COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000041440 79/46/00/440794600 NZAIBYVEICSZBN-LLVKDONJSA-N -1 326.736 ED 1.855 3 Anodyne high EDAAHM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000041440 79/45/91/440794591 NZAIBYVEICSZBN-LLVKDONJSA-N 0 326.736 ED 1.855 0 Anodyne ref EDAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000041441 79/38/99/440793899 NZAIBYVEICSZBN-NSHDSACASA-N -1 326.736 ED 1.855 3 Anodyne high EDAAHM COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000000041441 79/38/88/440793888 NZAIBYVEICSZBN-NSHDSACASA-N 0 326.736 ED 1.855 0 Anodyne ref EDAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1)Nc1ccccc1 ZINC000000072272 79/58/41/440795841 MOWKVVONDXMTTC-XNTDXEJSSA-N 0 337.335 ED 1.884 1 Anodyne mid EDAAMN O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1)Nc1ccccc1 O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1)Nc1ccccc1 ZINC000000072272 79/58/27/440795827 MOWKVVONDXMTTC-XNTDXEJSSA-N -1 337.335 ED 1.884 0 Anodyne ref EDAARM O=C(COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1)Nc1ccccc1 Cc1cc(Br)cc2c1NC(=O)[C@]2(O)N1CCOCC1 ZINC000000086145 07/11/08/301071108 FTOFXEGEDQWMSN-ZDUSSCGKSA-N 0 327.178 ED 1.187 0 Anodyne ref EDAARN Cc1cc(Br)cc2c1NC(=O)[C@]2(O)N1CCOCC1 C#CCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 ZINC000000105314 79/92/70/440799270 BRHMQIOIWWIXJG-UHFFFAOYSA-N 0 337.404 ED 1.873 0 Clean ref EDCARN C#CCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)c(OC)c1 ZINC000000182335 80/46/64/440804664 QTFLVYIQDGDANT-UHFFFAOYSA-N -1 333.413 ED 1.456 1 Clean mid EDCAMM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OC)c1 CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)c(OC)c1 ZINC000000182335 80/46/49/440804649 QTFLVYIQDGDANT-UHFFFAOYSA-N 0 333.413 ED 1.456 0 Clean ref EDCARN CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)c(OC)c1 N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)NC[C@H]1CCCO1 ZINC000000247245 62/52/36/263625236 HOMTXZZOCGPETQ-XETPBLJFSA-N -1 330.34 ED 1.352 0 Reactive ref EDGARM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)NC[C@H]1CCCO1 N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC[C@@H]1CCCO1 ZINC000000247484 62/53/19/263625319 JLNNUDJPLDUYQM-VOMSXAGXSA-N 0 331.372 ED 1.318 0 Reactive ref EDGARN N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC[C@@H]1CCCO1 COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O ZINC000000296957 81/25/82/440812582 OIMPXLXBAYXFCP-UHFFFAOYSA-N -1 341.186 ED 1.372 1 Clean mid EDCAMM COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O ZINC000000296957 81/25/73/440812573 OIMPXLXBAYXFCP-UHFFFAOYSA-N 0 341.186 ED 1.372 0 Clean ref EDCARN COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O COc1ccc(/C=C2/NC(=O)NC2=O)cc1I ZINC000000317810 81/42/90/440814290 ICJQOOKZASVKSP-VMPITWQZSA-N 0 344.108 ED 1.48 1 Anodyne mid EDAAMN COc1ccc(/C=C2/NC(=O)NC2=O)cc1I COc1ccc(/C=C2/NC(=O)NC2=O)cc1I ZINC000000317810 81/42/80/440814280 ICJQOOKZASVKSP-VMPITWQZSA-N -1 344.108 ED 1.48 0 Anodyne ref EDAARM COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1I COc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000000318247 81/43/75/440814375 RKIIKAAXTLSQHO-UHFFFAOYSA-N 0 335.341 ED 1.202 0 Clean ref EDCARN COc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=S)N(C)C1=O COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000000365681 81/66/70/440816670 PAMXUOFLAITYAW-CYBMUJFWSA-N 0 335.316 ED 1.746 0 Bother ref EDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000000365684 81/65/76/440816576 PAMXUOFLAITYAW-ZDUSSCGKSA-N 0 335.316 ED 1.746 0 Bother ref EDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccncc1 ZINC000000366339 81/57/89/440815789 UDGDUWOPQJFCFU-UHFFFAOYSA-N -1 326.381 ED 1.403 3 Clean high EDCAHM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccncc1 Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccncc1 ZINC000000366339 81/57/84/440815784 UDGDUWOPQJFCFU-UHFFFAOYSA-N 0 326.381 ED 1.403 1 Clean mid EDCAMN Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cc[nH+]cc1 Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccncc1 ZINC000000366339 81/57/76/440815776 UDGDUWOPQJFCFU-UHFFFAOYSA-N 1 326.381 ED 1.403 0 Clean ref EDCARO Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cc[nH+]cc1 CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccncc1 ZINC000000422456 58/46/54/209584654 VUAKCDOAMFCLEQ-UHFFFAOYSA-N 0 333.417 ED 1.311 0 Anodyne ref EDAARN CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccncc1 CN1C(=O)C(=Cc2cc3c(cc2Cl)OCO3)C(=O)N(C)C1=S ZINC000000450793 00/60/30/277006030 KCPGIZRVXSOSHP-UHFFFAOYSA-N 0 338.772 ED 1.667 0 Clean ref EDCARN CN1C(=O)C(=Cc2cc3c(cc2Cl)OCO3)C(=O)N(C)C1=S CN1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)N(C)C1=S ZINC000000450826 82/32/23/440823223 BXCQFCMBKWXNSL-UHFFFAOYSA-N 0 333.413 ED 1.869 0 Clean ref EDCARN CN1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)N(C)C1=S CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(O)c1 ZINC000000450937 82/32/43/440823243 FLEOQDSRDLGJBF-UHFFFAOYSA-N 0 347.44 ED 1.837 0 Clean ref EDCARN CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(O)c1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(O)ccc1Br ZINC000000457894 82/32/20/440823220 JOMCLMHCMGITIO-LLVKDONJSA-N -1 341.161 ED 1.956 3 Anodyne high EDAAHM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([O-])ccc1Br COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(O)ccc1Br ZINC000000457894 82/32/18/440823218 JOMCLMHCMGITIO-LLVKDONJSA-N 0 341.161 ED 1.956 0 Anodyne ref EDAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(O)ccc1Br COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(O)ccc1Br ZINC000000457895 92/02/42/290920242 JOMCLMHCMGITIO-NSHDSACASA-N -1 341.161 ED 1.956 3 Anodyne high EDAAHM COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([O-])ccc1Br COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(O)ccc1Br ZINC000000457895 92/02/38/290920238 JOMCLMHCMGITIO-NSHDSACASA-N 0 341.161 ED 1.956 0 Anodyne ref EDAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(O)ccc1Br CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC ZINC000000458154 82/32/94/440823294 PEGYMMDWYIZIBN-ZDUSSCGKSA-N 0 335.316 ED 1.794 0 Bother ref EDBARN CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)NC(C)=C1C(=O)OC ZINC000000458155 82/32/73/440823273 PEGYMMDWYIZIBN-CYBMUJFWSA-N 0 335.316 ED 1.794 0 Bother ref EDBARN CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)NC(C)=C1C(=O)OC COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(Br)c1 ZINC000000458469 82/30/80/440823080 OGZXDOVQXUDWFC-LLVKDONJSA-N -1 341.161 ED 1.956 3 Anodyne high EDAAHM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c(Br)c1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(Br)c1 ZINC000000458469 82/30/76/440823076 OGZXDOVQXUDWFC-LLVKDONJSA-N 0 341.161 ED 1.956 0 Anodyne ref EDAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(Br)c1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(Br)c1 ZINC000000458470 82/32/87/440823287 OGZXDOVQXUDWFC-NSHDSACASA-N -1 341.161 ED 1.956 3 Anodyne high EDAAHM COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c(Br)c1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(Br)c1 ZINC000000458470 82/32/84/440823284 OGZXDOVQXUDWFC-NSHDSACASA-N 0 341.161 ED 1.956 0 Anodyne ref EDAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(Br)c1 Fc1cnc(N2CCOCC2)nc1N1CCN(c2ccccc2)CC1 ZINC000000459456 61/38/46/209613846 VODSPNHRNRKAGT-UHFFFAOYSA-N 0 343.406 ED 1.779 0 Anodyne ref EDAARN Fc1cnc(N2CCOCC2)nc1N1CCN(c2ccccc2)CC1 C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OCC)c1O ZINC000000459515 82/49/28/440824928 JDIKJSGPSRMPEN-UHFFFAOYSA-N -1 332.381 ED 1.434 1 Mild mid EDEAMM C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OCC)c1O C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OCC)c1O ZINC000000459515 82/49/21/440824921 JDIKJSGPSRMPEN-UHFFFAOYSA-N 0 332.381 ED 1.434 0 Mild ref EDEARN C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OCC)c1O Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(C)C1=O ZINC000000464686 82/53/54/440825354 GTWKFWXDCLXGPX-GXDHUFHOSA-N -1 345.424 ED 1.088 1 Clean mid EDCAMM Cc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=S)N(C)C1=O Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(C)C1=O ZINC000000464686 82/53/44/440825344 GTWKFWXDCLXGPX-GXDHUFHOSA-N 0 345.424 ED 1.088 0 Clean ref EDCARN Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(C)C1=O Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000000551060 82/94/25/440829425 KYCHDLLWCOJCOC-UHFFFAOYSA-N 0 335.458 ED 1.561 0 Anodyne ref EDAARN Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1 NC(=S)N/N=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000000561573 83/10/09/440831009 RNQNZGDMLGKOCL-AWNIVKPZSA-N 0 333.211 ED 1.046 0 Mild ref EDEARN NC(=S)N/N=C/c1cc(Br)c(N2CCOCC2)o1 CN1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S ZINC000000573025 00/54/15/277005415 BHLKKCLDFOTKSC-QPJJXVBHSA-N -2 341.186 ED 1.411 3 Clean high EDCAHL CN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)C(=O)[N-]C1=S CN1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S ZINC000000573025 00/54/14/277005414 BHLKKCLDFOTKSC-QPJJXVBHSA-N -1 341.186 ED 1.411 1 Clean mid EDCAMM CN1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)[N-]C1=S CN1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S ZINC000000573025 00/54/13/277005413 BHLKKCLDFOTKSC-QPJJXVBHSA-N 0 341.186 ED 1.411 0 Clean ref EDCARN CN1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S CN1C(=O)C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N(C)C1=S ZINC000000573033 83/11/85/440831185 LJRYMGCHYKNKND-FNORWQNLSA-N 0 331.353 ED 1.75 0 Clean ref EDCARN CN1C(=O)C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N(C)C1=S CN1C(=O)C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=S ZINC000000573035 88/14/70/276881470 LHXNFDGSZVTQAW-AATRIKPKSA-N 0 329.425 ED 1.907 0 Clean ref EDCARN CN1C(=O)C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=S CN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(C)C1=S ZINC000000573822 00/60/52/277006052 FOGDRJYYPHWAHK-UHFFFAOYSA-N 0 329.425 ED 1.886 0 Clean ref EDCARN CN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(C)C1=S COc1ccc(-n2c(C)nnc2SCC(=O)N2CCOCC2)cc1 ZINC000000795753 68/66/86/209686686 VFFMYJZIOSFRIJ-UHFFFAOYSA-N 0 348.428 ED 1.535 0 Anodyne ref EDAARN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCOCC2)cc1 CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1OCC ZINC000000858638 83/66/82/440836682 REYMBALFRHVRNR-YRNVUSSQSA-N 0 334.328 ED 1.207 1 Anodyne mid EDAAMN CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1OCC CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1OCC ZINC000000858638 83/66/59/440836659 REYMBALFRHVRNR-YRNVUSSQSA-N -1 334.328 ED 1.207 0 Anodyne ref EDAARM CCOC(=O)COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1OCC C=CCN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)C(=O)NC1=S ZINC000000860104 83/68/81/440836881 YFNZAWLVSGMTHR-FMIVXFBMSA-N -1 346.408 ED 1.825 1 Mild mid EDEAMM C=CCN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)C(=O)[N-]C1=S C=CCN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)C(=O)NC1=S ZINC000000860104 83/68/69/440836869 YFNZAWLVSGMTHR-FMIVXFBMSA-N 0 346.408 ED 1.825 0 Mild ref EDEARN C=CCN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)C(=O)NC1=S C#CCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O ZINC000001005889 69/87/24/209698724 DBXOLPKJMLCCDY-MDWZMJQESA-N 0 346.364 ED 1.229 0 Mild ref EDEARN C#CCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O COC(=O)C1=C(C)Nc2ncnn2[C@@H]1/C=C/c1ccc([N+](=O)[O-])o1 ZINC000001066070 83/89/30/440838930 DELJTDIOLUXRNW-RXNUUUNCSA-N 0 331.288 ED 1.906 0 Bother ref EDBARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1/C=C/c1ccc([N+](=O)[O-])o1 COC(=O)C1=C(C)Nc2ncnn2[C@H]1/C=C/c1ccc([N+](=O)[O-])o1 ZINC000001066073 83/83/46/440838346 DELJTDIOLUXRNW-GFAPAMAISA-N 0 331.288 ED 1.906 0 Bother ref EDBARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1/C=C/c1ccc([N+](=O)[O-])o1 C#CCN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000001161431 71/41/72/209714172 MKMSUCWTDQATCZ-UKTHLTGXSA-N 0 327.365 ED 1.546 0 Mild ref EDEARN C#CCN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O CCOC(=O)CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O ZINC000001167335 71/42/23/209714223 JNTCUITZVXIQTD-XFFZJAGNSA-N -1 335.337 ED 1.984 0 Anodyne ref EDAARM CCOC(=O)CN1C(=O)S/C(=C\c2ccc(C(=O)[O-])cc2)C1=O CCOC(=O)CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])o2)C1=O ZINC000001561293 51/08/60/201510860 CCMMTNSDHSJGCG-YVMONPNESA-N 0 326.286 ED 1.787 0 Bother ref EDBARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])o2)C1=O COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)O ZINC000002119631 85/75/67/440857567 ZJCFLSBLFPKYFS-WDZFZDKYSA-N -1 339.394 ED 1.99 0 Clean ref EDCARM COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)[O-] C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC ZINC000002192952 82/96/57/209829657 JESQBSWHCSAMES-MDWZMJQESA-N -1 347.348 ED 1.828 0 Mild ref EDEARM C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OC COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)O)C1=O)OCO2 ZINC000002403547 86/18/72/440861872 KYROCLZZADEPQF-QDEBKDIKSA-N -1 337.309 ED 1.545 0 Anodyne ref EDAARM COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O)OCO2 Cc1cc(Br)c2c(c1)[C@](O)(N1CCOCC1)C(=O)N2 ZINC000002602845 86/61/33/440866133 CLPOYVVZGWRSFA-CYBMUJFWSA-N 0 327.178 ED 1.187 0 Anodyne ref EDAARN Cc1cc(Br)c2c(c1)[C@](O)(N1CCOCC1)C(=O)N2 NC(=S)N/N=C/c1cc(Br)c(Br)o1 ZINC000002809853 87/94/18/440879418 UETQBSZDSYSNIK-WTDSWWLTSA-N 0 327.001 ED 1.972 0 Mild ref EDEARN NC(=S)N/N=C/c1cc(Br)c(Br)o1 CN1C(=O)/C(=C\NCCc2c[nH]c3ccccc23)C(=O)NC1=S ZINC000002825672 87/89/86/440878986 MINFYKLZNWMJLE-XFXZXTDPSA-N -1 328.397 ED 1.057 1 Clean mid EDCAMM CN1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)[N-]C1=S CN1C(=O)/C(=C\NCCc2c[nH]c3ccccc23)C(=O)NC1=S ZINC000002825672 87/89/72/440878972 MINFYKLZNWMJLE-XFXZXTDPSA-N 0 328.397 ED 1.057 0 Clean ref EDCARN CN1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)NC1=S COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1OC ZINC000002831577 87/88/84/440878884 JPPXVMOFTVFVIV-UHFFFAOYSA-N 0 334.328 ED 1.146 0 Clean ref EDCARN COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1OC COCc1c(C#N)c(Sc2nnc(N)s2)nc(C)c1[N+](=O)[O-] ZINC000002873628 88/22/11/440882211 YUVOWVMDSVHDSH-UHFFFAOYSA-N 0 338.374 ED 1.901 0 Mild ref EDEARN COCc1c(C#N)c(Sc2nnc(N)s2)nc(C)c1[N+](=O)[O-] COC(=O)c1ccccc1NC(=O)CSc1ncc(C#N)c(N)n1 ZINC000002874619 93/42/44/209934244 REDLAUFMTOUBDC-UHFFFAOYSA-N 0 343.368 ED 1.448 0 Mild ref EDEARN COC(=O)c1ccccc1NC(=O)CSc1ncc(C#N)c(N)n1 CCCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000002882446 88/28/86/440882886 VBSJWLNNGNQUTM-UHFFFAOYSA-N 0 347.327 ED 1.817 0 Clean ref EDCARN CCCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=O)N(C)C1=O C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br ZINC000002883843 88/20/83/440882083 IPMSVRSPINAKPN-UHFFFAOYSA-N -1 349.14 ED 1.21 1 Mild mid EDEAMM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br ZINC000002883843 88/20/78/440882078 IPMSVRSPINAKPN-UHFFFAOYSA-N -1 349.14 ED 1.21 1 Mild mid EDEAMM C#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br ZINC000002883843 88/20/73/440882073 IPMSVRSPINAKPN-UHFFFAOYSA-N 0 349.14 ED 1.21 1 Mild mid EDEAMN C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br ZINC000002883843 88/20/63/440882063 IPMSVRSPINAKPN-UHFFFAOYSA-N -1 349.14 ED 1.21 0 Mild ref EDEARM C#CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br O=C1NC(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N1 ZINC000002891471 88/23/18/440882318 REOBGWBQLJKHPG-UHFFFAOYSA-N -1 326.264 ED 1.394 1 Clean mid EDCAMM O=C1NC(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N1 O=C1NC(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N1 ZINC000002891471 88/23/06/440882306 REOBGWBQLJKHPG-UHFFFAOYSA-N -2 326.264 ED 1.394 0 Clean ref EDCARL O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N1 C=CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC ZINC000002933344 88/48/21/440884821 XUQGFZUWJVFMOH-UHFFFAOYSA-N 0 330.34 ED 1.694 0 Mild ref EDEARN C=CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC CN1C(=O)C(=Cc2ccc(O)c(Br)c2)C(=O)N(C)C1=O ZINC000002936922 00/62/20/277006220 DANPUINAMIYZNU-UHFFFAOYSA-N -1 339.145 ED 1.588 1 Clean mid EDCAMM CN1C(=O)C(=Cc2ccc([O-])c(Br)c2)C(=O)N(C)C1=O CN1C(=O)C(=Cc2ccc(O)c(Br)c2)C(=O)N(C)C1=O ZINC000002936922 00/62/17/277006217 DANPUINAMIYZNU-UHFFFAOYSA-N 0 339.145 ED 1.588 0 Clean ref EDCARN CN1C(=O)C(=Cc2ccc(O)c(Br)c2)C(=O)N(C)C1=O C=CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC ZINC000002972420 88/40/04/440884004 ZFYYYYHPWZYWRT-UHFFFAOYSA-N 0 346.408 ED 1.859 0 Mild ref EDEARN C=CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC C#CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC ZINC000002975157 94/85/83/209948583 IQBGJHCFEDIIKO-UHFFFAOYSA-N 0 344.392 ED 1.306 0 Mild ref EDEARN C#CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC Cc1c(/C=C2/C(=O)NC(=O)N=C2O)c(=O)n(-c2ccccc2)n1C ZINC000002981574 88/63/64/440886364 NKPQANDNJFQHDW-UHFFFAOYSA-N 0 326.312 ED 1.074 1 Clean mid EDCAMN Cc1c(C=C2C(=O)NC(=O)NC2=O)c(=O)n(-c2ccccc2)n1C Cc1c(/C=C2/C(=O)NC(=O)N=C2O)c(=O)n(-c2ccccc2)n1C ZINC000002981574 88/63/55/440886355 NKPQANDNJFQHDW-UHFFFAOYSA-N -1 326.312 ED 1.074 0 Clean ref EDCARM Cc1c(C=C2C(=O)[N-]C(=O)NC2=O)c(=O)n(-c2ccccc2)n1C CN1C(=O)C(=Cc2ccc(Br)s2)C(=O)N(C)C1=O ZINC000002981864 00/60/63/277006063 BKCCWQPMNDLTHX-UHFFFAOYSA-N 0 329.175 ED 1.944 0 Clean ref EDCARN CN1C(=O)C(=Cc2ccc(Br)s2)C(=O)N(C)C1=O CN1C(=O)C(=Cc2cc(O)ccc2Br)C(=O)N(C)C1=O ZINC000003001194 88/57/93/440885793 ZKSWUMDGRFQCEP-UHFFFAOYSA-N -1 339.145 ED 1.588 3 Clean high EDCAHM CN1C(=O)C(=Cc2cc([O-])ccc2Br)C(=O)N(C)C1=O CN1C(=O)C(=Cc2cc(O)ccc2Br)C(=O)N(C)C1=O ZINC000003001194 88/57/86/440885786 ZKSWUMDGRFQCEP-UHFFFAOYSA-N 0 339.145 ED 1.588 0 Clean ref EDCARN CN1C(=O)C(=Cc2cc(O)ccc2Br)C(=O)N(C)C1=O CCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000003003933 88/58/33/440885833 YFKSPOFFCZSKBF-UHFFFAOYSA-N 0 333.3 ED 1.427 0 Clean ref EDCARN CCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=O)N(C)C1=O O=C1CS/C(=N\N=C2/C(=O)Nc3ccc(Br)cc32)N1 ZINC000003030101 34/16/65/296341665 ZIPRDSPIYHNIRW-UHFFFAOYSA-N -1 339.174 ED 1.324 3 Mild high EDEAHM O=C1CS/C(=N\N=C2/C(=O)Nc3ccc(Br)cc32)[N-]1 O=C1CS/C(=N\N=C2/C(=O)Nc3ccc(Br)cc32)N1 ZINC000003030101 34/16/60/296341660 ZIPRDSPIYHNIRW-UHFFFAOYSA-N 0 339.174 ED 1.324 0 Mild ref EDEARN O=C1CS/C(=N\N=C2/C(=O)Nc3ccc(Br)cc32)N1 O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000003067010 88/79/68/440887968 JOPLTDUDAJXIAC-UHFFFAOYSA-N -1 326.721 ED 1.075 1 Clean mid EDCAMM O=C1[N-]C(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1Cl O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000003067010 88/79/61/440887961 JOPLTDUDAJXIAC-UHFFFAOYSA-N 0 326.721 ED 1.075 0 Clean ref EDCARN O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1Cl CCOc1ccc(Br)c(C=C2C(=O)NC(=O)NC2=O)c1 ZINC000003460741 90/05/13/440900513 RVQGEVROOSRATG-UHFFFAOYSA-N -1 339.145 ED 1.597 1 Clean mid EDCAMM CCOc1ccc(Br)c(/C=C2/C(=O)[N-]C(=O)NC2=O)c1 CCOc1ccc(Br)c(C=C2C(=O)NC(=O)NC2=O)c1 ZINC000003460741 90/05/09/440900509 RVQGEVROOSRATG-UHFFFAOYSA-N -1 339.145 ED 1.597 1 Clean mid EDCAMM CCOc1ccc(Br)c(/C=C2\C(=O)[N-]C(=O)NC2=O)c1 CCOc1ccc(Br)c(C=C2C(=O)NC(=O)NC2=O)c1 ZINC000003460741 90/05/04/440900504 RVQGEVROOSRATG-UHFFFAOYSA-N 0 339.145 ED 1.597 1 Clean mid EDCAMN CCOc1ccc(Br)c(C=C2C(=O)NC(=O)NC2=O)c1 CCOc1ccc(Br)c(C=C2C(=O)NC(=O)NC2=O)c1 ZINC000003460741 90/05/00/440900500 RVQGEVROOSRATG-UHFFFAOYSA-N -1 339.145 ED 1.597 0 Clean ref EDCARM CCOc1ccc(Br)c(C=C2C(=O)[N-]C(=O)NC2=O)c1 CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCC#N ZINC000003771452 07/47/09/210074709 QOQFTTTUBJNJSA-DHZHZOJOSA-N -1 345.38 ED 1.244 1 Mild mid EDEAMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCC#N CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCC#N ZINC000003771452 07/47/02/210074702 QOQFTTTUBJNJSA-DHZHZOJOSA-N 0 345.38 ED 1.244 0 Mild ref EDEARN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)ccc1OCC#N COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 ZINC000004091826 05/08/08/258050808 APVVGFGKGAETPF-GXDHUFHOSA-N -1 341.392 ED 1.742 1 Clean mid EDCAMM COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1 COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 ZINC000004091826 05/08/06/258050806 APVVGFGKGAETPF-GXDHUFHOSA-N 0 341.392 ED 1.742 0 Clean ref EDCARN COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(C)C2=O)cc1