smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216843157 568468040 /nfs/dbraw/zinc/46/80/40/568468040.db2.gz RBMLXZGSXCJBIM-UHFFFAOYSA-N 0 2 407.467 2.023 40 70 HEIBLN