smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(Cc2ccc3c(c2)C(=O)c2nccnc2C3=O)CC1 ZINC000028238959 182515923 /nfs/dbraw/zinc/51/59/23/182515923.db2.gz XNMDUPXJVQZMMF-UHFFFAOYSA-N 1 2 322.368 0.999 1 10 DCCFLO