smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1CCC([NH2+]Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCCCCC3)c2)CC1 ZINC000015066037 568635396 /nfs/dbraw/zinc/63/53/96/568635396.db2.gz YTYVZMPWRRGCES-DEOSSOPVSA-N 2 3 447.664 3.665 10 0 IHAEHP CCCN1CCC([NH2+]Cc2ccc(OC)c(OC[C@H](O)C[NH+]3CCCCCCC3)c2)CC1 ZINC000015066038 568635193 /nfs/dbraw/zinc/63/51/93/568635193.db2.gz YTYVZMPWRRGCES-XMMPIXPASA-N 2 3 447.664 3.665 10 0 IHAEHP