smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)NCCCNCc1nccs1 ZINC000218086299 398325383 /nfs/dbraw/zinc/32/53/83/398325383.db2.gz UJJMRLMKCCPMDK-UHFFFAOYSA-N 0 1 249.361 0.172 20 70 BCIDMN NC(=O)[C@@H]1CN(CCC2CCCC2)CCO1 ZINC000159898602 345589388 /nfs/dbraw/zinc/58/93/88/345589388.db2.gz JZORPJCDBGUXIW-NSHDSACASA-N 0 1 226.320 0.753 20 70 BCIDMN CCc1nc(CN2CCOCC[C@H]2C)n[nH]1 ZINC000160535293 349119515 /nfs/dbraw/zinc/11/95/15/349119515.db2.gz NGOLQSODXJRWGQ-SECBINFHSA-N 0 1 224.308 0.978 20 70 BCIDMN CCc1nc(CN2CC[C@@H]([C@@H](C)O)C2)n[nH]1 ZINC000160718257 353269166 /nfs/dbraw/zinc/26/91/66/353269166.db2.gz DCOIVCQTFBHQRP-RKDXNWHRSA-N 0 1 224.308 0.570 20 70 BCIDMN C[C@@H](NC(=O)CN(C)C)C(=O)OC(C)(C)C ZINC000160107718 361299032 /nfs/dbraw/zinc/29/90/32/361299032.db2.gz FKWIWWLXGAWSCA-MRVPVSSYSA-N 0 1 230.308 0.394 20 70 BCIDMN CC(C)N(C)C(=O)[C@@H](C)N(C)C[C@@H](C)O 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BCIDMN Cc1nn(C)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160638637 180369386 /nfs/dbraw/zinc/36/93/86/180369386.db2.gz UIOSBXMTMWLNOF-PHIMTYICSA-N 0 1 248.330 0.695 20 70 BCIDMN CC(C)OCCNC(=O)[C@@H]1CCCN1C ZINC000159777047 538879154 /nfs/dbraw/zinc/87/91/54/538879154.db2.gz PLFNKTYXCVAIDB-JTQLQIEISA-N 0 1 214.309 0.622 20 70 BCIDMN C[C@@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1O)N(C)C ZINC000159895329 538880238 /nfs/dbraw/zinc/88/02/38/538880238.db2.gz QSTYBKZGFSQQGR-ZWKOPEQDSA-N 0 1 248.326 0.711 20 70 BCIDMN Cc1n[nH]cc1CN1CCC(CC(N)=O)CC1 ZINC000159840694 384363305 /nfs/dbraw/zinc/36/33/05/384363305.db2.gz GMHUXFLYGVEVFT-UHFFFAOYSA-N 0 1 236.319 0.806 20 70 BCIDMN CO[C@@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161268514 384480688 /nfs/dbraw/zinc/48/06/88/384480688.db2.gz JCRMIJRVRIOIEK-CBAPKCEASA-N 0 1 225.292 0.800 20 70 BCIDMN C[C@]1(O)CCCN(C(=O)c2cnc[nH]2)C1 ZINC000161040488 384851724 /nfs/dbraw/zinc/85/17/24/384851724.db2.gz UTVVWLKZPAJAHW-JTQLQIEISA-N 0 1 209.249 0.397 20 70 BCIDMN CC[C@](C)(O)CN(C)CC(=O)NC1CC1 ZINC000160484756 387097349 /nfs/dbraw/zinc/09/73/49/387097349.db2.gz VGEKMGDFIACYSS-NSHDSACASA-N 0 1 214.309 0.358 20 70 BCIDMN CN1CCN(C(=O)N[C@@H]2CCOC2)CC1(C)C ZINC000160574268 387105379 /nfs/dbraw/zinc/10/53/79/387105379.db2.gz SGAZXWPVIQEZDA-SNVBAGLBSA-N 0 1 241.335 0.511 20 70 BCIDMN CO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160469824 388068966 /nfs/dbraw/zinc/06/89/66/388068966.db2.gz GQPHVGXEBFZQTG-BBBLOLIVSA-N 0 1 212.293 0.374 20 70 BCIDMN CCc1nnc(CN[C@H](COC)C2CC2)[nH]1 ZINC000160626111 388079439 /nfs/dbraw/zinc/07/94/39/388079439.db2.gz XEIWXIMFROVSBO-SECBINFHSA-N 0 1 224.308 0.882 20 70 BCIDMN COC(=O)[C@@H]1CCCCN1C(=O)CN(C)C ZINC000218032210 134250855 /nfs/dbraw/zinc/25/08/55/134250855.db2.gz ZOKDLBCSZJCBHS-VIFPVBQESA-N 0 1 228.292 0.102 20 70 BCIDMN CC[C@@H](CCO)NCc1ncnn1CC ZINC000217800011 411547977 /nfs/dbraw/zinc/54/79/77/411547977.db2.gz HMFBMRMGZJFAKB-VIFPVBQESA-N 0 1 212.297 0.549 20 70 BCIDMN CC(C)CN(CC(N)=O)C(=O)CN(C)C(C)C 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