CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 ZINC000000538163 81/52/64/206815264 SNWQKAWITMVCQW-UHFFFAOYSA-N -2 362.363 FD 1.462 0 Anodyne ref FDAARL CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 world Cn1c(=O)c2c(nc(Br)n2Cc2ccc(F)cc2)n(C)c1=O ZINC000000629436 30/64/18/219306418 WYUZGGAZJIKRSL-UHFFFAOYSA-N 0 367.178 FD 1.384 0 Anodyne ref FDAARN Cn1c(=O)c2c(nc(Br)n2Cc2ccc(F)cc2)n(C)c1=O Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccc(F)cc1 ZINC000000629438 21/62/76/518216276 IKURPGGUIVEYTC-UHFFFAOYSA-N 0 353.151 FD 1.373 0 Anodyne ref FDAARN Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccc(F)cc1 Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(=O)c1ccccc1 ZINC000000633346 21/60/57/518216057 MDRUDFVHNBRYOO-UHFFFAOYSA-N 0 363.171 FD 1.069 0 Anodyne ref FDAARN Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(=O)c1ccccc1 O=C(COc1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000000668137 31/16/82/219311682 CDQDCIXXBFSRJQ-UHFFFAOYSA-N 0 354.406 FD 1.815 0 Anodyne ref FDAARN O=C(COc1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1 CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccc(OC)cc1 ZINC000000690258 94/27/28/203942728 PCRSRAHCWJUMPI-UHFFFAOYSA-N 0 359.346 FD 1.03 0 Anodyne ref FDAARN CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccc(OC)cc1 COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 ZINC000000727939 07/24/03/537072403 IHZYZBLXXGNDMS-UHFFFAOYSA-N 0 364.405 FD 1.842 0 Anodyne ref FDAARN COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1Cl ZINC000000728179 21/84/00/518218400 HJHOWCNMHZDDRL-UHFFFAOYSA-N 0 369.606 FD 1.887 0 Anodyne ref FDAARN Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1Cl O=C(O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000000784159 27/13/22/210271322 MAKXWEYYRGLODM-UHFFFAOYSA-N -1 374.418 FD 1.532 0 Anodyne ref FDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1c1ccc2c(c1)OCO2 ZINC000000791354 21/86/83/518218683 YUGQKUALAAKYMJ-UHFFFAOYSA-N -1 362.345 FD 1.368 3 Mild high FDEAHM NC1=C(c2nc3ccccc3c(=O)[n-]2)C(=O)CN1c1ccc2c(c1)OCO2 NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1c1ccc2c(c1)OCO2 ZINC000000791354 21/86/72/518218672 YUGQKUALAAKYMJ-UHFFFAOYSA-N 0 362.345 FD 1.368 0 Mild ref FDEARN NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1c1ccc2c(c1)OCO2 CCOC(=O)[C@@]1(O)CSc2nc3sc4c(c3c(=O)n21)CCCC4 ZINC000000793092 21/80/68/518218068 WFACTBKJIGYJMB-HNNXBMFYSA-N 0 352.437 FD 1.651 0 Anodyne ref FDAARN CCOC(=O)[C@@]1(O)CSc2nc3sc4c(c3c(=O)n21)CCCC4 CCOC(=O)[C@]1(O)CSc2nc3sc4c(c3c(=O)n21)CCCC4 ZINC000000793093 21/78/97/518217897 WFACTBKJIGYJMB-OAHLLOKOSA-N 0 352.437 FD 1.651 0 Anodyne ref FDAARN CCOC(=O)[C@]1(O)CSc2nc3sc4c(c3c(=O)n21)CCCC4 O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000000810094 32/43/32/219324332 AUJPYZFTKSBIAR-CYBMUJFWSA-N 0 372.874 FD 1.6 0 Anodyne ref FDAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1 O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000000810096 21/99/19/518219919 AUJPYZFTKSBIAR-ZDUSSCGKSA-N 0 372.874 FD 1.6 0 Anodyne ref FDAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1 Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccc(Cl)cc1 ZINC000000842261 22/20/29/518222029 DFJNPLNFFLLZCH-UHFFFAOYSA-N 0 369.606 FD 1.887 0 Anodyne ref FDAARN Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccc(Cl)cc1 O=C(O)c1ccccc1S(=O)(=O)NC[C@H](O)COC1CCCCC1 ZINC000000864274 28/23/15/210282315 YXXHXVMBCCVMMR-LBPRGKRZSA-N -1 357.428 FD 1.373 0 Anodyne ref FDAARM O=C([O-])c1ccccc1S(=O)(=O)NC[C@H](O)COC1CCCCC1 O=C(O)c1ccccc1S(=O)(=O)NC[C@@H](O)COC1CCCCC1 ZINC000000864275 28/19/09/210281909 YXXHXVMBCCVMMR-GFCCVEGCSA-N -1 357.428 FD 1.373 0 Anodyne ref FDAARM O=C([O-])c1ccccc1S(=O)(=O)NC[C@@H](O)COC1CCCCC1 O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O ZINC000000899870 22/37/58/518223758 DOUMFZQKYFQNTF-WUTVXBCWSA-N -1 360.318 FD 1.761 0 Clean ref FDCARM O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-] in-man aggregator endogenous O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O ZINC000000901160 33/78/99/219337899 DOUMFZQKYFQNTF-GIZXNFQBSA-N -1 360.318 FD 1.761 0 Clean ref FDCARM O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-] aggregator in-vitro biogenic COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)cc1OC ZINC000001076063 36/53/85/219365385 KFXRJLCUOYZYCO-UHFFFAOYSA-N -1 365.407 FD 1.923 0 Anodyne ref FDAARM COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1OC COC(=O)COc1c(I)cc(C=O)cc1OC ZINC000001172204 22/87/71/518228771 MJORGEHPMMKEHT-UHFFFAOYSA-N 0 350.108 FD 1.664 0 Anodyne ref FDAARN COC(=O)COc1c(I)cc(C=O)cc1OC O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000001174814 22/97/44/518229744 BMSMDSMCIKEEQB-UHFFFAOYSA-N 0 365.367 FD 1.335 0 Bother ref FDBARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 CC1CCN(Cc2nnn(-c3nonc3N)c2CN2CCC(C)CC2)CC1 ZINC000001238598 22/86/12/518228612 DFBQZWCDYNHZSD-UHFFFAOYSA-N 2 374.493 FD 1.696 2 Anodyne low FDAALP CC1CC[NH+](Cc2nnn(-c3nonc3N)c2C[NH+]2CCC(C)CC2)CC1 CC1CCN(Cc2nnn(-c3nonc3N)c2CN2CCC(C)CC2)CC1 ZINC000001238598 22/86/08/518228608 DFBQZWCDYNHZSD-UHFFFAOYSA-N 1 374.493 FD 1.696 1 Anodyne mid FDAAMO CC1CCN(Cc2nnn(-c3nonc3N)c2C[NH+]2CCC(C)CC2)CC1 CC1CCN(Cc2nnn(-c3nonc3N)c2CN2CCC(C)CC2)CC1 ZINC000001238598 22/85/93/518228593 DFBQZWCDYNHZSD-UHFFFAOYSA-N 0 374.493 FD 1.696 0 Anodyne ref FDAARN CC1CCN(Cc2nnn(-c3nonc3N)c2CN2CCC(C)CC2)CC1 COC(=O)c1cc(-c2ccc(OC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000001425654 35/14/57/210351457 OEVKKGJKUVTXAF-UHFFFAOYSA-N 0 355.35 FD 1.094 0 Anodyne ref FDAARN COC(=O)c1cc(-c2ccc(OC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 ZINC000001545269 23/25/91/518232591 YONLFQNRGZXBBF-ZIAGYGMSSA-N -2 358.302 FD 1.607 0 Anodyne ref FDAARL O=C(O[C@@H](C(=O)[O-])[C@@H](OC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 in-vitro O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 ZINC000001632636 01/54/09/204015409 YONLFQNRGZXBBF-KBPBESRZSA-N -2 358.302 FD 1.607 0 Anodyne ref FDAARL O=C(O[C@H](C(=O)[O-])[C@H](OC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 in-vitro O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 ZINC000001632637 36/36/94/210363694 YONLFQNRGZXBBF-OKILXGFUSA-N -2 358.302 FD 1.607 0 Anodyne ref FDAARL O=C(O[C@H](C(=O)[O-])[C@@H](OC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O ZINC000001873104 96/71/24/521967124 XQPVVBMUTQVELT-LRDDRELGSA-N 0 362.382 FD 1.935 0 Mild ref FDEARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O Nc1nc(SCC(=O)NCCCO)nc2sc3c(c12)CCCC3 ZINC000001895680 02/28/48/204022848 HTZLBIRKNWOHIT-UHFFFAOYSA-N 0 352.485 FD 1.743 0 Anodyne ref FDAARN Nc1nc(SCC(=O)NCCCO)nc2sc3c(c12)CCCC3 Cc1sc2nc(SCC(=O)NCCOCCO)nc(N)c2c1C ZINC000001895697 23/66/29/518236629 HOYFFJLUYUZTDO-UHFFFAOYSA-N 0 356.473 FD 1.108 0 Anodyne ref FDAARN Cc1sc2nc(SCC(=O)NCCOCCO)nc(N)c2c1C CCCCN(CCCC)Cc1c(C(=O)OCC)nnn1-c1nonc1N ZINC000002024962 02/38/99/204023899 RROJTSQMIMHOBQ-UHFFFAOYSA-N 0 365.438 FD 1.811 1 Anodyne mid FDAAMN CCCCN(CCCC)Cc1c(C(=O)OCC)nnn1-c1nonc1N CCCCN(CCCC)Cc1c(C(=O)OCC)nnn1-c1nonc1N ZINC000002024962 02/38/95/204023895 RROJTSQMIMHOBQ-UHFFFAOYSA-N 1 365.438 FD 1.811 0 Anodyne ref FDAARO CCCC[NH+](CCCC)Cc1c(C(=O)OCC)nnn1-c1nonc1N O=C(O)CC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000002088067 38/01/35/210380135 NSEGVQVTJRXODS-MRVPVSSYSA-N -2 370.305 FD 1.916 3 Bother high FDBAHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F O=C(O)CC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000002088067 38/01/29/210380129 NSEGVQVTJRXODS-MRVPVSSYSA-N -1 370.305 FD 1.916 0 Bother ref FDBARM O=C([O-])CC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F O=C(O)CC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000002088068 23/64/41/518236441 NSEGVQVTJRXODS-QMMMGPOBSA-N -2 370.305 FD 1.916 3 Bother high FDBAHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F O=C(O)CC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000002088068 23/64/30/518236430 NSEGVQVTJRXODS-QMMMGPOBSA-N -1 370.305 FD 1.916 0 Bother ref FDBARM O=C([O-])CC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=O)CC2)cc1 ZINC000002423227 70/26/14/536702614 IDBANIMZRNPOOM-UHFFFAOYSA-N 0 364.405 FD 1.842 0 Clean ref FDCARN COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=O)CC2)cc1 COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2[nH]1 ZINC000002545746 24/40/31/518244031 WLVKIBVLYJELMN-UHFFFAOYSA-N 0 372.37 FD 1.188 0 Anodyne ref FDAARN COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2[nH]1 COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2o1 ZINC000002545763 44/84/76/219448476 YCWXFIGAZNVYKK-UHFFFAOYSA-N 0 373.354 FD 1.453 0 Anodyne ref FDAARN COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2o1 COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1Cl ZINC000002553852 24/34/67/518243467 AFQKCAKHRSIRMH-GRHWWUNPSA-N -1 365.769 FD 1.728 0 Anodyne ref FDAARM COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1Cl CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O ZINC000002584388 32/60/66/263326066 YHZUOMRURVTBMO-AWEZNQCLSA-N 0 362.382 FD 1.935 0 Mild ref FDEARN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O Cn1ncc(Br)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000002743617 24/70/61/518247061 FRXVZNNKMCXLFQ-UHFFFAOYSA-N 0 373.251 FD 1.875 0 Anodyne ref FDAARN Cn1ncc(Br)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCO)C(=O)O)cccc12 ZINC000003646616 27/83/97/518278397 QFJGUMIWUGKKGI-ZDUSSCGKSA-N -1 352.412 FD 1.02 0 Anodyne ref FDAARM CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cccc12 Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 ZINC000003844586 27/91/05/518279105 REJHVSOVQBJEBF-OWOJBTEDSA-N -2 370.408 FD 1.515 0 Anodyne ref FDAARL Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 in-vitro CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 ZINC000003873156 38/56/73/132385673 ZEKZLJVOYLTDKK-SECBINFHSA-N -1 351.353 FD 1.796 3 Anodyne high FDAAHM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 world CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 ZINC000003873156 38/56/72/132385672 ZEKZLJVOYLTDKK-SECBINFHSA-N 0 351.353 FD 1.796 0 Anodyne ref FDAARN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+][C@H](C)C3)c(F)c21 world CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 ZINC000003873157 38/57/38/132385738 ZEKZLJVOYLTDKK-VIFPVBQESA-N -1 351.353 FD 1.796 3 Anodyne high FDAAHM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 world CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 ZINC000003873157 38/57/37/132385737 ZEKZLJVOYLTDKK-VIFPVBQESA-N 0 351.353 FD 1.796 0 Anodyne ref FDAARN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+][C@@H](C)C3)c(F)c21 world C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000003875357 27/92/67/518279267 XOFYZVNMUHMLCC-ZPOLXVRWSA-N 0 358.434 FD 1.766 0 Mild ref FDEARN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO fda C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 ZINC000003881717 79/98/14/206799814 XYPPDQHBNJURHU-IPOQXWOTSA-N 0 356.503 FD 1.855 0 Anodyne ref FDAARN C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 in-vitro COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1Cl ZINC000003882450 28/02/83/518280283 AFQKCAKHRSIRMH-KEAXFYSCSA-N -1 365.769 FD 1.728 0 Anodyne ref FDAARM COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1Cl COc1cc(OC)c(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1Cl ZINC000003882451 99/27/87/206992787 AFQKCAKHRSIRMH-JAMKOXHTSA-N -1 365.769 FD 1.728 0 Anodyne ref FDAARM COc1cc(OC)c(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1Cl COc1ccc(NS(=O)(=O)c2cc(N)ccc2N2CCOCC2)cc1 ZINC000003885404 38/58/97/132385897 LCUPRWOAVPUCBB-UHFFFAOYSA-N -1 363.439 FD 1.915 1 Anodyne mid FDAAMM COc1ccc([N-]S(=O)(=O)c2cc(N)ccc2N2CCOCC2)cc1 COc1ccc(NS(=O)(=O)c2cc(N)ccc2N2CCOCC2)cc1 ZINC000003885404 38/58/96/132385896 LCUPRWOAVPUCBB-UHFFFAOYSA-N 0 363.439 FD 1.915 0 Anodyne ref FDAARN COc1ccc(NS(=O)(=O)c2cc(N)ccc2N2CCOCC2)cc1 O=C(O[C@@H]1CS(=O)(=O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004017454 50/42/29/210504229 NZBKYQUZFSDQDZ-HZPDHXFCSA-N 0 360.387 FD 1.866 0 Anodyne ref FDAARN O=C(O[C@@H]1CS(=O)(=O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000004108485 00/12/49/207001249 MVVRECSWYQVSNV-CFAJVAMVSA-N 0 354.786 FD 1.726 0 Anodyne ref FDAARN COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c(OC)c1 ZINC000004249489 25/47/24/132254724 HAEJNEIXENJRPO-JTQLQIEISA-N 0 371.397 FD 1.228 0 Anodyne ref FDAARN COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c(OC)c1 COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c(OC)c1 ZINC000004249490 70/89/77/536708977 HAEJNEIXENJRPO-SNVBAGLBSA-N 0 371.397 FD 1.228 0 Anodyne ref FDAARN COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c(OC)c1 COc1ccc(OC)c(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 ZINC000004304013 01/23/49/207012349 SCSIMPJFWROHTJ-UHFFFAOYSA-N 0 369.381 FD 1.299 0 Anodyne ref FDAARN COc1ccc(OC)c(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 CCOc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 ZINC000004304016 38/67/68/132386768 RUCQWWFOOHLMCY-NSHDSACASA-N 0 355.398 FD 1.61 0 Anodyne ref FDAARN CCOc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 ZINC000004304017 38/66/87/132386687 RUCQWWFOOHLMCY-LLVKDONJSA-N 0 355.398 FD 1.61 0 Anodyne ref FDAARN CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004342490 13/47/42/204134742 VULKDOXPKPVHAO-ZKNHNOBHSA-N -1 366.373 FD 1.686 3 Clean high FDCAHM C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004342490 13/47/36/204134736 VULKDOXPKPVHAO-ZKNHNOBHSA-N 0 366.373 FD 1.686 0 Clean ref FDCARN C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004342491 01/59/14/207015914 VULKDOXPKPVHAO-ULMVMLMRSA-N -1 366.373 FD 1.686 3 Clean high FDCAHM C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004342491 01/59/05/207015905 VULKDOXPKPVHAO-ULMVMLMRSA-N 0 366.373 FD 1.686 0 Clean ref FDCARN C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(C(F)(F)F)cc1 ZINC000004370450 01/62/39/207016239 GBYUFZFLMMGTMY-UHFFFAOYSA-N 0 363.299 FD 1.992 0 Anodyne ref FDAARN Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(C(F)(F)F)cc1 COc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 ZINC000004386475 29/83/03/518298303 JIZTWYSCOZVQDK-UHFFFAOYSA-N 0 359.773 FD 1.636 0 Anodyne ref FDAARN COc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 COc1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1Cl ZINC000004386482 13/71/16/204137116 DSTUCPNPBCFCSY-UHFFFAOYSA-N 0 359.773 FD 1.636 0 Anodyne ref FDAARN COc1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1Cl COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 ZINC000004386496 29/82/98/518298298 UPTUXGPJLQIDDE-UHFFFAOYSA-N 0 373.8 FD 1.944 0 Anodyne ref FDAARN COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 COc1ccc(C)cc1-n1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 ZINC000004386499 52/88/20/210528820 FTQJCLMRKBWZOV-UHFFFAOYSA-N 0 353.382 FD 1.599 0 Anodyne ref FDAARN COc1ccc(C)cc1-n1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@](CO)(CCO)O2 ZINC000004424621 29/86/75/518298675 XYPPDQHBNJURHU-BVMLLJBZSA-N 0 356.503 FD 1.855 0 Anodyne ref FDAARN C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@](CO)(CCO)O2 COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000004614931 03/21/38/207032138 UIAITZOPIDXFJP-UHFFFAOYSA-N 0 358.372 FD 1.321 0 Bother ref FDBARN COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] CCOc1cc(C(=O)O)cc(I)c1OCC(=O)O ZINC000004657702 03/52/16/207035216 BIHGJRYVNZKMLS-UHFFFAOYSA-N -2 366.107 FD 1.852 0 Anodyne ref FDAARL CCOc1cc(C(=O)[O-])cc(I)c1OCC(=O)[O-] CCOc1cc(C=O)cc(I)c1OCC(=O)O ZINC000004702105 30/96/64/518309664 MAIBSQYOMMRGNH-UHFFFAOYSA-N -1 350.108 FD 1.966 0 Anodyne ref FDAARM CCOc1cc(C=O)cc(I)c1OCC(=O)[O-] C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@](CO)(CCO)O2 ZINC000004731173 15/87/30/204158730 XYPPDQHBNJURHU-WLWSEXLFSA-N 0 356.503 FD 1.855 0 Anodyne ref FDAARN C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@](CO)(CCO)O2 CCOC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC ZINC000004810803 80/52/49/520805249 AUXWTWCZGSRJNX-QGZVFWFLSA-N 0 362.382 FD 1.854 0 Mild ref FDEARN CCOC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC CCOC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC ZINC000004810804 31/31/65/518313165 AUXWTWCZGSRJNX-KRWDZBQOSA-N 0 362.382 FD 1.854 0 Mild ref FDEARN CCOC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC CCOc1cc(/C=N/O)cc(I)c1OCC(=O)O ZINC000004902259 31/72/93/518317293 BIUBJQPHSOFJPD-WLRTZDKTSA-N -2 365.123 FD 1.961 3 Mild high FDEAHL CCOc1cc(/C=N/[O-])cc(I)c1OCC(=O)[O-] CCOc1cc(/C=N/O)cc(I)c1OCC(=O)O ZINC000004902259 31/72/88/518317288 BIUBJQPHSOFJPD-WLRTZDKTSA-N -1 365.123 FD 1.961 0 Mild ref FDEARM CCOc1cc(/C=N/O)cc(I)c1OCC(=O)[O-] COc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1Cl ZINC000004945131 32/17/46/518321746 SMXGGVTWLBAHEF-UHFFFAOYSA-N 0 361.789 FD 1.627 0 Anodyne ref FDAARN COc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1Cl COc1ccc(OC)c(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 ZINC000004945150 83/24/73/536832473 NYDKBWIIHAMEMK-JTQLQIEISA-N 0 371.397 FD 1.228 0 Anodyne ref FDAARN COc1ccc(OC)c(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 COc1ccc(OC)c(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 ZINC000004945151 25/56/32/132255632 NYDKBWIIHAMEMK-SNVBAGLBSA-N 0 371.397 FD 1.228 0 Anodyne ref FDAARN COc1ccc(OC)c(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 COc1ccc(C)cc1N1C[C@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000005252058 25/65/42/132256542 WLUQPMGUGRRDJQ-NSHDSACASA-N 0 355.398 FD 1.528 0 Anodyne ref FDAARN COc1ccc(C)cc1N1C[C@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C COc1ccc(C)cc1N1C[C@@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000005252059 81/03/66/536810366 WLUQPMGUGRRDJQ-LLVKDONJSA-N 0 355.398 FD 1.528 0 Anodyne ref FDAARN COc1ccc(C)cc1N1C[C@@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C COc1noc(COc2ccccc2OC[C@@H](O)CNC(C)(C)C)n1 ZINC000005353058 20/46/38/204204638 NXTODQHJOKDVFU-LBPRGKRZSA-N 1 351.403 FD 1.785 0 Anodyne ref FDAARO COc1noc(COc2ccccc2OC[C@@H](O)C[NH2+]C(C)(C)C)n1 investigational COc1noc(COc2ccccc2OC[C@H](O)CNC(C)(C)C)n1 ZINC000005353311 20/43/36/204204336 NXTODQHJOKDVFU-GFCCVEGCSA-N 1 351.403 FD 1.785 0 Anodyne ref FDAARO COc1noc(COc2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)n1 investigational C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@@](CO)(CCO)O2 ZINC000005528100 68/67/67/219686767 XYPPDQHBNJURHU-WDCLZLQXSA-N 0 356.503 FD 1.855 0 Anodyne ref FDAARN C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@@](CO)(CCO)O2 O=C(O)[C@@H](C(=O)Oc1ccccc1)[C@@H](C(=O)O)C(=O)Oc1ccccc1 ZINC000005647534 21/93/50/204219350 WUXFJBKGSMQVDJ-KBPBESRZSA-N -2 358.302 FD 1.599 0 Anodyne ref FDAARL O=C([O-])[C@@H](C(=O)Oc1ccccc1)[C@@H](C(=O)[O-])C(=O)Oc1ccccc1 O=C(O)[C@@H](C(=O)Oc1ccccc1)[C@H](C(=O)O)C(=O)Oc1ccccc1 ZINC000005647538 11/14/03/207111403 WUXFJBKGSMQVDJ-OKILXGFUSA-N -2 358.302 FD 1.599 0 Anodyne ref FDAARL O=C([O-])[C@@H](C(=O)Oc1ccccc1)[C@H](C(=O)[O-])C(=O)Oc1ccccc1 O=C(O)[C@H](C(=O)Oc1ccccc1)[C@H](C(=O)O)C(=O)Oc1ccccc1 ZINC000005647540 21/95/67/204219567 WUXFJBKGSMQVDJ-ZIAGYGMSSA-N -2 358.302 FD 1.599 0 Anodyne ref FDAARL O=C([O-])[C@H](C(=O)Oc1ccccc1)[C@H](C(=O)[O-])C(=O)Oc1ccccc1 C=C1CC[C@@H]2[C@@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)OC[C@H]1O ZINC000005750892 35/41/69/518354169 BOJKULTULYSRAS-KTCFKTNYSA-N 0 350.455 FD 1.963 0 Mild ref FDEBRN C=C1CC[C@@H]2[C@@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)OC[C@H]1O CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cc1 ZINC000006132218 36/40/68/518364068 NCCWJIKLDMTYLD-UHFFFAOYSA-N -1 354.428 FD 1.814 0 Anodyne ref FDAARM CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)[O-])CC2)cc1 COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1Cl ZINC000006576839 25/42/61/204254261 AFQKCAKHRSIRMH-IWCJZZDYSA-N -1 365.769 FD 1.728 0 Anodyne ref FDAARM COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1Cl NCCNC(=O)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 ZINC000006658030 25/83/89/204258389 FEZQPADYHZBVBP-UHFFFAOYSA-N 1 354.292 FD 1.175 0 Anodyne ref FDAARO [NH3+]CCNC(=O)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 CC1=NNc2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n2C1 ZINC000006665523 38/14/72/518381472 CPHDZVQKSVOTMK-RMKNXTFCSA-N 0 350.382 FD 1.411 0 Anodyne ref FDAARN CC1Cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)N=N1 O=C(CCCSc1nc(=O)c2c3c(sc2[nH]1)CCC3)NCCO ZINC000008582880 33/56/13/204335613 NNVTUKLUIBQQHJ-UHFFFAOYSA-N 0 353.469 FD 1.454 0 Anodyne ref FDAARN O=C(CCCSc1nc(=O)c2c3c(sc2[nH]1)CCC3)NCCO O=C(CCCSc1nc(=O)c2c3c(sc2[nH]1)CCC3)NCCCO ZINC000008584256 48/13/56/518481356 KJHZCXRCOSUQKQ-UHFFFAOYSA-N 0 367.496 FD 1.844 0 Anodyne ref FDAARN O=C(CCCSc1nc(=O)c2c3c(sc2[nH]1)CCC3)NCCCO