smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(/C=N/c2ccccc2[O-])cc1 ZINC000000046365 188272807 /nfs/dbraw/zinc/27/28/07/188272807.db2.gz ACVWDQCEFHZVPE-XNTDXEJSSA-N -1 3 243.331 3.865 50 30 BHEAHM CCOc1ccccc1/C=N/c1ccc([O-])cc1 ZINC000000047880 342671354 /nfs/dbraw/zinc/67/13/54/342671354.db2.gz BQCJWTSQYFNJQD-LFIBNONCSA-N -1 3 241.290 3.542 50 30 BHEAHM Cc1ccc(/N=C/c2ccc([O-])cc2)cc1F ZINC000000047886 178360121 /nfs/dbraw/zinc/36/01/21/178360121.db2.gz KAJUKXJNSCHWEF-CXUHLZMHSA-N -1 3 229.254 3.590 50 30 BHEAHM [O-]c1cccc(/C=N/c2ccccc2Cl)c1O ZINC000000065659 183287937 /nfs/dbraw/zinc/28/79/37/183287937.db2.gz YIHJXXDTCOFZGJ-OVCLIPMQSA-N -1 3 247.681 3.502 50 30 BHEAHM Cc1ccc(/N=C/c2ccccc2[O-])cc1F ZINC000000065736 178359423 /nfs/dbraw/zinc/35/94/23/178359423.db2.gz RPASICUGIQKHLY-CXUHLZMHSA-N -1 3 229.254 3.590 50 30 BHEAHM CCOc1ccc(/C=N/c2cccc([O-])c2)cc1 ZINC000000065748 342672436 /nfs/dbraw/zinc/67/24/36/342672436.db2.gz KGZXEYIVPHJIRL-LFIBNONCSA-N -1 3 241.290 3.542 50 30 BHEAHM Cc1cccc(/C=N/c2ccc(C)cc2[O-])c1 ZINC000000065825 383822311 /nfs/dbraw/zinc/82/23/11/383822311.db2.gz RYDBZWBHXSXOKB-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM Cc1cc(C)cc(/N=C/c2ccc([O-])cc2)c1 ZINC000000065840 383822156 /nfs/dbraw/zinc/82/21/56/383822156.db2.gz MGHBKHNJNTTWSV-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM Cc1ccc(C)c(/N=C/c2ccc([O-])cc2)c1 ZINC000000065861 383821159 /nfs/dbraw/zinc/82/11/59/383821159.db2.gz ARFDRHTTWLILFC-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM Cc1ccc(/N=C/c2cccc([O-])c2)cc1F ZINC000000065924 178359461 /nfs/dbraw/zinc/35/94/61/178359461.db2.gz BDQJIQXNYNMJBE-CXUHLZMHSA-N -1 3 229.254 3.590 50 30 BHEAHM [O-]c1cccc(/N=C/c2c[nH]c3ccccc23)c1 ZINC000000065981 183287188 /nfs/dbraw/zinc/28/71/88/183287188.db2.gz RKLRHYFVKWNMLN-CXUHLZMHSA-N -1 3 236.274 3.624 50 30 BHEAHM CSc1ccc(/C=N/c2cccc([O-])c2)cc1 ZINC000000066177 383821700 /nfs/dbraw/zinc/82/17/00/383821700.db2.gz WSLCITATLITJKC-XNTDXEJSSA-N -1 3 243.331 3.865 50 30 BHEAHM [O-]c1ccc2ccccc2c1/N=C/c1ccccn1 ZINC000000078782 183284334 /nfs/dbraw/zinc/28/43/34/183284334.db2.gz MHHHQJDLVWRZAU-WOJGMQOQSA-N -1 3 248.285 3.691 50 30 BHEAHM Cc1ccsc1/C=N/c1ccccc1[O-] ZINC000000096243 342673982 /nfs/dbraw/zinc/67/39/82/342673982.db2.gz JKFAGSPROSESBM-MDWZMJQESA-N -1 3 217.293 3.513 50 30 BHEAHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccccc1 ZINC000000145518 183273788 /nfs/dbraw/zinc/27/37/88/183273788.db2.gz HFGUYEVGJIJJLH-MHWRWJLKSA-N -1 3 245.709 3.665 50 30 BHEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccccc1F ZINC000000145535 183274174 /nfs/dbraw/zinc/27/41/74/183274174.db2.gz ULFWXQFFPMLFML-LZYBPNLTSA-N -1 3 249.672 3.935 50 30 BHEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(F)cc1 ZINC000000145543 183273202 /nfs/dbraw/zinc/27/32/02/183273202.db2.gz MPCQIKVOULPDRF-LZYBPNLTSA-N -1 3 249.672 3.935 50 30 BHEAHM [O-]c1ccc2ccccc2c1/C=N/c1cccnc1 ZINC000000226996 183284954 /nfs/dbraw/zinc/28/49/54/183284954.db2.gz URFRPBXPIPHXNL-WOJGMQOQSA-N -1 3 248.285 3.691 50 30 BHEAHM CCOc1ccc(/C=N/c2ccccc2)c([O-])c1 ZINC000000240755 342681200 /nfs/dbraw/zinc/68/12/00/342681200.db2.gz OYLXRUQQHRPGQJ-LFIBNONCSA-N -1 3 241.290 3.542 50 30 BHEAHM CCOc1ccc(/C=N/c2ccc([O-])cc2)cc1 ZINC000000244733 344657975 /nfs/dbraw/zinc/65/79/75/344657975.db2.gz SPTASZZUGLAYNA-LFIBNONCSA-N -1 3 241.290 3.542 50 30 BHEAHM [O-]c1ccc(/N=C/c2c[nH]c3ccccc23)cc1 ZINC000000257158 183267063 /nfs/dbraw/zinc/26/70/63/183267063.db2.gz YSJOHAQUDMOXRF-CXUHLZMHSA-N -1 3 236.274 3.624 50 30 BHEAHM [O-]c1ccccc1/C=N/c1ccc2ncccc2c1 ZINC000000261982 183300774 /nfs/dbraw/zinc/30/07/74/183300774.db2.gz SVTZUXNEUAIBSQ-WOJGMQOQSA-N -1 3 248.285 3.691 50 30 BHEAHM [O-]c1cccc(/C=N/c2ccc(Cl)cc2)c1O ZINC000000283158 183287632 /nfs/dbraw/zinc/28/76/32/183287632.db2.gz YSKDSXHNNKVTGV-OVCLIPMQSA-N -1 3 247.681 3.502 50 30 BHEAHM CC(C)(C)c1cc(/C=N/[O-])c(O)c(C(C)(C)C)c1 ZINC000000297390 383853481 /nfs/dbraw/zinc/85/34/81/383853481.db2.gz OLGWQHUJCKJMLI-CXUHLZMHSA-N -1 3 249.354 3.795 50 30 BHEAHM Cc1ccc(/N=C/c2ccccc2C)c([O-])c1 ZINC000000298322 178359742 /nfs/dbraw/zinc/35/97/42/178359742.db2.gz FADHMUOVAQGCPW-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM Cc1ccc(/N=C2\CCc3cccc([O-])c32)cc1 ZINC000000349577 178359308 /nfs/dbraw/zinc/35/93/08/178359308.db2.gz HQMDLGICZFBOOB-SAPNQHFASA-N -1 3 237.302 3.768 50 30 BHEAHM Cc1ccc(/C=N/c2cc(C)ccc2[O-])cc1 ZINC000000356449 342684649 /nfs/dbraw/zinc/68/46/49/342684649.db2.gz VNYZXNKQSBAMBS-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM Cc1cccc(/C=N/c2cc(C)ccc2[O-])c1 ZINC000000357318 383858527 /nfs/dbraw/zinc/85/85/27/383858527.db2.gz QFAHNPMQMRLXKF-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM [O-]c1ccccc1/C=N/c1nccc2ccccc21 ZINC000000386451 183299107 /nfs/dbraw/zinc/29/91/07/183299107.db2.gz XJAQXZBZCNORKG-WOJGMQOQSA-N -1 3 248.285 3.691 50 30 BHEAHM [O-]c1ccc(/C=N/c2ccc(Cl)cc2)cc1 ZINC000000433200 183266977 /nfs/dbraw/zinc/26/69/77/183266977.db2.gz QNBYXBOWHMRRAX-OQLLNIDSSA-N -1 3 231.682 3.796 50 30 BHEAHM Cc1ccc(/N=C/c2ccc([O-])cc2)cc1C ZINC000000487336 178360402 /nfs/dbraw/zinc/36/04/02/178360402.db2.gz DLVBEDRLFHKVQQ-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM CCOc1ccc(/N=C/c2ccc([O-])cc2)cc1 ZINC000000493582 356359228 /nfs/dbraw/zinc/35/92/28/356359228.db2.gz MEYXUKYINZWWBO-LFIBNONCSA-N -1 3 241.290 3.542 50 30 BHEAHM [O-]c1cc(/C=N/c2ccc(Cl)cc2)ccc1O ZINC000000561350 183267382 /nfs/dbraw/zinc/26/73/82/183267382.db2.gz LCOKEDZUTVJLKM-OVCLIPMQSA-N -1 3 247.681 3.502 50 30 BHEAHM CCOc1ccccc1/C=N/c1cccc([O-])c1 ZINC000000566872 342690389 /nfs/dbraw/zinc/69/03/89/342690389.db2.gz SATRVNOEIDPIFG-LFIBNONCSA-N -1 3 241.290 3.542 50 30 BHEAHM [O-]c1cccc(/C=N/c2ccc(Cl)cc2)c1 ZINC000000571114 183288516 /nfs/dbraw/zinc/28/85/16/183288516.db2.gz SQUINBCHDKWKPM-OQLLNIDSSA-N -1 3 231.682 3.796 50 30 BHEAHM [O-]c1ccccc1/C=N\c1ccc(F)c(Cl)c1 ZINC000001090680 183299088 /nfs/dbraw/zinc/29/90/88/183299088.db2.gz YQJKZORFKYYLMC-PXNMLYILSA-N -1 3 249.672 3.935 50 30 BHEAHM CCCCCCCOC(=O)c1ccc([O-])cc1 ZINC000001568932 383905230 /nfs/dbraw/zinc/90/52/30/383905230.db2.gz ZTJORNVITHUQJA-UHFFFAOYSA-N -1 3 236.311 3.519 50 30 endogenous,in-man BHEAHM [O-]c1ccc(/C=N/c2cccc(Cl)c2)cc1 ZINC000002143582 183268172 /nfs/dbraw/zinc/26/81/72/183268172.db2.gz GSOSBTHBURQGAR-OQLLNIDSSA-N -1 3 231.682 3.796 50 30 BHEAHM CCc1ccc(/N=C/c2ccc([O-])cc2)cc1 ZINC000002143601 356365182 /nfs/dbraw/zinc/36/51/82/356365182.db2.gz DLEOYSNRPZLRQG-LFIBNONCSA-N -1 3 225.291 3.705 50 30 BHEAHM [O-]c1ccccc1/C=N\c1cccc(Cl)c1 ZINC000002163590 183299283 /nfs/dbraw/zinc/29/92/83/183299283.db2.gz LNPIEQXKHFAABI-DHDCSXOGSA-N -1 3 231.682 3.796 50 30 BHEAHM CSc1cccc(/N=C\c2ccccc2[O-])c1 ZINC000002163597 363504359 /nfs/dbraw/zinc/50/43/59/363504359.db2.gz YAGFWFKGIJYKRQ-GDNBJRDFSA-N -1 3 243.331 3.865 50 30 BHEAHM Cc1cc(C)cc(/N=C/c2ccccc2[O-])c1 ZINC000002171059 387240457 /nfs/dbraw/zinc/24/04/57/387240457.db2.gz CYZZXVVZGARMGX-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM CC(C)=CCC[C@H](C)/N=C/c1ccccc1[O-] ZINC000002475149 491125875 /nfs/dbraw/zinc/12/58/75/491125875.db2.gz VFWXIRLREKUQMU-XDUBLRSXSA-N -1 3 231.339 3.946 50 30 BHEAHM [O-]/N=C(\c1ccccc1)[C@@H]1CC2CCC1CC2 ZINC000004321917 384056247 /nfs/dbraw/zinc/05/62/47/384056247.db2.gz SJRJHXJXHYQAPT-CQFXSTRISA-N -1 3 229.323 3.691 50 30 BHEAHM [O-]/N=C(\Nc1cccc(Cl)c1)c1ccccc1 ZINC000004335882 386534591 /nfs/dbraw/zinc/53/45/91/386534591.db2.gz TWSAUTLVXZUWRY-UHFFFAOYSA-N -1 3 246.697 3.588 50 30 BHEAHM CCCCOc1ccc(/C(C)=N/[O-])cc1Cl ZINC000004365153 342857713 /nfs/dbraw/zinc/85/77/13/342857713.db2.gz UTHPBBVDPVGVST-NTEUORMPSA-N -1 3 241.718 3.717 50 30 BHEAHM [O-]/N=C(\c1ccccc1)[C@H]1CC2CCC1CC2 ZINC000004474351 384062266 /nfs/dbraw/zinc/06/22/66/384062266.db2.gz SJRJHXJXHYQAPT-VNSWKGLFSA-N -1 3 229.323 3.691 50 30 BHEAHM [O-]/N=C(\c1ccccc1)c1ccc(Cl)cc1 ZINC000004693328 384075816 /nfs/dbraw/zinc/07/58/16/384075816.db2.gz NIMKUYDSEKAHMG-FYWRMAATSA-N -1 3 231.682 3.567 50 30 BHEAHM CC/C(=N\[O-])c1cc(Cl)ccc1Cl ZINC000004783906 384079651 /nfs/dbraw/zinc/07/96/51/384079651.db2.gz AUNLCDXZWHNEPS-FMIVXFBMSA-N -1 3 218.083 3.582 50 30 BHEAHM Cc1ccc(C(=O)/C=C\c2ccccc2[O-])cc1 ZINC000005052247 178370625 /nfs/dbraw/zinc/37/06/25/178370625.db2.gz WWNBWYJVZCFWRS-KHPPLWFESA-N -1 3 238.286 3.597 50 30 BHEAHM [O-]c1ccc(Cl)cc1/C=N/c1cccc(F)c1 ZINC000005286763 183273872 /nfs/dbraw/zinc/27/38/72/183273872.db2.gz JBAVLOGIZIWPKC-LZYBPNLTSA-N -1 3 249.672 3.935 50 30 BHEAHM [O-]c1ccccc1/C=N\c1ccc(Cl)cc1F ZINC000005287286 183300501 /nfs/dbraw/zinc/30/05/01/183300501.db2.gz ZLVVASPTWGDYQP-PXNMLYILSA-N -1 3 249.672 3.935 50 30 BHEAHM Cc1ccc(F)cc1/N=C\c1ccccc1[O-] ZINC000005287298 346180825 /nfs/dbraw/zinc/18/08/25/346180825.db2.gz OVZMWSIICVLEAM-SXGWCWSVSA-N -1 3 229.254 3.590 50 30 BHEAHM [O-]c1ccccc1/C=N\c1ccc(F)cc1Cl ZINC000005287525 183299909 /nfs/dbraw/zinc/29/99/09/183299909.db2.gz KZXRJDILJAEPCC-PXNMLYILSA-N -1 3 249.672 3.935 50 30 BHEAHM Cc1ccc(/N=C\c2ccccc2[O-])c(F)c1 ZINC000005288154 178359169 /nfs/dbraw/zinc/35/91/69/178359169.db2.gz GELNGPWSOBWSSS-SXGWCWSVSA-N -1 3 229.254 3.590 50 30 BHEAHM [O-]c1ccccc1/C=N\c1ccc2c(c1)CCC2 ZINC000005288970 183299378 /nfs/dbraw/zinc/29/93/78/183299378.db2.gz CUBNDWWMCBJZBL-BOPFTXTBSA-N -1 3 237.302 3.632 50 30 BHEAHM Cc1cc(F)ccc1/N=C\c1ccccc1[O-] ZINC000005289746 178080452 /nfs/dbraw/zinc/08/04/52/178080452.db2.gz UBYFQUHHBRRZKO-SXGWCWSVSA-N -1 3 229.254 3.590 50 30 BHEAHM [O-]c1ccccc1/C=N\c1cccc(Cl)c1F ZINC000005290523 183299986 /nfs/dbraw/zinc/29/99/86/183299986.db2.gz IMMQPCKQYAZUIT-PXNMLYILSA-N -1 3 249.672 3.935 50 30 BHEAHM CCCCC/C(=N\O)c1cc(Cl)ccc1[O-] ZINC000005417745 342763657 /nfs/dbraw/zinc/76/36/57/342763657.db2.gz YVXVRVORXVRTNW-SDNWHVSQSA-N -1 3 241.718 3.804 50 30 BHEAHM CC(=NNc1ccccc1)c1ccc(C)cc1[O-] ZINC000005542508 188103183 /nfs/dbraw/zinc/10/31/83/188103183.db2.gz MCDVSGSOWZYEAM-FOWTUZBSSA-N -1 3 240.306 3.537 50 30 BHEAHM [O-]c1cc(O)ccc1/C=N/c1ccc(Cl)cc1 ZINC000005569339 183267147 /nfs/dbraw/zinc/26/71/47/183267147.db2.gz FZZFKSJYDAYEIA-OVCLIPMQSA-N -1 3 247.681 3.502 50 30 BHEAHM [O-]c1ccc(/C=N/c2ccc(Cl)cc2)c(O)c1 ZINC000005569339 183267145 /nfs/dbraw/zinc/26/71/45/183267145.db2.gz FZZFKSJYDAYEIA-OVCLIPMQSA-N -1 3 247.681 3.502 50 30 BHEAHM [O-]/N=C(\Nc1ccccc1Cl)c1ccccc1 ZINC000005899076 490044963 /nfs/dbraw/zinc/04/49/63/490044963.db2.gz SXBSIEAYPWTOOY-UHFFFAOYSA-N -1 3 246.697 3.588 50 30 BHEAHM C/C(=N/c1ccc(F)cc1)c1ccccc1[O-] ZINC000006022021 342772636 /nfs/dbraw/zinc/77/26/36/342772636.db2.gz ZBAFSZIRGDCMFE-YBEGLDIGSA-N -1 3 229.254 3.672 50 30 BHEAHM Cc1ccc(F)c(/N=C/c2ccccc2[O-])c1 ZINC000006945716 342786549 /nfs/dbraw/zinc/78/65/49/342786549.db2.gz KDLSPERXNIBWOT-CXUHLZMHSA-N -1 3 229.254 3.590 50 30 BHEAHM [O-]/N=C(\Sc1ccccc1)c1ccccc1 ZINC000007078263 384173177 /nfs/dbraw/zinc/17/31/77/384173177.db2.gz ASDYTEZDHOZKMN-YPKPFQOOSA-N -1 3 229.304 3.615 50 30 BHEAHM C/C(=N/C1CCCCC1)c1ccccc1[O-] ZINC000013099309 323235718 /nfs/dbraw/zinc/23/57/18/323235718.db2.gz ZCCKPCBSASQBNL-PTNGSMBKSA-N -1 3 217.312 3.534 50 30 in-vitro BHEAHM CCCCCC/N=C(\C)c1ccccc1[O-] ZINC000013123129 188341974 /nfs/dbraw/zinc/34/19/74/188341974.db2.gz VUZZBRFYYSTUHS-NTCAYCPXSA-N -1 3 219.328 3.782 50 30 BHEAHM [O-]/N=C(\Nc1ccc(Cl)cc1)c1ccccc1 ZINC000013133119 388005995 /nfs/dbraw/zinc/00/59/95/388005995.db2.gz KJQNTRAJCGCQSE-UHFFFAOYSA-N -1 3 246.697 3.588 50 30 BHEAHM [O-]/N=C(\Nc1ccccc1)c1ccc(Cl)cc1 ZINC000013142215 388728313 /nfs/dbraw/zinc/72/83/13/388728313.db2.gz FXLBBBVRAIJTQR-UHFFFAOYSA-N -1 3 246.697 3.588 50 30 BHEAHM [O-]/N=C(\Nc1ccccc1)c1ccccc1Cl ZINC000013142309 388729373 /nfs/dbraw/zinc/72/93/73/388729373.db2.gz XIIGKOROQYZOQO-UHFFFAOYSA-N -1 3 246.697 3.588 50 30 BHEAHM COc1ccc(/C(CC2CCCCC2)=N\[O-])cc1 ZINC000013403405 175046177 /nfs/dbraw/zinc/04/61/77/175046177.db2.gz IIIPACUPXNRFDV-NXVVXOECSA-N -1 3 247.338 3.844 50 30 BHEAHM [O-]c1ccccc1/C=N/c1ccc(Cl)cc1 ZINC000013406334 183300711 /nfs/dbraw/zinc/30/07/11/183300711.db2.gz OZLVEHYXNFJUFS-OQLLNIDSSA-N -1 3 231.682 3.796 50 30 BHEAHM Cc1cccc(/N=C/c2ccccc2[O-])c1C ZINC000016951221 386588083 /nfs/dbraw/zinc/58/80/83/386588083.db2.gz CGAZQAQAVMZWCB-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM Cc1cccc(C)c1/N=C\c1ccccc1[O-] ZINC000016951223 179028491 /nfs/dbraw/zinc/02/84/91/179028491.db2.gz GZIINMPSUAXFFL-YBEGLDIGSA-N -1 3 225.291 3.760 50 30 BHEAHM Cc1ccc(/N=C/c2ccccc2[O-])cc1C ZINC000016951224 178360258 /nfs/dbraw/zinc/36/02/58/178360258.db2.gz UMZBCFICQFILIB-MHWRWJLKSA-N -1 3 225.291 3.760 50 30 BHEAHM CCc1ccc(/N=C\c2ccccc2[O-])cc1 ZINC000016951225 342917834 /nfs/dbraw/zinc/91/78/34/342917834.db2.gz OLUGVEIBZJDJFG-WJDWOHSUSA-N -1 3 225.291 3.705 50 30 BHEAHM Cc1ccc(C(=O)/C=C/c2ccccc2[O-])cc1 ZINC000016954452 178368160 /nfs/dbraw/zinc/36/81/60/178368160.db2.gz WWNBWYJVZCFWRS-ZHACJKMWSA-N -1 3 238.286 3.597 50 30 BHEAHM [O-]c1ccccc1/N=C/c1ccccc1Cl ZINC000017289254 183300130 /nfs/dbraw/zinc/30/01/30/183300130.db2.gz FXGMXVFSQYHGIU-OQLLNIDSSA-N -1 3 231.682 3.796 50 30 BHEAHM C[C@@H](/C(=N/[O-])c1ccccc1)c1ccccc1 ZINC000017300307 363092291 /nfs/dbraw/zinc/09/22/91/363092291.db2.gz YTKPYWFDRHHTTK-KXEGMRRWSA-N -1 3 225.291 3.669 50 30 BHEAHM C[C@H](/C(=N/[O-])c1ccccc1)c1ccccc1 ZINC000017300309 363092220 /nfs/dbraw/zinc/09/22/20/363092220.db2.gz YTKPYWFDRHHTTK-SUQMRRJOSA-N -1 3 225.291 3.669 50 30 BHEAHM CCOc1ccc(/N=C/c2ccccc2[O-])cc1 ZINC000017353454 342923979 /nfs/dbraw/zinc/92/39/79/342923979.db2.gz IJWFUEBTMMXDMR-LFIBNONCSA-N -1 3 241.290 3.542 50 30 BHEAHM C[C@@H](/N=C/c1ccccc1[O-])c1ccccc1 ZINC000017353588 342923975 /nfs/dbraw/zinc/92/39/75/342923975.db2.gz KXFHUWSZKOXLFW-PILJQMSFSA-N -1 3 225.291 3.572 50 30 BHEAHM CSc1ccc(/N=C\c2ccccc2[O-])cc1 ZINC000017422230 188106912 /nfs/dbraw/zinc/10/69/12/188106912.db2.gz WKSZACZFFDBTNB-GDNBJRDFSA-N -1 3 243.331 3.865 50 30 BHEAHM Cc1ccc(/N=C/c2ccccc2[O-])c(C)c1 ZINC000017427574 178359519 /nfs/dbraw/zinc/35/95/19/178359519.db2.gz 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