O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br ZINC000001081243 31/02/84/373310284 WOVKYSAHUYNSMH-RRKCRQDMSA-N -1 307.1 DA -1.06 3 Anodyne high DAAAHM O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br investigational O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br ZINC000001081243 31/02/70/373310270 WOVKYSAHUYNSMH-RRKCRQDMSA-N 0 307.1 DA -1.06 0 Anodyne ref DAAARN O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br investigational N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O ZINC000001530134 35/21/17/373352117 KRGPXXHMOXVMMM-CIUDSAMLSA-N -2 303.315 DA -1.62 3 Anodyne high DAAAHL N[C@@H](CC[NH2+][C@@H](CCN1CC[C@H]1C(=O)[O-])C(=O)[O-])C(=O)[O-] in-vitro N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O ZINC000001530134 35/21/09/373352109 KRGPXXHMOXVMMM-CIUDSAMLSA-N -1 303.315 DA -1.62 1 Anodyne mid DAAAMM [NH3+][C@@H](CCN[C@@H](CC[N@H+]1CC[C@H]1C(=O)[O-])C(=O)[O-])C(=O)[O-] in-vitro N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O ZINC000001530134 35/21/00/373352100 KRGPXXHMOXVMMM-CIUDSAMLSA-N -1 303.315 DA -1.62 1 Anodyne mid DAAAMM [NH3+][C@@H](CCN[C@@H](CC[N@@H+]1CC[C@H]1C(=O)[O-])C(=O)[O-])C(=O)[O-] in-vitro N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O ZINC000001530134 35/20/96/373352096 KRGPXXHMOXVMMM-CIUDSAMLSA-N 0 303.315 DA -1.62 1 Anodyne mid DAAAMN [NH3+][C@@H](CC[NH2+][C@@H](CC[N@H+]1CC[C@H]1C(=O)[O-])C(=O)[O-])C(=O)[O-] in-vitro N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O ZINC000001530134 35/20/59/373352059 KRGPXXHMOXVMMM-CIUDSAMLSA-N 0 303.315 DA -1.62 0 Anodyne ref DAAARN [NH3+][C@@H](CC[NH2+][C@@H](CC[N@@H+]1CC[C@H]1C(=O)[O-])C(=O)[O-])C(=O)[O-] in-vitro C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@](C)(=O)O)C(=O)O ZINC000001530428 22/32/04/299223204 GINJFDRNADDBIN-FXQIFTODSA-N -2 323.286 DA -1.302 3 Anodyne high DAAAHL C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@](C)(=O)[O-])C(=O)[O-] in-vitro C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@](C)(=O)O)C(=O)O ZINC000001530428 22/31/99/299223199 GINJFDRNADDBIN-FXQIFTODSA-N -2 323.286 DA -1.302 3 Anodyne high DAAAHL C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@@](C)(=O)[O-])C(=O)[O-] in-vitro C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@](C)(=O)O)C(=O)O ZINC000001530428 22/31/96/299223196 GINJFDRNADDBIN-FXQIFTODSA-N -1 323.286 DA -1.302 1 Anodyne mid DAAAMM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[P@](C)(=O)[O-])C(=O)[O-] in-vitro C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@](C)(=O)O)C(=O)O ZINC000001530428 22/31/82/299223182 GINJFDRNADDBIN-FXQIFTODSA-N -1 323.286 DA -1.302 0 Anodyne ref DAAARM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[P@@](C)(=O)[O-])C(=O)[O-] in-vitro C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O ZINC000003787060 04/58/63/181045863 LPQZKKCYTLCDGQ-WEDXCCLWSA-N -1 300.296 DA -1.523 0 Anodyne ref DAAARM C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O fda Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 ZINC000003808299 04/62/63/181046263 HOGVTUZUJGHKPL-HTVVRFAVSA-N 0 320.309 DA -1.488 3 Anodyne high DAAAHN Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 investigational Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 ZINC000003808299 04/62/60/181046260 HOGVTUZUJGHKPL-HTVVRFAVSA-N 1 320.309 DA -1.488 0 Anodyne ref DAAARO Cn1[nH+]c(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 investigational N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O ZINC000003830891 44/86/21/303448621 RWSXRVCMGQZWBV-WDSKDSINSA-N -1 307.328 DA -2.206 0 Mild ref DAEARM [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-] fda endogenous N[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O ZINC000003830893 76/60/26/372766026 RWSXRVCMGQZWBV-RITPCOANSA-N -1 307.328 DA -2.206 0 Mild ref DAEARM [NH3+][C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-] in-vitro biogenic Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000003875976 05/12/86/181051286 BIXYYZIIJIXVFW-UUOKFMHZSA-N 0 301.69 DA -1.327 0 Anodyne ref DAAARN Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O investigational CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000003995401 06/05/30/181060530 JADDQZYHOWSFJD-FLNNQWSLSA-N 0 308.298 DA -1.836 0 Anodyne ref DAAARN CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O in-vivo O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1 ZINC000004095646 76/64/97/372766497 FOGRQMPFHUHIGU-XVFCMESISA-N -2 324.182 DA -2.735 0 Anodyne ref DAAARL O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O)c(=O)[nH]1 in-man metabolite NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O ZINC000004095654 76/15/87/545761587 SYJXFKPQNSDJLI-HKEUSBCWSA-N 3 322.362 DA -5.116 1 Anodyne mid DAAAMP N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]1[NH3+] in-vivo NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O ZINC000004095654 76/15/70/545761570 SYJXFKPQNSDJLI-HKEUSBCWSA-N 4 322.362 DA -5.116 0 Anodyne ref DAAARP [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O in-vivo NC[C@H](CC[C@H](N)C(=O)O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000004096824 76/69/23/372766923 OWGKYELXGFKIHH-MHRCJKPHSA-N 1 324.33 DA -3.678 0 Anodyne ref DAABRO [NH3+]C[C@H](CC[C@H]([NH3+])C(=O)[O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O in-vitro NC[C@H](CC[C@H](N)C(=O)O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000004096825 07/27/48/181072748 OWGKYELXGFKIHH-YNULLNPISA-N 1 324.33 DA -3.678 0 Anodyne ref DAAARO [NH3+]C[C@H](CC[C@H]([NH3+])C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O in-vitro O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3 ZINC000004097652 39/10/38/296391038 LZAZURSABQIKGB-AEKGRLRDSA-N -1 307.258 DA -1.287 3 Anodyne high DAAAHM O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c([O-])c21)OCO3 in-vitro biogenic O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3 ZINC000004097652 39/10/37/296391037 LZAZURSABQIKGB-AEKGRLRDSA-N 0 307.258 DA -1.287 0 Anodyne ref DAAARN O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3 in-vitro biogenic CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000004214715 08/53/77/181085377 KBGAYAKRZNYFFG-BOHATCBPSA-N -1 309.271 DA -4.029 0 Anodyne ref DAAARM CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO investigational Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O ZINC000004475116 11/21/98/181112198 MYNRELUCFAQMFC-QRIDJOKKSA-N 0 320.309 DA -1.694 0 Anodyne ref DAAARN Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O in-vitro NC[C@@H](CC[C@H](N)C(=O)O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000005113887 39/13/15/303391315 OWGKYELXGFKIHH-UTTCWKRISA-N 1 324.33 DA -3.678 0 Anodyne ref DAAARO [NH3+]C[C@@H](CC[C@H]([NH3+])C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O in-vitro OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000006092865 31/21/69/181312169 ILRCGYURZSFMEG-RKQHYHRCSA-N 0 300.307 DA -1.249 0 Anodyne ref DAAARN OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O in-vitro biogenic Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c3ncnc1c23 ZINC000007992842 62/95/47/190629547 HOGVTUZUJGHKPL-LJUQJJLCSA-N 0 320.309 DA -1.488 3 Anodyne high DAAAHN Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c3ncnc1c23 in-vitro Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c3ncnc1c23 ZINC000007992842 62/95/44/190629544 HOGVTUZUJGHKPL-LJUQJJLCSA-N 1 320.309 DA -1.488 0 Anodyne ref DAAARO Cn1[nH+]c(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c3ncnc1c23 in-vitro CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O ZINC000012496319 82/46/98/545824698 UKOTXHQERFPCBU-XBXCNEFVSA-N 0 312.318 DA -1.867 0 Mild ref DAEARN CC1C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)C(=O)C1=O in-vitro Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23 ZINC000013783254 80/22/15/372802215 HOGVTUZUJGHKPL-CEHQXXPXSA-N 0 320.309 DA -1.488 3 Anodyne high DAAAHN Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23 in-vitro Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23 ZINC000013783254 80/22/02/372802202 HOGVTUZUJGHKPL-CEHQXXPXSA-N 1 320.309 DA -1.488 0 Anodyne ref DAAARO Cn1[nH+]c(N)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23 in-vitro Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c3ncnc1c23 ZINC000027646810 78/75/93/372787593 HOGVTUZUJGHKPL-GURMABIDSA-N 0 320.309 DA -1.488 3 Anodyne high DAAAHN Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c3ncnc1c23 in-vitro Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c3ncnc1c23 ZINC000027646810 78/75/75/372787575 HOGVTUZUJGHKPL-GURMABIDSA-N 1 320.309 DA -1.488 0 Anodyne ref DAAARO Cn1[nH+]c(N)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c3ncnc1c23 in-vitro C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(S)c21 ZINC000033753218 79/23/26/372792326 RFHIWBUKNJIBSE-KQYNXXCUSA-O 1 314.347 DA -2.262 0 Anodyne ref DAAARO Cn1c[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=S)c21 in-vitro N=C1N[C@H]2O[C@@H]3[C@@]4(O)O[C@H]5[C@@H](O)[C@]3(N1)[C@@H]2[C@@H](O4)[C@@]5(O)CO ZINC000034203327 23/24/96/303232496 STNXQECXKDMLJK-PZKHIREQSA-N 1 301.255 DA -4.265 0 Anodyne ref DAABRO NC1=[NH+][C@H]2O[C@@H]3[C@@]4(O)O[C@H]5[C@@H](O)[C@]3(N1)[C@@H]2[C@@H](O4)[C@@]5(O)CO in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000043772533 38/56/89/183385689 ABEWVEHXYZBELZ-LCZOEFHHSA-N -1 313.27 DA -3.523 3 Anodyne high DAABHM Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[n-]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000043772533 38/56/88/183385688 ABEWVEHXYZBELZ-LCZOEFHHSA-N -1 313.27 DA -3.523 1 Anodyne mid DAABMM Nc1nc2c([n-]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000043772533 38/56/87/183385687 ABEWVEHXYZBELZ-LCZOEFHHSA-N 0 313.27 DA -3.523 0 Anodyne ref DAABRN Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 in-vitro NC[C@@H](CC[C@H](N)C(=O)O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000045789106 80/44/35/372804435 OWGKYELXGFKIHH-IOBOJMKYSA-N 1 324.33 DA -3.678 0 Anodyne ref DAABRO [NH3+]C[C@@H](CC[C@H]([NH3+])C(=O)[O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000064858438 30/49/63/184304963 ABEWVEHXYZBELZ-LPWJYYESSA-N -1 313.27 DA -3.523 3 Anodyne high DAABHM Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000064858438 30/49/61/184304961 ABEWVEHXYZBELZ-LPWJYYESSA-N -1 313.27 DA -3.523 1 Anodyne mid DAABMM Nc1nc2c([n-]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000064858438 30/49/60/184304960 ABEWVEHXYZBELZ-LPWJYYESSA-N 0 313.27 DA -3.523 0 Anodyne ref DAABRN Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000064858443 30/46/46/184304646 ABEWVEHXYZBELZ-GFKUXRSRSA-N -1 313.27 DA -3.523 3 Anodyne high DAABHM Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[n-]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000064858443 30/46/44/184304644 ABEWVEHXYZBELZ-GFKUXRSRSA-N -1 313.27 DA -3.523 1 Anodyne mid DAABMM Nc1nc2c([n-]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000064858443 30/46/43/184304643 ABEWVEHXYZBELZ-GFKUXRSRSA-N 0 313.27 DA -3.523 0 Anodyne ref DAABRN Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000064858446 30/47/65/184304765 ABEWVEHXYZBELZ-HBGVPEAKSA-N -1 313.27 DA -3.523 3 Anodyne high DAABHM Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[n-]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000064858446 30/47/62/184304762 ABEWVEHXYZBELZ-HBGVPEAKSA-N -1 313.27 DA -3.523 1 Anodyne mid DAABMM Nc1nc2c([n-]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 in-vitro Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000064858446 30/47/59/184304759 ABEWVEHXYZBELZ-HBGVPEAKSA-N 0 313.27 DA -3.523 0 Anodyne ref DAABRN Nc1nc2c([nH]c(=O)n2C[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 in-vitro