smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000160802619 473176592 /nfs/dbraw/zinc/17/65/92/473176592.db2.gz BSJMZXHUOYBYSU-UHFFFAOYSA-N -1 2 348.834 2.630 10 70 EFIELM