Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccccc1 ZINC000000048523 12/14/63/361121463 XAHSNLQYDWOYPU-CXUHLZMHSA-N 0 272.377 CE 2.261 0 Mild ref CEEARN Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccccc1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1 ZINC000000063167 62/38/57/301623857 PLGYEYUIBSSBMR-UKTHLTGXSA-N 0 296.282 CE 2.254 2 Clean low CECALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccco3)C2=O)cc1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1 ZINC000000063167 62/38/55/301623855 PLGYEYUIBSSBMR-UKTHLTGXSA-N -1 296.282 CE 2.254 0 Clean ref CECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1 CC(C)Oc1ccc(/C=C2/NC(=O)NC2=O)cc1Cl ZINC000000073866 12/37/74/361123774 RHHKOKMWWWLYBD-UXBLZVDNSA-N 0 280.711 CE 2.308 1 Anodyne mid CEAAMN CC(C)Oc1ccc(/C=C2/NC(=O)NC2=O)cc1Cl CC(C)Oc1ccc(/C=C2/NC(=O)NC2=O)cc1Cl ZINC000000073866 12/37/73/361123773 RHHKOKMWWWLYBD-UXBLZVDNSA-N -1 280.711 CE 2.308 0 Anodyne ref CEAARM CC(C)Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Cl COCc1cc(C)nc2sc(C(=O)OC)c(N)c12 ZINC000000079366 12/51/82/361125182 SZGVOSLMLBHQDE-UHFFFAOYSA-N 0 266.322 CE 2.12 0 Clean ref CECARN COCc1cc(C)nc2sc(C(=O)OC)c(N)c12 CSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 ZINC000000086028 18/12/50/278181250 SDLNVCHYYOOUJZ-ZETCQYMHSA-N 0 260.322 CE 2.411 0 Anodyne ref CEAARN CSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 CSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 ZINC000000086030 73/56/41/286735641 SDLNVCHYYOOUJZ-SSDOTTSWSA-N 0 260.322 CE 2.411 0 Anodyne ref CEAARN CSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1cccs1 ZINC000000099122 53/58/20/169535820 XFBDPHXHAJRXNX-CQSZACIVSA-N 0 291.303 CE 2.3 0 Anodyne ref CEAARN O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1cccs1 O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1cccs1 ZINC000000099126 53/57/31/169535731 XFBDPHXHAJRXNX-AWEZNQCLSA-N 0 291.303 CE 2.3 0 Anodyne ref CEAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1cccs1 O=S(=O)(NCCc1ccccc1)c1ccccc1 ZINC000000102296 12/85/53/361128553 ASBWJERTCCTIMI-UHFFFAOYSA-N 0 261.346 CE 2.208 0 Anodyne ref CEAARN O=S(=O)(NCCc1ccccc1)c1ccccc1 Fc1cnc(Nc2ccccc2)nc1N1CCOCC1 ZINC000000108935 12/93/44/361129344 RDZJAIPXDYYQLU-UHFFFAOYSA-N 0 274.299 CE 2.196 0 Anodyne ref CEAARN Fc1cnc(Nc2ccccc2)nc1N1CCOCC1 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1sccc1C ZINC000000133094 13/32/45/361133245 OSHKHPNBOXBICK-SNVBAGLBSA-N 0 280.349 CE 2.248 0 Anodyne ref CEAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1sccc1C CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1sccc1C ZINC000000133098 13/40/15/361134015 OSHKHPNBOXBICK-JTQLQIEISA-N 0 280.349 CE 2.248 0 Anodyne ref CEAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1sccc1C CN(C)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1 ZINC000000203108 14/54/12/361145412 HSBYKHDWGSSUHB-VCHYOVAHSA-N 1 280.335 CE 2.017 2 Mild low CEEALO C[NH+](C)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1 CN(C)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1 ZINC000000203108 14/54/01/361145401 HSBYKHDWGSSUHB-VCHYOVAHSA-N 0 280.335 CE 2.017 0 Mild ref CEEARN CN(C)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1 CCOC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 ZINC000000205477 14/53/13/361145313 IEOGPWHCLFLAGG-BQYQJAHWSA-N 0 274.276 CE 2.452 0 Bother ref CEBARN CCOC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 O=C1Nc2ccccc2[C@]1(O)c1c[nH]c2ccccc12 ZINC000000216600 57/84/11/169578411 LLSIEQLHMGACNA-INIZCTEOSA-N 0 264.284 CE 2.356 0 Anodyne ref CEAARN O=C1Nc2ccccc2[C@]1(O)c1c[nH]c2ccccc12 O=C1Nc2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 ZINC000000216605 14/76/18/361147618 LLSIEQLHMGACNA-MRXNPFEDSA-N 0 264.284 CE 2.356 0 Anodyne ref CEAARN O=C1Nc2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 CCOC(=O)C1=C(c2ccccc2)N2CCN=C2S1 ZINC000000217329 14/72/56/361147256 KBFHHQLOARDYNL-UHFFFAOYSA-N 0 274.345 CE 2.337 0 Anodyne ref CEAARN CCOC(=O)C1=C(c2ccccc2)N2CCN=C2S1 Cc1ccsc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 ZINC000000289003 86/31/27/264863127 CRDCXSIUDXWJMF-VNKGSWCUSA-N 0 276.361 CE 2.259 0 Reactive ref CEGARN Cc1ccsc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 COc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccccc21 ZINC000000299925 15/81/58/361158158 LZFXBWHPUUKMBG-QGZVFWFLSA-N 0 297.31 CE 2.108 0 Anodyne ref CEAARN COc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccccc21 COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 ZINC000000299926 60/14/78/169601478 LZFXBWHPUUKMBG-KRWDZBQOSA-N 0 297.31 CE 2.108 0 Anodyne ref CEAARN COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 Cc1c(C(=O)O)cccc1-c1ccc(/C=N/n2cnnc2)o1 ZINC000000317580 16/16/28/361161628 BHHMSGPGEPLOCX-CNHKJKLMSA-N -1 296.286 CE 2.427 0 Mild ref CEEARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N/n2cnnc2)o1 Cn1cccc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000000356596 61/62/34/169616234 PUBBUIFJKHKIAD-RAXLEYEMSA-N 0 252.273 CE 2.37 0 Clean ref CECARN Cn1cccc1/C=C1\N=C(c2ccccc2)OC1=O CCN1C(=O)N/C(=C/c2cccc(Br)c2)C1=O ZINC000000361616 61/71/01/169617101 UUKHAKGYMFQWOR-JXMROGBWSA-N 0 295.136 CE 2.362 0 Anodyne ref CEAARN CCN1C(=O)N/C(=C/c2cccc(Br)c2)C1=O CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OC ZINC000000361639 16/49/44/361164944 BMNKVIHLBDXJSZ-DHZHZOJOSA-N 0 290.319 CE 2.006 0 Anodyne ref CEAARN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OC COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000000365677 61/93/22/169619322 ZGEHQMHTHAEXJC-GFCCVEGCSA-N 0 294.738 CE 2.483 0 Anodyne ref CEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000000365678 16/61/97/361166197 ZGEHQMHTHAEXJC-LBPRGKRZSA-N 0 294.738 CE 2.483 0 Anodyne ref CEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 CCOc1ccc(/C=C2/NC(=S)NC2=O)cc1Cl ZINC000000367947 16/65/03/361166503 IFUSVTCZORPVLU-RMKNXTFCSA-N -1 282.752 CE 2.084 1 Anodyne mid CEAAMM CCOc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1Cl CCOc1ccc(/C=C2/NC(=S)NC2=O)cc1Cl ZINC000000367947 16/65/00/361166500 IFUSVTCZORPVLU-RMKNXTFCSA-N 0 282.752 CE 2.084 0 Anodyne ref CEAARN CCOc1ccc(/C=C2/NC(=S)NC2=O)cc1Cl NC(=S)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000372054 62/13/05/169621305 XBEQJQOQNBKEBO-VGOFMYFVSA-N 0 290.304 CE 2.022 0 Mild ref CEEARN NC(=S)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 CC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N=C1C ZINC000000384322 16/83/50/361168350 XXVNJNVIOSQABF-LLVKDONJSA-N 0 272.333 CE 2.232 0 Anodyne ref CEAARN CC(=O)C1=C(C)Nn2c(nnc2-c2ccccc2)S1 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C ZINC000000439856 17/51/07/361175107 YGIUDLHRMXTMBT-ZDUSSCGKSA-N 0 274.32 CE 2.186 1 Anodyne mid CEAAMN CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccccc1C CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C ZINC000000439856 17/51/02/361175102 YGIUDLHRMXTMBT-ZDUSSCGKSA-N 0 274.32 CE 2.186 0 Anodyne ref CEAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C ZINC000000439858 17/46/91/361174691 YGIUDLHRMXTMBT-CYBMUJFWSA-N 0 274.32 CE 2.186 1 Anodyne mid CEAAMN CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccccc1C CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C ZINC000000439858 17/46/88/361174688 YGIUDLHRMXTMBT-CYBMUJFWSA-N 0 274.32 CE 2.186 0 Anodyne ref CEAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(F)cc1 ZINC000000447361 01/54/23/534015423 MYXPCFSRYYTGRJ-CAOOACKPSA-N 0 290.367 CE 2.4 0 Mild ref CEEARN Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(F)cc1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000000457935 45/02/65/394450265 OKQMMPOZWWZCCC-ZDUSSCGKSA-N 0 274.32 CE 2.104 1 Anodyne mid CEAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1cc(C)ccc1C COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000000457935 45/02/61/394450261 OKQMMPOZWWZCCC-ZDUSSCGKSA-N 0 274.32 CE 2.104 0 Anodyne ref CEAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C)ccc1C COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000000457936 17/68/26/361176826 OKQMMPOZWWZCCC-CYBMUJFWSA-N 0 274.32 CE 2.104 1 Anodyne mid CEAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cc(C)ccc1C COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000000457936 17/68/16/361176816 OKQMMPOZWWZCCC-CYBMUJFWSA-N 0 274.32 CE 2.104 0 Anodyne ref CEAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C)ccc1C CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1C ZINC000000458138 17/72/65/361177265 NJYQSMOEYIEVEN-ZDUSSCGKSA-N 0 290.388 CE 2.351 0 Anodyne ref CEAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccccc1C CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1C ZINC000000458140 66/96/34/285669634 NJYQSMOEYIEVEN-CYBMUJFWSA-N 0 290.388 CE 2.351 0 Anodyne ref CEAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccccc1C COc1c(Cl)cc(/C=N/n2cnnc2)cc1Cl ZINC000000459766 78/86/56/277788656 NGOJHUMAWBDYOV-SYZQJQIISA-N 0 271.107 CE 2.476 0 Mild ref CEEARN COc1c(Cl)cc(/C=N/n2cnnc2)cc1Cl CC1CCN([C@]2(O)C(=O)Nc3ccc(Cl)cc32)CC1 ZINC000000460841 17/73/41/361177341 GKYJRGNRZNXLRK-CQSZACIVSA-N 0 280.755 CE 2.169 0 Anodyne ref CEAARN CC1CCN([C@]2(O)C(=O)Nc3ccc(Cl)cc32)CC1 CC1CCN([C@@]2(O)C(=O)Nc3ccc(Cl)cc32)CC1 ZINC000000460843 83/56/94/281835694 GKYJRGNRZNXLRK-AWEZNQCLSA-N 0 280.755 CE 2.169 0 Anodyne ref CEAARN CC1CCN([C@@]2(O)C(=O)Nc3ccc(Cl)cc32)CC1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000000466859 91/88/33/290918833 BVWXGXZCLSKWSZ-ZDUSSCGKSA-N 0 274.32 CE 2.138 0 Anodyne ref CEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1C COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000000466860 17/77/78/361177778 BVWXGXZCLSKWSZ-CYBMUJFWSA-N 0 274.32 CE 2.138 0 Anodyne ref CEAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1C Cc1cc(C)c2c(c1)[C@@](O)(CC(=O)c1ccccn1)C(=O)N2 ZINC000000471314 36/61/42/230366142 JHXOFBSFVNOHDN-KRWDZBQOSA-N 0 296.326 CE 2.111 0 Anodyne ref CEAARN Cc1cc(C)c2c(c1)[C@@](O)(CC(=O)c1ccccn1)C(=O)N2 Cc1cc(C)c2c(c1)[C@](O)(CC(=O)c1ccccn1)C(=O)N2 ZINC000000471315 36/61/72/230366172 JHXOFBSFVNOHDN-QGZVFWFLSA-N 0 296.326 CE 2.111 0 Anodyne ref CEAARN Cc1cc(C)c2c(c1)[C@](O)(CC(=O)c1ccccn1)C(=O)N2 Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)o1 ZINC000000471430 36/61/02/230366102 BTNBOWMYRHQMHJ-HNNXBMFYSA-N 0 271.272 CE 2.001 0 Anodyne ref CEAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)o1 O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1 ZINC000000472269 64/97/76/169649776 MNLRPOMQQCMQBE-MRXNPFEDSA-N 0 285.274 CE 2.238 0 Anodyne ref CEAARN O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1 O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1 ZINC000000472270 17/95/12/361179512 MNLRPOMQQCMQBE-INIZCTEOSA-N 0 285.274 CE 2.238 0 Anodyne ref CEAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1 COc1ccc(/C=C2/C(=O)N(C)C(=S)N=C2O)cc1C ZINC000000478877 18/06/98/361180698 CJSJRXHMLSWSKZ-JXMROGBWSA-N -1 290.344 CE 2.1 1 Clean mid CECAMM COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1C COc1ccc(/C=C2/C(=O)N(C)C(=S)N=C2O)cc1C ZINC000000478877 18/06/94/361180694 CJSJRXHMLSWSKZ-JXMROGBWSA-N 0 290.344 CE 2.1 0 Clean ref CECARN COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1C C=CCN1C(=O)N/C(=C/c2ccc(OC)c(C)c2)C1=O ZINC000000479390 65/18/81/169651881 QSKKQTZNTWSUMU-FMIVXFBMSA-N 0 272.304 CE 2.082 0 Mild ref CEEARN C=CCN1C(=O)N/C(=C/c2ccc(OC)c(C)c2)C1=O C=CCN1C(=O)N/C(=C/c2ccc(OC)c(Cl)c2)C1=O ZINC000000479406 18/05/84/361180584 WEYVEHBXUQCMCX-DHZHZOJOSA-N 0 292.722 CE 2.427 0 Mild ref CEEARN C=CCN1C(=O)N/C(=C/c2ccc(OC)c(Cl)c2)C1=O COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1 ZINC000000509479 27/58/93/264275893 IROARFBYJUZQHV-XYOKQWHBSA-N 0 296.282 CE 2.125 0 Reactive ref CEGARN COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1 O=C1NC(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)N1 ZINC000000526727 18/33/85/361183385 YHYNPVPFHGCYMG-YRNVUSSQSA-N 0 272.235 CE 2.266 1 Anodyne mid CEAAMN O=C1NC(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)N1 O=C1NC(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)N1 ZINC000000526727 18/33/81/361183381 YHYNPVPFHGCYMG-YRNVUSSQSA-N -1 272.235 CE 2.266 0 Anodyne ref CEAARM O=C1[N-]C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)N1 Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/n2cnnc2)o1 ZINC000000531764 18/38/25/361183825 TXIUFNVREMXCEA-CNHKJKLMSA-N -1 296.286 CE 2.427 0 Mild ref CEEARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/n2cnnc2)o1 CNC(=O)/C(C#N)=C/c1cccc(OC)c1OC(C)C ZINC000000559109 27/19/81/264271981 OBOGLLQRHHSCEZ-XYOKQWHBSA-N 0 274.32 CE 2.135 0 Reactive ref CEGARN CNC(=O)/C(C#N)=C/c1cccc(OC)c1OC(C)C CCN1C(=O)N/C(=C/c2cccc(Cl)c2)C1=O ZINC000000561182 18/66/73/361186673 AJKYSZDPUJGVRW-JXMROGBWSA-N 0 250.685 CE 2.253 0 Anodyne ref CEAARN CCN1C(=O)N/C(=C/c2cccc(Cl)c2)C1=O Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(C)o1)C(=O)N2 ZINC000000565205 18/71/60/361187160 CDJXTUHPUBXUSM-INIZCTEOSA-N 0 285.299 CE 2.309 0 Anodyne ref CEAARN Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(C)o1)C(=O)N2 Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C)o1)C(=O)N2 ZINC000000565206 18/71/51/361187151 CDJXTUHPUBXUSM-MRXNPFEDSA-N 0 285.299 CE 2.309 0 Anodyne ref CEAARN Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C)o1)C(=O)N2 Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)o1 ZINC000000565213 18/64/36/361186436 HGKFPUYSLZZUNM-MRXNPFEDSA-N 0 285.299 CE 2.025 0 Anodyne ref CEAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)o1 Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)o1 ZINC000000565214 18/68/73/361186873 HGKFPUYSLZZUNM-INIZCTEOSA-N 0 285.299 CE 2.025 0 Anodyne ref CEAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)o1 CNC(=O)/C(C#N)=C/c1cccn1-c1ccccc1 ZINC000000566177 27/25/50/264272550 LAIOLNWWEWMAKM-ZRDIBKRKSA-N 0 251.289 CE 2.13 0 Reactive ref CEGARN CNC(=O)/C(C#N)=C/c1cccn1-c1ccccc1 NC(=S)N/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000000573123 67/10/49/169671049 RCBHOFABPFUCIR-OVCLIPMQSA-N 0 278.768 CE 2.298 0 Mild ref CEEARN NC(=S)N/N=C/c1cccn1-c1ccc(Cl)cc1 CNC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1 ZINC000000573774 27/19/83/264271983 WDFWURVIJKNJCU-SDNWHVSQSA-N 0 269.348 CE 2.33 0 Reactive ref CEGARN CNC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1 CNC(=O)/C(C#N)=C/c1cccn1-c1ccc(N(C)C)cc1 ZINC000000573884 27/20/07/264272007 GQFILRUBJMLVDQ-ACCUITESSA-N 1 294.358 CE 2.196 2 Reactive low CEGALO CNC(=O)/C(C#N)=C/c1cccn1-c1ccc([NH+](C)C)cc1 CNC(=O)/C(C#N)=C/c1cccn1-c1ccc(N(C)C)cc1 ZINC000000573884 27/20/04/264272004 GQFILRUBJMLVDQ-ACCUITESSA-N 0 294.358 CE 2.196 0 Reactive ref CEGARN CNC(=O)/C(C#N)=C/c1cccn1-c1ccc(N(C)C)cc1 Cc1ccc(C)n1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000608685 18/80/66/361188066 ABCXSRSYFDZPFT-UHFFFAOYSA-N 0 259.265 CE 2.397 0 Bother ref CEBARN Cc1ccc(C)n1NC(=O)c1ccccc1[N+](=O)[O-] Cc1nnc(SCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000000610480 18/84/66/361188466 WWVWDBVULHGAPJ-UHFFFAOYSA-N 0 290.373 CE 2.449 0 Mild ref CEEARN Cc1nnc(SCC(=O)Nc2ccc(C#N)cc2)s1 Cc1cccc2c1N(C)C(=O)[C@@]2(O)CC(=O)c1ccco1 ZINC000000613784 18/96/05/361189605 CNHSKZGRVQDGEF-MRXNPFEDSA-N 0 285.299 CE 2.025 0 Anodyne ref CEAARN Cc1cccc2c1N(C)C(=O)[C@@]2(O)CC(=O)c1ccco1 Cc1cccc2c1N(C)C(=O)[C@]2(O)CC(=O)c1ccco1 ZINC000000613786 67/49/36/169674936 CNHSKZGRVQDGEF-INIZCTEOSA-N 0 285.299 CE 2.025 0 Anodyne ref CEAARN Cc1cccc2c1N(C)C(=O)[C@]2(O)CC(=O)c1ccco1 CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccco1)C(=O)N2 ZINC000000613895 18/91/43/361189143 WFAUHDBBWBXIPJ-INIZCTEOSA-N 0 285.299 CE 2.255 0 Anodyne ref CEAARN CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccco1)C(=O)N2 CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccco1)C(=O)N2 ZINC000000613896 18/99/89/361189989 WFAUHDBBWBXIPJ-MRXNPFEDSA-N 0 285.299 CE 2.255 0 Anodyne ref CEAARN CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccco1)C(=O)N2 Cc1csc(NC(=O)CSc2nnc(C)s2)n1 ZINC000000615480 19/00/96/361190096 BSZXVUMROVBGBP-UHFFFAOYSA-N 0 286.407 CE 2.342 0 Anodyne ref CEAARN Cc1csc(NC(=O)CSc2nnc(C)s2)n1 COc1cc(C(N)=O)ccc1OCc1ccccc1 ZINC000000619597 19/06/26/361190626 GFTRVDKUGDSLBK-UHFFFAOYSA-N 0 257.289 CE 2.373 0 Anodyne ref CEAARN COc1cc(C(N)=O)ccc1OCc1ccccc1 Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)NC1=O ZINC000000860081 19/46/12/361194612 PUDNAIYXDHIHAA-GXDHUFHOSA-N 0 285.347 CE 2.166 1 Clean mid CECAMN Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)NC1=O Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)NC1=O ZINC000000860081 19/46/03/361194603 PUDNAIYXDHIHAA-GXDHUFHOSA-N -1 285.347 CE 2.166 0 Clean ref CECARM Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)[N-]C1=O O=C(O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000000966693 06/68/11/304066811 IISVBECEDQMGKL-WEVVVXLNSA-N -1 297.719 CE 2.461 0 Anodyne ref CEAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O C#CCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000000980215 19/60/98/361196098 CMPGJQLMPUARHX-FLIBITNWSA-N 0 261.277 CE 2.495 0 Mild ref CEEARN C#CCN1C(=O)S/C(=C\c2ccccc2F)C1=O CC(C)=NNc1nnc2c3ccccc3n(C)c2n1 ZINC000000993783 55/77/18/275557718 UZKCLIUOYIPYCU-UHFFFAOYSA-N 0 254.297 CE 2.324 0 Mild ref CEEARN CC(C)N=Nc1nnc2c3ccccc3n(C)c2n1 CCOc1cc2c(cc1/C=C1/SC(=O)NC1=O)OCO2 ZINC000001011567 19/55/32/361195532 BLIYNBNXBQBXPC-NYYWCZLTSA-N -1 293.3 CE 2.138 1 Anodyne mid CEAAMM CCOc1cc2c(cc1C=C1SC(=O)[N-]C1=O)OCO2 CCOc1cc2c(cc1/C=C1/SC(=O)NC1=O)OCO2 ZINC000001011567 19/55/16/361195516 BLIYNBNXBQBXPC-NYYWCZLTSA-N 0 293.3 CE 2.138 0 Anodyne ref CEAARN CCOc1cc2c(cc1C=C1SC(=O)NC1=O)OCO2 CNC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1C ZINC000001095473 27/23/49/264272349 HZOCEQCHPHNORZ-GXDHUFHOSA-N 0 269.348 CE 2.248 0 Reactive ref CEGARN CNC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1C CN(C)C(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 ZINC000001106472 26/96/25/264269625 AEZZBHLREYPHIR-WEVVVXLNSA-N 0 295.136 CE 2.15 1 Reactive mid CEGAMN CN(C)C(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 CN(C)C(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 ZINC000001106472 26/96/24/264269624 AEZZBHLREYPHIR-WEVVVXLNSA-N -1 295.136 CE 2.15 0 Reactive ref CEGARM CN(C)C(=O)/C(C#N)=C/c1ccc([O-])c(Br)c1 CN(C)C(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001106494 26/90/16/264269016 VSJUAMAAQMHPPW-WEVVVXLNSA-N 0 279.683 CE 2.243 0 Reactive ref CEGARN CN(C)C(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1 COC(=O)CN1C(=O)S/C(=C\c2sccc2C)C1=O ZINC000001126179 19/82/55/361198255 MFASJXRSZDOPRY-UITAMQMPSA-N 0 297.357 CE 2.266 0 Anodyne ref CEAARN COC(=O)CN1C(=O)S/C(=C\c2sccc2C)C1=O COC(=O)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000001133692 83/01/95/283830195 LNSXCVVXYIEMFH-UXBLZVDNSA-N 0 295.291 CE 2.035 0 Anodyne ref CEAARN COC(=O)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)o2)C1=O ZINC000001135015 69/06/12/169690612 XCYXFLBCDLRYFB-QMEHYBMDSA-N 0 295.316 CE 2.186 0 Anodyne ref CEAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)o2)C1=O COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)o2)C1=O ZINC000001135017 69/07/51/169690751 XCYXFLBCDLRYFB-VSBFRKNKSA-N 0 295.316 CE 2.186 0 Anodyne ref CEAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)o2)C1=O COC(=O)CN1C(=O)S/C(=C/c2cccc(C)c2)C1=O ZINC000001139332 19/85/57/361198557 NNESLZRTWJZMCG-YRNVUSSQSA-N 0 291.328 CE 2.204 0 Anodyne ref CEAARN COC(=O)CN1C(=O)S/C(=C/c2cccc(C)c2)C1=O C#CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000001157729 45/14/53/394451453 PKOHWEJOOHOMHR-FLIBITNWSA-N 0 261.277 CE 2.495 0 Mild ref CEEARN C#CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O CCOC(=O)CN1C(=O)S/C(=C\c2ccsc2)C1=O ZINC000001161296 19/85/98/361198598 RAHOZSRCBGXESS-UITAMQMPSA-N 0 297.357 CE 2.348 0 Anodyne ref CEAARN CCOC(=O)CN1C(=O)S/C(=C\c2ccsc2)C1=O C#CCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O ZINC000001164718 45/14/84/394451484 MYYUOESDEUOLIO-FMIVXFBMSA-N 0 273.313 CE 2.365 0 Mild ref CEEARN C#CCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O