COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC ZINC000001542392 33/21/53/209332153 WNMJYKCGWZFFKR-AWEZNQCLSA-N 1 389.456 GD 1.351 2 Anodyne low GDAALO COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)[nH+]c(N)c2cc1OC fda COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC ZINC000001542392 33/21/47/209332147 WNMJYKCGWZFFKR-AWEZNQCLSA-N 1 389.456 GD 1.351 1 Anodyne mid GDAAMO COc1cc2[nH+]c(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC fda COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC ZINC000001542392 33/21/41/209332141 WNMJYKCGWZFFKR-AWEZNQCLSA-N 0 389.456 GD 1.351 0 Anodyne ref GDAARN COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC fda C(=N\NC1=NCCN1)\c1c2ccccc2c(/C=N\NC2=NCCN2)c2ccccc12 ZINC000001550957 26/46/32/570264632 NJSMWLQOCQIOPE-JEGUCOMDSA-N 0 398.474 GD 1.758 0 Mild ref GDEBRN C(=NNC1=NCCN1)c1c2ccccc2c(C=NNC2=NCCN2)c2ccccc12 in-man COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC ZINC000001843099 39/30/24/206393024 WNMJYKCGWZFFKR-CQSZACIVSA-N 1 389.456 GD 1.351 2 Anodyne low GDAALO COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)[nH+]c(N)c2cc1OC fda COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC ZINC000001843099 39/30/21/206393021 WNMJYKCGWZFFKR-CQSZACIVSA-N 1 389.456 GD 1.351 1 Anodyne mid GDAAMO COc1cc2[nH+]c(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC fda COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC ZINC000001843099 39/30/17/206393017 WNMJYKCGWZFFKR-CQSZACIVSA-N 0 389.456 GD 1.351 0 Anodyne ref GDAARN COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC fda COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000003607120 01/57/25/204015725 XUBOMFCQGDBHNK-SNVBAGLBSA-N -1 375.4 GD 1.98 3 Anodyne high GDAAHM COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12 fda aggregator COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000003607120 01/57/18/204015718 XUBOMFCQGDBHNK-SNVBAGLBSA-N 0 375.4 GD 1.98 0 Anodyne ref GDAARN COc1c(N2CC[NH2+][C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12 fda aggregator CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C ZINC000003780014 02/02/59/204020259 NITYDPDXAAFEIT-DYVFJYSZSA-N -1 388.468 GD 1.499 3 Mild high GDEAHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)N[O-])CC(C)C in-man CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C ZINC000003780014 02/02/56/204020256 NITYDPDXAAFEIT-DYVFJYSZSA-N 0 388.468 GD 1.499 0 Mild ref GDEARN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C in-man CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O ZINC000003791297 66/48/59/220664859 GBXSMTUPTTWBMN-XIRDDKMYSA-N -1 376.453 GD 1.605 0 Anodyne ref GDAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] fda CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000003824412 53/49/99/530534999 KJFBVJALEQWJBS-XUXIUFHCSA-N 1 376.24 GD 1.775 2 Anodyne low GDAALO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O in-man CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000003824412 53/49/97/530534997 KJFBVJALEQWJBS-XUXIUFHCSA-N 0 376.24 GD 1.775 0 Anodyne ref GDAARN CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O in-man CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C ZINC000003872718 70/19/41/570701941 NITYDPDXAAFEIT-GUYCJALGSA-N -1 388.468 GD 1.499 3 Mild high GDEAHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N[O-])CC(C)C CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C ZINC000003872718 70/19/39/570701939 NITYDPDXAAFEIT-GUYCJALGSA-N 0 388.468 GD 1.499 0 Mild ref GDEARN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C ZINC000003872719 70/19/37/570701937 NITYDPDXAAFEIT-SUMWQHHRSA-N -1 388.468 GD 1.499 3 Mild high GDEAHM CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N[O-])CC(C)C CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C ZINC000003872719 70/19/33/570701933 NITYDPDXAAFEIT-SUMWQHHRSA-N 0 388.468 GD 1.499 0 Mild ref GDEARN CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C ZINC000003872720 70/20/80/570702080 NITYDPDXAAFEIT-CXAGYDPISA-N -1 388.468 GD 1.499 3 Mild high GDEAHM CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)N[O-])CC(C)C CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C ZINC000003872720 70/20/77/570702077 NITYDPDXAAFEIT-CXAGYDPISA-N 0 388.468 GD 1.499 0 Mild ref GDEARN CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO ZINC000003875332 35/29/80/570352980 UREBDLICKHMUKA-CXSFZGCWSA-N 0 392.467 GD 1.896 0 Mild ref GDEARN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO fda endogenous C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO ZINC000003876136 02/17/16/204021716 UREBDLICKHMUKA-DVTGEIKXSA-N 0 392.467 GD 1.896 0 Mild ref GDEARN C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO fda Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F ZINC000003938688 02/26/20/204022620 KDKUVYLMPJIGKA-UHFFFAOYSA-N 0 394.363 GD 1.218 0 Anodyne ref GDAARN Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F in-vivo CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000011616911 55/44/86/530554486 KJFBVJALEQWJBS-YIYPIFLZSA-N 1 376.24 GD 1.775 2 Anodyne low GDAALO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000011616911 55/44/83/530554483 KJFBVJALEQWJBS-YIYPIFLZSA-N 0 376.24 GD 1.775 0 Anodyne ref GDAARN CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc2c(c1)OCCO2 ZINC000012370057 55/56/50/530555650 QFRLDZGQEZCCJZ-UHFFFAOYSA-N -1 379.379 GD 1.848 1 Clean mid GDCAMM O=c1[n-]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc2c(c1)OCCO2 in-vitro O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc2c(c1)OCCO2 ZINC000012370057 55/56/44/530555644 QFRLDZGQEZCCJZ-UHFFFAOYSA-N 0 379.379 GD 1.848 0 Clean ref GDCARN O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc2c(c1)OCCO2 in-vitro CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O ZINC000012503119 20/04/90/221200490 GBXSMTUPTTWBMN-UAGQMJEPSA-N -1 376.453 GD 1.605 0 Anodyne ref GDAARM CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] world CCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1 ZINC000013445764 75/53/05/570755305 HJPAGOZVVSAGKR-UHFFFAOYSA-N 0 379.416 GD 1.784 0 Anodyne ref GDABRN CCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1 O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000013563531 65/66/77/570656677 MSSXBKQZZINCRI-UHFFFAOYSA-N 1 387.4 GD 1.197 2 Bother low GDBALO O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1 in-vitro O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000013563531 65/66/73/570656673 MSSXBKQZZINCRI-UHFFFAOYSA-N 0 387.4 GD 1.197 0 Bother ref GDBARN O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 in-vitro O=C(O)C1=C/C(=N\Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O ZINC000014768602 22/61/30/560226130 OQANPHBRHBJGNZ-BKUYFWCQSA-N -1 398.4 GD 1.8 2 Mild low GDEALM O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O in-vitro O=C(O)C1=C/C(=N\Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O ZINC000014768602 22/61/28/560226128 OQANPHBRHBJGNZ-BKUYFWCQSA-N -2 398.4 GD 1.8 0 Mild ref GDEARL O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C=CC1=O in-vitro CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000032066965 60/48/86/530604886 KJFBVJALEQWJBS-AAVRWANBSA-N 1 376.24 GD 1.775 2 Anodyne low GDAALO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000032066965 60/48/82/530604882 KJFBVJALEQWJBS-AAVRWANBSA-N 0 376.24 GD 1.775 0 Anodyne ref GDAARN CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000038197764 57/92/22/570579222 XUBOMFCQGDBHNK-JTQLQIEISA-N -1 375.4 GD 1.98 3 Anodyne high GDAAHM COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12 fda aggregator COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000038197764 57/92/21/570579221 XUBOMFCQGDBHNK-JTQLQIEISA-N 0 375.4 GD 1.98 0 Anodyne ref GDAARN COc1c(N2CC[NH2+][C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12 fda aggregator Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1 ZINC000060328032 06/02/01/222060201 GMIZZEXBPRLVIV-SECBINFHSA-N 1 376.262 GD 1.941 0 Anodyne ref GDAARO Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCC[NH2+]C4)nc23)cn1 investigational Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCCNC4)nc23)cn1 ZINC000060328033 06/26/29/212062629 GMIZZEXBPRLVIV-VIFPVBQESA-N 1 376.262 GD 1.941 0 Anodyne ref GDAARO Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCC[NH2+]C4)nc23)cn1 in-vitro CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000084758480 17/64/94/211176494 MKMPWKUAHLTIBJ-ISTRZQFTSA-N 0 398.435 GD 1.142 3 Anodyne high GDAAHN CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 investigational CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000084758480 17/64/92/211176492 MKMPWKUAHLTIBJ-ISTRZQFTSA-N 1 398.435 GD 1.142 0 Anodyne ref GDAARO CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H]([NH3+])C1)C2 investigational NC(=O)c1cnc(N[C@@H]2CCCC[C@H]2N)nc1Nc1cccc(-n2nccn2)c1 ZINC000088261628 31/46/91/570314691 TXGKRVFSSHPBAJ-HZPDHXFCSA-N 1 393.455 GD 1.582 0 Anodyne ref GDABRO NC(=O)c1cnc(N[C@@H]2CCCC[C@H]2[NH3+])nc1Nc1cccc(-n2nccn2)c1 in-vitro NC(=O)c1cnc(N[C@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1 ZINC000088261629 31/45/09/570314509 TXGKRVFSSHPBAJ-HOTGVXAUSA-N 1 393.455 GD 1.582 0 Anodyne ref GDABRO NC(=O)c1cnc(N[C@H]2CCCC[C@@H]2[NH3+])nc1Nc1cccc(-n2nccn2)c1 in-vitro NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1 ZINC000095572830 27/83/08/211278308 TXGKRVFSSHPBAJ-JKSUJKDBSA-N 1 393.455 GD 1.582 0 Anodyne ref GDAARO NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2[NH3+])nc1Nc1cccc(-n2nccn2)c1 in-vitro COc1cc2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(N)c2cc1OC ZINC000095616599 89/56/22/536895622 VCKUSRYTPJJLNI-AWEZNQCLSA-N 1 387.44 GD 1.057 1 Anodyne mid GDAAMO COc1cc2[nH+]c(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(N)c2cc1OC fda COc1cc2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(N)c2cc1OC ZINC000095616599 89/56/20/536895620 VCKUSRYTPJJLNI-AWEZNQCLSA-N 0 387.44 GD 1.057 0 Anodyne ref GDAARN COc1cc2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(N)c2cc1OC fda COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1OC ZINC000095616600 89/50/36/536895036 VCKUSRYTPJJLNI-CQSZACIVSA-N 1 387.44 GD 1.057 1 Anodyne mid GDAAMO COc1cc2[nH+]c(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1OC fda COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1OC ZINC000095616600 89/50/33/536895033 VCKUSRYTPJJLNI-CQSZACIVSA-N 0 387.44 GD 1.057 0 Anodyne ref GDAARN COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1OC fda COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC ZINC000095616601 89/54/15/536895415 IENZQIKPVFGBNW-UHFFFAOYSA-N 1 383.408 GD 1.785 1 Anodyne mid GDAAMO COc1cc2[nH+]c(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC fda biogenic COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC ZINC000095616601 89/54/09/536895409 IENZQIKPVFGBNW-UHFFFAOYSA-N 0 383.408 GD 1.785 0 Anodyne ref GDAARN COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC fda biogenic CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@H](N)C1)C2 ZINC000097757509 30/20/13/206302013 MKMPWKUAHLTIBJ-MJEQTWJJSA-N 0 398.435 GD 1.142 3 Anodyne high GDABHN CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@H](N)C1)C2 CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@H](N)C1)C2 ZINC000097757509 30/20/06/206302006 MKMPWKUAHLTIBJ-MJEQTWJJSA-N 1 398.435 GD 1.142 0 Anodyne ref GDABRO CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@H]([NH3+])C1)C2 NC(=O)c1cnc(N[C@H]2CCCC[C@H]2N)nc1Nc1cccc(-n2nccn2)c1 ZINC000114808356 27/41/39/570274139 TXGKRVFSSHPBAJ-CVEARBPZSA-N 1 393.455 GD 1.582 0 Anodyne ref GDAARO NC(=O)c1cnc(N[C@H]2CCCC[C@H]2[NH3+])nc1Nc1cccc(-n2nccn2)c1 in-vitro CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000136786609 11/60/16/531116016 KJFBVJALEQWJBS-ZOBORPQBSA-N 1 376.24 GD 1.775 2 Anodyne low GDAALO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000136786609 11/60/11/531116011 KJFBVJALEQWJBS-ZOBORPQBSA-N 0 376.24 GD 1.775 0 Anodyne ref GDAARN CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000144152632 89/16/96/570891696 MKMPWKUAHLTIBJ-YLQAJVPDSA-N 0 398.435 GD 1.142 3 Anodyne high GDAAHN CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000144152632 89/16/90/570891690 MKMPWKUAHLTIBJ-YLQAJVPDSA-N 1 398.435 GD 1.142 0 Anodyne ref GDAARO CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@@H]([NH3+])C1)C2 CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000150039304 12/87/38/531128738 KJFBVJALEQWJBS-XJFOESAGSA-N 1 376.24 GD 1.775 2 Anodyne low GDAALO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000150039304 12/87/30/531128730 KJFBVJALEQWJBS-XJFOESAGSA-N 0 376.24 GD 1.775 0 Anodyne ref GDAARN CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O CN(C(=O)CNC(=O)/C=C/c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000198362743 02/65/49/531026549 AJCDZIDKYKCOMZ-AATRIKPKSA-N 0 384.885 GD 1.505 0 Anodyne ref GDAARN CN(C(=O)CNC(=O)/C=C/c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 in-vitro CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000207792763 69/55/20/570695520 MKMPWKUAHLTIBJ-NUTKFTJISA-N 0 398.435 GD 1.142 3 Anodyne high GDAAHN CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000207792763 69/55/17/570695517 MKMPWKUAHLTIBJ-NUTKFTJISA-N 1 398.435 GD 1.142 0 Anodyne ref GDAARO CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@@H]([NH3+])C1)C2 C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO ZINC000253530735 86/49/52/524864952 UREBDLICKHMUKA-QQAAOVSFSA-N 0 392.467 GD 1.896 0 Mild ref GDEARN C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO investigational C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO ZINC000253530736 35/48/72/525354872 UREBDLICKHMUKA-RXOJXLHTSA-N 0 392.467 GD 1.896 0 Mild ref GDEARN C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO investigational CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@H](N)C1)C2 ZINC000256068375 75/80/57/570758057 MKMPWKUAHLTIBJ-XGWLTEMNSA-N 0 398.435 GD 1.142 3 Anodyne high GDAAHN CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@H](N)C1)C2 CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@H](N)C1)C2 ZINC000256068375 75/80/50/570758050 MKMPWKUAHLTIBJ-XGWLTEMNSA-N 1 398.435 GD 1.142 0 Anodyne ref GDAARO CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@H]([NH3+])C1)C2 Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)N=C13)CCO2 ZINC000263584388 79/43/36/570794336 RMKJHJRLZXGKEN-DOTOQJQBSA-N 0 396.491 GD 1.743 3 Anodyne high GDABHN Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)N=C13)CCO2 Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)N=C13)CCO2 ZINC000263584388 79/43/26/570794326 RMKJHJRLZXGKEN-DOTOQJQBSA-N 1 396.491 GD 1.743 0 Anodyne ref GDABRO Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)[NH+]=C13)CCO2 Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)N=C13)CCO2 ZINC000263584389 79/43/96/570794396 RMKJHJRLZXGKEN-NVXWUHKLSA-N 0 396.491 GD 1.743 3 Anodyne high GDABHN Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)N=C13)CCO2 Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)N=C13)CCO2 ZINC000263584389 79/43/93/570794393 RMKJHJRLZXGKEN-NVXWUHKLSA-N 1 396.491 GD 1.743 0 Anodyne ref GDABRO Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)[NH+]=C13)CCO2 Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)N=C13)CCO2 ZINC000521205775 43/99/17/570439917 RMKJHJRLZXGKEN-RDJZCZTQSA-N 0 396.491 GD 1.743 3 Anodyne high GDABHN Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)N=C13)CCO2 Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)N=C13)CCO2 ZINC000521205775 43/99/08/570439908 RMKJHJRLZXGKEN-RDJZCZTQSA-N 1 396.491 GD 1.743 0 Anodyne ref GDABRO Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)[NH+]=C13)CCO2 Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)N=C13)CCO2 ZINC000521205780 44/00/35/570440035 RMKJHJRLZXGKEN-WBVHZDCISA-N 0 396.491 GD 1.743 3 Anodyne high GDABHN Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)N=C13)CCO2 Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)N=C13)CCO2 ZINC000521205780 44/00/31/570440031 RMKJHJRLZXGKEN-WBVHZDCISA-N 1 396.491 GD 1.743 0 Anodyne ref GDABRO Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)[NH+]=C13)CCO2