smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CN(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000093088849 375184968 /nfs/dbraw/zinc/18/49/68/375184968.db2.gz KMGMHXCOXZZZSX-UHFFFAOYSA-N 1 3 291.395 2.677 50 5 CFBAHO