smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2[nH]c(=NN)n(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O ZINC000009242459 221075606 /nfs/dbraw/zinc/07/56/06/221075606.db2.gz LKMKFAPSYYSTNY-VIFPVBQESA-N 0 1 391.344 -0.943 50 5 GBBAMN