smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000408517583 372926336 /nfs/dbraw/zinc/92/63/36/372926336.db2.gz MKYLJHROWUIZHX-UWVGGRQHSA-N 0 3 283.288 -1.075 50 5 CABAHN