smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1Nc1c(C)c(C)[nH+]c2c(C)cccc12 ZINC000217442966 567167456 /nfs/dbraw/zinc/16/74/56/567167456.db2.gz KIAAMVIVXYFHLH-UHFFFAOYSA-N 1 0 276.383 5.212 40 70 CKIBRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccccc2)cc1NC(C)C ZINC000218319361 566845327 /nfs/dbraw/zinc/84/53/27/566845327.db2.gz DRCKSXGJLQYKNR-QGZVFWFLSA-N 1 0 296.458 5.008 40 70 CKIBRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccccc2)cc1NC(C)C ZINC000218319443 265324880 /nfs/dbraw/zinc/32/48/80/265324880.db2.gz DRCKSXGJLQYKNR-KRWDZBQOSA-N 1 0 296.458 5.008 40 70 CKIBRO CCCNc1cc([C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C ZINC000218319541 265326839 /nfs/dbraw/zinc/32/68/39/265326839.db2.gz XADYFRQWMUHQAQ-QGZVFWFLSA-N 1 0 296.458 5.010 40 70 CKIBRO CCCNc1cc([C@H](C)[N@H+](C)Cc2ccccc2)ccc1C ZINC000218319639 265327898 /nfs/dbraw/zinc/32/78/98/265327898.db2.gz XADYFRQWMUHQAQ-KRWDZBQOSA-N 1 0 296.458 5.010 40 70 CKIBRO CCNc1cc([C@@H](C)[N@H+](CC)Cc2ccccc2)ccc1C ZINC000218320445 567182635 /nfs/dbraw/zinc/18/26/35/567182635.db2.gz PCTKOQVYSXFABG-QGZVFWFLSA-N 1 0 296.458 5.010 40 70 CKIBRO CCNc1cc([C@H](C)[N@H+](CC)Cc2ccccc2)ccc1C ZINC000218320551 567182804 /nfs/dbraw/zinc/18/28/04/567182804.db2.gz PCTKOQVYSXFABG-KRWDZBQOSA-N 1 0 296.458 5.010 40 70 CKIBRO CCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC)c1 ZINC000218321555 566845115 /nfs/dbraw/zinc/84/51/15/566845115.db2.gz WNVGSQTUIJWVAA-KRWDZBQOSA-N 1 0 296.458 5.010 40 70 CKIBRO CCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC)c1 ZINC000218321672 566845353 /nfs/dbraw/zinc/84/53/53/566845353.db2.gz WNVGSQTUIJWVAA-QGZVFWFLSA-N 1 0 296.458 5.010 40 70 CKIBRO