smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCc1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](n3c4ccccc4c(=O)[nH]c3=O)C2)c1 ZINC000257290911 212017739 /nfs/dbraw/zinc/01/77/39/212017739.db2.gz QEUGAYHCRNDICP-HKUYNNGSSA-N 2 1 396.447 0.727 40 10 GCCBMP