COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC ZINC000000025570 49/14/13/452491413 JGOPTESGPYJSBC-NVNXTCNLSA-N -1 328.32 EG 3.034 1 Mild mid EGEAMM COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)c(OC)c1OC COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC ZINC000000025570 49/13/61/452491361 JGOPTESGPYJSBC-NVNXTCNLSA-N 0 328.32 EG 3.034 0 Mild ref EGEARN COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057530 39/36/15/209393615 YXWQTVWJNHKSCC-INIZCTEOSA-N 0 343.423 EG 3.151 3 Anodyne high EGAAHN COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC in-vitro COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057530 39/36/10/209393610 YXWQTVWJNHKSCC-INIZCTEOSA-N 0 343.423 EG 3.151 0 Anodyne ref EGAARN COc1ccc(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC in-vitro COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057531 90/27/86/277902786 YXWQTVWJNHKSCC-MRXNPFEDSA-N 0 343.423 EG 3.151 3 Anodyne high EGAAHN COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC in-vitro COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057531 90/27/84/277902784 YXWQTVWJNHKSCC-MRXNPFEDSA-N 1 343.423 EG 3.151 0 Anodyne ref EGAARO COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC in-vitro O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000058332 39/48/51/209394851 FPLAUQPIWAEVOZ-UHFFFAOYSA-N 0 346.343 EG 3.341 0 Bother ref EGBARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 O=C(O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000000060347 25/18/40/304251840 RPULTEWMPQHULS-UHFFFAOYSA-N -1 336.13 EG 3.492 0 Anodyne ref EGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000000069757 49/78/03/452497803 LVGRZMPHTFMGEL-UHFFFAOYSA-N -1 335.237 EG 3.204 0 Anodyne ref EGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1 ZINC000000080832 40/69/78/209406978 AHYFYYVVAXRMKB-KRWDZBQOSA-N -1 338.363 EG 3.09 0 Anodyne ref EGAARM O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])OCc1ccccc1 in-vitro biogenic COC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000000084080 42/54/35/277425435 LBEZGOKIWFFCDU-UHFFFAOYSA-N 0 347.296 EG 3.3 0 Anodyne ref EGAARN COC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 O=C(Nc1cc(Cl)ccc1O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000086807 50/19/94/452501994 WMXURTJOPMVIJF-NSHDSACASA-N -1 330.771 EG 3.037 3 Anodyne high EGAAHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(=O)N(c2ccccc2)C1 O=C(Nc1cc(Cl)ccc1O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000086807 50/19/83/452501983 WMXURTJOPMVIJF-NSHDSACASA-N 0 330.771 EG 3.037 0 Anodyne ref EGAARN O=C(Nc1cc(Cl)ccc1O)[C@H]1CC(=O)N(c2ccccc2)C1 O=C(Nc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000000086808 50/24/04/452502404 WMXURTJOPMVIJF-LLVKDONJSA-N -1 330.771 EG 3.037 3 Anodyne high EGAAHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 O=C(Nc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000000086808 50/23/98/452502398 WMXURTJOPMVIJF-LLVKDONJSA-N 0 330.771 EG 3.037 0 Anodyne ref EGAARN O=C(Nc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(c2ccccc2)C1 CCOC(=O)c1sc(=S)n(-c2cc(OC)ccc2OC)c1N ZINC000000088392 50/43/19/452504319 RSSXEJBXRZYZMO-UHFFFAOYSA-N 0 340.426 EG 3.044 0 Anodyne ref EGAARN CCOC(=O)c1sc(=S)n(-c2cc(OC)ccc2OC)c1N COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(OC)c1OC ZINC000000094087 50/58/66/452505866 HICJFGUVXOQAFR-ZROIWOOFSA-N 0 339.347 EG 3.057 0 Anodyne ref EGAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(OC)c1OC Cc1cc(Br)ccc1NCN1C(=O)c2ccccc2C1=O ZINC000000097811 50/56/53/452505653 APQVRLMOTSHLDO-UHFFFAOYSA-N 0 345.196 EG 3.423 0 Anodyne ref EGAARN Cc1cc(Br)ccc1NCN1C(=O)c2ccccc2C1=O CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2OC)c1C ZINC000000099041 50/63/69/452506369 JEZBCBFVAXJLDN-UHFFFAOYSA-N 0 334.397 EG 3.076 0 Anodyne ref EGAARN CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2OC)c1C Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000000124815 51/39/87/452513987 CHILHFIBGZGEEQ-UHFFFAOYSA-N 0 342.38 EG 3.212 0 Bother ref EGBARN Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 CCOC(=O)c1c(N)sc(C(=O)Nc2ccc(OC)cc2)c1C ZINC000000181559 52/98/12/452529812 GMDIHVABFGQCSB-UHFFFAOYSA-N 0 334.397 EG 3.076 0 Anodyne ref EGAARN CCOC(=O)c1c(N)sc(C(=O)Nc2ccc(OC)cc2)c1C CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)NC(=O)N1 ZINC000000182956 52/96/27/452529627 JISBOJIHFHAQPL-OAHLLOKOSA-N 0 328.393 EG 3.119 0 Anodyne ref EGAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)NC(=O)N1 CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)NC(=O)N1 ZINC000000182960 47/07/16/209470716 JISBOJIHFHAQPL-HNNXBMFYSA-N 0 328.393 EG 3.119 0 Anodyne ref EGAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)NC(=O)N1 O=C(O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000203565 25/11/62/304251162 LRERUEHSZCRKIC-QGZVFWFLSA-N -1 327.405 EG 3.202 0 Anodyne ref EGAARM O=C([O-])c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 O=C(O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000203568 25/06/27/304250627 LRERUEHSZCRKIC-KRWDZBQOSA-N -1 327.405 EG 3.202 0 Anodyne ref EGAARM O=C([O-])c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 COc1ccc(NC(=O)c2sc(N)c(C(=O)OC(C)C)c2C)cc1 ZINC000000204309 53/52/40/452535240 RVKABJHVIHZIKE-UHFFFAOYSA-N 0 348.424 EG 3.465 0 Anodyne ref EGAARN COc1ccc(NC(=O)c2sc(N)c(C(=O)OC(C)C)c2C)cc1 COC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000205388 53/50/66/452535066 LCGQEERJQFLNLJ-KRWDZBQOSA-N 0 327.405 EG 3.247 0 Anodyne ref EGAARN COC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 COC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000205390 53/51/84/452535184 LCGQEERJQFLNLJ-QGZVFWFLSA-N 0 327.405 EG 3.247 0 Anodyne ref EGAARN COC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)O)cc12 ZINC000000211818 53/66/35/452536635 NMVIGYPBNGYGGC-UHFFFAOYSA-N 0 341.411 EG 3.337 2 Anodyne low EGAALN Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)CCC(=O)[O-])cc12 Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)O)cc12 ZINC000000211818 53/66/22/452536622 NMVIGYPBNGYGGC-UHFFFAOYSA-N -1 341.411 EG 3.337 0 Anodyne ref EGAARM Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)[O-])cc12 COc1ccc(C(CC(=O)O)c2ccc(OC)c(OC)c2)cc1OC ZINC000000217006 45/08/83/201450883 KSZUUOFEQVFRQF-UHFFFAOYSA-N -1 346.379 EG 3.328 0 Anodyne ref EGAARM COc1ccc(C(CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1 ZINC000000224890 04/67/19/295046719 ZIZDJEVOZFFKAS-UHFFFAOYSA-N -1 337.257 EG 3.122 0 Anodyne ref EGAARM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)cc1 O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000000231626 25/20/03/304252003 NIYITOBHYIPJJI-UHFFFAOYSA-N -1 336.13 EG 3.492 0 Anodyne ref EGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000000243222 54/62/25/452546225 WQJRCVALNJFUHE-UHFFFAOYSA-N -1 336.13 EG 3.492 0 Anodyne ref EGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)O)ccc12 ZINC000000253049 54/78/65/452547865 XBWXIAFVOFIVEA-UHFFFAOYSA-N -1 338.359 EG 3.464 0 Anodyne ref EGAARM Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)[O-])ccc12 Nc1ccc(Oc2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 ZINC000000265857 54/94/26/452549426 BGDFTQNJGBLDBV-UHFFFAOYSA-N 0 345.358 EG 3.252 0 Clean ref EGCARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 Nc1ccc(Oc2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000000265865 51/04/75/209510475 KBQAHWRFBGDJAD-UHFFFAOYSA-N 0 334.331 EG 3.45 0 Clean ref EGCARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 COc1cc(-n2c(C)nc3cc(C(=O)O)ccc32)cc(OC)c1OC ZINC000000266878 55/01/60/452550160 RBZOCMDZFLQPML-UHFFFAOYSA-N 0 342.351 EG 3.058 2 Anodyne low EGAALN COc1cc(-n2c(C)[nH+]c3cc(C(=O)[O-])ccc32)cc(OC)c1OC COc1cc(-n2c(C)nc3cc(C(=O)O)ccc32)cc(OC)c1OC ZINC000000266878 55/01/51/452550151 RBZOCMDZFLQPML-UHFFFAOYSA-N -1 342.351 EG 3.058 0 Anodyne ref EGAARM COc1cc(-n2c(C)nc3cc(C(=O)[O-])ccc32)cc(OC)c1OC O=C(O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000000275873 22/98/24/304229824 AFSLRXYYANFMSX-UHFFFAOYSA-N -1 325.221 EG 3.252 0 Anodyne ref EGAARM O=C([O-])c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12 ZINC000000275879 55/28/04/452552804 HPHIECSLGTYDHH-UHFFFAOYSA-N -1 325.221 EG 3.252 0 Anodyne ref EGAARM O=C([O-])c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12 COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1 ZINC000000275882 55/23/82/452552382 RAQDYXSUXDKBDZ-UHFFFAOYSA-N -1 337.257 EG 3.122 0 Anodyne ref EGAARM COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)[O-])c3n2)cc1 O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000000275909 22/97/80/304229780 DCKWLYGFBWFABD-UHFFFAOYSA-N -1 333.269 EG 3.212 0 Anodyne ref EGAARM O=C([O-])c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 ZINC000000277550 55/20/76/452552076 PSRBPWWNHRUUQP-UHFFFAOYSA-N -1 339.8 EG 3.004 0 Anodyne ref EGAARM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)[O-])cc1 Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 ZINC000000296063 45/80/22/201458022 RFKQXXYILVIETM-UHFFFAOYSA-N -1 325.773 EG 3.147 1 Anodyne mid EGAAMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 ZINC000000296063 45/80/17/201458017 RFKQXXYILVIETM-UHFFFAOYSA-N -2 325.773 EG 3.147 0 Anodyne ref EGAARL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000000332897 56/60/42/452566042 PSNLDGFHMAKHOZ-UHFFFAOYSA-N 0 334.169 EG 3.071 0 Anodyne ref EGAARN Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 Cc1cc(O)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21 ZINC000000350899 56/86/23/452568623 HXBJIGYKYDLFGM-UHFFFAOYSA-N 0 330.409 EG 3.385 0 Anodyne ref EGAARN Cc1cc(O)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21 CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 ZINC000000378299 57/39/06/452573906 BIYWSLRZCGRNJO-UHFFFAOYSA-N -1 326.352 EG 3.232 0 Anodyne ref EGAARM CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 CC(C)c1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1 ZINC000000379986 57/36/39/452573639 AJKLXWBDOWQANC-UHFFFAOYSA-N -1 333.409 EG 3.09 0 Anodyne ref EGAARM CC(C)c1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1 O=S(=O)(c1ccccc1)N1CCc2cc(Br)ccc21 ZINC000000381968 56/08/67/209560867 KKMGBMHSUAXNOJ-UHFFFAOYSA-N 0 338.226 EG 3.201 0 Anodyne ref EGAARN O=S(=O)(c1ccccc1)N1CCc2cc(Br)ccc21 COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000000439915 59/25/37/452592537 XWXIKNILTNQOQH-UHFFFAOYSA-N 0 347.436 EG 3.178 0 Anodyne ref EGAARN COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 COc1ccccc1NC(=O)c1sc(N)c(C(=O)OC(C)C)c1C ZINC000000442748 59/35/80/452593580 QTOVNBVUFJLMCE-UHFFFAOYSA-N 0 348.424 EG 3.465 0 Anodyne ref EGAARN COc1ccccc1NC(=O)c1sc(N)c(C(=O)OC(C)C)c1C COC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000000442862 60/24/31/209602431 ZBEKKQMGPDVHTI-UHFFFAOYSA-N 0 347.436 EG 3.056 0 Anodyne ref EGAARN COC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 CC(C)Oc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000448483 59/44/79/452594479 ZHILBRRLZPQENS-UHFFFAOYSA-N -1 336.369 EG 3.183 0 Bother ref EGBARM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000000454681 59/73/97/452597397 BUXSBYXHQMQTOF-UHFFFAOYSA-N -1 338.359 EG 3.464 0 Anodyne ref EGAARM Cc1cc(OCC(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)O)ccc23)cc1 ZINC000000486911 48/04/26/201480426 HXRDDBNOBBLTLY-UHFFFAOYSA-N -1 340.331 EG 3.24 0 Anodyne ref EGAARM COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)[O-])ccc23)cc1 CC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1 ZINC000000489381 07/51/26/278075126 RKISQQCZJAUBPR-IEBWSBKVSA-N -1 334.375 EG 3.115 0 Anodyne ref EGAARM CC(=O)N1[C@@H](C(=O)[O-])Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1 CC(=O)N1[C@@H](c2ccccc2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O ZINC000000489382 07/49/86/278074986 RKISQQCZJAUBPR-MJGOQNOKSA-N -1 334.375 EG 3.115 0 Anodyne ref EGAARM CC(=O)N1[C@@H](c2ccccc2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] COc1ccc(-c2nnc(S)n2Cc2ccccc2)cc1OC ZINC000000531757 61/65/20/452616520 IIDFAXMMSCHQJR-UHFFFAOYSA-N 0 327.409 EG 3.299 0 Anodyne ref EGAARN COc1ccc(C2N=NC(=S)N2Cc2ccccc2)cc1OC Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1 ZINC000000581234 62/87/03/452628703 ZZEKYGKBIRSMBN-UHFFFAOYSA-N -1 339.8 EG 3.456 1 Anodyne mid EGAAMM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1 ZINC000000581234 62/86/97/452628697 ZZEKYGKBIRSMBN-UHFFFAOYSA-N -2 339.8 EG 3.456 0 Anodyne ref EGAARL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1 ZINC000000581958 62/72/10/452627210 AQABOWZIGHACEE-UHFFFAOYSA-N -1 339.8 EG 3.456 1 Anodyne mid EGAAMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1 ZINC000000581958 62/72/01/452627201 AQABOWZIGHACEE-UHFFFAOYSA-N -2 339.8 EG 3.456 0 Anodyne ref EGAARL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1C ZINC000000582405 62/79/05/452627905 VEOGVLXHXVOZSC-UHFFFAOYSA-N -1 339.8 EG 3.456 1 Anodyne mid EGAAMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1C ZINC000000582405 62/78/95/452627895 VEOGVLXHXVOZSC-UHFFFAOYSA-N -2 339.8 EG 3.456 0 Anodyne ref EGAARL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C Cc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl ZINC000000582544 62/79/26/452627926 CTPZLZGKFXJXTR-UHFFFAOYSA-N -1 325.773 EG 3.147 1 Anodyne mid EGAAMM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl Cc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl ZINC000000582544 62/79/15/452627915 CTPZLZGKFXJXTR-UHFFFAOYSA-N -2 325.773 EG 3.147 0 Anodyne ref EGAARL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1C ZINC000000582620 62/84/50/452628450 JOCPYUDYLUDHFW-UHFFFAOYSA-N -1 339.8 EG 3.456 1 Anodyne mid EGAAMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1C ZINC000000582620 62/84/42/452628442 JOCPYUDYLUDHFW-UHFFFAOYSA-N -2 339.8 EG 3.456 0 Anodyne ref EGAARL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)O)cc1 ZINC000000608976 63/04/34/452630434 KTCNPAVZBYNXHD-UHFFFAOYSA-N -1 339.8 EG 3.004 0 Anodyne ref EGAARM CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)[O-])cc1 COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)c1 ZINC000000902748 63/90/59/452639059 HOPCPFHPTMJOHS-UHFFFAOYSA-N -1 337.257 EG 3.122 0 Anodyne ref EGAARM COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)c1 COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)c1 ZINC000000902758 63/99/40/452639940 XRAFVTBHXRPEMD-UHFFFAOYSA-N -1 337.257 EG 3.122 0 Anodyne ref EGAARM COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)[O-])c3n2)c1 C[C@@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)N2CCCC[C@H]2C)c1 ZINC000001438792 30/99/63/296309963 GMSYJFRTJBFUDF-HUUCEWRRSA-N 0 343.471 EG 3.298 0 Anodyne ref EGAARN C[C@@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)N2CCCC[C@H]2C)c1 C[C@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)N2CCCC[C@@H]2C)c1 ZINC000001438793 66/52/38/452665238 GMSYJFRTJBFUDF-GJZGRUSLSA-N 0 343.471 EG 3.298 0 Anodyne ref EGAARN C[C@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)N2CCCC[C@@H]2C)c1 COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O ZINC000001542890 64/96/97/522649697 JGPMMRGNQUBGND-UHFFFAOYSA-N 0 338.444 EG 3.462 1 Mild mid EGEAMN COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O world COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O ZINC000001542890 64/96/78/522649678 JGPMMRGNQUBGND-UHFFFAOYSA-N 0 338.444 EG 3.462 0 Mild ref EGEARN COC1=C(OC)C(=O)C(C)C(=CCCCCCCCCCO)C1=O world Cc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 ZINC000001576253 66/84/82/452668482 CUNVVZWSABRKAL-CYBMUJFWSA-N -1 325.43 EG 3.206 0 Anodyne ref EGAARM Cc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 ZINC000001728490 67/73/18/452677318 HRZDKTQRPPZBNW-UHFFFAOYSA-N -2 325.773 EG 3.147 3 Anodyne high EGAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 ZINC000001728490 67/73/14/452677314 HRZDKTQRPPZBNW-UHFFFAOYSA-N -1 325.773 EG 3.147 0 Anodyne ref EGAARM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 O=C(CSc1nc2ccccc2o1)Nc1cccc([N+](=O)[O-])c1 ZINC000001878416 68/17/29/452681729 QDDILBPXSUGCCA-UHFFFAOYSA-N 0 329.337 EG 3.467 0 Bother ref EGBARN O=C(CSc1nc2ccccc2o1)Nc1cccc([N+](=O)[O-])c1 Cc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 ZINC000002391031 84/59/25/209845925 CUNVVZWSABRKAL-ZDUSSCGKSA-N -1 325.43 EG 3.206 0 Anodyne ref EGAARM Cc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 COc1ccc(OC)c(NC(=O)c2c(N)sc3c2CCCC3)c1 ZINC000002505839 70/24/56/452702456 DPKARWWYQYRSHA-UHFFFAOYSA-N 0 332.425 EG 3.479 0 Anodyne ref EGAARN COc1ccc(OC)c(NC(=O)c2c(N)sc3c2CCCC3)c1 CCOC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000002534337 04/99/05/258049905 DINIIDHRTPFKLV-KOLCDFICSA-N 0 329.278 EG 3.313 0 Anodyne ref EGAARN CCOC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F C=CCn1c(S)nnc1COc1ccc(Br)cc1 ZINC000002536737 04/70/47/258047047 XBGQDDPNLHZYMR-UHFFFAOYSA-N 0 326.219 EG 3.094 0 Mild ref EGEARN C=CCN1C(=S)N=NC1COc1ccc(Br)cc1 COc1ccc(NC(=O)c2c(N)sc3c2CCCC3)c(OC)c1 ZINC000002558477 70/47/64/452704764 SQELACYAWAUTCU-UHFFFAOYSA-N 0 332.425 EG 3.479 0 Anodyne ref EGAARN COc1ccc(NC(=O)c2c(N)sc3c2CCCC3)c(OC)c1 Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000002565328 70/36/87/452703687 RQTVIKMRXYJTDX-UHFFFAOYSA-N 0 340.448 EG 3.241 0 Mild ref EGEARN Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 CCOC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002571513 70/36/14/452703614 LECMLMOJQJLXGB-UHFFFAOYSA-N 0 331.755 EG 3.073 0 Anodyne ref EGAARN CCOC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 CCOC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000002770971 72/27/47/452722747 DINIIDHRTPFKLV-MWLCHTKSSA-N 0 329.278 EG 3.313 0 Anodyne ref EGAARN CCOC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F CCOC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000002770972 72/30/91/452723091 DINIIDHRTPFKLV-ONGXEEELSA-N 0 329.278 EG 3.313 0 Anodyne ref EGAARN CCOC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F CCOC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000002770973 30/30/04/276303004 DINIIDHRTPFKLV-GXSJLCMTSA-N 0 329.278 EG 3.313 0 Anodyne ref EGAARN CCOC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F Cc1ccc(S(=O)(=O)Oc2cccc3ccc(C=O)nc23)cc1 ZINC000002896211 73/42/60/452734260 DULAWAUIEAUDLS-UHFFFAOYSA-N 0 327.361 EG 3.123 0 Anodyne ref EGAARN Cc1ccc(S(=O)(=O)Oc2cccc3ccc(C=O)nc23)cc1 O=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000002941174 73/67/59/452736759 XMGYGDOAQMLZAW-UHFFFAOYSA-N 0 330.181 EG 3.221 0 Anodyne ref EGAARN O=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 CCCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 ZINC000002944848 73/60/87/452736087 ZNAUAGCDXWZECI-UHFFFAOYSA-N -1 339.413 EG 3.25 0 Anodyne ref EGAARM CCCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1 Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(C)C)cc2)cc1 ZINC000002959960 73/56/03/452735603 KCDFUHDUHZTDKK-UHFFFAOYSA-N -1 347.436 EG 3.398 0 Anodyne ref EGAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C(C)C)cc2)cc1 O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003096469 96/16/38/209961638 YSDNWNOGHQYWPK-XXHBBNRNSA-N -1 326.179 EG 3.455 0 Anodyne ref EGAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 O=C(O)C1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000003671894 07/41/76/210074176 OJPQBEOHCXLKHL-UHFFFAOYSA-N -1 333.369 EG 3.019 0 Bother ref EGBARM O=C([O-])C1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O ZINC000003683925 07/33/77/210073377 YSDNWNOGHQYWPK-HYRRULHTSA-N -1 326.179 EG 3.455 0 Anodyne ref EGAARM O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-] NC1=N[C@@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 ZINC000004149139 13/27/05/210132705 FAMVHKXJMQXQBF-CYBMUJFWSA-N 0 342.2 EG 3.086 1 Anodyne mid EGAAMN N=C1Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2)N1 NC1=N[C@@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 ZINC000004149139 13/27/00/210132700 FAMVHKXJMQXQBF-CYBMUJFWSA-N 1 342.2 EG 3.086 0 Anodyne ref EGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2)N1