COc1ccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000000641934 25/58/26/210255826 VBFNATXUNJVUKI-UHFFFAOYSA-N 0 355.419 FE 2.085 0 Clean ref FECARN COc1ccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 CN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)C(=O)N(C)C1=S ZINC000000642036 14/12/39/263141239 GZSDSAJHSDVULV-UHFFFAOYSA-N 0 351.387 FE 2.417 0 Mild ref FEEARN CN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)C(=O)N(C)C1=S COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br ZINC000000655850 25/78/56/210257856 UQMHCBPPCYAGHW-UHFFFAOYSA-N 0 369.24 FE 2.056 0 Clean ref FECARN COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1 ZINC000000655853 25/80/68/210258068 VMDWTOJAMABKFX-UHFFFAOYSA-N 0 361.467 FE 2.14 0 Clean ref FECARN CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1 COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1 ZINC000000660680 33/24/76/539332476 BWXDHTMRNABGOU-OQLLNIDSSA-N -1 355.419 FE 2.226 1 Clean mid FECAMM COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=S)[N-]C3=O)c2C)cc1 COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1 ZINC000000660680 33/24/73/539332473 BWXDHTMRNABGOU-OQLLNIDSSA-N 0 355.419 FE 2.226 0 Clean ref FECARN COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1 COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C(=O)O)cc1 ZINC000000666761 14/13/18/263141318 PKKDBCICIKRBEN-ZVBGSRNCSA-N -1 352.35 FE 2.446 0 Mild ref FEEARM COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C(=O)[O-])cc1 CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000669271 33/22/37/539332237 FNCQSRGQAFCEDD-LBPRGKRZSA-N -1 356.831 FE 2.41 3 Anodyne high FEAAHM CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000669271 33/22/30/539332230 FNCQSRGQAFCEDD-LBPRGKRZSA-N 0 356.831 FE 2.41 0 Anodyne ref FEAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000669274 31/14/46/219311446 FNCQSRGQAFCEDD-GFCCVEGCSA-N -1 356.831 FE 2.41 3 Anodyne high FEAAHM CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000669274 31/14/44/219311444 FNCQSRGQAFCEDD-GFCCVEGCSA-N 0 356.831 FE 2.41 0 Anodyne ref FEAARN CCOC(=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]1c1ccc(O)c(Br)c1 ZINC000000683640 31/31/06/219313106 MAOMEHWOYICULF-LLVKDONJSA-N -1 357.229 FE 2.12 3 Anodyne high FEAAHM COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc([O-])c(Br)c1 COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)c(Br)c1 ZINC000000683640 31/31/01/219313101 MAOMEHWOYICULF-LLVKDONJSA-N 0 357.229 FE 2.12 0 Anodyne ref FEAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(O)c(Br)c1 COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)c(Br)c1 ZINC000000683641 33/25/16/539332516 MAOMEHWOYICULF-NSHDSACASA-N -1 357.229 FE 2.12 3 Anodyne high FEAAHM COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([O-])c(Br)c1 COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)c(Br)c1 ZINC000000683641 33/25/14/539332514 MAOMEHWOYICULF-NSHDSACASA-N 0 357.229 FE 2.12 0 Anodyne ref FEAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(O)c(Br)c1 CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc(Cl)c1O ZINC000000683697 31/34/78/219313478 YRDIBZWLTZTPNS-LBPRGKRZSA-N -1 356.831 FE 2.41 3 Anodyne high FEAAHM CCOc1cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc(Cl)c1[O-] CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc(Cl)c1O ZINC000000683697 31/34/75/219313475 YRDIBZWLTZTPNS-LBPRGKRZSA-N 0 356.831 FE 2.41 0 Anodyne ref FEAARN CCOc1cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc(Cl)c1O COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1Cl ZINC000000683711 31/33/73/219313373 GJOLHDSHFULERW-CYBMUJFWSA-N 0 356.831 FE 2.323 1 Anodyne mid FEAAMN COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1Cl COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1Cl ZINC000000683711 31/33/69/219313369 GJOLHDSHFULERW-CYBMUJFWSA-N 0 356.831 FE 2.323 0 Anodyne ref FEAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1Cl COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OC)cc1Cl ZINC000000683712 31/34/65/219313465 GJOLHDSHFULERW-ZDUSSCGKSA-N 0 356.831 FE 2.323 1 Anodyne mid FEAAMN COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OC)cc1Cl COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OC)cc1Cl ZINC000000683712 31/34/61/219313461 GJOLHDSHFULERW-ZDUSSCGKSA-N 0 356.831 FE 2.323 0 Anodyne ref FEAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(OC)c(OC)cc1Cl N#C/C(=C\c1ccc(I)o1)C(=O)NC[C@H]1CCCO1 ZINC000000854009 62/97/78/263629778 PRDJFEBAGQYXOE-OALRPVAKSA-N 0 372.162 FE 2.086 0 Reactive ref FEGARN N#C/C(=C\c1ccc(I)o1)C(=O)NC[C@H]1CCCO1 N#C/C(=C\c1ccc(I)o1)C(=O)NC[C@@H]1CCCO1 ZINC000000854011 63/00/01/263630001 PRDJFEBAGQYXOE-LAHYYIKRSA-N 0 372.162 FE 2.086 0 Reactive ref FEGARN N#C/C(=C\c1ccc(I)o1)C(=O)NC[C@@H]1CCCO1 CCOC(=O)c1cnc(SCC(=O)Nc2cccc(C(C)=O)c2)nc1N ZINC000000862078 33/29/27/219332927 RYJAEAFOPACONX-UHFFFAOYSA-N 0 374.422 FE 2.169 0 Anodyne ref FEAARN CCOC(=O)c1cnc(SCC(=O)Nc2cccc(C(C)=O)c2)nc1N O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(F)cc1 ZINC000000885629 37/91/21/132379121 WFJYQSWAJYUBHJ-QPEQYQDCSA-N 0 354.293 FE 2.221 2 Clean low FECALN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(F)cc1 O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(F)cc1 ZINC000000885629 37/91/20/132379120 WFJYQSWAJYUBHJ-QPEQYQDCSA-N -1 354.293 FE 2.221 0 Clean ref FECARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(F)cc1 COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000000886162 98/23/23/536982323 GHBAXBPSQSZGHS-JYRVWZFOSA-N 0 366.329 FE 2.09 2 Clean low FECALN COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000000886162 98/23/16/536982316 GHBAXBPSQSZGHS-JYRVWZFOSA-N -1 366.329 FE 2.09 0 Clean ref FECARM COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(C)C1=O ZINC000000911226 34/02/92/219340292 YZVCBHXKZAEJDM-UHFFFAOYSA-N 0 355.306 FE 2.289 0 Clean ref FECARN CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(C)C1=O CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1O ZINC000000982522 33/73/04/539337304 XHJKGUCUFRRNHQ-ITTMYVLYSA-N 0 351.38 FE 2.389 0 Anodyne ref FEAARN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1O CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)ccc1O ZINC000000982524 33/68/91/539336891 XHJKGUCUFRRNHQ-TVNQGELYSA-N 0 351.38 FE 2.389 0 Anodyne ref FEAARN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)ccc1O CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)cc1 ZINC000001053443 33/79/25/539337925 IOQFIDGJBCTKPU-NTEUORMPSA-N -1 354.387 FE 2.406 1 Clean mid FECAMM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)o2)cc1 CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)cc1 ZINC000001053443 33/79/19/539337919 IOQFIDGJBCTKPU-NTEUORMPSA-N 0 354.387 FE 2.406 0 Clean ref FECARN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)o2)cc1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC ZINC000001073333 36/43/73/219364373 YHQFUMKAWXJDKZ-GFCCVEGCSA-N 0 355.188 FE 2.259 0 Anodyne ref FEAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC ZINC000001073335 31/35/78/210313578 YHQFUMKAWXJDKZ-LBPRGKRZSA-N 0 355.188 FE 2.259 0 Anodyne ref FEAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC Brc1cc(/C=N/n2cnnc2)oc1I ZINC000001102246 36/92/96/219369296 YEKBIAJOCAHAKZ-SWGQDTFXSA-N 0 366.944 FE 2.12 0 Mild ref FEEARN Brc1cc(/C=N/n2cnnc2)oc1I COc1cccc(/C=N/n2cnnc2)c1OCc1ccc(C(=O)O)cc1 ZINC000001117327 33/88/70/539338870 QDSCBFHNSOCMOI-ZVBGSRNCSA-N -1 352.35 FE 2.446 0 Mild ref FEEARM COc1cccc(/C=N/n2cnnc2)c1OCc1ccc(C(=O)[O-])cc1 COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(O)ccc1Br ZINC000001136384 37/79/98/219377998 TUIMUSKWPXOSCE-GFCCVEGCSA-N -1 355.188 FE 2.298 3 Anodyne high FEAAHM COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc([O-])ccc1Br COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(O)ccc1Br ZINC000001136384 37/79/95/219377995 TUIMUSKWPXOSCE-GFCCVEGCSA-N 0 355.188 FE 2.298 0 Anodyne ref FEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(O)ccc1Br COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(O)ccc1Br ZINC000001136385 33/92/58/539339258 TUIMUSKWPXOSCE-LBPRGKRZSA-N -1 355.188 FE 2.298 3 Anodyne high FEAAHM COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc([O-])ccc1Br COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(O)ccc1Br ZINC000001136385 33/92/54/539339254 TUIMUSKWPXOSCE-LBPRGKRZSA-N 0 355.188 FE 2.298 0 Anodyne ref FEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(O)ccc1Br COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(O)c(O)c(Br)c1 ZINC000001136472 37/84/25/219378425 RYMRYWIWOHJDGU-LLVKDONJSA-N -1 371.187 FE 2.003 3 Clean high FECAHM COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(O)c([O-])c(Br)c1 COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(O)c(O)c(Br)c1 ZINC000001136472 37/84/23/219378423 RYMRYWIWOHJDGU-LLVKDONJSA-N 0 371.187 FE 2.003 0 Clean ref FECARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(O)c(O)c(Br)c1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(O)c(O)c(Br)c1 ZINC000001136473 33/92/39/539339239 RYMRYWIWOHJDGU-NSHDSACASA-N -1 371.187 FE 2.003 3 Clean high FECAHM COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(O)c([O-])c(Br)c1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(O)c(O)c(Br)c1 ZINC000001136473 33/92/36/539339236 RYMRYWIWOHJDGU-NSHDSACASA-N 0 371.187 FE 2.003 0 Clean ref FECARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(O)c(O)c(Br)c1 COC(=O)CN1C(=O)S/C(=C/c2cc(Cl)cc(OC)c2O)C1=O ZINC000001138570 32/31/43/210323143 IPIUVYQQSXRXIO-ONNFQVAWSA-N 0 357.771 FE 2.264 0 Anodyne ref FEAARN COC(=O)CN1C(=O)S/C(=C/c2cc(Cl)cc(OC)c2O)C1=O Cc1ccnc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1 ZINC000001140133 37/88/90/219378890 FVVUNLVOBZRUOJ-UHFFFAOYSA-N 0 368.462 FE 2.396 0 Clean ref FECARN Cc1ccnc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1 CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC)C1=O)OCO2 ZINC000001142913 38/05/64/219380564 MPQIQZTWTKPCJE-WLRTZDKTSA-N 0 365.363 FE 2.023 0 Anodyne ref FEAARN CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC)C1=O)OCO2 CCOc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OCC ZINC000001148148 38/10/25/219381025 YZVLVHALVLPSIK-BJMVGYQFSA-N 0 355.188 FE 2.427 1 Anodyne mid FEAAMN CCOc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OCC CCOc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OCC ZINC000001148148 38/10/20/219381020 YZVLVHALVLPSIK-BJMVGYQFSA-N -1 355.188 FE 2.427 0 Anodyne ref FEAARM CCOc1cc(Br)c(/C=C2/NC(=O)[N-]C2=O)cc1OCC Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccnc1 ZINC000001149040 98/81/23/203988123 YQPQBWSCKZVPHH-UHFFFAOYSA-N 0 354.435 FE 2.088 0 Clean ref FECARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccnc1 Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)nc1 ZINC000001150677 38/18/10/219381810 AJTICDBNVSWVBF-UHFFFAOYSA-N 0 368.462 FE 2.396 0 Clean ref FECARN Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)nc1 O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 ZINC000001151016 38/05/94/132380594 IQSOOSHARLCYKH-NTEUORMPSA-N -1 370.361 FE 2.355 1 Clean mid FECAMM O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 ZINC000001151016 38/05/93/132380593 IQSOOSHARLCYKH-NTEUORMPSA-N -2 370.361 FE 2.355 0 Clean ref FECARL O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 CC[C@@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC ZINC000001151117 32/62/84/210326284 JTFCNSCUTRTZGU-LLVKDONJSA-N 0 362.451 FE 2.471 0 Clean ref FECARN CC[C@@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC CC[C@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC ZINC000001151118 38/13/96/219381396 JTFCNSCUTRTZGU-NSHDSACASA-N 0 362.451 FE 2.471 0 Clean ref FECARN CC[C@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1 ZINC000001160930 33/90/52/539339052 WHBRTUMKKMXVOS-UHFFFAOYSA-N -1 369.446 FE 2.407 1 Clean mid FECAMM CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)NC3=O)c2C)cc1 CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1 ZINC000001160930 33/90/46/539339046 WHBRTUMKKMXVOS-UHFFFAOYSA-N 0 369.446 FE 2.407 0 Clean ref FECARN CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1 COC(=O)COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001161709 86/30/01/206863001 RMKDRXRRYAAWGO-LFIBNONCSA-N 0 352.346 FE 2.336 0 Anodyne ref FEAARN COC(=O)COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc3c(c2)OCCO3)C1=O ZINC000001162051 32/77/94/210327794 IAPOAPXFTSBLMS-AHEVQNHNSA-N 0 363.391 FE 2.446 0 Anodyne ref FEAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc3c(c2)OCCO3)C1=O CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc3c(c2)OCCO3)C1=O ZINC000001162053 33/91/22/539339122 IAPOAPXFTSBLMS-ADVUTCEVSA-N 0 363.391 FE 2.446 0 Anodyne ref FEAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc3c(c2)OCCO3)C1=O CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000001166897 33/92/15/539339215 FHLUUTSUZYZHJY-GHXNOFRVSA-N 0 366.351 FE 2.203 0 Bother ref FEBARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C1=O Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)NC3=O)cc2)cc1 ZINC000001167341 38/46/40/219384640 IODZIFQAUYLLGK-MHWRWJLKSA-N 0 351.362 FE 2.193 1 Anodyne mid FEAAMN Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)NC3=O)cc2)cc1 Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)NC3=O)cc2)cc1 ZINC000001167341 38/46/36/219384636 IODZIFQAUYLLGK-MHWRWJLKSA-N -1 351.362 FE 2.193 0 Anodyne ref FEAARM Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)[N-]C3=O)cc2)cc1 CCOc1ccc(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000001168933 38/46/85/219384685 UWNHRVYCVLYGPI-UHFFFAOYSA-N 0 367.199 FE 2.282 0 Clean ref FECARN CCOc1ccc(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 ZINC000001170268 34/03/03/539340303 PEEHNTRLFXRHMA-FHXOWUIVSA-N -1 362.407 FE 2.159 0 Mild ref FEEARM Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 ZINC000001170270 34/01/86/539340186 PEEHNTRLFXRHMA-VBEHJTROSA-N -1 362.407 FE 2.159 0 Mild ref FEEARM Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O ZINC000001172875 32/96/57/210329657 XHPFDEVYEFGOQA-UHFFFAOYSA-N -1 354.815 FE 2.043 3 Clean high FECAHM CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1[O-] CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O ZINC000001172875 32/96/52/210329652 XHPFDEVYEFGOQA-UHFFFAOYSA-N 0 354.815 FE 2.043 0 Clean ref FECARN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OC ZINC000001172944 34/01/36/539340136 NSZYIDVFNGIDFR-UHFFFAOYSA-N 0 360.435 FE 2.031 0 Mild ref FEEARN C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OC COc1cc(/C=N/n2cnnc2)ccc1OCc1cccc(C(=O)O)c1 ZINC000001177653 00/51/78/522005178 FIUTUFBXWCAPDN-ZVBGSRNCSA-N -1 352.35 FE 2.446 0 Mild ref FEEARM COc1cc(/C=N/n2cnnc2)ccc1OCc1cccc(C(=O)[O-])c1 Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000001178385 33/03/12/210330312 IHJCCQUURDMNJP-UHFFFAOYSA-N 0 353.378 FE 2.234 0 Clean ref FECARN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(O)cc1 CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(C)C1=S ZINC000001180169 33/99/17/539339917 DIQZHMQZJYCEJW-UHFFFAOYSA-N 0 371.374 FE 2.454 0 Clean ref FECARN CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(C)C1=S CN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(C)C1=S ZINC000001180231 33/01/87/210330187 WEPIQAMLNFRLII-UHFFFAOYSA-N 0 371.374 FE 2.454 0 Clean ref FECARN CN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(C)C1=S C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OCC)c1OC ZINC000001180272 14/93/36/210149336 KLVDEUAXZHMDTP-UHFFFAOYSA-N 0 374.462 FE 2.421 0 Mild ref FEEARN C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OCC)c1OC COc1ccc(Br)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000001180447 86/43/45/206864345 QCXBHYISEZEWQF-UHFFFAOYSA-N 0 369.24 FE 2.056 0 Clean ref FECARN COc1ccc(Br)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O COc1ccc2ccc(OC)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2c1 ZINC000001185919 38/61/09/219386109 NOMMHYUHLCPXAI-UHFFFAOYSA-N 0 370.43 FE 2.456 0 Clean ref FECARN COc1ccc2ccc(OC)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2c1 CCOc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC ZINC000001186455 34/00/88/539340088 NRHKHRCVSMCUNC-UHFFFAOYSA-N 0 368.842 FE 2.346 0 Clean ref FECARN CCOc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OCC)c1O ZINC000001186479 38/61/70/219386170 LLPWQRVSAHEOTA-UHFFFAOYSA-N 0 360.435 FE 2.118 0 Mild ref FEEARN C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OCC)c1O COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000001192764 38/08/52/132380852 LBNAOZUAVXVSMP-NTEUORMPSA-N 0 352.346 FE 2.376 2 Clean low FECALN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000001192764 38/08/51/132380851 LBNAOZUAVXVSMP-NTEUORMPSA-N -1 352.346 FE 2.376 0 Clean ref FECARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1O Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001192777 38/10/04/132381004 WXCPVQPBCWENCR-RIYZIHGNSA-N 0 350.33 FE 2.39 2 Clean low FECALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001192777 38/10/03/132381003 WXCPVQPBCWENCR-RIYZIHGNSA-N -1 350.33 FE 2.39 0 Clean ref FECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(F)c1 ZINC000001201916 34/01/52/539340152 JDCBGLMYIQTYEP-UHFFFAOYSA-N 0 370.336 FE 2.163 1 Clean mid FECAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(F)c1 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(F)c1 ZINC000001201916 34/01/49/539340149 JDCBGLMYIQTYEP-UHFFFAOYSA-N -1 370.336 FE 2.163 0 Clean ref FECARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1cccc(F)c1 COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O ZINC000001202746 38/09/78/132380978 CEKRVLMKUYHSKU-GXDHUFHOSA-N 0 352.346 FE 2.376 2 Clean low FECALN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O ZINC000001202746 38/09/77/132380977 CEKRVLMKUYHSKU-GXDHUFHOSA-N -1 352.346 FE 2.376 0 Clean ref FECARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1O CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1O ZINC000001408322 34/17/70/539341770 GHFVZICPRUXJSP-UXBLZVDNSA-N -1 355.188 FE 2.466 3 Anodyne high FEAAHM CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1[O-] CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1O ZINC000001408322 34/17/66/539341766 GHFVZICPRUXJSP-UXBLZVDNSA-N 0 355.188 FE 2.466 0 Anodyne ref FEAARN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1O C[C@H](Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)C(=O)O ZINC000002076529 34/49/05/539344905 GCNMWPSHBPUACZ-YAFRSCOQSA-N -1 366.398 FE 2.309 0 Anodyne ref FEAARM C[C@H](Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)C(=O)[O-] C[C@@H](Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)C(=O)O ZINC000002076531 34/49/26/539344926 GCNMWPSHBPUACZ-HPUUJOOBSA-N -1 366.398 FE 2.309 0 Anodyne ref FEAARM C[C@@H](Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)C(=O)[O-] COCCn1c(C)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c1C ZINC000002116157 34/50/55/539345055 YTKDEKFGHFJIJK-IGVUGNCQSA-N 0 366.439 FE 2.349 0 Anodyne ref FEAARN COCCn1c(C)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c1C COCCn1c(C)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c1C ZINC000002116161 02/61/86/204026186 YTKDEKFGHFJIJK-ZMTLZGASSA-N 0 366.439 FE 2.349 0 Anodyne ref FEAARN COCCn1c(C)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c1C CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=S ZINC000002121696 34/46/05/539344605 DUAWSFPBSIPYGT-GHXNOFRVSA-N -1 353.421 FE 2.38 0 Clean ref FECARM CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)SC1=S O=C1NC(=S)N/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 ZINC000002155502 34/55/12/539345512 WIGXHEFVHQTFEP-DHDCSXOGSA-N -2 354.387 FE 2.309 1 Anodyne mid FEAAML O=C1[N-]C(=S)NC1=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 O=C1NC(=S)N/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 ZINC000002155502 34/55/00/539345500 WIGXHEFVHQTFEP-DHDCSXOGSA-N -1 354.387 FE 2.309 0 Anodyne ref FEAARM O=C1NC(=S)NC1=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 C#CCOc1ccc2ccccc2c1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000002183789 34/60/27/539346027 YSSOJKRWTOUXSI-UHFFFAOYSA-N 0 364.426 FE 2.45 0 Mild ref FEEARN C#CCOc1ccc2ccccc2c1C=C1C(=O)N(C)C(=S)N(C)C1=O Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000002193806 38/38/62/210383862 SGQOJIKCWTXBFA-UHFFFAOYSA-N 0 353.334 FE 2.413 1 Clean mid FECAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000002193806 38/38/57/210383857 SGQOJIKCWTXBFA-UHFFFAOYSA-N -1 353.334 FE 2.413 0 Clean ref FECARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 O=C(O)CN1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)SC1=S ZINC000002233944 34/70/48/539347048 QHOOWJJSBZNLET-MDWZMJQESA-N -1 360.416 FE 2.469 0 Clean ref FECARM O=C([O-])CN1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)SC1=S