O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1 ZINC000001664865 47/01/47/487470147 ZPBSAMLXSQCSOX-UHFFFAOYSA-N -3 368.366 FC 0.58 0 Anodyne ref FCAARL O=S(=O)([O-])c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1 in-vivo O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1 ZINC000002507152 47/02/60/487470260 INMHJULHWVWVFN-UHFFFAOYSA-N -3 368.366 FC 0.58 0 Anodyne ref FCAARL O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1 in-vitro CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)c(S(=O)(=O)O)c1 ZINC000002540027 47/02/36/487470236 DIOSHTLNZVXJOF-UHFFFAOYSA-N -1 356.356 FC 0.768 0 Anodyne ref FCABRM CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)c(S(=O)(=O)[O-])c1 CC(C)CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F ZINC000003806420 47/19/75/487471975 PPVCPOIDSSQXMR-UORFTKCHSA-N 0 359.354 FC 0.616 2 Anodyne low FCABLN CC(C)CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F CC(C)CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F ZINC000003806420 47/19/66/487471966 PPVCPOIDSSQXMR-UORFTKCHSA-N -1 359.354 FC 0.616 0 Anodyne ref FCABRM CC(C)CCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000003830215 22/94/81/210229481 LSQZJLSUYDQPKJ-NJBDSQKTSA-N 0 365.411 FC 0.024 1 Anodyne mid FCAAMN CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] fda endogenous CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000003830215 22/94/74/210229474 LSQZJLSUYDQPKJ-NJBDSQKTSA-N -1 365.411 FC 0.024 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] fda endogenous CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000003830391 47/23/84/487472384 BOEGTKLJZSQCCD-UEKVPHQBSA-N 0 363.395 FC 0.151 1 Anodyne mid FCAAMN CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 fda CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000003830391 47/23/76/487472376 BOEGTKLJZSQCCD-UEKVPHQBSA-N -1 363.395 FC 0.151 0 Anodyne ref FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 fda CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000003978046 41/21/19/574412119 LSQZJLSUYDQPKJ-BBGACYKPSA-N 0 365.411 FC 0.024 1 Anodyne mid FCAAMN CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H]([NH3+])c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] in-man endogenous CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000003978046 41/21/18/574412118 LSQZJLSUYDQPKJ-BBGACYKPSA-N -1 365.411 FC 0.024 0 Anodyne ref FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] in-man endogenous CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000004097292 47/33/75/487473375 BOEGTKLJZSQCCD-FIXISWKDSA-N 0 363.395 FC 0.151 1 Anodyne mid FCABMN CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 in-man CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000004097292 47/33/70/487473370 BOEGTKLJZSQCCD-FIXISWKDSA-N -1 363.395 FC 0.151 0 Anodyne ref FCABRM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 in-man COc1nc(C)nc(N/C(O)=N/S(=O)(=O)c2ccsc2C(=O)O)n1 ZINC000026893049 68/71/03/487687103 LOQQVLXUKHKNIA-UHFFFAOYSA-N -2 373.372 FC 0.663 1 Mild mid FCEBML COc1nc(C)nc(NC([O-])=NS(=O)(=O)c2ccsc2C(=O)[O-])n1 in-vitro COc1nc(C)nc(N/C(O)=N/S(=O)(=O)c2ccsc2C(=O)O)n1 ZINC000026893049 68/70/92/487687092 LOQQVLXUKHKNIA-UHFFFAOYSA-N -2 373.372 FC 0.663 0 Mild ref FCEBRL COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 in-vitro Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC000034505198 77/06/03/570770603 IWYJYHUNXVAVAA-OAHLLOKOSA-N 1 357.389 FC 0.534 0 Mild ref FCEARO Cn1c(=O)cc(N2CCC[C@@H]([NH3+])C2)n(Cc2cc(F)ccc2C#N)c1=O in-man CS(=O)(=O)O[C@@H]1C[C@@H](CO)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000035070700 23/08/60/525230860 VEJXAWBFJHWZOI-QWHCGFSZSA-N 0 374.371 FC 0.643 0 Mild ref FCEARN CS(=O)(=O)O[C@@H]1C[C@@H](CO)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 OC(Cn1cncn1)(Cn1cncn1)c1ccc(-n2cncn2)cc1F ZINC000035950196 13/67/71/208136771 MMBHIHSCHXTGOX-UHFFFAOYSA-N 0 355.337 FC 0.177 0 Anodyne ref FCAARN OC(Cn1cncn1)(Cn1cncn1)c1ccc(-n2cncn2)cc1F in-vitro CS(=O)(=O)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000039140048 80/89/04/487808904 UCVIKCGVGWBTTI-GFCCVEGCSA-N 0 374.39 FC 0.964 0 Mild ref FCEARN CS(=O)(=O)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@@H]2SC1 ZINC000039303263 80/86/84/487808684 SGWIRMONYCAJIS-SKDRFNHKSA-N -1 366.424 FC 0.192 0 Anodyne ref FCABRM C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@@H]2SC1 C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3csc(N)n3)[C@@H]2SC1 ZINC000039303267 80/87/34/487808734 SGWIRMONYCAJIS-CABZTGNLSA-N -1 366.424 FC 0.192 0 Anodyne ref FCABRM C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cc3csc(N)n3)[C@@H]2SC1 CC[C@@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F ZINC000044019728 90/79/57/487907957 WBAXSXXYPPILCT-ZWQNNFRKSA-N 0 359.354 FC 0.616 2 Anodyne low FCABLN CC[C@@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F CC[C@@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F ZINC000044019728 90/79/48/487907948 WBAXSXXYPPILCT-ZWQNNFRKSA-N -1 359.354 FC 0.616 0 Anodyne ref FCABRM CC[C@@H](C)COC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F CC[C@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F ZINC000044019731 90/79/80/487907980 WBAXSXXYPPILCT-WMNYDERDSA-N 0 359.354 FC 0.616 2 Anodyne low FCABLN CC[C@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F CC[C@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F ZINC000044019731 90/79/78/487907978 WBAXSXXYPPILCT-WMNYDERDSA-N -1 359.354 FC 0.616 0 Anodyne ref FCABRM CC[C@H](C)COC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F CS(=O)(=O)OC[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000071789495 14/10/43/136141043 UCVIKCGVGWBTTI-LBPRGKRZSA-N 0 374.39 FC 0.964 0 Mild ref FCEBRN CS(=O)(=O)OC[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1