smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCC(=O)n1c(=O)cc(O)n(C(=O)CCC(=O)[O-])c1=S ZINC000003098798 379684753 /nfs/dbraw/zinc/68/47/53/379684753.db2.gz FCVWDHJMGUIHHX-UHFFFAOYSA-N -2 2 344.301 -0.885 40 0 EBABLL [NH3+]C1([NH3+])CCCC(CC(=O)[O-])(CC(=O)[O-])C1(CC(=O)[O-])CC(=O)[O-] ZINC000035930483 375925017 /nfs/dbraw/zinc/92/50/17/375925017.db2.gz RNMCCPMYXUKHAZ-UHFFFAOYSA-N -2 2 346.336 -0.344 40 0 EBABLL