smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(O)c(O)c2)C(=O)[O-])cc1 ZINC000029477179 207362620 /nfs/dbraw/zinc/36/26/20/207362620.db2.gz HKSJYMCZURFLSP-GFCCVEGCSA-N -1 0 380.378 0.171 1 10 GCCFRM O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)OC(=O)[C@H](O)Cc1ccc(O)c(O)c1 ZINC000013431703 291102867 /nfs/dbraw/zinc/10/28/67/291102867.db2.gz VTSYCUCOACFUEN-HZPDHXFCSA-N -1 0 378.333 0.652 1 10 biogenic,in-vitro GCCFRM