smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[N+](C)(C)[NH2+]CCC(=O)[O-] 169309019 166222011 /nfs/dbraw/zinc/22/20/11/166222011.db2.gz KDZPHTFWDPJPKE-UHFFFAOYSA-O 1 1 159.209 0.186 1 5 ACBFMO CC[N+](C)(C)[NH2+]CCC(=O)[O-] 34156332 717124200 /nfs/dbraw/zinc/12/42/00/717124200.db2.gz VFMQJOHSAQMQEH-UHFFFAOYSA-O 1 1 161.225 0.062 1 5 in-vitro ACBFMO