smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc([O-])c(C23CC4CC(C2)CC(c2cc([N+](=O)[O-])ccc2[O-])(C4)C3)c1 ZINC000012428559 569401174 /nfs/dbraw/zinc/40/11/74/569401174.db2.gz SOBGCFKNINSGNC-UHFFFAOYSA-N -2 3 410.426 4.704 50 5 HJBAHL