O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000032416 67/26/05/180672605 OQAUWSPVIGNYLE-VIFPVBQESA-N -1 324.185 DE 2.231 0 Anodyne ref DEAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl O=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000032418 67/25/41/180672541 OQAUWSPVIGNYLE-SECBINFHSA-N -1 324.185 DE 2.231 0 Anodyne ref DEAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 ZINC000000057490 68/75/85/401687585 QWCJHSGMANYXCW-UHFFFAOYSA-N 0 314.37 DE 2.255 1 Anodyne mid DEAAMN Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 world Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 ZINC000000057490 68/75/84/401687584 QWCJHSGMANYXCW-UHFFFAOYSA-N -1 314.37 DE 2.255 0 Anodyne ref DEAARM Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1 world CCOC(=O)CNc1ccc(I)cc1 ZINC000000058680 68/76/15/401687615 VEMDCCDETKYAEB-UHFFFAOYSA-N 0 305.115 DE 2.266 0 Anodyne ref DEAARN CCOC(=O)CNc1ccc(I)cc1 COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000060067 68/76/66/401687666 RREBSMVTYUWGKF-UHFFFAOYSA-N 0 305.355 DE 2.055 0 Anodyne ref DEAARN COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 O=C1CC2(CC(=O)Oc3cc(O)ccc32)c2ccc(O)cc2O1 ZINC000000082397 62/10/72/304621072 RMQHSNYXQLJJFO-UHFFFAOYSA-N 0 312.277 DE 2.002 0 Anodyne ref DEAARN O=C1CC2(CC(=O)Oc3cc(O)ccc32)c2ccc(O)cc2O1 O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1 ZINC000000105356 68/81/22/401688122 MCRMUCXATQAAMN-HNNXBMFYSA-N -1 315.325 DE 2.314 0 Anodyne ref DEAARM O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])OCc1ccccc1 in-vitro biogenic O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000000106367 68/81/43/401688143 ZGVIUMKHTXKKOX-UHFFFAOYSA-N -1 317.366 DE 2.132 0 Anodyne ref DEAARM O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 in-vitro CCOc1ccc(-n2nc(C(=O)O)c3ccccc3c2=O)cc1 ZINC000000109891 68/81/47/401688147 VZBKIXDHESVGNH-UHFFFAOYSA-N -1 310.309 DE 2.483 0 Anodyne ref DEAARM CCOc1ccc(-n2nc(C(=O)[O-])c3ccccc3c2=O)cc1 CCOC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CCCC2 ZINC000000116584 68/82/86/401688286 KMZFIVKQSIVDCT-UHFFFAOYSA-N 0 305.355 DE 2.233 0 Anodyne ref DEAARN CCOC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CCCC2 CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2O)cc1 ZINC000000121274 68/82/25/401688225 OCSGTUOFPZNBQW-UHFFFAOYSA-N 0 306.343 DE 2.151 1 Anodyne mid DEAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2O)cc1 CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2O)cc1 ZINC000000121274 68/82/24/401688224 OCSGTUOFPZNBQW-UHFFFAOYSA-N -1 306.343 DE 2.151 0 Anodyne ref DEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000133697 68/84/04/401688404 SBHJWGVUVFVDMN-JTQLQIEISA-N -1 324.185 DE 2.231 0 Anodyne ref DEAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000133701 68/83/78/401688378 SBHJWGVUVFVDMN-SNVBAGLBSA-N -1 324.185 DE 2.231 0 Anodyne ref DEAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 COC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000000140278 68/84/86/401688486 SPUMLKDJCUGQNC-UHFFFAOYSA-N 0 305.355 DE 2.298 0 Anodyne ref DEAARN COC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 COc1ccc(CCNC(=O)c2ccccc2N)cc1OC ZINC000000150127 70/92/43/180709243 HNRBTBTZWBBYGN-UHFFFAOYSA-N 0 300.358 DE 2.259 0 Anodyne ref DEAARN COc1ccc(CCNC(=O)c2ccccc2N)cc1OC CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O ZINC000000166225 68/87/44/401688744 OBAXKZOSVQFXHA-NSHDSACASA-N -1 305.783 DE 2.118 0 Anodyne ref DEAARM CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1 ZINC000000182817 68/94/72/401689472 OQSZDEQZBBOCCP-UHFFFAOYSA-N -1 305.355 DE 2.275 0 Anodyne ref DEAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1 Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1 ZINC000000182826 68/96/60/401689660 CRRKUZBZMCUHGR-UHFFFAOYSA-N -1 305.355 DE 2.275 0 Anodyne ref DEAARM Cc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c1 COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000182831 68/97/07/401689707 MHJLWQJCHUYYHX-UHFFFAOYSA-N 0 319.382 DE 2.363 0 Anodyne ref DEAARN COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 O=C(O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000190796 26/96/66/304269666 LAXXNQDTKSMKOA-UHFFFAOYSA-N -1 312.237 DE 2.094 0 Bother ref DEBARM O=C([O-])c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O COc1ccc(CN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 ZINC000000194833 68/99/91/401689991 JVIJCICMASYNLD-UHFFFAOYSA-N -1 311.293 DE 2.19 0 Anodyne ref DEAARM COc1ccc(CN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 O=C(O)CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000204784 43/10/70/134431070 DYHIYKFBLHNKCE-UHFFFAOYSA-N -1 310.781 DE 2.244 0 Anodyne ref DEAARM O=C([O-])CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1 ZINC000000216520 69/12/49/401691249 KVTANZMSACMJTP-UHFFFAOYSA-N -1 319.382 DE 2.271 0 Anodyne ref DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 ZINC000000217773 69/12/34/401691234 OTZHXCCMICWGTF-UHFFFAOYSA-N -1 311.359 DE 2.47 0 Anodyne ref DEAARM CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1 CS(=O)(=O)N(Cc1ccc(C(=O)O)cc1)c1ccccc1 ZINC000000233965 69/18/59/401691859 JFUWLPUHRWSDBJ-UHFFFAOYSA-N -1 305.355 DE 2.351 0 Anodyne ref DEAARM CS(=O)(=O)N(Cc1ccc(C(=O)[O-])cc1)c1ccccc1 O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000000258391 69/23/26/401692326 HYIVTZUWMATGLX-UHFFFAOYSA-N -1 321.329 DE 2.275 0 Anodyne ref DEAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 ZINC000000258673 69/23/91/401692391 GUNONIQPSZDDRR-UHFFFAOYSA-N -1 305.355 DE 2.172 0 Anodyne ref DEAARM Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1 Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)O)c(C)cc1Cl ZINC000000265765 38/42/91/301384291 YNUNTLUMSYLXOL-NSHDSACASA-N -1 317.794 DE 2.195 0 Anodyne ref DEAARM Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c(C)cc1Cl Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c(C)cc1Cl ZINC000000265771 38/35/30/301383530 YNUNTLUMSYLXOL-LLVKDONJSA-N -1 317.794 DE 2.195 0 Anodyne ref DEAARM Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c(C)cc1Cl CC[C@](NS(=O)(=O)c1ccccc1)(C(=O)O)c1ccccc1 ZINC000000269252 69/28/86/401692886 DULROBPPXIHIIE-MRXNPFEDSA-N -1 319.382 DE 2.355 0 Anodyne ref DEAARM CC[C@](NS(=O)(=O)c1ccccc1)(C(=O)[O-])c1ccccc1 CC[C@@](NS(=O)(=O)c1ccccc1)(C(=O)O)c1ccccc1 ZINC000000269253 69/28/02/401692802 DULROBPPXIHIIE-INIZCTEOSA-N -1 319.382 DE 2.355 0 Anodyne ref DEAARM CC[C@@](NS(=O)(=O)c1ccccc1)(C(=O)[O-])c1ccccc1 CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)O ZINC000000284446 74/72/76/180747276 VHAXDHPAMFQVPQ-UHFFFAOYSA-N -1 305.355 DE 2.351 0 Anodyne ref DEAARM CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-] CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 ZINC000000285230 69/32/12/401693212 CPZBKHKLOBBICZ-UHFFFAOYSA-N -1 309.277 DE 2.388 0 Anodyne ref DEAARM CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000000312980 69/45/22/401694522 GVNYVKRDASNULU-AWEZNQCLSA-N -1 305.355 DE 2.077 0 Anodyne ref DEAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000000312986 69/47/30/401694730 GVNYVKRDASNULU-CQSZACIVSA-N -1 305.355 DE 2.077 0 Anodyne ref DEAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000000315425 69/44/52/401694452 YJRWFMTYVPFTHY-UHFFFAOYSA-N 0 323.345 DE 2.194 0 Anodyne ref DEAARN COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 O=C(O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000000323758 69/43/23/401694323 MDJITYWHEVEXJY-UHFFFAOYSA-N -1 319.382 DE 2.325 0 Anodyne ref DEAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 COc1cc(C=O)cc(I)c1OC(C)=O ZINC000000336061 76/05/61/180760561 KXJCBGCRUMRKIB-UHFFFAOYSA-N 0 320.082 DE 2.038 0 Anodyne ref DEAARN COc1cc(C=O)cc(I)c1OC(C)=O COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000000379243 69/63/89/401696389 JYPSHHKBKWFMSW-UHFFFAOYSA-N 0 323.345 DE 2.194 0 Anodyne ref DEAARN COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2)cc1 ZINC000000379402 69/63/74/401696374 AJIDBRPPICAPET-UHFFFAOYSA-N -1 323.345 DE 2.414 0 Anodyne ref DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(F)cc2)cc1 CN(CC(=O)O)S(=O)(=O)c1cccc2cccc(Cl)c12 ZINC000000381822 69/63/62/401696362 JQHASINFKFCSFT-UHFFFAOYSA-N -1 313.762 DE 2.198 0 Anodyne ref DEAARM CN(CC(=O)[O-])S(=O)(=O)c1cccc2cccc(Cl)c12 COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000000444087 69/83/72/401698372 OZDIPMDERAXHJW-UHFFFAOYSA-N 0 319.382 DE 2.363 0 Anodyne ref DEAARN COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 Nc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000448514 79/43/51/180794351 HZQBEZHTQOYYLA-UHFFFAOYSA-N 0 300.27 DE 2.217 0 Bother ref DEBARN Nc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 COC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000000566143 70/13/03/401701303 LVDMKFBCJZOWFD-UHFFFAOYSA-N 0 319.382 DE 2.439 0 Anodyne ref DEAARN COC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)O)cc1 ZINC000000566181 82/25/74/180822574 FVFLARIDPSVMRR-UHFFFAOYSA-N -1 305.355 DE 2.351 0 Anodyne ref DEAARM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)[O-])cc1 Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000001068127 70/39/15/401703915 GABUUVCNHRWWHB-UHFFFAOYSA-N 0 305.765 DE 2.478 0 Anodyne ref DEAARN Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 COc1ccc([C@@H]2N=C(N)Nc3nc4ccccc4n32)cc1OC ZINC000001432615 70/78/02/401707802 IJYBPRVKTGYSGW-OAHLLOKOSA-N 0 323.356 DE 2.341 1 Anodyne mid DEAAMN COc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1OC COc1ccc([C@@H]2N=C(N)Nc3nc4ccccc4n32)cc1OC ZINC000001432615 70/77/99/401707799 IJYBPRVKTGYSGW-OAHLLOKOSA-N 1 323.356 DE 2.341 0 Anodyne ref DEAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O ZINC000001442043 70/78/30/401707830 ROCPTMBJHXPFIQ-UHFFFAOYSA-N -1 302.717 DE 2.424 3 Anodyne high DEAAHM Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1[O-] Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O ZINC000001442043 70/78/27/401707827 ROCPTMBJHXPFIQ-UHFFFAOYSA-N 0 302.717 DE 2.424 0 Anodyne ref DEAARN Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O Cc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1 ZINC000001618829 70/92/93/401709293 NEYAJGGMLUBRQR-UHFFFAOYSA-N -1 305.355 DE 2.275 0 Anodyne ref DEAARM Cc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1 COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1O ZINC000001747302 71/05/27/401710527 NSTQUZVZBUTVPY-UHFFFAOYSA-N -2 302.282 DE 2.407 3 Anodyne high DEAAHL COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2[O-])c1[O-] in-man endogenous COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1O ZINC000001747302 71/05/25/401710525 NSTQUZVZBUTVPY-UHFFFAOYSA-N 0 302.282 DE 2.407 1 Anodyne mid DEAAMN COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1O in-man endogenous COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1O ZINC000001747302 71/05/20/401710520 NSTQUZVZBUTVPY-UHFFFAOYSA-N -1 302.282 DE 2.407 0 Anodyne ref DEAARM COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1[O-] in-man endogenous O=C(O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000001753925 24/64/49/304246449 KIXLEFNFHOAVJO-UHFFFAOYSA-N -1 312.237 DE 2.094 0 Bother ref DEBARM O=C([O-])c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 CCOC(=O)C(C(=O)OCC)c1ccc2cccc(O)c2n1 ZINC000002026072 71/17/40/401711740 SPCVJOAWSRWHGS-UHFFFAOYSA-N 0 303.314 DE 2.15 0 Anodyne ref DEAARN CCOC(=O)C(C(=O)OCC)c1ccc2cccc(O)c2n1 O=C1Nc2c(Br)cc(Br)cc2C1=O ZINC000002167228 30/26/00/280302600 QCTZEHIRXZGGSD-UHFFFAOYSA-N -1 304.925 DE 2.346 3 Anodyne high DEAAHM O=C1[N-]c2c(Br)cc(Br)cc2C1=O O=C1Nc2c(Br)cc(Br)cc2C1=O ZINC000002167228 30/25/94/280302594 QCTZEHIRXZGGSD-UHFFFAOYSA-N 0 304.925 DE 2.346 0 Anodyne ref DEAARN O=C1Nc2c(Br)cc(Br)cc2C1=O CS(=O)(=O)N(CC(=O)O)c1ccc(Oc2ccccc2)cc1 ZINC000002905927 72/02/61/401720261 PYMPOUVCFQXMEM-UHFFFAOYSA-N -1 321.354 DE 2.33 0 Anodyne ref DEAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(Oc2ccccc2)cc1 Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)cc1 ZINC000002954892 72/02/43/401720243 JGPYEJAIONGROF-UHFFFAOYSA-N -1 323.345 DE 2.414 0 Anodyne ref DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2F)cc1 COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1O ZINC000003881954 05/23/19/181052319 LRCLIDIMQAJTGZ-GQCTYLIASA-N 0 302.282 DE 2.264 2 Mild low DEEALN COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1O COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1O ZINC000003881954 05/23/18/181052318 LRCLIDIMQAJTGZ-GQCTYLIASA-N -1 302.282 DE 2.264 0 Mild ref DEEARM COc1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)ccc1O COC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000003883852 05/25/20/181052520 LGHKBJKZINPCMI-UHFFFAOYSA-N 0 312.391 DE 2.41 0 Anodyne ref DEAARN COC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)C2 O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003885223 05/24/42/181052442 IYPKFPRPNYXJDZ-UHFFFAOYSA-N 0 304.755 DE 2.423 0 Bother ref DEBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl O=C(O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000004012474 99/05/31/295990531 ZQQMHXVUPKKVJQ-UHFFFAOYSA-N -1 312.237 DE 2.094 0 Bother ref DEBARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O O=C(O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000004206323 08/55/70/181085570 SOJAKGJUMHFNTK-UHFFFAOYSA-N -1 312.163 DE 2.386 0 Anodyne ref DEAARM O=C([O-])C1CCN(C(=O)c2ccc(Br)cc2)CC1 COc1ccc(C(=O)O)cc1Cn1cc(Br)cn1 ZINC000004237610 08/68/86/181086886 GEJSZHKSJGWWSQ-UHFFFAOYSA-N -1 311.135 DE 2.401 0 Anodyne ref DEAARM COc1ccc(C(=O)[O-])cc1Cn1cc(Br)cn1 COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000004387153 72/62/10/401726210 PIPVSPUUJHKEKJ-UHFFFAOYSA-N 0 311.385 DE 2.24 0 Clean ref DECARN COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 COc1ccc([C@H]2N=C(N)Nc3nc4ccccc4n32)cc1OC ZINC000004622784 37/96/11/286379611 IJYBPRVKTGYSGW-HNNXBMFYSA-N 0 323.356 DE 2.341 1 Anodyne mid DEAAMN COc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1OC COc1ccc([C@H]2N=C(N)Nc3nc4ccccc4n32)cc1OC ZINC000004622784 37/95/98/286379598 IJYBPRVKTGYSGW-HNNXBMFYSA-N 1 323.356 DE 2.341 0 Anodyne ref DEAARO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC O=C(O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000004641817 13/14/42/181131442 CEWNGHCLOILHLU-UHFFFAOYSA-N -1 309.318 DE 2.106 0 Anodyne ref DEAARM O=C([O-])CN(c1ccccc1F)S(=O)(=O)c1ccccc1 CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2F)CC1 ZINC000004670150 13/48/53/181134853 MYGQBNGOLGUWLH-UHFFFAOYSA-N -1 319.329 DE 2.084 0 Anodyne ref DEAARM CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 CCC(=O)OCCNc1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000004676583 13/55/03/181135503 VKOARRBGUYSSTB-UHFFFAOYSA-N 0 314.685 DE 2.149 0 Bother ref DEBARN CCC(=O)OCCNc1cc(Cl)c2nonc2c1[N+](=O)[O-] Cc1cc(C)nc(NC(=N)NC2CC(C)(C)NC(C)(C)C2)n1 ZINC000004702298 13/97/14/181139714 HQCUDGKPMWMESJ-UHFFFAOYSA-N 1 304.442 DE 2.339 3 Anodyne high DEAAHO Cc1cc(C)nc(NC(=N)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 Cc1cc(C)nc(NC(=N)NC2CC(C)(C)NC(C)(C)C2)n1 ZINC000004702298 13/97/13/181139713 HQCUDGKPMWMESJ-UHFFFAOYSA-N 2 304.442 DE 2.339 0 Anodyne ref DEAARP Cc1cc(C)nc(NC(=[NH2+])NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 O=C(O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000004714192 14/11/25/181141125 OQMQAQIMIHSBRB-UHFFFAOYSA-N -1 309.318 DE 2.106 0 Anodyne ref DEAARM O=C([O-])CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 CC1=NN(c2c(C)cc(S(=O)(=O)O)cc2Cl)C(=O)C1 ZINC000004731370 14/35/48/181143548 QENFKLWBWWDGLL-UHFFFAOYSA-N -2 302.739 DE 2.008 1 Anodyne mid DEAAML Cc1cc(=O)n(-c2c(C)cc(S(=O)(=O)[O-])cc2Cl)[n-]1 CC1=NN(c2c(C)cc(S(=O)(=O)O)cc2Cl)C(=O)C1 ZINC000004731370 14/35/46/181143546 QENFKLWBWWDGLL-UHFFFAOYSA-N -1 302.739 DE 2.008 0 Anodyne ref DEAARM Cc1cc(=O)n(-c2c(C)cc(S(=O)(=O)[O-])cc2Cl)[nH]1 Nc1cc(Cl)ccc1N1CCN(C(=O)C(F)(F)F)CC1 ZINC000004733395 46/38/84/134463884 OTQZTQVTUTWHQL-UHFFFAOYSA-N 0 307.703 DE 2.133 0 Anodyne ref DEAARN Nc1cc(Cl)ccc1N1CCN(C(=O)C(F)(F)F)CC1 Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1 ZINC000004746107 14/69/67/181146967 IKRNEOSZRFEACP-UHFFFAOYSA-N -1 305.355 DE 2.275 0 Anodyne ref DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2)cc1 C[C@@H](C(=O)O)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000004777325 80/20/74/295802074 PAWJVQRKPRWXGU-LURJTMIESA-N -1 312.174 DE 2.232 0 Anodyne ref DEAARM C[C@@H](C(=O)[O-])N(c1cc(Cl)ccc1Cl)S(C)(=O)=O C[C@H](C(=O)O)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000004777326 21/54/26/298215426 PAWJVQRKPRWXGU-ZCFIWIBFSA-N -1 312.174 DE 2.232 0 Anodyne ref DEAARM C[C@H](C(=O)[O-])N(c1cc(Cl)ccc1Cl)S(C)(=O)=O COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 ZINC000005100687 92/39/04/290923904 YACMDHRSHMWFOL-GFCCVEGCSA-N 0 304.737 DE 2.393 0 Anodyne ref DEAARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 ZINC000005100691 92/39/30/290923930 YACMDHRSHMWFOL-LBPRGKRZSA-N 0 304.737 DE 2.393 0 Anodyne ref DEAARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000005112972 72/89/76/401728976 CLJBZDLMIKLPAG-UHFFFAOYSA-N 0 319.382 DE 2.363 0 Anodyne ref DEAARN COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 ZINC000005179298 72/88/79/401728879 BRQWJRXWXQPCLC-OZVVPTBGSA-N 0 302.261 DE 2.045 0 Bother ref DEBARN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 ZINC000005179309 01/20/57/285012057 BRQWJRXWXQPCLC-XXHBBNRNSA-N 0 302.261 DE 2.045 0 Bother ref DEBARN O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F ZINC000005179411 32/04/41/280320441 GQGWKBHKXJCSDL-OZVVPTBGSA-N 0 302.261 DE 2.045 0 Bother ref DEBARN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F ZINC000005179419 01/20/45/285012045 GQGWKBHKXJCSDL-XXHBBNRNSA-N 0 302.261 DE 2.045 0 Bother ref DEBARN O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F O=C1CC(c2ccccc2)=NN1c1ccccc1S(=O)(=O)O ZINC000005278876 22/58/41/181225841 LJMVVICUDHEKNL-UHFFFAOYSA-N -1 316.338 DE 2.074 2 Anodyne low DEAALM O=C1CC(c2ccccc2)=NN1c1ccccc1S(=O)(=O)[O-] O=C1CC(c2ccccc2)=NN1c1ccccc1S(=O)(=O)O ZINC000005278876 22/58/39/181225839 LJMVVICUDHEKNL-UHFFFAOYSA-N -1 316.338 DE 2.074 1 Anodyne mid DEAAMM O=c1cc(-c2ccccc2)[nH]n1-c1ccccc1S(=O)(=O)[O-] O=C1CC(c2ccccc2)=NN1c1ccccc1S(=O)(=O)O ZINC000005278876 22/58/37/181225837 LJMVVICUDHEKNL-UHFFFAOYSA-N -2 316.338 DE 2.074 0 Anodyne ref DEAARL O=c1cc(-c2ccccc2)[n-]n1-c1ccccc1S(=O)(=O)[O-] CCN(CC)C(=O)c1sc(NC(=O)CC#N)c(C#N)c1C ZINC000005470610 24/76/50/181247650 VBGUBNMLZTVULW-UHFFFAOYSA-N 0 304.375 DE 2.262 0 Mild ref DEEARN CCN(CC)C(=O)c1sc(NC(=O)CC#N)c(C#N)c1C CCOc1ccccc1NC(=O)COC(=O)c1ccc(N)cc1 ZINC000005709412 27/57/17/181275717 CAEIYQJCXHYCFT-UHFFFAOYSA-N 0 314.341 DE 2.463 0 Anodyne ref DEAARN CCOc1ccccc1NC(=O)COC(=O)c1ccc(N)cc1 C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N)cc1 ZINC000005709430 27/54/58/181275458 LSDULSQJWJSEOE-GFCCVEGCSA-N 0 310.353 DE 2.403 0 Anodyne ref DEAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N)cc1 C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N)cc1 ZINC000005709431 27/52/91/181275291 LSDULSQJWJSEOE-LBPRGKRZSA-N 0 310.353 DE 2.403 0 Anodyne ref DEAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N)cc1 Cc1cc(=O)[nH]c(/N=C(/N)Nc2cccc(C(F)(F)F)c2)n1 ZINC000005790281 28/44/05/181284405 QSNIXWSCVYGZMC-UHFFFAOYSA-N -1 311.267 DE 2.155 3 Mild high DEEAHM Cc1cc(=O)[n-]c(NC(=N)Nc2cccc(C(F)(F)F)c2)n1 Cc1cc(=O)[nH]c(/N=C(/N)Nc2cccc(C(F)(F)F)c2)n1 ZINC000005790281 28/44/04/181284404 QSNIXWSCVYGZMC-UHFFFAOYSA-N 0 311.267 DE 2.155 3 Mild high DEEAHN Cc1cc(=O)[n-]c(NC(=[NH2+])Nc2cccc(C(F)(F)F)c2)n1