smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(CC(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000216899182 394452881 /nfs/dbraw/zinc/45/28/81/394452881.db2.gz BJKMMXHKVGDSCV-UHFFFAOYSA-N 1 3 295.471 2.101 40 70 CEIBHO