smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C2([N+](=O)[O-])CN(CCO)CC1([N+](=O)[O-])C[NH+](CCO)C2 ZINC000019312952 374350175 /nfs/dbraw/zinc/35/01/75/374350175.db2.gz LWXSZFCFSJDMNV-UHFFFAOYSA-N 1 2 332.357 -1.341 50 5 EABALO