smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-c2nn(C)c(C)c2[N+](=O)NC#N)nn1C ZINC000071333112 176125912 /nfs/dbraw/zinc/12/59/12/176125912.db2.gz JXZQWFIRJZPYAK-AQTBWJFISA-N 1 3 259.273 1.513 1 10 CDCFHO