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+]1CCC(NC[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCS(=O)(=O)CC4)O[C@@H]3[C@@H]2O)CC1 ZINC000604381953 557236870 /nfs/dbraw/zinc/23/68/70/557236870.db2.gz WMOLVAJNZLKSCL-SGFSRKTBSA-N 1 3 431.555 -1.397 40 0 biogenic,in-vitro IAABHO