smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](Cc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Cc1ccccc1 ZINC000036338512 581099860 /nfs/dbraw/zinc/09/98/60/581099860.db2.gz OOIMGNLMHOCHOG-UHFFFAOYSA-N 1 1 405.414 3.372 1 5 HGBFMO