smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2c(-c3cc(Br)c(O)c(OC)c3)oc(/C=N\NC(=O)C[N+](C)(C)C)c2[N+](=O)[O-])cc(Br)c1[O-] ZINC000150574781 717154237 /nfs/dbraw/zinc/15/42/37/717154237.db2.gz FNPSLLWPCNRMJX-UHFFFAOYSA-O 0 0 657.292 4.632 50 50 KJGARN