smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)N[C@@H](CO)C(=O)[O-] ZINC000049820645 222001897 /nfs/dbraw/zinc/00/18/97/222001897.db2.gz LXNCWECCTQQXPQ-ZJUUUORDSA-N -1 3 397.388 -1.979 1 10 GACFHM COC(=O)[C@H](OC(=O)c1cc(O)c([O-])c(O)c1)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC ZINC000095913755 565183926 /nfs/dbraw/zinc/18/39/26/565183926.db2.gz FUZPULBJXZQHRK-NOOOWODRSA-N -1 3 390.297 -2.243 1 10 biogenic,in-vitro GACFHM