COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000065473 61/87/76/406618776 CIBVLNVBSOKSSA-GFCCVEGCSA-N 0 315.289 DD 1.648 0 Bother ref DDBARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000065475 92/43/24/290924324 CIBVLNVBSOKSSA-LBPRGKRZSA-N 0 315.289 DD 1.648 0 Bother ref DDBARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Cl)cc1 ZINC000000065625 92/41/49/290924149 DZGNVWGIODILIW-LLVKDONJSA-N 0 305.725 DD 1.788 0 Anodyne ref DDAARN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(Cl)cc1 COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Cl)cc1 ZINC000000065627 61/73/38/406617338 DZGNVWGIODILIW-NSHDSACASA-N 0 305.725 DD 1.788 0 Anodyne ref DDAARN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(Cl)cc1 CCN1C(=O)C(=Cc2ccc(O)cc2)C(=O)N(CC)C1=S ZINC000000069233 14/57/25/276145725 LWBCHHQJCGMWPS-UHFFFAOYSA-N 0 304.371 DD 1.771 0 Clean ref DDCARN CCN1C(=O)C(=Cc2ccc(O)cc2)C(=O)N(CC)C1=S COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000071011 74/41/11/283744111 MXNZAGCNJDBAQG-LLVKDONJSA-N 0 316.277 DD 1.043 0 Bother ref DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000071013 92/48/21/290924821 MXNZAGCNJDBAQG-NSHDSACASA-N 0 316.277 DD 1.043 0 Bother ref DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc([N+](=O)[O-])cc1 COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000071016 61/86/90/406618690 JBIYEDHAISFPCC-LLVKDONJSA-N 0 316.277 DD 1.043 0 Bother ref DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccccc1[N+](=O)[O-] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000071022 92/48/74/290924874 JBIYEDHAISFPCC-NSHDSACASA-N 0 316.277 DD 1.043 0 Bother ref DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccccc1[N+](=O)[O-] CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)Nc2nnnn21 ZINC000000071048 58/28/49/286582849 UFLQLWWCUZMUNE-ZDUSSCGKSA-N 0 315.333 DD 1.534 0 Anodyne ref DDAARN CCOc1ccccc1[C@H]1C(C(=O)OC)C(C)=Nc2nnnn21 CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)Nc2nnnn21 ZINC000000071051 61/75/76/406617576 UFLQLWWCUZMUNE-CYBMUJFWSA-N 0 315.333 DD 1.534 0 Anodyne ref DDAARN CCOc1ccccc1[C@@H]1C(C(=O)OC)C(C)=Nc2nnnn21 COc1cc(Br)cc(/C=C2/NC(=O)NC2=O)c1O ZINC000000072244 61/82/28/406618228 KLHWKHGRGPUWOG-XVNBXDOJSA-N 0 313.107 DD 1.344 1 Anodyne mid DDAAMN COc1cc(Br)cc(/C=C2/NC(=O)NC2=O)c1O COc1cc(Br)cc(/C=C2/NC(=O)NC2=O)c1O ZINC000000072244 61/82/20/406618220 KLHWKHGRGPUWOG-XVNBXDOJSA-N -1 313.107 DD 1.344 0 Anodyne ref DDAARM COc1cc(Br)cc(/C=C2/NC(=O)[N-]C2=O)c1O O=C1NC(=O)/C(=C\c2cc3c(cc2Br)OCO3)N1 ZINC000000073227 35/63/80/296356380 SHIUIRCHXDVEPW-LREOWRDNSA-N 0 311.091 DD 1.358 1 Anodyne mid DDAAMN O=C1NC(=O)/C(=C\c2cc3c(cc2Br)OCO3)N1 O=C1NC(=O)/C(=C\c2cc3c(cc2Br)OCO3)N1 ZINC000000073227 35/63/78/296356378 SHIUIRCHXDVEPW-LREOWRDNSA-N -1 311.091 DD 1.358 0 Anodyne ref DDAARM O=C1[N-]C(=O)/C(=C\c2cc3c(cc2Br)OCO3)N1 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCC)c1O ZINC000000086405 62/12/65/406621265 LQFBQQMRNINMBD-ZDUSSCGKSA-N 0 320.345 DD 1.982 0 Clean ref DDCARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCC)c1O CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCC)c1O ZINC000000086410 62/09/42/406620942 LQFBQQMRNINMBD-CYBMUJFWSA-N 0 320.345 DD 1.982 0 Clean ref DDCARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCC)c1O COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(=O)O)cc1 ZINC000000086665 68/80/71/180688071 ASZCSLUPXWBNGZ-GFCCVEGCSA-N -1 304.302 DD 1.528 0 Anodyne ref DDAARM COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(=O)[O-])cc1 COCc1cc(C)nc2sc(C(=O)N3CCOCC3)c(N)c12 ZINC000000095080 69/03/77/180690377 LFCXZJGPIQYMMB-UHFFFAOYSA-N 0 321.402 DD 1.806 0 Anodyne ref DDAARN COCc1cc(C)nc2sc(C(=O)N3CCOCC3)c(N)c12 CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O ZINC000000105173 69/46/66/180694666 AGPYGZLOVBTJID-UHFFFAOYSA-N 0 320.37 DD 1.39 0 Clean ref DDCARN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)c1 ZINC000000105180 62/16/21/406621621 MRUUDQXGOALDJJ-UHFFFAOYSA-N 0 304.371 DD 1.602 0 Clean ref DDCARN COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)c1 NC(=S)N/N=C/c1ccc(O)c(I)c1 ZINC000000131366 11/03/60/527110360 QNJPHLHLEBATCS-NYYWCZLTSA-N -1 321.143 DD 1.164 3 Mild high DDEAHM NC(=S)N/N=C/c1ccc([O-])c(I)c1 NC(=S)N/N=C/c1ccc(O)c(I)c1 ZINC000000131366 11/03/36/527110336 QNJPHLHLEBATCS-NYYWCZLTSA-N 0 321.143 DD 1.164 0 Mild ref DDEARN NC(=S)N/N=C/c1ccc(O)c(I)c1 COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000311295 63/89/91/406638991 YFCVTMDCRYHITE-GFCCVEGCSA-N 0 320.37 DD 1.439 0 Anodyne ref DDAARN COC(=O)c1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OC)cc1 COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(=O)OC)cc1 ZINC000000311296 64/03/96/406640396 YFCVTMDCRYHITE-LBPRGKRZSA-N 0 320.37 DD 1.439 0 Anodyne ref DDAARN COC(=O)c1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1 COc1ccc(/C=C/C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000000311651 86/79/77/277867977 SNWSLOFPOOSCPR-SNAWJCMRSA-N 0 300.314 DD 1.685 0 Clean ref DDCARN COc1ccc(/C=C/C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 CN1C(=O)C(=Cc2ccc(N3CCCC3)o2)C(=O)N(C)C1=S ZINC000000331932 61/27/55/190612755 VEZLTGUHYXVVTE-UHFFFAOYSA-N 0 319.386 DD 1.479 0 Clean ref DDCARN CN1C(=O)C(=Cc2ccc(N3CCCC3)o2)C(=O)N(C)C1=S O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1n1cnnc1 ZINC000000344591 01/82/10/285018210 FPDQCEWMGAIWNW-UHFFFAOYSA-N 0 309.241 DD 1.272 0 Bother ref DDBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1n1cnnc1 CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000000355206 64/25/32/406642532 AYZJUWCHDATVDN-AWEZNQCLSA-N 0 320.345 DD 1.895 0 Anodyne ref DDAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000000355211 64/26/12/406642612 AYZJUWCHDATVDN-CQSZACIVSA-N 0 320.345 DD 1.895 0 Anodyne ref DDAARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000365685 64/32/62/406643262 MAJAZBKABNLICD-CYBMUJFWSA-N 0 318.329 DD 1.616 0 Anodyne ref DDAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 ZINC000000365687 64/15/22/406641522 MAJAZBKABNLICD-ZDUSSCGKSA-N 0 318.329 DD 1.616 0 Anodyne ref DDAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000000367954 64/21/95/406642195 CFBZGSGVFVJWSV-UHFFFAOYSA-N -1 310.762 DD 1.653 1 Clean mid DDCAMM CCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000000367954 64/21/83/406642183 CFBZGSGVFVJWSV-UHFFFAOYSA-N 0 310.762 DD 1.653 0 Clean ref DDCARN CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000000429552 03/23/93/278032393 OHIICUICPSYUPE-UHFFFAOYSA-N 0 308.403 DD 1.77 0 Anodyne ref DDAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 CN1C(=O)NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000000441226 85/07/38/289850738 DWEWPNFBSVEDFM-QHHAFSJGSA-N 0 315.112 DD 1.791 2 Clean low DDCALN CN1C(=O)NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O CN1C(=O)NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000000441226 85/07/37/289850737 DWEWPNFBSVEDFM-QHHAFSJGSA-N -1 315.112 DD 1.791 1 Clean mid DDCAMM CN1C(=O)NC(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O CN1C(=O)NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000000441226 85/07/36/289850736 DWEWPNFBSVEDFM-QHHAFSJGSA-N -2 315.112 DD 1.791 0 Clean ref DDCARL CN1C(=O)[N-]C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O CN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)N(C)C1=S ZINC000000450870 46/25/57/331462557 VDXKNIDQEOUSRY-UHFFFAOYSA-N 0 313.382 DD 1.777 0 Clean ref DDCARN CN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)N(C)C1=S CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000000450942 64/87/21/406648721 PSGLKWWAGWRXFD-UHFFFAOYSA-N 0 304.371 DD 1.684 0 Clean ref DDCARN CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1C ZINC000000451295 88/48/67/277884867 AQDJMKGZTICHOP-UHFFFAOYSA-N 0 304.371 DD 1.602 0 Clean ref DDCARN COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1C C=CCc1cc(/C=N/n2cnnc2)cc(OC)c1OCC(=O)O ZINC000000452343 64/80/80/406648080 CNPABFMTYXNICL-CNHKJKLMSA-N -1 316.317 DD 1.361 0 Mild ref DDEARM C=CCc1cc(/C=N/n2cnnc2)cc(OC)c1OCC(=O)[O-] O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1ccc(F)cc1 ZINC000000453797 64/68/29/406646829 ICBZNINBNWNBBN-UHFFFAOYSA-N -1 315.329 DD 1.531 1 Clean mid DDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccn1-c1ccc(F)cc1 O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1ccc(F)cc1 ZINC000000453797 64/68/13/406646813 ICBZNINBNWNBBN-UHFFFAOYSA-N 0 315.329 DD 1.531 0 Clean ref DDCARN O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1ccc(F)cc1 CCOc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OC ZINC000000457855 65/16/34/406651634 ZCZXMQVDTXIHSQ-UHFFFAOYSA-N -1 306.343 DD 1.008 1 Clean mid DDCAMM CCOc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OC CCOc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OC ZINC000000457855 65/16/28/406651628 ZCZXMQVDTXIHSQ-UHFFFAOYSA-N 0 306.343 DD 1.008 0 Clean ref DDCARN CCOc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OC CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1OC ZINC000000457939 65/01/76/406650176 QGFNIRLURATVSY-ZDUSSCGKSA-N 0 320.345 DD 1.895 0 Anodyne ref DDAARN CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1OC CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1OC ZINC000000457940 65/16/42/406651642 QGFNIRLURATVSY-CYBMUJFWSA-N 0 320.345 DD 1.895 0 Anodyne ref DDAARN CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1OC COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000000458368 64/97/97/406649797 GZCLKCYWIIXQKK-GFCCVEGCSA-N 0 321.289 DD 1.404 0 Bother ref DDBARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000000458369 65/05/55/406650555 GZCLKCYWIIXQKK-LBPRGKRZSA-N 0 321.289 DD 1.404 0 Bother ref DDBARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1O ZINC000000458394 79/74/20/180797420 QBZRLBPLFBSDOK-LBPRGKRZSA-N 0 306.318 DD 1.592 0 Clean ref DDCARN CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1O CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1O ZINC000000458396 79/73/58/180797358 QBZRLBPLFBSDOK-GFCCVEGCSA-N 0 306.318 DD 1.592 0 Clean ref DDCARN CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1O C=CCN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O ZINC000000479341 65/16/56/406651656 CRNGIHKHXYNTFG-NTCAYCPXSA-N 0 313.357 DD 1.602 0 Mild ref DDEARN C=CCN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O C=CCN1C(=O)N/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O ZINC000000479379 80/36/79/180803679 GFEGEHRRUBDARE-UXBLZVDNSA-N 0 304.302 DD 1.488 0 Mild ref DDEARN C=CCN1C(=O)N/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O CN1C(=O)C(=Cc2cccn2C(C)(C)C)C(=O)N(C)C1=S ZINC000000525430 79/06/24/289790624 WQLAKFGCBZEATO-UHFFFAOYSA-N 0 305.403 DD 1.842 0 Clean ref DDCARN CN1C(=O)C(=Cc2cccn2C(C)(C)C)C(=O)N(C)C1=S CCc1nc2cc(-c3ccccc3)nn2c2nc(=O)c(C)nn12 ZINC000000527752 81/32/98/180813298 XOECJXSWFBZNCU-UHFFFAOYSA-N 0 306.329 DD 1.67 0 Anodyne ref DDAARN CCc1nc2cc(-c3ccccc3)nn2c2nc(=O)c(C)nn12 Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)cc1 ZINC000000527789 65/22/46/406652246 TZBDFHRFCYIUBR-MRXNPFEDSA-N 0 300.289 DD 1.821 0 Anodyne ref DDAARN Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)cc1 Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(F)cc32)cc1 ZINC000000527791 81/33/46/180813346 TZBDFHRFCYIUBR-INIZCTEOSA-N 0 300.289 DD 1.821 0 Anodyne ref DDAARN Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(F)cc32)cc1 CS(=O)(=O)N1CCc2cc(C(=O)N3CCCCC3)ccc21 ZINC000000527875 65/41/10/406654110 RLJWMGVMORCHKM-UHFFFAOYSA-N 0 308.403 DD 1.635 0 Anodyne ref DDAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCCCC3)ccc21 O=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000000559014 65/66/35/406656635 RMVKNLUZUCFKJF-LZYBPNLTSA-N 0 311.253 DD 1.93 2 Mild low DDEALN O=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)c([N+](=O)[O-])c1 O=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000000559014 65/66/18/406656618 RMVKNLUZUCFKJF-LZYBPNLTSA-N -1 311.253 DD 1.93 0 Mild ref DDEARM O=C1c2ccccc2C(=O)N1/N=C/c1ccc([O-])c([N+](=O)[O-])c1 O=C(Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21)N1CCOCC1 ZINC000000563799 65/65/89/406656589 CGLFKYWFPAAAPW-AATRIKPKSA-N 0 315.329 DD 1.748 0 Bother ref DDBARN O=C(Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21)N1CCOCC1 O=C1NC(=O)/C(=C\c2ccc(I)cc2)N1 ZINC000000564113 85/79/09/284857909 AYKHCDIQJGOBPJ-VMPITWQZSA-N 0 314.082 DD 1.472 1 Anodyne mid DDAAMN O=C1NC(=O)/C(=C\c2ccc(I)cc2)N1 O=C1NC(=O)/C(=C\c2ccc(I)cc2)N1 ZINC000000564113 85/79/07/284857907 AYKHCDIQJGOBPJ-VMPITWQZSA-N -1 314.082 DD 1.472 0 Anodyne ref DDAARM O=C1[N-]C(=O)/C(=C\c2ccc(I)cc2)N1 O=C1NC(=O)/C(=C\c2cc(Cl)c(O)c(Br)c2)N1 ZINC000000565617 65/52/36/406655236 MLPCTRDKTGOBML-XVNBXDOJSA-N 0 317.526 DD 1.988 2 Anodyne low DDAALN O=C1NC(=O)/C(=C\c2cc(Cl)c(O)c(Br)c2)N1 O=C1NC(=O)/C(=C\c2cc(Cl)c(O)c(Br)c2)N1 ZINC000000565617 65/52/28/406655228 MLPCTRDKTGOBML-XVNBXDOJSA-N -2 317.526 DD 1.988 1 Anodyne mid DDAAML O=C1[N-]C(=O)/C(=C\c2cc(Cl)c([O-])c(Br)c2)N1 O=C1NC(=O)/C(=C\c2cc(Cl)c(O)c(Br)c2)N1 ZINC000000565617 65/52/17/406655217 MLPCTRDKTGOBML-XVNBXDOJSA-N -1 317.526 DD 1.988 0 Anodyne ref DDAARM O=C1NC(=O)/C(=C\c2cc(Cl)c([O-])c(Br)c2)N1 CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(C)C1=O ZINC000000573027 65/69/12/406656912 SDNMHZAICJLDLC-DHZHZOJOSA-N -1 304.371 DD 1.73 1 Clean mid DDCAMM CC(C)Oc1ccccc1C=C1C(=O)[N-]C(=S)N(C)C1=O CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(C)C1=O ZINC000000573027 65/69/05/406656905 SDNMHZAICJLDLC-DHZHZOJOSA-N 0 304.371 DD 1.73 0 Clean ref DDCARN CC(C)Oc1ccccc1C=C1C(=O)NC(=S)N(C)C1=O COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OC(C)C ZINC000000573788 65/66/90/406656690 AIQRVKXAJWQXFK-UHFFFAOYSA-N -1 320.37 DD 1.397 1 Clean mid DDCAMM COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OC(C)C COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OC(C)C ZINC000000573788 65/66/84/406656684 AIQRVKXAJWQXFK-UHFFFAOYSA-N 0 320.37 DD 1.397 0 Clean ref DDCARN COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OC(C)C Cc1c(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc2n1C ZINC000000979763 58/20/27/278582027 NHWNEOQUDOVVCB-XYOKQWHBSA-N -1 313.382 DD 1.743 1 Clean mid DDCAMM Cc1c(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2ccccc2n1C Cc1c(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc2n1C ZINC000000979763 58/20/17/278582017 NHWNEOQUDOVVCB-XYOKQWHBSA-N 0 313.382 DD 1.743 0 Clean ref DDCARN Cc1c(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc2n1C CN1C(=O)/C(=C/c2ccc(Br)o2)C(=O)NC1=S ZINC000000981412 66/26/95/406662695 LIOHISGEJDTXLG-GQCTYLIASA-N -1 315.148 DD 1.299 1 Clean mid DDCAMM CN1C(=O)/C(=C/c2ccc(Br)o2)C(=O)[N-]C1=S CN1C(=O)/C(=C/c2ccc(Br)o2)C(=O)NC1=S ZINC000000981412 66/26/79/406662679 LIOHISGEJDTXLG-GQCTYLIASA-N -1 315.148 DD 1.299 0 Clean ref DDCARM CN1C(=O)/C(=C/c2ccc(Br)o2)C(=O)NC1=S Cn1c2ccccc2c2nn3c(SCC(=O)O)nnc3nc21 ZINC000001001307 66/30/05/406663005 CZSLPRPHNNOBHT-UHFFFAOYSA-N -1 314.33 DD 1.341 0 Bother ref DDBARM Cn1c2ccccc2c2nn3c(SCC(=O)[O-])nnc3nc21 C#CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O ZINC000001053424 84/34/07/180843407 REUOQSWDTXQCKV-BENRWUELSA-N 0 318.354 DD 1.786 0 Mild ref DDEARN C#CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O CCc1ccc2c(c1)/C(=C1/SC(=S)N(N)C1=O)C(=O)N2 ZINC000001159328 67/37/86/276673786 DBJFSECMFKSSQV-KTKRTIGZSA-N 0 305.384 DD 1.646 0 Clean ref DDCARN CCc1ccc2c(c1)/C(=C1/SC(=S)N(N)C1=O)C(=O)N2 COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC ZINC000001168370 66/69/08/406666908 IWKMQOAMKXXCAZ-IZZDOVSWSA-N -1 323.326 DD 1.825 0 Anodyne ref DDAARM COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OC COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)O ZINC000001184004 66/46/68/406664668 YHWHPIIHJQARCQ-WDZFZDKYSA-N -1 323.326 DD 1.825 0 Anodyne ref DDAARM COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)[O-] CCOC(=O)COc1ccccc1/C=C1\SC(=N)NC1=O ZINC000001203670 66/63/40/406666340 JALAJPAFLWHBOX-XFFZJAGNSA-N 0 306.343 DD 1.767 0 Anodyne ref DDAARN CCOC(=O)COc1ccccc1/C=C1\SC(=N)NC1=O C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(=O)N=C1S ZINC000001252601 66/51/56/406665156 WUKKBZDWYXZJSQ-YFHOEESVSA-N -1 318.354 DD 1.625 1 Mild mid DDEAMM C=CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)C(=O)[N-]C1=S C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(=O)N=C1S ZINC000001252601 66/51/43/406665143 WUKKBZDWYXZJSQ-YFHOEESVSA-N 0 318.354 DD 1.625 0 Mild ref DDEARN C=CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)C(=O)NC1=S CCOc1cccc([C@H]2C(C(=O)OC)=C(C)Nc3nnnn32)c1 ZINC000001970303 90/41/07/180904107 JBSDJLZOUZGNHN-ZDUSSCGKSA-N 0 315.333 DD 1.534 0 Anodyne ref DDAARN CCOc1cccc([C@H]2C(C(=O)OC)C(C)=Nc3nnnn32)c1 Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000002243875 68/36/71/406683671 OJEYIDDDKFLBSM-UHFFFAOYSA-N 0 310.36 DD 1.58 0 Anodyne ref DDAARN Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 COc1ccc(OC)c(/C=C2\S/C(=N/C(C)=O)NC2=O)c1 ZINC000002306396 68/46/82/406684682 XAFNRBMATODCQQ-GHXNOFRVSA-N 0 306.343 DD 1.81 0 Mild ref DDEARN COc1ccc(OC)c(/C=C2\S/C(=N/C(C)=O)NC2=O)c1 COC(=O)C1=C(C)N=C(S)N[C@@H]1c1ccc(C(=O)O)cc1 ZINC000002482018 68/74/99/406687499 GZEBTMRPQDLJIG-LLVKDONJSA-N -1 306.343 DD 1.762 0 Anodyne ref DDAARM C=C1NC([S-])=[NH+][C@H](c2ccc(C(=O)[O-])cc2)C1C(=O)OC COC(=O)C1=C(C)N=C(S)N[C@H]1c1ccc(C(=O)O)cc1 ZINC000002482020 68/72/94/406687294 GZEBTMRPQDLJIG-NSHDSACASA-N -1 306.343 DD 1.762 0 Anodyne ref DDAARM C=C1NC([S-])=[NH+][C@@H](c2ccc(C(=O)[O-])cc2)C1C(=O)OC O=C1NC(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1 ZINC000002832478 27/86/63/280278663 MMBOVBBWVRELHV-UHFFFAOYSA-N -1 303.293 DD 1.175 1 Clean mid DDCAMM O=C1[N-]C(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1 O=C1NC(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1 ZINC000002832478 27/86/61/280278661 MMBOVBBWVRELHV-UHFFFAOYSA-N -1 303.293 DD 1.175 1 Clean mid DDCAMM O=C1[N-]C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1 O=C1NC(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1 ZINC000002832478 27/86/57/280278657 MMBOVBBWVRELHV-UHFFFAOYSA-N 0 303.293 DD 1.175 1 Clean mid DDCAMN O=C1NC(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1 O=C1NC(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1 ZINC000002832478 27/86/51/280278651 MMBOVBBWVRELHV-UHFFFAOYSA-N -1 303.293 DD 1.175 0 Clean ref DDCARM O=C1[N-]C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1 O=C1NC(=O)C(=Cc2ccc(OC3CCCC3)cc2)C(=O)N1 ZINC000002834066 70/07/07/406700707 LAGNHLVONWLVDY-UHFFFAOYSA-N 0 300.314 DD 1.757 1 Clean mid DDCAMN O=C1NC(=O)C(=Cc2ccc(OC3CCCC3)cc2)C(=O)N1 O=C1NC(=O)C(=Cc2ccc(OC3CCCC3)cc2)C(=O)N1 ZINC000002834066 70/06/97/406700697 LAGNHLVONWLVDY-UHFFFAOYSA-N -1 300.314 DD 1.757 0 Clean ref DDCARM O=C1[N-]C(=O)C(=Cc2ccc(OC3CCCC3)cc2)C(=O)N1 CCOc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OC ZINC000002874145 96/56/50/180965650 XVADKSNOLLQKCQ-UHFFFAOYSA-N 0 318.329 DD 1.528 0 Clean ref DDCARN CCOc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OC N#Cc1cnc(SCC(=O)Nc2ccccc2F)nc1N ZINC000002884180 70/48/71/406704871 XCLCLUXCBINRJJ-UHFFFAOYSA-N 0 303.322 DD 1.8 0 Mild ref DDEARN N#Cc1cnc(SCC(=O)Nc2ccccc2F)nc1N CCN(CC)c1ccc(C=C2C(=O)NC(=O)NC2=O)c(OC)c1 ZINC000002892161 70/57/17/406705717 ATYFEERCRNPCGL-UHFFFAOYSA-N 0 317.345 DD 1.291 1 Clean mid DDCAMN CCN(CC)c1ccc(C=C2C(=O)NC(=O)NC2=O)c(OC)c1 CCN(CC)c1ccc(C=C2C(=O)NC(=O)NC2=O)c(OC)c1 ZINC000002892161 70/57/06/406705706 ATYFEERCRNPCGL-UHFFFAOYSA-N -1 317.345 DD 1.291 0 Clean ref DDCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OC)c1 Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccncc1 ZINC000002910749 70/42/36/406704236 WVCHORFVYYDMIA-UHFFFAOYSA-N -1 310.313 DD 1.239 3 Clean high DDCAHM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccncc1 Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccncc1 ZINC000002910749 70/42/29/406704229 WVCHORFVYYDMIA-UHFFFAOYSA-N 1 310.313 DD 1.239 2 Clean low DDCALO Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cc[nH+]cc1