smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(S(=O)(=O)F)cc1Cl ZINC001597590691 988414288 /nfs/dbraw/zinc/41/42/88/988414288.db2.gz DNLADYRSUVHARA-UHFFFAOYSA-N -1 0 385.800 3.511 20 70 GHIDRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(S(=O)(=O)F)ccc1Cl ZINC001597594180 988431281 /nfs/dbraw/zinc/43/12/81/988431281.db2.gz OFMKTZIJMCNBKD-UHFFFAOYSA-N -1 0 385.800 3.511 20 70 GHIDRM C[C@@H](Cc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)cc1)C(=O)[O-] ZINC001592872259 979727907 /nfs/dbraw/zinc/72/79/07/979727907.db2.gz GVFLQMANRNFUTJ-JTQLQIEISA-N -1 0 399.827 3.514 20 70 GHIDRM Cc1cc(S(=O)(=O)F)ccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594328461 958195519 /nfs/dbraw/zinc/19/55/19/958195519.db2.gz STTMKBCJDOSMTI-UHFFFAOYSA-N -1 0 397.449 3.544 20 70 GHIDRM C[C@H](Cc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)cc1)C(=O)[O-] ZINC001592872263 979728118 /nfs/dbraw/zinc/72/81/18/979728118.db2.gz GVFLQMANRNFUTJ-SNVBAGLBSA-N -1 0 399.827 3.514 20 70 GHIDRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(S(=O)(=O)F)cc1Cl)c1ccccc1 ZINC001594770778 981742194 /nfs/dbraw/zinc/74/21/94/981742194.db2.gz NMIAGEHAFXXPHX-OAHLLOKOSA-N -1 0 399.827 3.508 20 70 GHIDRM CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)F)cc2)c(C(=O)[O-])c1 ZINC001591962274 976547262 /nfs/dbraw/zinc/54/72/62/976547262.db2.gz GEJOPBXBMLJCDE-UHFFFAOYSA-N -1 0 393.436 3.738 20 70 GHIDRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(S(=O)(=O)F)cc1Cl)c1ccccc1 ZINC001594770774 981741861 /nfs/dbraw/zinc/74/18/61/981741861.db2.gz NMIAGEHAFXXPHX-HNNXBMFYSA-N -1 0 399.827 3.508 20 70 GHIDRM