CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000000597112 69/73/07/521697307 SPFYMRJSYKOXGV-UHFFFAOYSA-N 0 359.401 FE 2.316 2 Anodyne low FEAALN CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 investigational endogenous CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000000597112 69/73/02/521697302 SPFYMRJSYKOXGV-UHFFFAOYSA-N -1 359.401 FE 2.316 0 Anodyne ref FEAARM CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 investigational endogenous COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 ZINC000000829787 27/71/87/210277187 URUOEIWTYZDEJV-UHFFFAOYSA-N 0 365.407 FE 2.072 0 Anodyne ref FEAARN COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 ZINC000000952696 29/52/43/210295243 LFRLEBFHLCJPDU-KRWDZBQOSA-N -1 358.419 FE 2.451 0 Anodyne ref FEAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)C[C@@H](C)O1 ZINC000001431533 00/71/32/204007132 QJIWUZAKCHMZMA-OCAPTIKFSA-N -1 368.238 FE 2.49 0 Anodyne ref FEAARM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@@H](C)O1 C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)C[C@@H](C)O1 ZINC000001431534 00/68/19/204006819 QJIWUZAKCHMZMA-HTQZYQBOSA-N -1 368.238 FE 2.49 0 Anodyne ref FEAARM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@@H](C)O1 C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000001431535 34/17/60/539341760 QJIWUZAKCHMZMA-YUMQZZPRSA-N -1 368.238 FE 2.49 0 Anodyne ref FEAARM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@H](C)O1 NC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000001576237 34/24/62/539342462 IZKGGDFLLNVXNZ-QGZVFWFLSA-N -1 368.389 FE 2.244 0 Anodyne ref FEAARM NC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 ZINC000002132681 37/96/35/210379635 FLFMAUXSEZIPNJ-IBGZPJMESA-N -1 367.357 FE 2.422 0 Anodyne ref FEAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002384763 03/63/30/204036330 IZKGGDFLLNVXNZ-KRWDZBQOSA-N -1 368.389 FE 2.244 0 Anodyne ref FEAARM NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000002838186 35/49/17/539354917 WKAFSGISDZPONF-UHFFFAOYSA-N -1 365.407 FE 2.292 0 Anodyne ref FEAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1OC COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000002966933 94/87/88/206948788 HFYAYMJDMOJPIX-UHFFFAOYSA-N -1 365.407 FE 2.292 0 Anodyne ref FEAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c(OC)c1 CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(N)c1 ZINC000003882782 38/58/03/132385803 DWYUGKVSQAOHLV-UHFFFAOYSA-N 0 353.422 FE 2.408 0 Anodyne ref FEAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(N)c1 CN(Cc1nnc(S)n1-c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000004624140 03/45/47/207034547 ZHDFHHGVSKODGD-UHFFFAOYSA-N 0 360.464 FE 2.377 0 Anodyne ref FEAARN CN(CC1N=NC(=S)N1c1ccccc1)S(=O)(=O)c1ccccc1 CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004679575 39/03/21/539390321 ZMNDZXUVCYKSNT-CQSZACIVSA-N 0 366.439 FE 2.068 0 Anodyne ref FEAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004679576 39/01/65/539390165 ZMNDZXUVCYKSNT-AWEZNQCLSA-N 0 366.439 FE 2.068 0 Anodyne ref FEAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(OC)c(OC)c(OC)c1 COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004995446 18/37/10/204183710 CYZNBCCPHXHWHU-UHFFFAOYSA-N -1 365.407 FE 2.292 0 Anodyne ref FEAARM COc1ccc(OC)c(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1 COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 ZINC000007602787 80/98/23/219809823 APQAMGJKAGVZOQ-UHFFFAOYSA-N 0 364.379 FE 2.272 0 Bother ref FEBARN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000007602789 46/20/12/539462012 OIKCVEHFZIFXGJ-UHFFFAOYSA-N -1 350.352 FE 2.183 0 Bother ref FEBARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 COc1ccc(CCN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1OC ZINC000008908505 80/77/98/210807798 QWXWZRRPDGPHNT-UHFFFAOYSA-N -1 355.346 FE 2.241 0 Anodyne ref FEAARM COc1ccc(CCN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1OC CCOC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)nc1C ZINC000009418519 50/20/32/539502032 HGMWVKDMASLSEK-UHFFFAOYSA-N 0 356.426 FE 2.297 0 Clean ref FECARN CCOC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)nc1C CC(=O)Nc1ccc(S(=O)(=O)NCC2(CC(=O)O)CCCCC2)cc1 ZINC000011766653 89/35/11/210893511 QDROQXXETZZESM-UHFFFAOYSA-N -1 368.455 FE 2.348 0 Anodyne ref FEAARM CC(=O)Nc1ccc(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2Cc2ccco2)C1 ZINC000013322641 06/33/20/220063320 QVOQGBYXJYXVAN-LLVKDONJSA-N -1 356.473 FE 2.111 1 Anodyne mid FEAAMM CCS(=O)(=O)N1CCC[C@@H](c2n[n-]c(=S)n2Cc2ccco2)C1 CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2Cc2ccco2)C1 ZINC000013322641 06/33/16/220063316 QVOQGBYXJYXVAN-LLVKDONJSA-N 0 356.473 FE 2.111 0 Anodyne ref FEAARN CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2Cc2ccco2)C1 CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2Cc2ccco2)C1 ZINC000013322643 58/60/93/539586093 QVOQGBYXJYXVAN-NSHDSACASA-N -1 356.473 FE 2.111 1 Anodyne mid FEAAMM CCS(=O)(=O)N1CCC[C@H](c2n[n-]c(=S)n2Cc2ccco2)C1 CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2Cc2ccco2)C1 ZINC000013322643 58/60/87/539586087 QVOQGBYXJYXVAN-NSHDSACASA-N 0 356.473 FE 2.111 0 Anodyne ref FEAARN CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2Cc2ccco2)C1 CCS(=O)(=O)N1CCC[C@@H](c2nnc(S)n2Cc2ccccc2)C1 ZINC000013322719 06/37/76/220063776 HHZWFZCMXYNTLU-CQSZACIVSA-N 0 366.512 FE 2.144 0 Anodyne ref FEAARN CCS(=O)(=O)N1CCC[C@@H](C2N=NC(=S)N2Cc2ccccc2)C1 CCS(=O)(=O)N1CCC[C@H](c2nnc(S)n2Cc2ccccc2)C1 ZINC000013322721 52/63/26/204526326 HHZWFZCMXYNTLU-AWEZNQCLSA-N 0 366.512 FE 2.144 0 Anodyne ref FEAARN CCS(=O)(=O)N1CCC[C@H](C2N=NC(=S)N2Cc2ccccc2)C1 CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2CCCSC)C1 ZINC000013322735 58/55/72/539585572 NOGDESCMJKJVKQ-LLVKDONJSA-N -1 364.562 FE 2.223 1 Anodyne mid FEAAMM CCS(=O)(=O)N1CCC[C@@H](c2n[n-]c(=S)n2CCCSC)C1 CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2CCCSC)C1 ZINC000013322735 58/55/67/539585567 NOGDESCMJKJVKQ-LLVKDONJSA-N 0 364.562 FE 2.223 0 Anodyne ref FEAARN CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2CCCSC)C1 CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2CCCSC)C1 ZINC000013322737 06/38/42/220063842 NOGDESCMJKJVKQ-NSHDSACASA-N -1 364.562 FE 2.223 1 Anodyne mid FEAAMM CCS(=O)(=O)N1CCC[C@H](c2n[n-]c(=S)n2CCCSC)C1 CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2CCCSC)C1 ZINC000013322737 06/38/39/220063839 NOGDESCMJKJVKQ-NSHDSACASA-N 0 364.562 FE 2.223 0 Anodyne ref FEAARN CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2CCCSC)C1 COC(=O)CC1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000015423833 61/80/23/539618023 OYQNCYUJEOPIFS-UHFFFAOYSA-N 0 351.399 FE 2.128 0 Anodyne ref FEAARN COC(=O)CC1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 COC(=O)c1ccc(N2C(=O)C[C@@H](Sc3ccc(N)cc3)C2=O)cc1 ZINC000017073588 17/73/23/211177323 CFYTVTZSEYCYHP-OAHLLOKOSA-N 0 356.403 FE 2.48 0 Anodyne ref FEAARN COC(=O)c1ccc(N2C(=O)C[C@@H](Sc3ccc(N)cc3)C2=O)cc1 COc1cc(CCN)c(Cc2cc(OC)c(OC)cc2CCN)cc1OC ZINC000030769045 00/37/03/208003703 XCYTZOCEXQDONL-UHFFFAOYSA-N 2 374.481 FE 2.314 0 Anodyne ref FEAARP COc1cc(CC[NH3+])c(Cc2cc(OC)c(OC)cc2CC[NH3+])cc1OC Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)O)cc12 ZINC000032916837 95/95/28/539959528 IBCIUZOIGXKYSG-UHFFFAOYSA-N -1 356.426 FE 2.098 1 Anodyne mid FEAAMM Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)[O-])cc12 Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)O)cc12 ZINC000032916837 95/95/26/539959526 IBCIUZOIGXKYSG-UHFFFAOYSA-N 0 356.426 FE 2.098 0 Anodyne ref FEAARN Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)[O-])cc12 Cc1ccc(CN2CCN(Cc3ccc(C(=O)O)cc3)C(=O)C2=O)cc1 ZINC000032918684 95/97/46/539959746 NZKASKHFFIFDPG-UHFFFAOYSA-N -1 352.39 FE 2.064 0 Anodyne ref FEAARM Cc1ccc(CN2CCN(Cc3ccc(C(=O)[O-])cc3)C(=O)C2=O)cc1 COC(=O)[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)OC(C)(C)C ZINC000032919520 95/96/52/539959652 FUWIHAAAXPUVTB-ZFWWWQNUSA-N 1 352.406 FE 2.466 1 Anodyne mid FEAAMO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CN1C(=O)OC(C)(C)C COC(=O)[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)OC(C)(C)C ZINC000032919520 95/96/48/539959648 FUWIHAAAXPUVTB-ZFWWWQNUSA-N 0 352.406 FE 2.466 0 Anodyne ref FEAARN COC(=O)[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)OC(C)(C)C Cc1nn(Cc2c(C(=O)O)noc2C)c(C)c1I ZINC000034925037 97/86/33/539978633 PZAINGBAOLZTBB-UHFFFAOYSA-N -1 361.139 FE 2.147 0 Anodyne ref FEAARM Cc1nn(Cc2c(C(=O)[O-])noc2C)c(C)c1I COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000034925614 97/83/64/539978364 YQJSNAJIQYBABK-VQTJNVASSA-N 1 359.514 FE 2.078 3 Anodyne high FEAAHO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000034925614 97/83/63/539978363 YQJSNAJIQYBABK-VQTJNVASSA-N 1 359.514 FE 2.078 1 Anodyne mid FEAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000034925614 97/83/62/539978362 YQJSNAJIQYBABK-VQTJNVASSA-N 1 359.514 FE 2.078 1 Anodyne mid FEAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000034925614 97/83/61/539978361 YQJSNAJIQYBABK-VQTJNVASSA-N 2 359.514 FE 2.078 1 Anodyne mid FEAAMP COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000034925614 97/83/60/539978360 YQJSNAJIQYBABK-VQTJNVASSA-N 2 359.514 FE 2.078 0 Anodyne ref FEAARP COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000034925615 11/70/43/208117043 YQJSNAJIQYBABK-PMACEKPBSA-N 1 359.514 FE 2.078 3 Anodyne high FEAAHO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000034925615 11/70/37/208117037 YQJSNAJIQYBABK-PMACEKPBSA-N 1 359.514 FE 2.078 1 Anodyne mid FEAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000034925615 11/70/33/208117033 YQJSNAJIQYBABK-PMACEKPBSA-N 1 359.514 FE 2.078 1 Anodyne mid FEAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000034925615 11/70/28/208117028 YQJSNAJIQYBABK-PMACEKPBSA-N 2 359.514 FE 2.078 1 Anodyne mid FEAAMP COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000034925615 11/70/23/208117023 YQJSNAJIQYBABK-PMACEKPBSA-N 2 359.514 FE 2.078 0 Anodyne ref FEAARP COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 COc1ccc(N(CC(=O)O)CC(=O)NCCc2ccc(F)cc2)cc1 ZINC000034926456 97/84/00/539978400 SVATZDUKUSZOQP-UHFFFAOYSA-N -1 360.385 FE 2.084 0 Clean ref FECARM COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccc(F)cc2)cc1 COc1ccc(N(CC(=O)O)CC(=O)NCCc2ccccc2F)cc1 ZINC000034926463 97/82/92/539978292 NVNVJYITRRTJNS-UHFFFAOYSA-N -1 360.385 FE 2.084 0 Clean ref FECARM COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccccc2F)cc1 COc1ccc(N(CC(=O)O)CC(=O)NCCc2cccc(F)c2)cc1 ZINC000034926468 97/83/36/539978336 UFMGEOFBTVNVHZ-UHFFFAOYSA-N -1 360.385 FE 2.084 0 Clean ref FECARM COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2cccc(F)c2)cc1 O=C(O)CN(CC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000034926502 97/83/52/539978352 RMGPKDNBXHQROJ-UHFFFAOYSA-N -1 351.406 FE 2.418 0 Anodyne ref FEAARM O=C([O-])CN(CC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 COc1ccc(N(CC(=O)O)CC(=O)N2CCc3ccccc3C2)cc1 ZINC000034926560 98/64/72/204986472 MWBJAGYJFSDARP-UHFFFAOYSA-N -1 354.406 FE 2.171 0 Clean ref FECARM COc1ccc(N(CC(=O)[O-])CC(=O)N2CCc3ccccc3C2)cc1 COc1cc(NC(=O)N2CCC(CC(=O)O)CC2)cc(OC)c1OC ZINC000034927191 97/82/74/539978274 GLESGQAYNPXJJZ-UHFFFAOYSA-N -1 352.387 FE 2.431 0 Anodyne ref FEAARM COc1cc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc(OC)c1OC Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)O)C3)s2)cc1 ZINC000034927194 11/79/43/208117943 CGPQJYDKNPAQEB-NSHDSACASA-N -1 374.422 FE 2.036 0 Anodyne ref FEAARM Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)[O-])C3)s2)cc1 Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)O)C3)s2)cc1 ZINC000034927195 97/85/36/539978536 CGPQJYDKNPAQEB-LLVKDONJSA-N -1 374.422 FE 2.036 0 Anodyne ref FEAARM Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)s2)cc1 CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)O)CC2)c1C ZINC000034927230 11/77/74/208117774 SHRUXHHMCQWNQW-UHFFFAOYSA-N -1 350.415 FE 2.064 0 Anodyne ref FEAARM CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)[O-])CC2)c1C O=C(O)CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000034927231 97/83/77/539978377 MJUFRCDMIWICGN-UHFFFAOYSA-N -1 368.274 FE 2.386 0 Anodyne ref FEAARM O=C([O-])CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 CCn1c(S)nnc1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000034928845 97/85/98/539978598 RTMKBFMKHHCMEX-UHFFFAOYSA-N 0 364.475 FE 2.28 0 Anodyne ref FEAARN CCN1C(=S)N=NC1c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2 CN(C)S(=O)(=O)N(Cc1ccc(C(=O)O)cc1)c1ccccc1F ZINC000039315709 20/86/00/208208600 OPMAUISNYFULSM-UHFFFAOYSA-N -1 352.387 FE 2.337 0 Anodyne ref FEAARM CN(C)S(=O)(=O)N(Cc1ccc(C(=O)[O-])cc1)c1ccccc1F O=C(O)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000045795957 22/80/74/540228074 SEXVNNOZIYCWRX-UHFFFAOYSA-N -1 364.405 FE 2.141 0 Anodyne ref FEAARM O=C([O-])C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 O=C(O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000045795997 95/21/53/132952153 ZZVGLQZLGOGXIQ-HNNXBMFYSA-N -1 364.405 FE 2.141 0 Anodyne ref FEAARM O=C([O-])[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 O=C(O)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000045795998 22/79/47/540227947 ZZVGLQZLGOGXIQ-OAHLLOKOSA-N -1 364.405 FE 2.141 0 Anodyne ref FEAARM O=C([O-])[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 O=Cc1cccn1-c1nnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000045796071 22/82/71/540228271 LGSZVJMQETZBPT-UHFFFAOYSA-N 1 353.451 FE 2.464 2 Anodyne low FEAALO O=Cc1cccn1-c1nnc(N2CC[NH+](Cc3ccccc3)CC2)s1 O=Cc1cccn1-c1nnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000045796071 22/82/68/540228268 LGSZVJMQETZBPT-UHFFFAOYSA-N 0 353.451 FE 2.464 0 Anodyne ref FEAARN O=Cc1cccn1-c1nnc(N2CCN(Cc3ccccc3)CC2)s1 COC(=O)c1cc2c(=O)n(Cc3ccco3)ccc2nc1/C=C/N(C)C ZINC000072406637 80/54/39/541805439 NACZFMURHPCIGV-SOFGYWHQSA-N 1 353.378 FE 2.357 2 Anodyne low FEAALO COC(=O)c1cc2c(=O)n(Cc3ccco3)ccc2nc1/C=C/[NH+](C)C COC(=O)c1cc2c(=O)n(Cc3ccco3)ccc2nc1/C=C/N(C)C ZINC000072406637 80/54/30/541805430 NACZFMURHPCIGV-SOFGYWHQSA-N 0 353.378 FE 2.357 0 Anodyne ref FEAARN COC(=O)c1cc2c(=O)n(Cc3ccco3)ccc2nc1/C=C/N(C)C CC(=O)Oc1ccc2occ([C@@H]3N[C@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 ZINC000074938356 87/98/78/208879878 PFFPHYYANJHODY-HUUCEWRRSA-N 0 363.391 FE 2.285 2 Anodyne low FEAALN CC(=O)Oc1ccc2occ([C@@H]3[NH2+][C@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CC(=O)Oc1ccc2occ([C@@H]3N[C@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 ZINC000074938356 87/98/72/208879872 PFFPHYYANJHODY-HUUCEWRRSA-N -1 363.391 FE 2.285 0 Anodyne ref FEAARM CC(=O)Oc1ccc2occ([C@@H]3N[C@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CC(=O)Oc1ccc2occ([C@H]3N[C@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 ZINC000074938358 13/91/10/542139110 PFFPHYYANJHODY-CABCVRRESA-N 0 363.391 FE 2.285 2 Anodyne low FEAALN CC(=O)Oc1ccc2occ([C@H]3[NH2+][C@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CC(=O)Oc1ccc2occ([C@H]3N[C@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 ZINC000074938358 13/91/03/542139103 PFFPHYYANJHODY-CABCVRRESA-N -1 363.391 FE 2.285 0 Anodyne ref FEAARM CC(=O)Oc1ccc2occ([C@H]3N[C@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CC(=O)Oc1ccc2occ([C@@H]3N[C@@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 ZINC000074938360 13/89/49/542138949 PFFPHYYANJHODY-LSDHHAIUSA-N 0 363.391 FE 2.285 2 Anodyne low FEAALN CC(=O)Oc1ccc2occ([C@@H]3[NH2+][C@@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CC(=O)Oc1ccc2occ([C@@H]3N[C@@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 ZINC000074938360 13/89/44/542138944 PFFPHYYANJHODY-LSDHHAIUSA-N -1 363.391 FE 2.285 0 Anodyne ref FEAARM CC(=O)Oc1ccc2occ([C@@H]3N[C@@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CC(=O)Oc1ccc2occ([C@H]3N[C@@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 ZINC000074938362 57/11/17/205571117 PFFPHYYANJHODY-GJZGRUSLSA-N 0 363.391 FE 2.285 2 Anodyne low FEAALN CC(=O)Oc1ccc2occ([C@H]3[NH2+][C@@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CC(=O)Oc1ccc2occ([C@H]3N[C@@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 ZINC000074938362 57/11/10/205571110 PFFPHYYANJHODY-GJZGRUSLSA-N -1 363.391 FE 2.285 0 Anodyne ref FEAARM CC(=O)Oc1ccc2occ([C@H]3N[C@@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O ZINC000100015491 23/11/73/222231173 WLHQHAUOOXYABV-UHFFFAOYSA-N -1 371.827 FE 2.296 0 Anodyne ref FEAARM CN1C(C(=O)Nc2ccccn2)=C([O-])c2sc(Cl)cc2S1(=O)=O world COC(=O)c1ccc(N2C(=O)C[C@H](Sc3ccc(N)cc3)C2=O)cc1 ZINC000100273133 24/01/75/222240175 CFYTVTZSEYCYHP-HNNXBMFYSA-N 0 356.403 FE 2.48 0 Anodyne ref FEAARN COC(=O)c1ccc(N2C(=O)C[C@H](Sc3ccc(N)cc3)C2=O)cc1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000101237036 26/68/04/222266804 YQJSNAJIQYBABK-UXHICEINSA-N 1 359.514 FE 2.078 3 Anodyne high FEAAHO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000101237036 26/68/01/222266801 YQJSNAJIQYBABK-UXHICEINSA-N 1 359.514 FE 2.078 1 Anodyne mid FEAAMO COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000101237036 26/67/98/222266798 YQJSNAJIQYBABK-UXHICEINSA-N 1 359.514 FE 2.078 1 Anodyne mid FEAAMO COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000101237036 26/67/95/222266795 YQJSNAJIQYBABK-UXHICEINSA-N 2 359.514 FE 2.078 1 Anodyne mid FEAAMP COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000101237036 26/67/91/222266791 YQJSNAJIQYBABK-UXHICEINSA-N 2 359.514 FE 2.078 0 Anodyne ref FEAARP COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 O=C(O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000102859697 37/40/02/132374002 HVDMEZWBKFTDHZ-CQSZACIVSA-N -1 353.783 FE 2.381 0 Anodyne ref FEAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 O=C(O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000102859700 37/39/27/132373927 HVDMEZWBKFTDHZ-AWEZNQCLSA-N -1 353.783 FE 2.381 0 Anodyne ref FEAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000226087461 28/79/99/132287999 UBRRAOWJMHCTCD-AWEZNQCLSA-N -1 353.783 FE 2.381 0 Anodyne ref FEAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000226087473 28/79/12/132287912 UBRRAOWJMHCTCD-CQSZACIVSA-N -1 353.783 FE 2.381 0 Anodyne ref FEAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000248163052 41/29/28/549412928 YQJSNAJIQYBABK-WOJBJXKFSA-N 1 359.514 FE 2.078 3 Anodyne high FEAAHO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000248163052 41/29/26/549412926 YQJSNAJIQYBABK-WOJBJXKFSA-N 1 359.514 FE 2.078 1 Anodyne mid FEAAMO COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000248163052 41/29/23/549412923 YQJSNAJIQYBABK-WOJBJXKFSA-N 1 359.514 FE 2.078 1 Anodyne mid FEAAMO COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000248163052 41/29/21/549412921 YQJSNAJIQYBABK-WOJBJXKFSA-N 2 359.514 FE 2.078 1 Anodyne mid FEAAMP COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000248163052 41/29/18/549412918 YQJSNAJIQYBABK-WOJBJXKFSA-N 1 359.514 FE 2.078 0 Anodyne ref FEAARO COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 CC(C)(C)OC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000253495847 69/07/85/549690785 STJQGZYPMLSHGY-UHFFFAOYSA-N 1 360.458 FE 2.431 2 Anodyne low FEAALO CC(C)(C)OC(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 CC(C)(C)OC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000253495847 69/07/82/549690782 STJQGZYPMLSHGY-UHFFFAOYSA-N 0 360.458 FE 2.431 1 Anodyne mid FEAAMN CC(C)(C)OC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 CC(C)(C)OC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000253495847 69/07/79/549690779 STJQGZYPMLSHGY-UHFFFAOYSA-N 0 360.458 FE 2.431 0 Anodyne ref FEAARN CC(C)(C)OC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 CC(C)(C)OC(=O)N1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@@H]2C1 ZINC000253495891 91/05/34/203910534 UVUDTPNMZAZPDW-BEFAXECRSA-N 0 352.475 FE 2.397 0 Anodyne ref FEAARN CC(C)(C)OC(=O)N1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@@H]2C1 CC(C)(C)OC(=O)N1CC[C@]2(O)CCN(C(=O)C3CCCC3)C[C@@H]2C1 ZINC000253495892 21/53/65/210215365 UVUDTPNMZAZPDW-DNVCBOLYSA-N 0 352.475 FE 2.397 0 Anodyne ref FEAARN CC(C)(C)OC(=O)N1CC[C@]2(O)CCN(C(=O)C3CCCC3)C[C@@H]2C1 CC(C)(C)OC(=O)N1CC[C@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000253495893 69/07/66/549690766 UVUDTPNMZAZPDW-HNAYVOBHSA-N 0 352.475 FE 2.397 0 Anodyne ref FEAARN CC(C)(C)OC(=O)N1CC[C@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1