smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000217059179 566906552 /nfs/dbraw/zinc/90/65/52/566906552.db2.gz YYRULRUQNIGKAF-ZDUSSCGKSA-N -1 1 299.370 3.044 50 70 CGIAMM COC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000217059145 566906584 /nfs/dbraw/zinc/90/65/84/566906584.db2.gz YYRULRUQNIGKAF-CYBMUJFWSA-N -1 1 299.370 3.044 50 70 CGIAMM