COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc12 ZINC000000037448 88/48/11/277884811 IORSFYVMBCAERZ-UHFFFAOYSA-N 0 340.404 EE 2.447 0 Clean ref EECARN COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc12 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000000046845 38/92/19/209389219 TWLYIZGNXNNFJG-ZDUSSCGKSA-N 0 338.747 EE 2.26 0 Anodyne ref EEAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Cl)OCO2 CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000000046846 54/07/04/462540704 TWLYIZGNXNNFJG-CYBMUJFWSA-N 0 338.747 EE 2.26 0 Anodyne ref EEAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Cl)OCO2 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)o1 ZINC000000046847 42/66/63/201426663 FIVGXNBXIXFTFJ-JTQLQIEISA-N 0 329.15 EE 2.233 0 Anodyne ref EEAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)o1 CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)o1 ZINC000000046848 42/70/63/201427063 FIVGXNBXIXFTFJ-SNVBAGLBSA-N 0 329.15 EE 2.233 0 Anodyne ref EEAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)o1 O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)N1 ZINC000000072298 54/14/40/462541440 FCZJIYUPTZZBCI-NTEUORMPSA-N -1 338.319 EE 2.144 1 Anodyne mid EEAAMM O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)N1 O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)N1 ZINC000000072298 54/14/37/462541437 FCZJIYUPTZZBCI-NTEUORMPSA-N -2 338.319 EE 2.144 0 Anodyne ref EEAARL O=C1[N-]C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)N1 CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OC ZINC000000073145 54/11/94/462541194 BPHGEPHHQVQROL-RUDMXATFSA-N 0 341.161 EE 2.037 1 Anodyne mid EEAAMN CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OC CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OC ZINC000000073145 54/11/87/462541187 BPHGEPHHQVQROL-RUDMXATFSA-N -1 341.161 EE 2.037 0 Anodyne ref EEAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)cc1OC O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)N1 ZINC000000073257 54/11/27/462541127 KTGZGMXRDJXCKX-OQLLNIDSSA-N -1 338.319 EE 2.144 1 Anodyne mid EEAAMM O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)N1 O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)N1 ZINC000000073257 54/11/23/462541123 KTGZGMXRDJXCKX-OQLLNIDSSA-N -2 338.319 EE 2.144 0 Anodyne ref EEAARL O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)N1 COc1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c(OC)c1 ZINC000000086486 54/19/74/462541974 YEQKASPQMQZNFI-VCHYOVAHSA-N 0 340.387 EE 2.288 0 Mild ref EEEARN COc1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c(OC)c1 CCOc1cccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1O ZINC000000086504 41/13/86/209411386 WCCPHRRPXXXUIR-VCHYOVAHSA-N 0 340.387 EE 2.376 0 Mild ref EEEARN CCOc1cccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1O CCOc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)ccc1O ZINC000000086526 54/19/17/462541917 NEDQOMVTOBPYGF-VCHYOVAHSA-N 0 340.387 EE 2.376 0 Mild ref EEEARN CCOc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)ccc1O CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N=C2O)cc1 ZINC000000104950 54/24/20/462542420 ILMKKTCYRKYJDK-UHFFFAOYSA-N -1 340.408 EE 2.298 3 Clean high EECAHM CN(C)c1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)NC2=O)cc1 CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N=C2O)cc1 ZINC000000104950 54/24/17/462542417 ILMKKTCYRKYJDK-UHFFFAOYSA-N 1 340.408 EE 2.298 2 Clean low EECALO C[NH+](C)c1ccc(-n2cccc2C=C2C(=O)NC(=S)NC2=O)cc1 CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N=C2O)cc1 ZINC000000104950 54/24/16/462542416 ILMKKTCYRKYJDK-UHFFFAOYSA-N -1 340.408 EE 2.298 1 Clean mid EECAMM CN(C)c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=S)NC2=O)cc1 CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N=C2O)cc1 ZINC000000104950 54/24/14/462542414 ILMKKTCYRKYJDK-UHFFFAOYSA-N -1 340.408 EE 2.298 1 Clean mid EECAMM CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)NC2=O)cc1 CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N=C2O)cc1 ZINC000000104950 54/24/11/462542411 ILMKKTCYRKYJDK-UHFFFAOYSA-N 0 340.408 EE 2.298 0 Clean ref EECARN CN(C)c1ccc(-n2cccc2C=C2C(=O)NC(=S)NC2=O)cc1 CN1C(=O)C(=Cc2ccc(Br)s2)C(=O)N(C)C1=S ZINC000000105183 00/60/48/277006048 QNYMXLKBVRGOJD-UHFFFAOYSA-N 0 345.243 EE 2.109 0 Clean ref EECARN CN1C(=O)C(=Cc2ccc(Br)s2)C(=O)N(C)C1=S CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(OCC)c1 ZINC000000105312 42/31/88/209423188 WQATYLDOFDXNSB-UHFFFAOYSA-N 0 348.424 EE 2.083 0 Clean ref EECARN CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(OCC)c1 COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)o3)C2=O)cc1 ZINC000000114632 54/32/17/462543217 REBVYLUIZDKFRR-ZROIWOOFSA-N 0 326.308 EE 2.263 2 Clean low EECALN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)o3)C2=O)cc1 COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)o3)C2=O)cc1 ZINC000000114632 54/32/14/462543214 REBVYLUIZDKFRR-ZROIWOOFSA-N -1 326.308 EE 2.263 0 Clean ref EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1 CCCN(CCC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000000176417 54/55/54/462545554 LSAZZOLMIJDNNV-UHFFFAOYSA-N -1 331.441 EE 2.227 1 Clean mid EECAMM CCCN(CCC)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1 CCCN(CCC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000000176417 54/55/49/462545549 LSAZZOLMIJDNNV-UHFFFAOYSA-N 0 331.441 EE 2.227 0 Clean ref EECARN CCCN(CCC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)c(OCC)c1 ZINC000000190290 44/66/67/201446667 LBCKWIDHLOFIAS-AWEZNQCLSA-N 0 336.413 EE 2.147 0 Anodyne ref EEAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(O)c(OCC)c1 CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)c(OCC)c1 ZINC000000190294 54/70/06/462547006 LBCKWIDHLOFIAS-CQSZACIVSA-N 0 336.413 EE 2.147 0 Anodyne ref EEAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(O)c(OCC)c1 COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000195258 54/70/21/462547021 QKLPQFVOTXJVFB-GFCCVEGCSA-N -1 340.763 EE 2.197 3 Anodyne high EEAAHM COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000195258 54/70/19/462547019 QKLPQFVOTXJVFB-GFCCVEGCSA-N 0 340.763 EE 2.197 0 Anodyne ref EEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000195259 54/70/11/462547011 QKLPQFVOTXJVFB-LBPRGKRZSA-N -1 340.763 EE 2.197 3 Anodyne high EEAAHM COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000195259 54/70/08/462547008 QKLPQFVOTXJVFB-LBPRGKRZSA-N 0 340.763 EE 2.197 0 Anodyne ref EEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 CN(C)c1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000000199570 54/76/04/462547604 SFKFPLPBBNOSPV-FOWTUZBSSA-N 0 348.431 EE 2.432 0 Clean ref EECARN CN(C)c1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1 CC[C@@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000000303067 55/41/07/462554107 SDKCVGAEODGAEO-LLVKDONJSA-N 0 332.425 EE 2.463 0 Clean ref EECARN CC[C@@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 CC[C@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000000303069 55/38/34/462553834 SDKCVGAEODGAEO-NSHDSACASA-N 0 332.425 EE 2.463 0 Clean ref EECARN CC[C@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccs1 ZINC000000308808 55/35/74/462553574 KJZKBSOEYAJTRZ-XFFZJAGNSA-N 0 342.332 EE 2.143 2 Clean low EECALN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccs1 O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccs1 ZINC000000308808 55/35/70/462553570 KJZKBSOEYAJTRZ-XFFZJAGNSA-N -1 342.332 EE 2.143 0 Clean ref EECARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccs1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1Cl ZINC000000311325 53/07/87/209530787 GUWGBLXBTRQUPD-CYBMUJFWSA-N 0 340.763 EE 2.158 0 Anodyne ref EEAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1Cl COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1Cl ZINC000000311327 53/04/28/209530428 GUWGBLXBTRQUPD-ZDUSSCGKSA-N 0 340.763 EE 2.158 0 Anodyne ref EEAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1Cl O=C1NC(=O)/C(=C\c2cccn2-c2cccc(Br)c2)N1 ZINC000000313265 55/45/58/462554558 QSFWNEJNFPYZNR-XYOKQWHBSA-N 0 332.157 EE 2.42 1 Anodyne mid EEAAMN O=C1NC(=O)/C(=C\c2cccn2-c2cccc(Br)c2)N1 O=C1NC(=O)/C(=C\c2cccn2-c2cccc(Br)c2)N1 ZINC000000313265 55/45/50/462554550 QSFWNEJNFPYZNR-XYOKQWHBSA-N -1 332.157 EE 2.42 0 Anodyne ref EEAARM O=C1[N-]C(=O)/C(=C\c2cccn2-c2cccc(Br)c2)N1 Cc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C ZINC000000313299 55/44/51/462554451 MFZOOFFPRFYFGX-UHFFFAOYSA-N -1 339.42 EE 2.317 1 Clean mid EECAMM Cc1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)NC2=O)c1C Cc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C ZINC000000313299 55/44/44/462554444 MFZOOFFPRFYFGX-UHFFFAOYSA-N 0 339.42 EE 2.317 0 Clean ref EECARN Cc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000000313465 55/47/58/462554758 RXWZZOBEPWNNMR-MRVPVSSYSA-N -1 338.816 EE 2.432 1 Clean mid EECAMM CC[C@@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000000313465 55/47/54/462554754 RXWZZOBEPWNNMR-MRVPVSSYSA-N 0 338.816 EE 2.432 0 Clean ref EECARN CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000000313466 55/44/85/462554485 RXWZZOBEPWNNMR-QMMMGPOBSA-N -1 338.816 EE 2.432 1 Clean mid EECAMM CC[C@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000000313466 55/44/81/462554481 RXWZZOBEPWNNMR-QMMMGPOBSA-N 0 338.816 EE 2.432 0 Clean ref EECARN CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl CCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O ZINC000000342537 54/24/77/209542477 KDNBFZLUHFZDKY-UHFFFAOYSA-N -1 326.377 EE 2.153 1 Clean mid EECAMM CCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)NC1=O CCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O ZINC000000342537 54/24/74/209542474 KDNBFZLUHFZDKY-UHFFFAOYSA-N 0 326.377 EE 2.153 0 Clean ref EECARN CCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000000365689 55/72/85/462557285 VDLPVFYMAMSYPV-CYBMUJFWSA-N 0 338.747 EE 2.212 0 Anodyne ref EEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1Cl)OCO2 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000000365690 55/70/25/462557025 VDLPVFYMAMSYPV-ZDUSSCGKSA-N 0 338.747 EE 2.212 0 Anodyne ref EEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1Cl)OCO2 CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)ccc1OC ZINC000000365713 55/37/37/209553737 KDUMNKAVQYFEBF-HNNXBMFYSA-N 0 334.372 EE 2.237 0 Anodyne ref EEAARN CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)ccc1OC CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)ccc1OC ZINC000000365714 55/31/45/209553145 KDUMNKAVQYFEBF-OAHLLOKOSA-N 0 334.372 EE 2.237 0 Anodyne ref EEAARN CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)ccc1OC N#Cc1ccccc1COc1ccc(/C=C2/NC(=S)NC2=O)cc1 ZINC000000378300 55/70/84/462557084 SXECLVTZQWRRGS-CXUHLZMHSA-N -1 335.388 EE 2.482 1 Mild mid EEEAMM N#Cc1ccccc1COc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1 N#Cc1ccccc1COc1ccc(/C=C2/NC(=S)NC2=O)cc1 ZINC000000378300 55/70/80/462557080 SXECLVTZQWRRGS-CXUHLZMHSA-N 0 335.388 EE 2.482 0 Mild ref EEEARN N#Cc1ccccc1COc1ccc(/C=C2/NC(=S)NC2=O)cc1 CCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 ZINC000000382090 55/81/12/462558112 FWHCYZFGEPQBOF-UHFFFAOYSA-N 0 327.409 EE 2.26 0 Clean ref EECARN CCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 CCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 ZINC000000412546 55/91/73/462559173 HWYVWMYVBGMPQP-UHFFFAOYSA-N 0 331.445 EE 2.465 0 Anodyne ref EEAARN CCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 Cc1ccc(-n2nnnc2SCC(=O)N2CCCCC2)cc1C ZINC000000414186 46/94/22/201469422 MHRKIGCVGIVURU-UHFFFAOYSA-N 0 331.445 EE 2.384 0 Anodyne ref EEAARN Cc1ccc(-n2nnnc2SCC(=O)N2CCCCC2)cc1C CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)cc1 ZINC000000447491 56/37/66/462563766 FVZWGZOXCZCEQM-VXLYETTFSA-N 0 344.44 EE 2.438 0 Mild ref EEEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)cc1 Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1C ZINC000000450038 56/39/55/462563955 PNGOFILDYLHBND-NVNXTCNLSA-N 0 341.342 EE 2.447 2 Clean low EECALN Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1C Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1C ZINC000000450038 56/39/50/462563950 PNGOFILDYLHBND-NVNXTCNLSA-N -1 341.342 EE 2.447 0 Clean ref EECARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1C Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc(F)c1 ZINC000000450895 56/36/71/462563671 ZTRPANYHFJJHPW-UHFFFAOYSA-N -1 343.383 EE 2.148 1 Clean mid EECAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc(F)c1 Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc(F)c1 ZINC000000450895 56/36/64/462563664 ZTRPANYHFJJHPW-UHFFFAOYSA-N 0 343.383 EE 2.148 0 Clean ref EECARN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc(F)c1 CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCC ZINC000000450898 56/39/83/462563983 OBNBTIICKKUTFN-UHFFFAOYSA-N 0 348.424 EE 2.083 0 Clean ref EECARN CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCC CN1C(=O)C(=Cc2ccc(N3CCCCCC3)o2)C(=O)N(C)C1=S ZINC000000450955 00/62/28/277006228 VTBXTOVUJVGTSP-UHFFFAOYSA-N 0 347.44 EE 2.259 0 Clean ref EECARN CN1C(=O)C(=Cc2ccc(N3CCCCCC3)o2)C(=O)N(C)C1=S CC1CCN([C@]2(O)C(=O)Nc3ccc(Br)cc32)CC1 ZINC000000451697 83/83/90/281838390 BZHRVIKIKHFHDG-CQSZACIVSA-N 0 325.206 EE 2.278 0 Anodyne ref EEAARN CC1CCN([C@]2(O)C(=O)Nc3ccc(Br)cc32)CC1 CC1CCN([C@@]2(O)C(=O)Nc3ccc(Br)cc32)CC1 ZINC000000451698 83/59/21/281835921 BZHRVIKIKHFHDG-AWEZNQCLSA-N 0 325.206 EE 2.278 0 Anodyne ref EEAARN CC1CCN([C@@]2(O)C(=O)Nc3ccc(Br)cc32)CC1 COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Br)o1 ZINC000000451706 56/39/15/462563915 VWDCPJQWSRMBTA-SNVBAGLBSA-N 0 329.15 EE 2.185 0 Anodyne ref EEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Br)o1 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(OC)c1O ZINC000000451791 56/38/44/462563844 JVBGPWAGGYAUMW-LBPRGKRZSA-N 0 340.763 EE 2.245 0 Clean ref EECARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(OC)c1O CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1O ZINC000000451792 56/34/07/462563407 JVBGPWAGGYAUMW-GFCCVEGCSA-N 0 340.763 EE 2.245 0 Clean ref EECARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1O CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1 ZINC000000455115 56/50/64/462565064 BDWKDSRJYBXASH-UHFFFAOYSA-N -1 340.36 EE 2.063 1 Clean mid EECAMM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)cc1 CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1 ZINC000000455115 56/50/57/462565057 BDWKDSRJYBXASH-UHFFFAOYSA-N 0 340.36 EE 2.063 0 Clean ref EECARN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)s1 ZINC000000457896 56/42/50/462564250 JSFWSXVGEMEJNX-SECBINFHSA-N 0 331.191 EE 2.311 0 Anodyne ref EEAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)s1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)s1 ZINC000000457897 61/24/60/209612460 JSFWSXVGEMEJNX-VIFPVBQESA-N 0 331.191 EE 2.311 0 Anodyne ref EEAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)s1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1OC ZINC000000458311 56/51/06/462565106 SHWAHFRYRGMLIB-GFCCVEGCSA-N 0 340.763 EE 2.158 0 Anodyne ref EEAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1OC COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(OC)c1OC ZINC000000458312 56/49/42/462564942 SHWAHFRYRGMLIB-LBPRGKRZSA-N 0 340.763 EE 2.158 0 Anodyne ref EEAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(OC)c1OC CCOc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)c1OC ZINC000000460698 56/47/12/462564712 DCSBAWUMSCCSNL-ZDUSSCGKSA-N 0 336.413 EE 2.06 0 Anodyne ref EEAARN CCOc1cccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)c1OC CCOc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)c1OC ZINC000000460699 57/51/60/286575160 DCSBAWUMSCCSNL-CYBMUJFWSA-N 0 336.413 EE 2.06 0 Anodyne ref EEAARN CCOc1cccc([C@H]2NC(=S)N=C(C)C2C(=O)OC)c1OC COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000460910 56/47/07/462564707 YRQCCWPCASPLGQ-LLVKDONJSA-N -1 342.804 EE 2.02 3 Anodyne high EEAAHM COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000460910 56/46/99/462564699 YRQCCWPCASPLGQ-LLVKDONJSA-N 0 342.804 EE 2.02 0 Anodyne ref EEAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000460911 56/50/72/462565072 YRQCCWPCASPLGQ-NSHDSACASA-N -1 342.804 EE 2.02 3 Anodyne high EEAAHM COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000460911 56/50/67/462565067 YRQCCWPCASPLGQ-NSHDSACASA-N 0 342.804 EE 2.02 0 Anodyne ref EEAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC ZINC000000461207 61/58/35/209615835 MVQMMSBANOYEFI-AWEZNQCLSA-N 0 336.413 EE 2.06 0 Anodyne ref EEAARN CCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OC CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC ZINC000000461209 56/50/86/462565086 MVQMMSBANOYEFI-CQSZACIVSA-N 0 336.413 EE 2.06 0 Anodyne ref EEAARN CCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OC CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)cc1Cl ZINC000000461882 56/42/37/462564237 KICIPPDFBLLRNK-ZDUSSCGKSA-N 0 340.763 EE 2.245 0 Anodyne ref EEAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)cc1Cl CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)cc1Cl ZINC000000461883 61/57/21/209615721 KICIPPDFBLLRNK-CYBMUJFWSA-N 0 340.763 EE 2.245 0 Anodyne ref EEAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)cc1Cl CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000000462142 56/42/70/462564270 FOESQICWQOENEI-LBPRGKRZSA-N 0 339.735 EE 2.439 0 Bother ref EEBARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1Cl CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000000462143 61/51/51/209615151 FOESQICWQOENEI-GFCCVEGCSA-N 0 339.735 EE 2.439 0 Bother ref EEBARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1Cl COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000466803 56/44/45/462564445 RHHDLHUBRWASJA-GFCCVEGCSA-N 0 339.735 EE 2.391 0 Bother ref EEBARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000466804 61/81/77/209618177 RHHDLHUBRWASJA-LBPRGKRZSA-N 0 339.735 EE 2.391 0 Bother ref EEBARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 CCN1C(=O)N/C(=C/c2ccc(I)cc2)C1=O ZINC000000561178 24/94/68/279249468 VZXKAXJWMPCFDA-JXMROGBWSA-N 0 342.136 EE 2.204 0 Anodyne ref EEAARN CCN1C(=O)N/C(=C/c2ccc(I)cc2)C1=O CN1C(=O)C(=Cc2cccn2-c2ccccc2)C(=O)N(C)C1=S ZINC000000564272 57/02/71/462570271 HQOXSOYHKFWHQF-UHFFFAOYSA-N 0 325.393 EE 2.076 0 Clean ref EECARN CN1C(=O)C(=Cc2cccn2-c2ccccc2)C(=O)N(C)C1=S Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(N)=S)c1C ZINC000000564321 48/74/63/201487463 XKXOUJXXUOOELY-QGMBQPNBSA-N -1 330.413 EE 2.268 0 Mild ref EEEARM Cc1cc(C(=O)[O-])ccc1-n1c(C)cc(/C=N/NC(N)=S)c1C O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1O ZINC000000566124 57/15/59/462571559 DBNPCRVCBZDOCV-PKNBQFBNSA-N 0 342.351 EE 2.363 1 Clean mid EECAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1O O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1O ZINC000000566124 57/15/54/462571554 DBNPCRVCBZDOCV-PKNBQFBNSA-N -1 342.351 EE 2.363 0 Clean ref EECARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1O N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccco1 ZINC000000567478 01/83/51/264018351 JYRMOQGWJSPZQH-FOWTUZBSSA-N 0 337.379 EE 2.34 0 Reactive ref EEGARN N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccco1 CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC ZINC000000573029 57/10/19/462571019 DSNHFSNJHQLOQO-ZDIKFAODSA-N -1 348.424 EE 2.129 1 Clean mid EECAMM CC[C@@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC ZINC000000573029 57/10/13/462571013 DSNHFSNJHQLOQO-ZDIKFAODSA-N 0 348.424 EE 2.129 0 Clean ref EECARN CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC ZINC000000573031 57/12/52/462571252 DSNHFSNJHQLOQO-MJWAUXSNSA-N -1 348.424 EE 2.129 1 Clean mid EECAMM CC[C@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC ZINC000000573031 57/12/47/462571247 DSNHFSNJHQLOQO-MJWAUXSNSA-N 0 348.424 EE 2.129 0 Clean ref EECARN CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC Cc1cc(N2CCCC2)ccc1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000000573797 57/11/96/462571196 JVEFSOROWYYGBN-UHFFFAOYSA-N 0 343.452 EE 2.194 0 Clean ref EECARN Cc1cc(N2CCCC2)ccc1C=C1C(=O)N(C)C(=S)N(C)C1=O