O=Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000294763 69/32/08/401693208 BUTMCURSIAXIDP-UHFFFAOYSA-N 0 300.27 DE 2.425 0 Bother ref DEBARN O=Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=Cc1cn(CC(=O)NC2CC2)c2ccc(Br)cc12 ZINC000000316406 75/72/95/180757295 MBYYZGGDDKKWPL-UHFFFAOYSA-N 0 321.174 DE 2.495 0 Anodyne ref DEAARN O=Cc1cn(CC(=O)NC2CC2)c2ccc(Br)cc12 Nc1c(C(=O)OCc2ccccc2)nc(-c2ccccc2)c[n+]1[O-] ZINC000000331507 61/25/19/190612519 FSXNYYXSUGUICL-UHFFFAOYSA-N 0 321.336 DE 2.321 0 Anodyne ref DEAARN Nc1c(C(=O)OCc2ccccc2)nc(-c2ccccc2)c[n+]1[O-] CCOC(=O)C1=C(C)N(C)C(=O)N(C=O)[C@H]1c1ccccc1 ZINC000000333452 69/44/93/401694493 DSVJMMUDPYHFOZ-AWEZNQCLSA-N 0 302.33 DE 2.089 0 Anodyne ref DEAARN CCOC(=O)C1=C(C)N(C)C(=O)N(C=O)[C@H]1c1ccccc1 CCOC(=O)C1=C(C)N(C)C(=O)N(C=O)[C@@H]1c1ccccc1 ZINC000000333454 69/50/41/401695041 DSVJMMUDPYHFOZ-CQSZACIVSA-N 0 302.33 DE 2.089 0 Anodyne ref DEAARN CCOC(=O)C1=C(C)N(C)C(=O)N(C=O)[C@@H]1c1ccccc1 O=c1[nH]cc(-c2cc(Cl)cc(Br)c2)c(=O)[nH]1 ZINC000000334579 20/11/70/285201170 CFQYQUBPEREUGR-UHFFFAOYSA-N -1 301.527 DE 2.146 3 Anodyne high DEAAHM O=c1[n-]c(=O)c(-c2cc(Cl)cc(Br)c2)c[nH]1 O=c1[nH]cc(-c2cc(Cl)cc(Br)c2)c(=O)[nH]1 ZINC000000334579 20/11/60/285201160 CFQYQUBPEREUGR-UHFFFAOYSA-N 0 301.527 DE 2.146 0 Anodyne ref DEAARN O=c1[nH]cc(-c2cc(Cl)cc(Br)c2)c(=O)[nH]1 O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000334805 09/62/07/304096207 KKRVOLQYNMANNM-ZDUSSCGKSA-N -1 300.27 DE 2.151 0 Bother ref DEBARM O=C(N[C@H](C(=O)[O-])c1ccccc1)c1ccc([N+](=O)[O-])cc1 O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000334808 17/31/63/304173163 KKRVOLQYNMANNM-CYBMUJFWSA-N -1 300.27 DE 2.151 0 Bother ref DEBARM O=C(N[C@@H](C(=O)[O-])c1ccccc1)c1ccc([N+](=O)[O-])cc1 COc1cc(C=O)cc(I)c1OC(C)=O ZINC000000336061 76/05/61/180760561 KXJCBGCRUMRKIB-UHFFFAOYSA-N 0 320.082 DE 2.038 0 Anodyne ref DEAARN COc1cc(C=O)cc(I)c1OC(C)=O CCOc1cc(C=O)c(Br)cc1OCC(=O)O ZINC000000336069 69/53/07/401695307 OHTAODBDCAKZJM-UHFFFAOYSA-N -1 303.108 DE 2.124 0 Anodyne ref DEAARM CCOc1cc(C=O)c(Br)cc1OCC(=O)[O-] COc1cc(OC)c(C(C)=O)c(O)c1I ZINC000000336321 76/09/79/180760979 KYCCCHDGSOOVLE-UHFFFAOYSA-N -1 322.098 DE 2.217 3 Anodyne high DEAAHM COc1cc(OC)c(C(C)=O)c([O-])c1I COc1cc(OC)c(C(C)=O)c(O)c1I ZINC000000336321 76/09/78/180760978 KYCCCHDGSOOVLE-UHFFFAOYSA-N 0 322.098 DE 2.217 0 Anodyne ref DEAARN COc1cc(OC)c(C(C)=O)c(O)c1I CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)cc1 ZINC000000495501 80/75/69/180807569 YZSCTNNFIRCYLX-CYBMUJFWSA-N 0 306.387 DE 2.051 0 Anodyne ref DEAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC)cc1 CCOC(=O)Cc1c(C)c2ccc(OC(C)=O)cc2oc1=O ZINC000000517143 70/00/09/401700009 HHPQAKWGVPCDQI-UHFFFAOYSA-N 0 304.298 DE 2.132 0 Anodyne ref DEAARN CCOC(=O)Cc1c(C)c2ccc(OC(C)=O)cc2oc1=O O=Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000001909003 71/11/69/401711169 YBFIAWUWRLORDN-UHFFFAOYSA-N 0 320.322 DE 2.038 0 Anodyne ref DEAARN O=Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 O=S=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000002023015 90/62/14/180906214 BIQRUDKLALMWBG-UHFFFAOYSA-N 0 304.283 DE 2.285 0 Clean ref DECARN O=S=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccncc1 ZINC000002026050 71/16/04/401711604 TUAYNSDSYOYWSJ-UHFFFAOYSA-N 0 303.749 DE 2.298 0 Anodyne ref DEAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccncc1 COc1cc2nc(Cl)nc(N3CCOCC3)c2cc1OC ZINC000002026589 71/15/96/401711596 WTXAUEOICBJOQY-UHFFFAOYSA-N 0 309.753 DE 2.137 0 Anodyne ref DEAARN COc1cc2nc(Cl)nc(N3CCOCC3)c2cc1OC O=Cc1scc(C(=O)O)c1-c1c(C(=O)O)csc1C=O ZINC000002026886 71/15/13/401711513 GSVMNMBCNQBHGI-UHFFFAOYSA-N -2 310.308 DE 2.498 0 Anodyne ref DEAARL O=Cc1scc(C(=O)[O-])c1-c1c(C(=O)[O-])csc1C=O OCCNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000002028382 71/14/15/401711415 KLQDUXZMFKVVGX-UHFFFAOYSA-N 1 314.393 DE 2.01 2 Anodyne low DEAALO OCCNc1nc(Nc2ccccc2)nc(N2CCCCC2)[nH+]1 OCCNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000002028382 71/14/10/401711410 KLQDUXZMFKVVGX-UHFFFAOYSA-N 0 314.393 DE 2.01 0 Anodyne ref DEAARN OCCNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 COc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2OC)cc1 ZINC000002028628 71/17/70/401711770 WNSFUBYFOREMRD-UHFFFAOYSA-N 0 322.338 DE 2.284 0 Anodyne ref DEAARN COc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2OC)cc1 CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2)cc1 ZINC000002028636 71/15/39/401711539 UJDZRORFHYYPJG-UHFFFAOYSA-N 0 319.338 DE 2.225 0 Anodyne ref DEAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2)cc1 Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccncc1 ZINC000002028726 71/17/14/401711714 NOEDKCCVZKBCRS-UHFFFAOYSA-N 0 303.749 DE 2.298 0 Anodyne ref DEAARN Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccncc1 O=[N+]([O-])c1cc(-c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000002029420 71/16/78/401711678 JOJGLUOKOZOMMJ-UHFFFAOYSA-N 0 312.245 DE 2.146 0 Bother ref DEBARN O=[N+]([O-])c1cc(-c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 CCOC(=O)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000002469007 71/40/89/401714089 QMYJBBSLEOXIGT-UHFFFAOYSA-N 0 321.192 DE 2.176 0 Anodyne ref DEAARN CCOC(=O)CCS(=O)(=O)c1ccc(Br)cc1 N/C(=N/C(=O)c1cc(Cl)ccc1O)NCCc1ccccc1 ZINC000004087190 80/03/18/526800318 BNGHTGAOZUJLCR-UHFFFAOYSA-N 0 317.776 DE 2.333 2 Mild low DEEALN NC(=NC(=O)c1cc(Cl)ccc1O)NCCc1ccccc1 N/C(=N/C(=O)c1cc(Cl)ccc1O)NCCc1ccccc1 ZINC000004087190 80/03/02/526800302 BNGHTGAOZUJLCR-UHFFFAOYSA-N -1 317.776 DE 2.333 0 Mild ref DEEARM NC(=NC(=O)c1cc(Cl)ccc1[O-])NCCc1ccccc1 COc1cc(C=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000004087947 07/09/56/181070956 OVLPINYGVASZIL-UHFFFAOYSA-N 0 300.266 DE 2.456 0 Anodyne ref DEAARN COc1cc(C=O)ccc1OC(=O)c1ccc2c(c1)OCO2 Cc1sc([N+](=O)[O-])c(I)c1[N+](=O)[O-] ZINC000004099272 72/56/14/401725614 WMUAVLUEXWXEKU-UHFFFAOYSA-N 0 314.06 DE 2.478 0 Bother ref DEBARN Cc1sc([N+](=O)[O-])c(I)c1[N+](=O)[O-] COc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2N)cc1 ZINC000005175306 21/33/74/181213374 GVRLBGUIJVWUIG-PTNGSMBKSA-N -1 308.341 DE 2.31 3 Clean high DECAHM COc1ccc(N=Cc2c(N)[n-]n(-c3ccccc3)c2=O)cc1 COc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2N)cc1 ZINC000005175306 21/33/73/181213373 GVRLBGUIJVWUIG-PTNGSMBKSA-N 0 308.341 DE 2.31 1 Clean mid DECAMN COc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2N)cc1 COc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2N)cc1 ZINC000005175306 21/33/72/181213372 GVRLBGUIJVWUIG-PTNGSMBKSA-N 0 308.341 DE 2.31 0 Clean ref DECARN COc1ccc(N=Cc2c(N)[nH]n(-c3ccccc3)c2=O)cc1 O=c1[nH]cnc2nc(-c3ccc(Br)cc3)cnc12 ZINC000006557421 38/81/78/280388178 KXDHCLXYGCCQAL-UHFFFAOYSA-N -1 303.119 DE 2.143 3 Anodyne high DEAAHM O=c1[n-]cnc2nc(-c3ccc(Br)cc3)cnc12 O=c1[nH]cnc2nc(-c3ccc(Br)cc3)cnc12 ZINC000006557421 38/81/75/280388175 KXDHCLXYGCCQAL-UHFFFAOYSA-N 0 303.119 DE 2.143 0 Anodyne ref DEAARN O=c1[nH]cnc2nc(-c3ccc(Br)cc3)cnc12 CC1(C)CC(=O)C(SC(=S)N2CCOCC2)=C(O)C1 ZINC000006666761 99/75/29/353997529 QUKQEOGOSNQYBD-UHFFFAOYSA-N -1 301.433 DE 2.495 0 Anodyne ref DEAARM CC1(C)CC(=O)C(SC(=S)N2CCOCC2)=C([O-])C1 CS(=O)(=O)/C=C(\I)c1ccccc1 ZINC000016954657 06/55/66/182065566 UUVVDTGLPNOXFB-CLFYSBASSA-N 0 308.14 DE 2.465 0 Anodyne ref DEAARN CS(=O)(=O)/C=C(\I)c1ccccc1 COC(=O)c1cc(I)c(N)cc1Cl ZINC000017111364 15/20/63/277152063 ACKIVQFMUDRNPN-UHFFFAOYSA-N 0 311.506 DE 2.313 0 Anodyne ref DEAARN COC(=O)c1cc(I)c(N)cc1Cl CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)cc1 ZINC000018116313 82/14/32/401821432 YZSCTNNFIRCYLX-ZDUSSCGKSA-N 0 306.387 DE 2.051 0 Anodyne ref DEAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC)cc1 COCCNC(=O)c1ccc(OC)c(-c2ccc(F)cc2)n1 ZINC000019872913 15/92/64/182159264 VAZVSLRRCXGJJV-UHFFFAOYSA-N 0 304.321 DE 2.272 0 Anodyne ref DEAARN COCCNC(=O)c1ccc(OC)c(-c2ccc(F)cc2)n1 COc1ccc(C(=O)N2CCOCC2)nc1-c1ccc(F)cc1 ZINC000019872963 15/87/82/182158782 ZCVQAMUGIBRLLH-UHFFFAOYSA-N 0 316.332 DE 2.369 0 Anodyne ref DEAARN COc1ccc(C(=O)N2CCOCC2)nc1-c1ccc(F)cc1 COc1ccc(/C=C2\C(=O)C3CCN2CC3)c(OC)c1OC ZINC000032511734 41/57/85/523415785 LQCSRCSARGNRNK-JLHYYAGUSA-N 0 303.358 DE 2.348 0 Mild ref DEEARN COc1ccc(/C=C2\C(=O)C3CCN2CC3)c(OC)c1OC Brc1ccc(-n2nnnc2/C=C/N2CCCC2)cc1 ZINC000055116698 07/60/38/402076038 QAMYROOBWWETBI-JXMROGBWSA-N 1 320.194 DE 2.491 2 Anodyne low DEAALO Brc1ccc(-n2nnnc2/C=C/[NH+]2CCCC2)cc1 Brc1ccc(-n2nnnc2/C=C/N2CCCC2)cc1 ZINC000055116698 07/60/34/402076034 QAMYROOBWWETBI-JXMROGBWSA-N 0 320.194 DE 2.491 0 Anodyne ref DEAARN Brc1ccc(-n2nnnc2/C=C/N2CCCC2)cc1 CCc1c(C(=O)O)nnn1-c1ccc(OC(F)(F)F)cc1 ZINC000067323656 15/67/03/402156703 ZZKLEVJWNNKNRE-UHFFFAOYSA-N -1 301.224 DE 2.427 0 Anodyne ref DEAARM CCc1c(C(=O)[O-])nnn1-c1ccc(OC(F)(F)F)cc1 CS(=O)(=O)OCCCN1C(=O)c2cccc3cccc1c23 ZINC000068675256 20/37/37/402203737 DBHDQUIUUFJWHG-UHFFFAOYSA-N 0 305.355 DE 2.166 0 Mild ref DEEARN CS(=O)(=O)OCCCN1C(=O)c2cccc3cccc1c23 Nc1c(Br)cc(CC(=O)O)cc1Br ZINC000071404320 54/29/07/262542907 KIYIWMWVYLKCAZ-UHFFFAOYSA-N -1 308.957 DE 2.421 0 Anodyne ref DEAARM Nc1c(Br)cc(CC(=O)[O-])cc1Br N/C(=C\c1nnc(S)n1-c1ccccc1)N1CCCCC1 ZINC000100715933 14/21/78/402142178 CUFPBTCKNBTGOR-ACCUITESSA-N 1 301.419 DE 2.299 1 Anodyne mid DEAAMO NC(=CC1N=NC(=S)N1c1ccccc1)[NH+]1CCCCC1 N/C(=C\c1nnc(S)n1-c1ccccc1)N1CCCCC1 ZINC000100715933 14/21/77/402142177 CUFPBTCKNBTGOR-ACCUITESSA-N 0 301.419 DE 2.299 0 Anodyne ref DEAARN NC(=CC1N=NC(=S)N1c1ccccc1)N1CCCCC1 O=[N+]([O-])c1ccc(OP2(=O)OCCCO2)c([N+](=O)[O-])c1 ZINC000169401373 58/86/24/256588624 ASSKIDKWIZITRE-UHFFFAOYSA-N 0 304.151 DE 2.427 0 Bother ref DEBARN O=[N+]([O-])c1ccc(OP2(=O)OCCCO2)c([N+](=O)[O-])c1