smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2c(Nc3ccccc3)cc(/C=C/c3ccccc3)[nH+]c12 ZINC000217446667 241250935 /nfs/dbraw/zinc/25/09/35/241250935.db2.gz HYNFTWUQIKWUSQ-FOCLMDBBSA-N 1 1 336.438 6.457 40 70 EKIBMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2)cc1NCc1ccccc1 ZINC000218319937 564159702 /nfs/dbraw/zinc/15/97/02/564159702.db2.gz RPZWDHLKDCNXRX-HXUWFJFHSA-N 1 1 344.502 5.800 40 70 EKIBMO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2)cc1NCc1ccccc1 ZINC000218320001 564159667 /nfs/dbraw/zinc/15/96/67/564159667.db2.gz RPZWDHLKDCNXRX-FQEVSTJZSA-N 1 1 344.502 5.800 40 70 EKIBMO CCCCNc1cc([C@@H](C)[N@@H+](CCC)Cc2ccccc2)ccc1C ZINC000218322323 564159743 /nfs/dbraw/zinc/15/97/43/564159743.db2.gz CFQCGOJGOXTFIF-HXUWFJFHSA-N 1 1 338.539 6.180 40 70 EKIBMO CCCCNc1cc([C@H](C)[N@@H+](CCC)Cc2ccccc2)ccc1C ZINC000218322390 564159739 /nfs/dbraw/zinc/15/97/39/564159739.db2.gz CFQCGOJGOXTFIF-FQEVSTJZSA-N 1 1 338.539 6.180 40 70 EKIBMO CCCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(C)C)c1 ZINC000218323303 564057956 /nfs/dbraw/zinc/05/79/56/564057956.db2.gz QQIUMGFFDYJADI-FQEVSTJZSA-N 1 1 338.539 6.179 40 70 EKIBMO CCCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(C)C)c1 ZINC000218323392 564057970 /nfs/dbraw/zinc/05/79/70/564057970.db2.gz QQIUMGFFDYJADI-HXUWFJFHSA-N 1 1 338.539 6.179 40 70 EKIBMO CCCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCCC)c1 ZINC000218323504 564057965 /nfs/dbraw/zinc/05/79/65/564057965.db2.gz NHCNPBZDZYNWKF-FQEVSTJZSA-N 1 1 338.539 6.180 40 70 EKIBMO CCCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCCC)c1 ZINC000218323585 564058018 /nfs/dbraw/zinc/05/80/18/564058018.db2.gz NHCNPBZDZYNWKF-HXUWFJFHSA-N 1 1 338.539 6.180 40 70 EKIBMO