O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc(O)cc12 ZINC000000008662 11/61/27/361116127 BXPBSBBFPNTFFT-UHFFFAOYSA-N 0 286.239 CE 2.282 0 Clean ref CECARN O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc(O)cc12 in-vitro FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1 ZINC000000012103 44/78/14/394447814 RRIPRMGRQRYRRG-UHFFFAOYSA-N 0 265.666 CE 2.163 3 Anodyne high CEAAHN FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1 FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1 ZINC000000012103 44/78/13/394447813 RRIPRMGRQRYRRG-UHFFFAOYSA-N 1 265.666 CE 2.163 0 Anodyne ref CEAARO FC(F)(F)c1cnc(N2CC[NH2+]CC2)c(Cl)c1 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 ZINC000000039111 11/97/69/361119769 XHEFDIBZLJXQHF-UHFFFAOYSA-N -2 286.239 CE 2.282 3 Clean high CECAHL O=c1c(O)c(-c2ccc([O-])c(O)c2)oc2cc([O-])ccc12 aggregator biogenic in-vivo O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 ZINC000000039111 11/97/64/361119764 XHEFDIBZLJXQHF-UHFFFAOYSA-N 0 286.239 CE 2.282 2 Clean low CECALN O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 aggregator biogenic in-vivo O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 ZINC000000039111 11/97/61/361119761 XHEFDIBZLJXQHF-UHFFFAOYSA-N -1 286.239 CE 2.282 0 Clean ref CECARM O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc([O-])ccc12 aggregator biogenic in-vivo O=C(OCc1ccccc1Cl)ON1C(=O)CCC1=O ZINC000000039225 12/02/09/361120209 LVZHXYXNMHCBKC-UHFFFAOYSA-N 0 283.667 CE 2.057 0 Mild ref CEEARN O=C(OCc1ccccc1Cl)ON1C(=O)CCC1=O O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O ZINC000000047553 12/15/52/361121552 VGEREEWJJVICBM-UHFFFAOYSA-N -1 274.272 CE 2.325 3 Anodyne high CEAAHM O=C(CCc1ccc(O)cc1)c1c(O)cc([O-])cc1O in-man metabolite O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O ZINC000000047553 12/15/45/361121545 VGEREEWJJVICBM-UHFFFAOYSA-N 0 274.272 CE 2.325 0 Anodyne ref CEAARN O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O in-man metabolite Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CC(C)C)ccc12 ZINC000000056783 12/25/65/361122565 GTAAIHRZANUVJS-ZDUSSCGKSA-N 0 288.347 CE 2.413 3 Anodyne high CEAAHN Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CC(C)C)ccc12 in-vitro Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CC(C)C)ccc12 ZINC000000056783 12/25/63/361122563 GTAAIHRZANUVJS-ZDUSSCGKSA-N 1 288.347 CE 2.413 0 Anodyne ref CEAARO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CC(C)C)ccc12 in-vitro COc1ccc([C@@](O)(c2cncnc2)C2CC2)cc1 ZINC000000057201 12/24/11/361122411 HUTDUHSNJYTCAR-OAHLLOKOSA-N 0 256.305 CE 2.131 0 Anodyne ref CEAARN COc1ccc([C@@](O)(c2cncnc2)C2CC2)cc1 in-vitro COc1ccc([C@](O)(c2cncnc2)C2CC2)cc1 ZINC000000057202 12/25/08/361122508 HUTDUHSNJYTCAR-HNNXBMFYSA-N 0 256.305 CE 2.131 0 Anodyne ref CEAARN COc1ccc([C@](O)(c2cncnc2)C2CC2)cc1 in-vitro O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)C(=O)O ZINC000000057324 12/24/48/361122448 QSMRHXUZHXEHBK-VFNNOXKTSA-N -1 285.299 CE 2.105 0 Anodyne ref CEABRM O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)C(=O)[O-] O=c1c(O)c(-c2ccc(O)cc2O)oc2ccc(O)cc12 ZINC000000057756 12/26/92/361122692 DNISTMYBAOCXPD-UHFFFAOYSA-N -1 286.239 CE 2.282 3 Anodyne high CEAAHM O=c1c(O)c(-c2ccc(O)cc2[O-])oc2ccc(O)cc12 O=c1c(O)c(-c2ccc(O)cc2O)oc2ccc(O)cc12 ZINC000000057756 12/26/87/361122687 DNISTMYBAOCXPD-UHFFFAOYSA-N 0 286.239 CE 2.282 0 Anodyne ref CEAARN O=c1c(O)c(-c2ccc(O)cc2O)oc2ccc(O)cc12 O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12 ZINC000000057844 12/24/91/361122491 ARYCMKPCDNHQCL-UHFFFAOYSA-N -2 286.239 CE 2.282 3 Clean high CECAHL O=c1cc(-c2ccc([O-])c(O)c2)oc2c(O)c([O-])ccc12 in-vivo O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12 ZINC000000057844 12/24/89/361122489 ARYCMKPCDNHQCL-UHFFFAOYSA-N 0 286.239 CE 2.282 2 Clean low CECALN O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12 in-vivo O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12 ZINC000000057844 12/24/87/361122487 ARYCMKPCDNHQCL-UHFFFAOYSA-N -1 286.239 CE 2.282 0 Clean ref CECARM O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c([O-])ccc12 in-vivo O=c1c(O)c(-c2cccc(O)c2O)oc2ccc(O)cc12 ZINC000000057875 12/25/01/361122501 KQRPHHDERPYSPX-UHFFFAOYSA-N -1 286.239 CE 2.282 3 Clean high CECAHM O=c1c(O)c(-c2cccc(O)c2[O-])oc2ccc(O)cc12 O=c1c(O)c(-c2cccc(O)c2O)oc2ccc(O)cc12 ZINC000000057875 12/24/98/361122498 KQRPHHDERPYSPX-UHFFFAOYSA-N 0 286.239 CE 2.282 0 Clean ref CECARN O=c1c(O)c(-c2cccc(O)c2O)oc2ccc(O)cc12 COc1ccc2c(Cl)c([N+](=O)[O-])c(=O)oc2c1 ZINC000000057895 43/27/89/277432789 DREANCBZYHJXQP-UHFFFAOYSA-N 0 255.613 CE 2.363 0 Bother ref CEBARN COc1ccc2c(Cl)c([N+](=O)[O-])c(=O)oc2c1 Cc1cc2oc(=O)c([N+](=O)[O-])c(O)c2cc1Cl ZINC000000057900 46/43/86/301464386 ARQXTWGOJYMQRC-UHFFFAOYSA-N -1 255.613 CE 2.369 0 Bother ref CEBARM Cc1cc2oc(=O)c([N+](=O)[O-])c([O-])c2cc1Cl in-vitro biogenic O=Cc1coc2ccc(Br)cc2c1=O ZINC000000057930 12/24/56/361122456 PCEZXSJBHMOQFT-UHFFFAOYSA-N 0 253.051 CE 2.368 0 Anodyne ref CEAARN O=Cc1coc2ccc(Br)cc2c1=O O=C(O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000000057932 22/04/73/304220473 QSBZDBNPXSVVHH-UHFFFAOYSA-N -1 269.05 CE 2.254 0 Anodyne ref CEAARM O=C([O-])c1cc(=O)c2cc(Br)ccc2o1 O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000000058116 12/24/06/361122406 SBHXYTNGIZCORC-CYBMUJFWSA-N -1 288.255 CE 2.216 1 Clean mid CECAMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O)c21 in-vitro biogenic O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000000058116 12/24/04/361122404 SBHXYTNGIZCORC-CYBMUJFWSA-N 0 288.255 CE 2.216 0 Clean ref CECARN O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 in-vitro biogenic O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000000058117 12/25/84/361122584 SBHXYTNGIZCORC-ZDUSSCGKSA-N -1 288.255 CE 2.216 1 Clean mid CECAMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O)c21 world metabolite O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000000058117 12/25/82/361122582 SBHXYTNGIZCORC-ZDUSSCGKSA-N 0 288.255 CE 2.216 0 Clean ref CECARN O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 world metabolite O=C(O)/C=C/C(=O)c1ccc(Br)cc1 ZINC000000058209 52/10/55/169521055 CJNVLFPUEBQQMZ-AATRIKPKSA-N -1 255.067 CE 2.273 0 Mild ref CEEARM O=C([O-])/C=C/C(=O)c1ccc(Br)cc1 O=C(O)CCC(=O)c1ccc(Br)cc1 ZINC000000058212 12/25/96/361122596 ZODFRCZNTXLDDW-UHFFFAOYSA-N -1 257.083 CE 2.497 0 Anodyne ref CEAARM O=C([O-])CCC(=O)c1ccc(Br)cc1 O=c1ccc(-c2ccc(Br)cc2)n[nH]1 ZINC000000058220 39/46/55/280394655 SXDHLGDAZQDUBI-UHFFFAOYSA-N 0 251.083 CE 2.199 0 Anodyne ref CEAARN O=c1ccc(-c2ccc(Br)cc2)n[nH]1 O=C1CCC(c2ccc(Br)cc2)=NN1 ZINC000000058286 24/97/13/280249713 CDDNLMGOLYMTSF-UHFFFAOYSA-N 0 253.099 CE 2.063 0 Anodyne ref CEAARN O=C1CCC(c2ccc(Br)cc2)=NN1 C[C@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)O ZINC000000074332 12/39/39/361123939 NVWNMNYBXVGBEN-LURJTMIESA-N -1 250.172 CE 2.437 0 Anodyne ref CEAARM C[C@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)[O-] C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)O ZINC000000074334 12/38/05/361123805 NVWNMNYBXVGBEN-ZCFIWIBFSA-N -1 250.172 CE 2.437 0 Anodyne ref CEAARM C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)[O-] O=C(O)/C=C/C(=O)Nc1ccc(Br)cc1 ZINC000000075351 12/37/30/361123730 DSNFUZCLEZJCRN-AATRIKPKSA-N -1 270.082 CE 2.028 0 Anodyne ref CEAARM O=C([O-])/C=C/C(=O)Nc1ccc(Br)cc1 Cn1nc(C(F)(F)F)c2cc(C(=O)O)sc21 ZINC000000082896 04/34/75/303043475 YBJKAEFBOTWXOW-UHFFFAOYSA-N -1 250.201 CE 2.352 0 Anodyne ref CEAARM Cn1nc(C(F)(F)F)c2cc(C(=O)[O-])sc21 CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000000105351 89/48/58/279894858 CANZBRDGRHNSGZ-LLVKDONJSA-N -1 251.282 CE 2.022 0 Anodyne ref CEAARM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1 ZINC000000110861 13/09/17/361130917 BMZRVOVNUMQTIN-UHFFFAOYSA-N 0 254.171 CE 2.4 0 Mild ref CEEARN N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1 in-vitro N#CC(C#N)=NNc1ccccc1OC(F)(F)F ZINC000000110914 13/02/50/361130250 AROPLGGZOUWHBU-UHFFFAOYSA-N 0 254.171 CE 2.4 0 Mild ref CEEARN N#CC(C#N)=NNc1ccccc1OC(F)(F)F N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O ZINC000000133159 54/85/08/169548508 KAFHLONDOVSENM-HNNXBMFYSA-N 0 271.316 CE 2.22 0 Anodyne ref CEAARN [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] in-vitro CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000000135711 31/23/56/280312356 CANZBRDGRHNSGZ-NSHDSACASA-N -1 251.282 CE 2.022 0 Anodyne ref CEAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1 ZINC000000155181 13/72/43/361137243 SODJJEXAWOSSON-UHFFFAOYSA-N 0 274.272 CE 2.346 2 Anodyne low CEAALN COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1 in-vitro COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1 ZINC000000155181 13/72/37/361137237 SODJJEXAWOSSON-UHFFFAOYSA-N -1 274.272 CE 2.346 1 Anodyne mid CEAAMM COc1ccc(C(=O)c2ccc(OC)cc2O)c([O-])c1 in-vitro COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1 ZINC000000155181 13/72/30/361137230 SODJJEXAWOSSON-UHFFFAOYSA-N -2 274.272 CE 2.346 0 Anodyne ref CEAARL COc1ccc(C(=O)c2ccc(OC)cc2[O-])c([O-])c1 in-vitro N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000000156948 13/74/21/361137421 FPRSPUHXEPWUBZ-HNNXBMFYSA-N 1 255.317 CE 2.3 1 Anodyne mid CEAAMO [NH3+][C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000000156948 13/74/12/361137412 FPRSPUHXEPWUBZ-HNNXBMFYSA-N 0 255.317 CE 2.3 0 Anodyne ref CEAARN N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 O=C(O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000000158638 13/76/46/361137646 URTPNQRAHXRPMP-UHFFFAOYSA-N -1 263.293 CE 2.12 0 Anodyne ref CEAARM O=C([O-])C1CCN(C(=O)OCc2ccccc2)CC1 O=C(O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000000159019 13/73/10/361137310 FFLPIVZNYJKKDM-GFCCVEGCSA-N -1 263.293 CE 2.12 0 Anodyne ref CEAARM O=C([O-])[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 O=C(O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000000159020 55/77/89/169557789 FFLPIVZNYJKKDM-LBPRGKRZSA-N -1 263.293 CE 2.12 0 Anodyne ref CEAARM O=C([O-])[C@H]1CCCN(C(=O)OCc2ccccc2)C1 COc1cc(C(=O)O)cc(Br)c1OC ZINC000000163325 44/83/99/394448399 ZODURELBYVOPGP-UHFFFAOYSA-N -1 261.071 CE 2.165 0 Anodyne ref CEAARM COc1cc(C(=O)[O-])cc(Br)c1OC CCOC(=O)c1nocc1C(=O)c1ccc(F)cc1 ZINC000000169013 13/92/11/361139211 FOFGUQZRRHLZGS-UHFFFAOYSA-N 0 263.224 CE 2.221 0 Anodyne ref CEAARN CCOC(=O)c1nocc1C(=O)c1ccc(F)cc1 Cn1c(CO)cnc1SCc1ccc(F)cc1 ZINC000000169037 13/88/62/361138862 CBFLNDHQJUDXSL-UHFFFAOYSA-N 0 252.314 CE 2.344 0 Anodyne ref CEAARN Cn1c(CO)cnc1SCc1ccc(F)cc1 CCOC(=O)c1nocc1C(=O)c1ccccc1F ZINC000000169438 13/92/01/361139201 UQFCIGFWPHFWOC-UHFFFAOYSA-N 0 263.224 CE 2.221 0 Anodyne ref CEAARN CCOC(=O)c1nocc1C(=O)c1ccccc1F CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1F ZINC000000169479 13/83/95/361138395 DOQGPYOVINIOME-NSHDSACASA-N 0 277.295 CE 2.266 0 Anodyne ref CEAARN CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1F CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1F ZINC000000169481 56/22/05/169562205 DOQGPYOVINIOME-LLVKDONJSA-N 0 277.295 CE 2.266 0 Anodyne ref CEAARN CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1F CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1Cl ZINC000000170196 14/02/21/361140221 LPEWVPRXMRTICZ-UHFFFAOYSA-N 0 296.685 CE 2.202 0 Anodyne ref CEAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1Cl NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000000218234 14/79/18/361147918 HHBOFAIEPRHUSR-HNNXBMFYSA-N 0 298.342 CE 2.009 0 Anodyne ref CEAARN NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 O=C(O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000000317836 17/48/68/304174868 LCRHVZDPBWDWSX-ZETCQYMHSA-N -1 273.21 CE 2.143 0 Anodyne ref CEAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 O=C(O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000000317837 09/79/45/304097945 LCRHVZDPBWDWSX-SSDOTTSWSA-N -1 273.21 CE 2.143 0 Anodyne ref CEAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 O=S(=O)(c1ccccc1)n1ccc2cccnc21 ZINC000000386997 62/63/83/169626383 KEPQQULYWDIKEK-UHFFFAOYSA-N 0 258.302 CE 2.273 0 Anodyne ref CEAARN O=S(=O)(c1ccccc1)n1ccc2cccnc21 N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000000391855 16/93/69/361169369 FPRSPUHXEPWUBZ-OAHLLOKOSA-N 1 255.317 CE 2.3 1 Anodyne mid CEAAMO [NH3+][C@H](Cc1ccccc1)C(=O)OCc1ccccc1 N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000000391855 16/93/64/361169364 FPRSPUHXEPWUBZ-OAHLLOKOSA-N 0 255.317 CE 2.3 0 Anodyne ref CEAARN N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 CC(C)(C)OC(=O)NCc1ccc(C(=O)O)cc1 ZINC000000392932 16/90/66/361169066 LNKHBRDWRIIROP-UHFFFAOYSA-N -1 251.282 CE 2.41 0 Anodyne ref CEAARM CC(C)(C)OC(=O)NCc1ccc(C(=O)[O-])cc1 O=C(O)c1ccc(C(=O)c2ccccc2C(=O)O)cc1 ZINC000000394370 16/90/35/361169035 RWHRIIMYBNGFEV-UHFFFAOYSA-N -2 270.24 CE 2.314 0 Anodyne ref CEAARL O=C([O-])c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1 Nc1cc(Br)cc(Br)c1N ZINC000000401337 34/77/67/295347767 BABDSAMUOCWCNS-UHFFFAOYSA-N 0 265.936 CE 2.376 0 Anodyne ref CEAARN Nc1cc(Br)cc(Br)c1N O=C1/C(=C\c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000000897734 19/50/89/361195089 RGNXWPVNPFAADO-MKMNVTDBSA-N -1 270.24 CE 2.42 1 Mild mid CEEBMM O=C1/C(=C\c2ccc(O)c(O)c2)Oc2cc([O-])ccc21 in-vitro biogenic O=C1/C(=C\c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000000897734 19/50/88/361195088 RGNXWPVNPFAADO-MKMNVTDBSA-N 0 270.24 CE 2.42 0 Mild ref CEEBRN O=C1/C(=C\c2ccc(O)c(O)c2)Oc2cc(O)ccc21 in-vitro biogenic NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000001035087 28/81/09/295288109 ZKBZHFCXIXOBTJ-UHFFFAOYSA-N 0 259.636 CE 2.006 0 Anodyne ref CEAARN NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl CC(C)n1c(=O)c(=O)[nH]c2cc(C(F)(F)F)ccc21 ZINC000001495927 70/98/74/169709874 MHFXSTVJEBLJNZ-UHFFFAOYSA-N 0 272.226 CE 2.29 0 Anodyne ref CEAARN CC(C)n1c(=O)c(=O)[nH]c2cc(C(F)(F)F)ccc21 CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)O ZINC000001576310 20/87/53/361208753 DMBKPDOAQVGTST-GFCCVEGCSA-N -1 295.335 CE 2.181 0 Anodyne ref CEAARM CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)[O-] COc1cc(C=O)c(Br)cc1OC(C)=O ZINC000001621454 21/24/41/361212441 XDMGEKUQVOHMGM-UHFFFAOYSA-N 0 273.082 CE 2.196 0 Anodyne ref CEAARN COc1cc(C=O)c(Br)cc1OC(C)=O C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000001634822 21/39/88/361213988 LKRXXARJBFBMCE-IUCAKERBSA-N -1 275.345 CE 2.168 0 Anodyne ref CEABRM C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000001638000 21/39/21/361213921 NSJDRLWFFAWSFP-NSHDSACASA-N -1 251.282 CE 2.166 0 Anodyne ref CEAARM CCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000001675889 21/59/09/361215909 FPKHNNQXKZMOJJ-NSHDSACASA-N -1 283.349 CE 2.119 0 Anodyne ref CEAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000001689959 21/72/13/361217213 USPFMEKVPDBMCG-LBPRGKRZSA-N -1 265.309 CE 2.412 0 Anodyne ref CEAARM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O ZINC000001703144 74/58/89/169745889 ZYJPUMXJBDHSIF-NSHDSACASA-N -1 265.309 CE 2.207 0 Anodyne ref CEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] in-vitro CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000002022619 22/60/35/361226035 FPKHNNQXKZMOJJ-LLVKDONJSA-N -1 283.349 CE 2.119 0 Anodyne ref CEAARM CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] O=C(O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000002146859 23/99/22/304239922 LFEWXDOYPCWFHR-UHFFFAOYSA-N -2 270.24 CE 2.314 0 Anodyne ref CEAARL O=C([O-])c1ccc(C(=O)c2ccc(C(=O)[O-])cc2)cc1 CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000002163699 22/92/15/361229215 NSJDRLWFFAWSFP-LLVKDONJSA-N -1 251.282 CE 2.166 0 Anodyne ref CEAARM CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] CCN(CCCS(=O)(=O)O)c1cccc(C)c1 ZINC000002168676 92/25/09/284922509 IBSUMVZKDLDAEK-UHFFFAOYSA-N -1 257.355 CE 2.099 0 Anodyne ref CEAARM CCN(CCCS(=O)(=O)[O-])c1cccc(C)c1 in-vitro CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O ZINC000002169836 22/94/24/361229424 ZYJPUMXJBDHSIF-LLVKDONJSA-N -1 265.309 CE 2.207 0 Anodyne ref CEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] in-vitro O=C(O)Cc1c(F)cc(Br)c(F)c1F ZINC000002243332 08/80/72/304088072 PYGHAKCYVDCEAK-UHFFFAOYSA-N -1 269.016 CE 2.494 0 Anodyne ref CEAARM O=C([O-])Cc1c(F)cc(Br)c(F)c1F CC(C)(O)C#C[C@](O)(c1ccccc1)C(F)(F)F ZINC000002379318 31/03/18/277310318 UUTIRLQVEFFRKS-LBPRGKRZSA-N 0 258.239 CE 2.211 0 Mild ref CEEBRN CC(C)(O)C#C[C@](O)(c1ccccc1)C(F)(F)F CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000002382396 23/25/09/361232509 IKTMMIOBUXJEOM-UHFFFAOYSA-N 0 253.245 CE 2.412 0 Anodyne ref CEAARN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000002517036 23/81/64/361238164 LKRXXARJBFBMCE-BDAKNGLRSA-N -1 275.345 CE 2.168 0 Anodyne ref CEAARM C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] OC/C=C/[C@](F)(Cl)C(F)(F)Br ZINC000002526359 80/25/97/169802597 BNTVUYYZZUWBDD-ROFOPDMZSA-N 0 253.445 CE 2.427 0 Anodyne ref CEAARN OC/C=C/[C@](F)(Cl)C(F)(F)Br CC(=O)N[C@@H](C)C(=O)Oc1cccc2ccccc12 ZINC000002528218 80/32/83/169803283 QLHFGNPCPMZWQU-JTQLQIEISA-N 0 257.289 CE 2.27 0 Anodyne ref CEAARN CC(=O)N[C@@H](C)C(=O)Oc1cccc2ccccc12 O=C(n1c(=O)oc2ccccc21)n1c(=O)oc2ccccc21 ZINC000002529833 23/80/21/361238021 WWKFMBXEBWUVSK-UHFFFAOYSA-N 0 296.238 CE 2.019 0 Anodyne ref CEAARN O=C(n1c(=O)oc2ccccc21)n1c(=O)oc2ccccc21 O=C(O)CCC(F)(F)C(F)(F)Br ZINC000002530668 23/79/57/361237957 OIIFPRVLJLLMOZ-UHFFFAOYSA-N -1 252.989 CE 2.474 0 Anodyne ref CEAARM O=C([O-])CCC(F)(F)C(F)(F)Br COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 ZINC000002539214 23/93/10/361239310 SLWWWZWJISHVOU-LBPRGKRZSA-N -1 295.335 CE 2.216 0 Anodyne ref CEAARM COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 COc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 ZINC000002539215 23/98/15/361239815 SLWWWZWJISHVOU-GFCCVEGCSA-N -1 295.335 CE 2.216 0 Anodyne ref CEAARM COc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O ZINC000002539573 23/96/24/361239624 DMBKPDOAQVGTST-LBPRGKRZSA-N -1 295.335 CE 2.181 0 Anodyne ref CEAARM CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)[O-] CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)C(=O)O ZINC000002554992 24/08/44/361240844 OGARKMDCQCLMCS-QMMMGPOBSA-N -1 277.386 CE 2.496 0 Anodyne ref CEAARM CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-] CC(C)(C)OC(=O)N[C@H](CO)Cc1ccccc1 ZINC000002555041 80/79/56/169807956 LDKDMDVMMCXTMO-LBPRGKRZSA-N 0 251.326 CE 2.115 0 Anodyne ref CEAARN CC(C)(C)OC(=O)N[C@H](CO)Cc1ccccc1 in-vitro COC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000002555042 24/02/03/361240203 SDSWSVBXRBXPRL-LBPRGKRZSA-N 0 279.336 CE 2.295 0 Anodyne ref CEAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C ZINC000002556722 24/05/25/361240525 NQIFXJSLCUJHBB-LBPRGKRZSA-N 0 295.335 CE 2.001 0 Anodyne ref CEAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000002558962 24/03/85/361240385 LDKDMDVMMCXTMO-GFCCVEGCSA-N 0 251.326 CE 2.115 0 Anodyne ref CEAARN CC(C)(C)OC(=O)N[C@@H](CO)Cc1ccccc1 in-vitro CC(C)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000002562515 24/09/84/361240984 JJPXNZZCOCUYDQ-NSHDSACASA-N 0 288.388 CE 2.133 0 Anodyne ref CEAARN CC(C)[NH2+]CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] O=Cc1cc(O)c(O)c(Br)c1Br ZINC000002566023 24/08/13/361240813 NPHFSCNBXDSJAS-UHFFFAOYSA-N -1 295.914 CE 2.435 0 Clean ref CECBRM O=Cc1cc(O)c([O-])c(Br)c1Br