smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(N=[NH2+])c(C)c1 ZINC000101013803 167176728 /nfs/dbraw/zinc/17/67/28/167176728.db2.gz KTZVBDUWDXUASA-UHFFFAOYSA-N 1 2 191.278 3.504 50 10 AHCALO