smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1cc([N+](=O)[O-])ccc1[O-] 19801375 166383415 /nfs/dbraw/zinc/38/34/15/166383415.db2.gz WPLSSAJHDAQNCO-UHFFFAOYSA-N -1 1 195.218 2.598 50 5 in-vitro AFBAMM Cc1cc([O-])c(C(C)C)cc1[N+](=O)[O-] 19848935 343061964 /nfs/dbraw/zinc/06/19/64/343061964.db2.gz OGPLVXFNLLOORV-UHFFFAOYSA-N -1 1 195.218 2.732 50 5 AFBAMM