smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2c2ccccc12 ZINC000004901063 181170145 /nfs/dbraw/zinc/17/01/45/181170145.db2.gz AGDCNSCUNZTZLX-FQEVSTJZSA-N 1 1 319.404 4.130 40 5 DIBBMO