smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)nc21 ZINC000031539143 558751149 /nfs/dbraw/zinc/75/11/49/558751149.db2.gz SZCYLYPAEMYVDF-OAHLLOKOSA-N 2 1 400.954 5.367 50 5 HKBAMP CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)nc21 ZINC000031539148 558751130 /nfs/dbraw/zinc/75/11/30/558751130.db2.gz SZCYLYPAEMYVDF-HNNXBMFYSA-N 2 1 400.954 5.367 50 5 HKBAMP