smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(N3CC[NH+](C)CC3)nc21 ZINC000026817335 136153390 /nfs/dbraw/zinc/15/33/90/136153390.db2.gz RMVVPXBMEBRLII-UHFFFAOYSA-N 0 2 361.358 0.775 1 5 FCBFLN