smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2ccc3[nH]c(=O)/c(=N\O)c(=O)c3c2c(=O)/c1=N/[O-] ZINC000005582639 372769892 /nfs/dbraw/zinc/76/98/92/372769892.db2.gz CJKRSOLVXYFFRW-DUGOVBPYSA-N -1 2 302.202 -2.455 40 5 DABBLM