smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006412301 170199446 /nfs/dbraw/zinc/19/94/46/170199446.db2.gz JGYDBZGRUHYLSL-JTQLQIEISA-N 1 3 266.297 2.140 40 5 CEBBHO