COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC ZINC000000002094 67/97/12/395679712 PJSFRIWCGOHTNF-UHFFFAOYSA-N 0 310.335 DC 0.877 2 Anodyne low DCAALN COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC world COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC ZINC000000002094 67/97/11/395679711 PJSFRIWCGOHTNF-UHFFFAOYSA-N -1 310.335 DC 0.877 0 Anodyne ref DCAARM COc1ncnc([N-]S(=O)(=O)c2ccc(N)cc2)c1OC world OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000000004009 82/03/16/304820316 RFHAOTPXVQNOHP-UHFFFAOYSA-N 0 306.276 DC 0.736 0 Anodyne ref DCAARN OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F fda CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 ZINC000000403609 68/03/09/395680309 BLJRIMJGRPQVNF-SNVBAGLBSA-N 1 316.427 DC 0.502 0 Anodyne ref DCAARO CC(C)(C)[NH2+]C[C@@H](O)COc1nsnc1N1CCOCC1 fda NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 ZINC000000896918 28/69/04/295286904 GJQPMPFPNINLKP-UHFFFAOYSA-N 0 305.164 DC 0.288 0 Anodyne ref DCAARN NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 fda CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530621 12/61/65/415126165 IAVUPMFITXYVAF-XPUUQOCRSA-N 1 324.449 DC 0.612 1 Anodyne mid DCAAMO CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 fda CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530621 12/61/48/415126148 IAVUPMFITXYVAF-XPUUQOCRSA-N 0 324.449 DC 0.612 0 Anodyne ref DCAARN CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 fda CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O ZINC000001530635 87/16/63/180871663 GGXKWVWZWMLJEH-UHFFFAOYSA-N 0 321.337 DC 0.541 0 Anodyne ref DCAARN CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O fda CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000001533877 68/09/81/395680981 MPBVHIBUJCELCL-UHFFFAOYSA-N -3 319.231 DC 0.5 3 Anodyne high DCAAHL CCCCC[N@@H+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] fda CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000001533877 68/09/80/395680980 MPBVHIBUJCELCL-UHFFFAOYSA-N -3 319.231 DC 0.5 3 Anodyne high DCAAHL CCCCC[N@H+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] fda CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000001533877 68/09/79/395680979 MPBVHIBUJCELCL-UHFFFAOYSA-N -3 319.231 DC 0.5 2 Anodyne low DCAALL CCCCC[NH+](C)CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O fda CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000001533877 68/09/78/395680978 MPBVHIBUJCELCL-UHFFFAOYSA-N -3 319.231 DC 0.5 2 Anodyne low DCAALL CCCCC[NH+](C)CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O fda CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000001533877 68/09/77/395680977 MPBVHIBUJCELCL-UHFFFAOYSA-N -1 319.231 DC 0.5 2 Anodyne low DCAALM CCCCC[N@@H+](C)CCC(O)(P(=O)([O-])O)P(=O)([O-])O fda CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000001533877 68/09/76/395680976 MPBVHIBUJCELCL-UHFFFAOYSA-N -1 319.231 DC 0.5 2 Anodyne low DCAALM CCCCC[N@H+](C)CCC(O)(P(=O)([O-])O)P(=O)([O-])O fda Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12 ZINC000001566609 68/10/71/395681071 ZUQOBHTUMCEQBG-UHFFFAOYSA-N -3 319.316 DC 0.621 3 Anodyne high DCAAHL Nc1ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])cc([O-])c12 Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12 ZINC000001566609 68/10/69/395681069 ZUQOBHTUMCEQBG-UHFFFAOYSA-N -2 319.316 DC 0.621 0 Anodyne ref DCAARL Nc1ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])cc(O)c12 Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1 ZINC000001673030 68/11/94/395681194 KZCSUEYBKAPKNH-UHFFFAOYSA-N -2 303.317 DC 0.915 0 Anodyne ref DCAARL Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1 Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1N ZINC000001821543 68/10/93/395681093 KHEHRJJAWUJGDW-UHFFFAOYSA-N -2 318.332 DC 0.498 0 Anodyne ref DCAARL Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1N CC(C)(C)OC(=O)CO/N=C(/C(=O)O)c1csc(N)n1 ZINC000021302894 27/15/61/182271561 XSQPXYAKVKORFJ-RIYZIHGNSA-N -1 301.324 DC 0.872 0 Mild ref DCEBRM CC(C)(C)OC(=O)CO/N=C(/C(=O)[O-])c1csc(N)n1 CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000058538417 12/21/42/184122142 JDRSMPFHFNXQRB-IBEHDNSVSA-N 0 320.426 DC 0.944 0 Mild ref DCEARN CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro CCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000085478989 70/14/59/395701459 JDRSMPFHFNXQRB-LJIZCISZSA-N 0 320.426 DC 0.944 0 Mild ref DCEARN CCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100037020 76/20/73/395762073 STECJAGHUSJQJN-FWXGHANASA-N 1 303.358 DC 0.918 1 Anodyne mid DCAAMO C[N@H+]1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 fda metabolite CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100037020 76/20/71/395762071 STECJAGHUSJQJN-FWXGHANASA-N 1 303.358 DC 0.918 1 Anodyne mid DCAAMO C[N@@H+]1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 fda metabolite CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100037020 76/20/69/395762069 STECJAGHUSJQJN-FWXGHANASA-N 0 303.358 DC 0.918 0 Anodyne ref DCAARN CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 fda metabolite CN1[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000101147375 76/41/69/395764169 STECJAGHUSJQJN-VJQRDGCPSA-N 1 303.358 DC 0.918 1 Anodyne mid DCABMO C[N@H+]1[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 investigational CN1[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000101147375 76/41/67/395764167 STECJAGHUSJQJN-VJQRDGCPSA-N 1 303.358 DC 0.918 1 Anodyne mid DCABMO C[N@@H+]1[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 investigational CN1[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000101147375 76/41/63/395764163 STECJAGHUSJQJN-VJQRDGCPSA-N 0 303.358 DC 0.918 0 Anodyne ref DCABRN CN1[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 investigational