smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOC[C@@H](O)Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004317987 1074857827 /nfs/dbraw/zinc/85/78/27/1074857827.db2.gz RVBAWNBVOSCRAL-LBPRGKRZSA-N 1 1 378.433 -1.261 50 30 GAEAMO C=CCOC[C@H](O)Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004317988 1074857955 /nfs/dbraw/zinc/85/79/55/1074857955.db2.gz RVBAWNBVOSCRAL-GFCCVEGCSA-N 1 1 378.433 -1.261 50 30 GAEAMO