smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CCC)c21 ZINC000029546593 210548213 /nfs/dbraw/zinc/54/82/13/210548213.db2.gz CSDYRWMCCFBQCL-UHFFFAOYSA-N -2 0 385.372 2.867 1 5 GFBFRL O=C([O-])C[C@@](O)(CSCCCCCCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000013758284 204511958 /nfs/dbraw/zinc/51/19/58/204511958.db2.gz FTSYRALACFTMTN-QGZVFWFLSA-N -2 0 385.438 2.721 1 5 GFBFRL O=C([O-])c1cc(=O)c2cc(Cl)c3c(ccc4c(=O)cc(C(=O)[O-])[nH]c43)c2[nH]1 ZINC000169336986 208730873 /nfs/dbraw/zinc/73/08/73/208730873.db2.gz ZNXVQABNCNGKGG-UHFFFAOYSA-N -2 0 384.731 2.573 1 5 GFBFRL