP-UHFFFAOYSA-N 0 0 200.372 3.680 20 70 BHIDRN CSCCOc1ccc(C(C)C)c(C)c1 ZINC000217834633 388573874 /nfs/dbraw/zinc/57/38/74/388573874.db2.gz CBQAZTOLMJFGMR-UHFFFAOYSA-N 0 0 224.369 3.860 20 70 BHIDRN CSCCOc1cc(Cl)cc(Cl)c1 ZINC000217838858 256685613 /nfs/dbraw/zinc/68/56/13/256685613.db2.gz RGHFZUJMQXUTON-UHFFFAOYSA-N 0 0 237.151 3.735 20 70 BHIDRN Clc1ncccc1OC/C=C\c1ccccc1 ZINC000217849042 592150737 /nfs/dbraw/zinc/15/07/37/592150737.db2.gz YXQFFTWMPNLIGP-YVMONPNESA-N 0 0 245.709 3.827 20 70 BHIDRN C[C@H](F)CCOc1ccc(Br)cc1 ZINC000217849541 345744641 /nfs/dbraw/zinc/74/46/41/345744641.db2.gz HGEGATJAKHJXMD-QMMMGPOBSA-N 0 0 247.107 3.576 20 70 BHIDRN C[C@@H](F)CCOc1ccc(Br)cc1 ZINC000217849633 345744605 /nfs/dbraw/zinc/74/46/05/345744605.db2.gz HGEGATJAKHJXMD-MRVPVSSYSA-N 0 0 247.107 3.576 20 70 BHIDRN C[C@H](F)CCOc1ccccc1Br ZINC000217849861 345744609 /nfs/dbraw/zinc/74/46/09/345744609.db2.gz SXONTCHCWPDNTL-QMMMGPOBSA-N 0 0 247.107 3.576 20 70 BHIDRN C[C@@H](F)CCOc1ccccc1Br ZINC000217849941 363128890 /nfs/dbraw/zinc/12/88/90/363128890.db2.gz SXONTCHCWPDNTL-MRVPVSSYSA-N 0 0 247.107 3.576 20 70 BHIDRN C[C@H](F)CCOc1cccc(Br)c1 ZINC000217850184 345744126 /nfs/dbraw/zinc/74/41/26/345744126.db2.gz ZYJDSNFOKWBVEL-QMMMGPOBSA-N 0 0 247.107 3.576 20 70 BHIDRN C[C@@H](F)CCOc1cccc(Br)c1 ZINC000217850263 345744232 /nfs/dbraw/zinc/74/42/32/345744232.db2.gz ZYJDSNFOKWBVEL-MRVPVSSYSA-N 0 0 247.107 3.576 20 70 BHIDRN Clc1cncc(NCCCC2CCCC2)n1 ZINC000217874557 134250779 /nfs/dbraw/zinc/25/07/79/134250779.db2.gz AJVTXCSQADWJAR-UHFFFAOYSA-N 0 0 239.750 3.512 20 70 BHIDRN FCCCSc1ccc(Br)cc1 ZINC000217968962 345744341 /nfs/dbraw/zinc/74/43/41/345744341.db2.gz RPMRRIJCMGXYBK-UHFFFAOYSA-N 0 0 249.148 3.901 20 70 BHIDRN FCCCSc1ccccc1Br ZINC000217969254 345744562 /nfs/dbraw/zinc/74/45/62/345744562.db2.gz IIRHNNZBFRIFNP-UHFFFAOYSA-N 0 0 249.148 3.901 20 70 BHIDRN FCCCSc1cccc(Br)c1 ZINC000217969555 345744097 /nfs/dbraw/zinc/74/40/97/345744097.db2.gz JVZMMEUSTSUZTG-UHFFFAOYSA-N 0 0 249.148 3.901 20 70 BHIDRN CCCOC(=O)C[C@@H](CC)c1ccccc1 ZINC000218005589 582715488 /nfs/dbraw/zinc/71/54/88/582715488.db2.gz RIVSLAAQFKWDLF-GFCCVEGCSA-N 0 0 220.312 3.524 20 70 BHIDRN CCCOC(=O)C[C@H](CC)c1ccccc1 ZINC000218005678 582715545 /nfs/dbraw/zinc/71/55/45/582715545.db2.gz RIVSLAAQFKWDLF-LBPRGKRZSA-N 0 0 220.312 3.524 20 70 BHIDRN CCCCCCOC(=O)[C@@H](C)C(C)(C)C ZINC000218103716 582716204 /nfs/dbraw/zinc/71/62/04/582716204.db2.gz LVGWKFIWXNOHJA-LLVKDONJSA-N 0 0 214.349 3.792 20 70 BHIDRN CCCCCCOC(=O)[C@H](C)C(C)(C)C ZINC000218103816 582716218 /nfs/dbraw/zinc/71/62/18/582716218.db2.gz LVGWKFIWXNOHJA-NSHDSACASA-N 0 0 214.349 3.792 20 70 BHIDRN CC[C@@H](C)C(=O)O[C@@H](C)c1ccccc1Cl ZINC000218106550 592152193 /nfs/dbraw/zinc/15/21/93/592152193.db2.gz NVBOMRPDVWNYKL-ZJUUUORDSA-N 0 0 240.730 3.990 20 70 BHIDRN CC[C@H](C)C(=O)O[C@@H](C)c1ccccc1Cl ZINC000218106630 592152688 /nfs/dbraw/zinc/15/26/88/592152688.db2.gz NVBOMRPDVWNYKL-UWVGGRQHSA-N 0 0 240.730 3.990 20 70 BHIDRN CC[C@@H](C)C(=O)O[C@H](C)c1ccccc1Cl ZINC000218106720 592152509 /nfs/dbraw/zinc/15/25/09/592152509.db2.gz NVBOMRPDVWNYKL-NXEZZACHSA-N 0 0 240.730 3.990 20 70 BHIDRN CC[C@H](C)C(=O)O[C@H](C)c1ccccc1Cl ZINC000218106792 592151356 /nfs/dbraw/zinc/15/13/56/592151356.db2.gz NVBOMRPDVWNYKL-VHSXEESVSA-N 0 0 240.730 3.990 20 70 BHIDRN Fc1cccc(NCCC2=CCCCC2)n1 ZINC000218109463 134251322 /nfs/dbraw/zinc/25/13/22/134251322.db2.gz BOEOWIRUIMSAPT-UHFFFAOYSA-N 0 0 220.291 3.523 20 70 BHIDRN CC(C)(CNc1cccc(F)n1)c1ccccc1 ZINC000218120142 535156203 /nfs/dbraw/zinc/15/62/03/535156203.db2.gz UHJMYGBADUBVEC-UHFFFAOYSA-N 0 0 244.313 3.610 20 70 BHIDRN CCCc1ccc(NC(=O)[C@@H](C)CC)cc1 ZINC000218135553 592152112 /nfs/dbraw/zinc/15/21/12/592152112.db2.gz OKRHWQUYGIGXMR-NSHDSACASA-N 0 0 219.328 3.624 20 70 BHIDRN CCCc1ccc(NC(=O)[C@H](C)CC)cc1 ZINC000218135635 592152720 /nfs/dbraw/zinc/15/27/20/592152720.db2.gz OKRHWQUYGIGXMR-LLVKDONJSA-N 0 0 219.328 3.624 20 70 BHIDRN CC[C@@H](C)C(=O)Oc1cc(C)cc(C)c1C ZINC000218140520 592151995 /nfs/dbraw/zinc/15/19/95/592151995.db2.gz OQVZONXZEZPHHY-SNVBAGLBSA-N 0 0 220.312 3.563 20 70 BHIDRN CC[C@H](C)C(=O)Oc1cc(C)cc(C)c1C ZINC000218140600 592152422 /nfs/dbraw/zinc/15/24/22/592152422.db2.gz 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