smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=S)cc1 ZINC000002092240 568742811 /nfs/dbraw/zinc/74/28/11/568742811.db2.gz JDSWHTFDKDIPCS-FQEVSTJZSA-N -2 2 434.521 3.716 50 0 biogenic IHAALL