CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000000028218 89/09/53/285890953 VDLSNXQRYWSHGB-RCJHGTSTSA-N 0 348.395 ED 1.853 0 Anodyne ref EDAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1 c1ccc(Nc2nc(N3CCCC3)nc(N3CCNCC3)n2)cc1 ZINC000000307647 81/48/10/440814810 PEFCLWGGUHBYMG-UHFFFAOYSA-N 0 325.42 ED 1.625 3 Anodyne high EDAAHN c1ccc(Nc2nc(N3CCCC3)nc(N3CCNCC3)n2)cc1 c1ccc(Nc2nc(N3CCCC3)nc(N3CCNCC3)n2)cc1 ZINC000000307647 81/48/01/440814801 PEFCLWGGUHBYMG-UHFFFAOYSA-N 1 325.42 ED 1.625 0 Anodyne ref EDAARO c1ccc(Nc2nc(N3CCCC3)nc(N3CC[NH2+]CC3)n2)cc1 CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O ZINC000004024289 10/16/54/210101654 VDLSNXQRYWSHGB-GGXPGOJBSA-N 0 348.395 ED 1.853 0 Anodyne ref EDABRN CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000004024290 85/60/37/285856037 VDLSNXQRYWSHGB-MKSNKDDYSA-N 0 348.395 ED 1.853 0 Anodyne ref EDAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O ZINC000004024291 90/86/77/440908677 VDLSNXQRYWSHGB-OLMMMNRUSA-N 0 348.395 ED 1.853 0 Anodyne ref EDABRN CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1 ZINC000004024292 90/96/87/440909687 VDLSNXQRYWSHGB-NNFUDEMPSA-N 0 348.395 ED 1.853 0 Anodyne ref EDAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1 C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1 ZINC000004183375 91/22/57/440912257 OURNSQBCMZOFSW-UHFFFAOYSA-N 0 331.468 ED 1.262 3 Anodyne high EDAAHN C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1 C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1 ZINC000004183375 91/22/52/440912252 OURNSQBCMZOFSW-UHFFFAOYSA-N 2 331.468 ED 1.262 1 Anodyne mid EDAAMP C1CCN(c2nc(N3CC[NH2+]CC3)nc(N3CCCCC3)[nH+]2)CC1 C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1 ZINC000004183375 91/22/44/440912244 OURNSQBCMZOFSW-UHFFFAOYSA-N 1 331.468 ED 1.262 0 Anodyne ref EDAARO C1CCN(c2nc(N3CCCCC3)nc(N3CC[NH2+]CC3)n2)CC1 C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O ZINC000004908646 93/04/73/440930473 QJMKIQFMTIQJHR-JOQOYGCGSA-N -1 328.368 ED 1.9 1 Mild mid EDEBMM C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@]1(C)O C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O ZINC000004908646 93/04/66/440930466 QJMKIQFMTIQJHR-JOQOYGCGSA-N 0 328.368 ED 1.9 0 Mild ref EDEBRN C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c([nH][nH]c2=O)C[C@]1(C)O C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000004908651 93/04/81/440930481 QJMKIQFMTIQJHR-JCKWVBRZSA-N -1 328.368 ED 1.9 1 Mild mid EDEBMM C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@@]1(C)O C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000004908651 93/04/77/440930477 QJMKIQFMTIQJHR-JCKWVBRZSA-N 0 328.368 ED 1.9 0 Mild ref EDEBRN C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c([nH][nH]c2=O)C[C@@]1(C)O C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O ZINC000004908657 31/91/37/210319137 QJMKIQFMTIQJHR-SIIHOXLZSA-N -1 328.368 ED 1.9 1 Mild mid EDEBMM C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@]1(C)O C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O ZINC000004908657 31/91/33/210319133 QJMKIQFMTIQJHR-SIIHOXLZSA-N 0 328.368 ED 1.9 0 Mild ref EDEBRN C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c([nH][nH]c2=O)C[C@]1(C)O C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000004908661 93/04/34/440930434 QJMKIQFMTIQJHR-DDUZABMNSA-N -1 328.368 ED 1.9 1 Mild mid EDEBMM C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@@]1(C)O C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000004908661 93/04/23/440930423 QJMKIQFMTIQJHR-DDUZABMNSA-N 0 328.368 ED 1.9 0 Mild ref EDEBRN C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c([nH][nH]c2=O)C[C@@]1(C)O O=C(Nc1ccc(S(=O)(=O)O)cc1)Nc1snnc1C(=O)O ZINC000008694222 09/72/94/441097294 QUUZZSFDWCTRRX-UHFFFAOYSA-N -2 344.33 ED 1.127 0 Anodyne ref EDAARL O=C(Nc1ccc(S(=O)(=O)[O-])cc1)Nc1snnc1C(=O)[O-] CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccccc1 ZINC000012378046 89/18/91/285891891 VDLSNXQRYWSHGB-JEWRLFTDSA-N 0 348.395 ED 1.853 0 Anodyne ref EDAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccccc1 O=C(O)c1nnsc1NC(=O)N1CCC(N2CCCCC2)CC1 ZINC000022130395 07/95/40/202079540 NTQLXIWNVBRSIP-UHFFFAOYSA-N 0 339.421 ED 1.718 0 Anodyne ref EDABRN O=C([O-])c1nnsc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 O=C(O)c1nnsc1NC(=O)N1CCN(c2ccccc2)CC1 ZINC000022130403 27/79/38/212277938 DVRKSIAUBOZTMX-UHFFFAOYSA-N -1 333.373 ED 1.59 0 Anodyne ref EDAARM O=C([O-])c1nnsc1NC(=O)N1CCN(c2ccccc2)CC1 O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414012 26/08/89/202260889 YDENXMXAAFEVRV-LSDHHAIUSA-N -2 344.275 ED 1.906 3 Clean high EDCBHL O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])c2cc(O)c([O-])cc21 O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414012 26/08/86/202260886 YDENXMXAAFEVRV-LSDHHAIUSA-N -2 344.275 ED 1.906 3 Clean high EDCBHL O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])c2cc([O-])c(O)cc21 O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414012 26/08/84/202260884 YDENXMXAAFEVRV-LSDHHAIUSA-N -2 344.275 ED 1.906 0 Clean ref EDCBRL O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])c2cc(O)c(O)cc21 O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414021 59/52/81/441595281 DAUFPQLHQHWOJS-UONOGXRCSA-N -2 332.264 ED 1.589 3 Clean high EDCBHL O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)[O-])c2cc([O-])c(O)cc21 O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414021 59/52/70/441595270 DAUFPQLHQHWOJS-UONOGXRCSA-N -1 332.264 ED 1.589 0 Clean ref EDCBRM O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)[O-])c2cc(O)c(O)cc21 O=C1O[C@H](c2ccc(O)cc2O)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414023 93/63/94/212936394 UQIACFXKVDRPIL-UONOGXRCSA-N -1 332.264 ED 1.589 0 Clean ref EDCBRM O=C1O[C@H](c2ccc(O)cc2O)[C@@H](C(=O)[O-])c2cc(O)c(O)cc21 O=C(O)c1nnsc1NC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000033436137 59/53/10/441595310 CCXIWALFRIXAAW-UHFFFAOYSA-N 0 347.4 ED 1.586 1 Anodyne mid EDAAMN O=C([O-])c1nnsc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 O=C(O)c1nnsc1NC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000033436137 59/53/02/441595302 CCXIWALFRIXAAW-UHFFFAOYSA-N -1 347.4 ED 1.586 0 Anodyne ref EDAARM O=C([O-])c1nnsc1NC(=O)N1CCN(Cc2ccccc2)CC1 CCOC(=O)c1nnsc1-c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000095079677 27/38/81/218273881 XVCAOVKFYDOARP-UHFFFAOYSA-N 0 346.328 ED 1.871 0 Bother ref EDBARN CCOC(=O)c1nnsc1-c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100316056 15/18/78/441151878 UDPREYNIBBBXIE-SECBINFHSA-N -1 325.118 ED 1.237 1 Anodyne mid EDAAMM CC(=O)c1c([O-])n(-c2ccc(Br)cc2)c(=O)[nH]c1=O CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100316056 15/18/65/441151865 UDPREYNIBBBXIE-SECBINFHSA-N -1 325.118 ED 1.237 0 Anodyne ref EDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(Br)cc2)c1=O CC(=O)[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100316059 09/71/27/219097127 UDPREYNIBBBXIE-VIFPVBQESA-N -1 325.118 ED 1.237 1 Anodyne mid EDAAMM CC(=O)c1c([O-])n(-c2ccc(Br)cc2)c(=O)[nH]c1=O CC(=O)[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100316059 09/71/25/219097125 UDPREYNIBBBXIE-VIFPVBQESA-N -1 325.118 ED 1.237 0 Anodyne ref EDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(Br)cc2)c1=O C=CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000101329393 15/51/85/441155185 QJMKIQFMTIQJHR-DHSIGJKJSA-N -1 328.368 ED 1.9 1 Mild mid EDEAMM C=CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@@]1(C)O C=CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000101329393 15/51/81/441155181 QJMKIQFMTIQJHR-DHSIGJKJSA-N 0 328.368 ED 1.9 0 Mild ref EDEARN C=CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c([nH][nH]c2=O)C[C@@]1(C)O C=CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000101329400 15/50/42/441155042 QJMKIQFMTIQJHR-QIIPPGSGSA-N -1 328.368 ED 1.9 1 Mild mid EDEAMM C=CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@@]1(C)O C=CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000101329400 15/50/30/441155030 QJMKIQFMTIQJHR-QIIPPGSGSA-N 0 328.368 ED 1.9 0 Mild ref EDEARN C=CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c([nH][nH]c2=O)C[C@@]1(C)O C=CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O ZINC000245232196 21/92/31/443219231 QJMKIQFMTIQJHR-XUWXXGDYSA-N -1 328.368 ED 1.9 1 Mild mid EDEAMM C=CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@]1(C)O C=CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O ZINC000245232196 21/92/29/443219229 QJMKIQFMTIQJHR-XUWXXGDYSA-N 0 328.368 ED 1.9 0 Mild ref EDEARN C=CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c([nH][nH]c2=O)C[C@]1(C)O C=CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O ZINC000245232198 21/92/73/443219273 QJMKIQFMTIQJHR-YEWWUXTCSA-N -1 328.368 ED 1.9 1 Mild mid EDEAMM C=CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@]1(C)O C=CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O ZINC000245232198 21/92/70/443219270 QJMKIQFMTIQJHR-YEWWUXTCSA-N 0 328.368 ED 1.9 0 Mild ref EDEARN C=CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c([nH][nH]c2=O)C[C@]1(C)O