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 CN1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000000597119 25/00/82/210250082 QMLVECGLEOSESV-VXGBXAGGSA-N 0 357.385 FE 2.066 2 Anodyne low FEAALN C[N@H+]1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 in-vitro CN1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000000597119 25/00/80/210250080 QMLVECGLEOSESV-VXGBXAGGSA-N 0 357.385 FE 2.066 2 Anodyne low FEAALN C[N@@H+]1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 in-vitro CN1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000000597119 25/00/76/210250076 QMLVECGLEOSESV-VXGBXAGGSA-N -1 357.385 FE 2.066 0 Anodyne ref FEAARM CN1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 in-vitro CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)CNC(C)(C)C)c1 ZINC000000597556 30/49/47/219304947 ANZXOIAKUNOVQU-HNNXBMFYSA-N 1 367.446 FE 2.229 0 Anodyne ref FEAARO CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)C[NH2+]C(C)(C)C)c1 world CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 ZINC000000968328 33/61/94/539336194 YASAKCUCGLMORW-HNNXBMFYSA-N 1 357.435 FE 2.491 2 Anodyne low FEAALO CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1 fda CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 ZINC000000968328 33/61/90/539336190 YASAKCUCGLMORW-HNNXBMFYSA-N -1 357.435 FE 2.491 0 Anodyne ref FEAARM CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1 fda CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1 ZINC000000968330 34/80/94/219348094 YASAKCUCGLMORW-OAHLLOKOSA-N 1 357.435 FE 2.491 2 Anodyne low FEAALO CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1 fda CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1 ZINC000000968330 34/80/89/219348089 YASAKCUCGLMORW-OAHLLOKOSA-N -1 357.435 FE 2.491 0 Anodyne ref FEAARM CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1 fda N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000001278767 86/00/46/203860046 QGPKADBNRMWEQR-MRVPVSSYSA-N 0 365.792 FE 2.364 0 Anodyne ref FEAARN [NH3+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1 in-man O=C(O)CNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000001902516 02/21/63/204022163 GTRXDLWUVNCUFR-UVZCHINQSA-N -1 350.374 FE 2.215 0 Anodyne ref FEAARM O=C([O-])CNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CNC(C)(C)C)c1 ZINC000002021931 02/37/05/204023705 ANZXOIAKUNOVQU-OAHLLOKOSA-N 1 367.446 FE 2.229 0 Anodyne ref FEAARO CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)C[NH2+]C(C)(C)C)c1 world O=C(O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000002095849 34/49/54/539344954 KBEFEQMDJBJJLL-OLZOCXBDSA-N -1 353.378 FE 2.198 0 Anodyne ref FEAARM O=C([O-])c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O O=C(O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 ZINC000002115241 34/45/06/539344506 ANCRUIZRJBSARJ-OCCSQVGLSA-N -1 353.378 FE 2.198 0 Anodyne ref FEAARM O=C([O-])c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 O=C(O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 ZINC000002147370 34/59/59/539345959 ONHACSZYTRSPKH-OCCSQVGLSA-N -1 353.378 FE 2.198 0 Anodyne ref FEAARM O=C([O-])c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000003812842 37/34/74/539373474 TYNLGDBUJLVSMA-UHFFFAOYSA-N -1 368.297 FE 2.011 0 Clean ref FECARM CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)[O-])cc1C2=O world biogenic C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000003881377 37/34/56/539373456 XCEIXRWKIFQZDC-AVPYEELCSA-N 0 352.471 FE 2.427 0 Anodyne ref FEAARN C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@]1(COC(=O)C1)O2 C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000003881378 99/27/32/206992732 XCEIXRWKIFQZDC-TXWGWWACSA-N 0 352.471 FE 2.427 0 Anodyne ref FEAARN C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@]1(COC(=O)C1)O2 C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000003881379 37/36/13/539373613 XCEIXRWKIFQZDC-QQOBTVJVSA-N 0 352.471 FE 2.427 0 Anodyne ref FEAARN C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@]1(COC(=O)C1)O2 C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000003881380 37/31/20/539373120 XCEIXRWKIFQZDC-TYOHIEAGSA-N 0 352.471 FE 2.427 0 Anodyne ref FEAARN C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@]1(COC(=O)C1)O2 N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000003882444 37/36/02/539373602 QGPKADBNRMWEQR-QMMMGPOBSA-N 0 365.792 FE 2.364 0 Anodyne ref FEAARN [NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1 in-man 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 COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 ZINC000004090254 00/03/72/207000372 UHBPGAZIRSJCPQ-HIFRSBDPSA-N 0 367.405 FE 2.286 0 Anodyne ref FEAARN COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 O=C(O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 ZINC000006473466 42/86/14/539428614 ANCRUIZRJBSARJ-GXTWGEPZSA-N -1 353.378 FE 2.198 0 Anodyne ref FEABRM O=C([O-])c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 CCn1cc(C(=O)NCCCCCC(=O)O)c(=O)c2cc3c(cc21)OCO3 ZINC000006645564 25/88/22/204258822 LEMZIFZTPWXQGL-UHFFFAOYSA-N -1 374.393 FE 2.125 0 Anodyne ref FEAARM CCn1cc(C(=O)NCCCCCC(=O)[O-])c(=O)c2cc3c(cc21)OCO3 O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1cc(C(F)(F)F)ccc1Cl ZINC000006719307 26/17/85/204261785 JGYQYBHOWKHPDR-WCBMZHEXSA-N 0 370.805 FE 2.219 0 Anodyne ref FEAARN O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1cc(C(F)(F)F)ccc1Cl O=S1(=O)C[C@@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 ZINC000006719308 15/59/63/207155963 JGYQYBHOWKHPDR-WPRPVWTQSA-N 0 370.805 FE 2.219 0 Anodyne ref FEAARN O=S1(=O)C[C@@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 O=S1(=O)C[C@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000006719309 43/51/72/539435172 JGYQYBHOWKHPDR-PSASIEDQSA-N 0 370.805 FE 2.219 0 Anodyne ref FEAARN O=S1(=O)C[C@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 O=S1(=O)C[C@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 ZINC000006719310 15/63/56/207156356 JGYQYBHOWKHPDR-SCZZXKLOSA-N 0 370.805 FE 2.219 0 Anodyne ref FEAARN O=S1(=O)C[C@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCC(=O)O ZINC000012437263 56/04/70/539560470 QICMKDHDUXOYJU-FOWTUZBSSA-N -1 368.389 FE 2.057 0 Anodyne ref FEAARM CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCC(=O)[O-] COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 ZINC000016025453 15/37/47/211153747 UHBPGAZIRSJCPQ-DZGCQCFKSA-N 0 367.405 FE 2.286 0 Anodyne ref FEABRN COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 COC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000016040193 17/65/75/220176575 HWGSIQVTOVKMIE-KGLIPLIRSA-N 0 367.405 FE 2.286 0 Anodyne ref FEAARN COC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O COC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000016040194 17/64/83/220176483 HWGSIQVTOVKMIE-UONOGXRCSA-N 0 367.405 FE 2.286 0 Anodyne ref FEAARN COC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 O=C(O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 ZINC000016042230 62/64/41/539626441 ONHACSZYTRSPKH-GXTWGEPZSA-N -1 353.378 FE 2.198 0 Anodyne ref FEAARM O=C([O-])c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 O=C(O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000016042767 62/67/21/539626721 KBEFEQMDJBJJLL-QWHCGFSZSA-N -1 353.378 FE 2.198 0 Anodyne ref FEABRM O=C([O-])c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 COC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 ZINC000079124030 94/19/01/208941901 GVUPXGQLPMFZGI-HIFRSBDPSA-N 0 367.405 FE 2.286 0 Anodyne ref FEAARN COC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C(C)(C)C)cc(C(=O)O)c12 ZINC000095095763 95/66/61/542956661 XLMNRNHLAJSLBR-SNVBAGLBSA-N -1 351.428 FE 2.095 0 Anodyne ref FEAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C(C)(C)C)cc(C(=O)[O-])c12 Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(C)(C)C)cc(C(=O)O)c12 ZINC000095095764 02/15/85/209021585 XLMNRNHLAJSLBR-JTQLQIEISA-N -1 351.428 FE 2.095 0 Anodyne ref FEAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(C)(C)C)cc(C(=O)[O-])c12 COC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 ZINC000098063907 22/35/63/222223563 GVUPXGQLPMFZGI-DZGCQCFKSA-N 0 367.405 FE 2.286 0 Anodyne ref FEAARN COC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1