CHEMBL1006 |
CHEMBL1006 |
NCCCNCCSP(=O)(O)O |
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CHEMBL1009 |
CHEMBL1009 |
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O |
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CHEMBL101253 |
CHEMBL101253 |
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 |
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CHEMBL1016 |
CHEMBL1016 |
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 |
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CHEMBL1029 |
CHEMBL1029 |
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
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CHEMBL103667 |
CHEMBL103667 |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 |
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CHEMBL1046 |
CHEMBL1046 |
NCCCCCC(=O)O |
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CHEMBL106 |
CHEMBL106 |
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F |
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CHEMBL1062 |
CHEMBL1062 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
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CHEMBL1082 |
CHEMBL1082 |
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O |
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CHEMBL1086997 |
CHEMBL1086997 |
CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |
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CHEMBL1095032 |
CHEMBL1095032 |
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1 |
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CHEMBL1103 |
CHEMBL1103 |
O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1 |
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CHEMBL110458 |
CHEMBL110458 |
OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |
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CHEMBL1105 |
CHEMBL1105 |
COc1ccc2cc(CC(=O)O)ccc2c1 |
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CHEMBL1116 |
CHEMBL1116 |
Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 |
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CHEMBL112 |
CHEMBL112 |
CC(=O)Nc1ccc(O)cc1 |
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CHEMBL113 |
CHEMBL113 |
Cn1c(=O)c2c(ncn2C)n(C)c1=O |
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CHEMBL114715 |
CHEMBL114715 |
N=C(N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O |
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CHEMBL1159 |
CHEMBL1159 |
CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C |
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CHEMBL116 |
CHEMBL116 |
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |
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CHEMBL1166 |
CHEMBL1166 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1 |
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CHEMBL119 |
CHEMBL119 |
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC |
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CHEMBL119385 |
CHEMBL119385 |
O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl |
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CHEMBL1200624 |
CHEMBL1200624 |
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C |
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CHEMBL1201207 |
CHEMBL1201207 |
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)COP(=O)(O)O |
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CHEMBL1222251 |
CHEMBL1222251 |
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |
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CHEMBL1241348 |
CHEMBL1241348 |
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O |
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CHEMBL124660 |
CHEMBL124660 |
COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1 |
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CHEMBL1256819 |
CHEMBL1256819 |
Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 |
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CHEMBL1276308 |
CHEMBL1276308 |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C |
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CHEMBL12856 |
CHEMBL12856 |
Nc1cc(-c2ccncc2)c[nH]c1=O |
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CHEMBL1289 |
CHEMBL1289 |
Clc1cc(Cl)c(OCC#CI)cc1Cl |
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CHEMBL1336 |
CHEMBL1336 |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 |
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CHEMBL1339 |
CHEMBL1339 |
CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl |
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CHEMBL135 |
CHEMBL135 |
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O |
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CHEMBL1358 |
CHEMBL1358 |
C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O |
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CHEMBL1365675 |
CHEMBL1365675 |
Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1 |
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CHEMBL1370561 |
CHEMBL1370561 |
Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN |
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CHEMBL13828 |
CHEMBL13828 |
O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 |
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View |
CHEMBL1405 |
CHEMBL1405 |
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O |
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View |
CHEMBL141305 |
CHEMBL141305 |
CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1 |
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View |
CHEMBL142635 |
CHEMBL142635 |
COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 |
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CHEMBL145 |
CHEMBL145 |
O=C(O)/C=C/c1ccc(O)c(O)c1 |
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View |
CHEMBL14762 |
CHEMBL14762 |
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |
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CHEMBL1496 |
CHEMBL1496 |
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O |
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CHEMBL1520 |
CHEMBL1520 |
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 |
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CHEMBL1536 |
CHEMBL1536 |
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 |
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CHEMBL1561 |
CHEMBL1561 |
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
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CHEMBL1580 |
CHEMBL1580 |
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O |
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CHEMBL1642 |
CHEMBL1642 |
CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
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CHEMBL17 |
CHEMBL17 |
NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 |
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CHEMBL1721885 |
CHEMBL1721885 |
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 |
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CHEMBL1737 |
CHEMBL1737 |
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O |
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CHEMBL174 |
CHEMBL174 |
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O |
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CHEMBL177 |
CHEMBL177 |
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O |
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CHEMBL17962 |
CHEMBL17962 |
N[C@@H](Cc1c[nH]cn1)C(=O)O |
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CHEMBL18 |
CHEMBL18 |
CCOc1ccc2nc(S(N)(=O)=O)sc2c1 |
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CHEMBL186141 |
CHEMBL186141 |
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O |
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CHEMBL188921 |
CHEMBL188921 |
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 |
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View |
CHEMBL189 |
CHEMBL189 |
Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 |
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CHEMBL19 |
CHEMBL19 |
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C |
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CHEMBL190 |
CHEMBL190 |
Cn1c(=O)c2[nH]cnc2n(C)c1=O |
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CHEMBL192 |
CHEMBL192 |
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 |
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CHEMBL1922235 |
CHEMBL1922235 |
COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1 |
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CHEMBL19224 |
CHEMBL19224 |
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC |
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View |
CHEMBL19633 |
CHEMBL19633 |
COc1ccc(Cc2cnc(N)nc2N)cc1OC |
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CHEMBL20 |
CHEMBL20 |
CC(=O)Nc1nnc(S(N)(=O)=O)s1 |
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CHEMBL2016757 |
CHEMBL2016757 |
N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O |
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CHEMBL206335 |
CHEMBL206335 |
CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 |
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CHEMBL206834 |
CHEMBL206834 |
Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 |
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CHEMBL21 |
CHEMBL21 |
Nc1ccc(S(N)(=O)=O)cc1 |
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CHEMBL2110680 |
CHEMBL2110680 |
COc1cc([S+](C)[O-])ccc1-c1nc2cnccc2[nH]1 |
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CHEMBL215152 |
CHEMBL215152 |
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 |
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CHEMBL217092 |
CHEMBL217092 |
CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1 |
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CHEMBL218490 |
CHEMBL218490 |
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 |
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CHEMBL22 |
CHEMBL22 |
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |
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CHEMBL220050 |
CHEMBL220050 |
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O |
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CHEMBL220491 |
CHEMBL220491 |
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 |
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CHEMBL220492 |
CHEMBL220492 |
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1 |
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CHEMBL221959 |
CHEMBL221959 |
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 |
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CHEMBL2220442 |
CHEMBL2220442 |
CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 |
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CHEMBL223360 |
CHEMBL223360 |
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 |
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CHEMBL225072 |
CHEMBL225072 |
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 |
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CHEMBL24 |
CHEMBL24 |
CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 |
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CHEMBL242948 |
CHEMBL242948 |
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O |
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CHEMBL24828 |
CHEMBL24828 |
COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 |
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CHEMBL259084 |
CHEMBL259084 |
O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 |
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CHEMBL266349 |
CHEMBL266349 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1 |
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CHEMBL267345 |
CHEMBL267345 |
C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O |
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CHEMBL270515 |
CHEMBL270515 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O |
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CHEMBL273196 |
CHEMBL273196 |
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N |
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CHEMBL273264 |
CHEMBL273264 |
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 |
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CHEMBL274323 |
CHEMBL274323 |
N[C@@H](CC(=O)O)C(=O)O |
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CHEMBL276711 |
CHEMBL276711 |
Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 |
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CHEMBL280378 |
CHEMBL280378 |
CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1 |
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View |
CHEMBL28079 |
CHEMBL28079 |
CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1 |
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View |
CHEMBL281872 |
CHEMBL281872 |
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1 |
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View |
CHEMBL284348 |
CHEMBL284348 |
Nc1ccncc1 |
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CHEMBL284483 |
CHEMBL284483 |
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O |
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CHEMBL286020 |
CHEMBL286020 |
COc1cc([S+](C)[O-])ccc1-c1nc2cccnc2[nH]1 |
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CHEMBL286452 |
CHEMBL286452 |
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O |
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View |
CHEMBL288441 |
CHEMBL288441 |
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl |
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View |
CHEMBL290106 |
CHEMBL290106 |
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O |
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View |
CHEMBL290916 |
CHEMBL290916 |
CC1=NN(c2ccccc2)C(=O)C1 |
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View |
CHEMBL296373 |
CHEMBL296373 |
CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 |
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View |
CHEMBL296419 |
CHEMBL296419 |
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 |
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View |
CHEMBL296468 |
CHEMBL296468 |
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 |
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View |
CHEMBL299613 |
CHEMBL299613 |
COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 |
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View |
CHEMBL30008 |
CHEMBL30008 |
Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 |
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View |
CHEMBL301523 |
CHEMBL301523 |
N[C@@H](Cc1ccccc1)C(=O)O |
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View |
CHEMBL305686 |
CHEMBL305686 |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O |
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View |
CHEMBL307429 |
CHEMBL307429 |
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O |
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View |
CHEMBL3084803 |
CHEMBL3084803 |
CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN |
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View |
CHEMBL31 |
CHEMBL31 |
COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 |
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View |
CHEMBL313842 |
CHEMBL313842 |
COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F |
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View |
CHEMBL314854 |
CHEMBL314854 |
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 |
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View |
CHEMBL31965 |
CHEMBL31965 |
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 |
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View |
CHEMBL32039 |
CHEMBL32039 |
COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC |
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View |
CHEMBL3215298 |
CHEMBL3215298 |
CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O |
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CHEMBL325041 |
CHEMBL325041 |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |
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CHEMBL32749 |
CHEMBL32749 |
COc1cc(/C=C/C(=O)O)ccc1O |
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CHEMBL3354637 |
CHEMBL3354637 |
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(F)c1 |
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CHEMBL34259 |
CHEMBL34259 |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 |
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CHEMBL34431 |
CHEMBL34431 |
CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1 |
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CHEMBL35 |
CHEMBL35 |
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl |
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CHEMBL356323 |
CHEMBL356323 |
Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1 |
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CHEMBL36 |
CHEMBL36 |
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 |
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CHEMBL37390 |
CHEMBL37390 |
CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C |
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CHEMBL376180 |
CHEMBL376180 |
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 |
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CHEMBL402548 |
CHEMBL402548 |
CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 |
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CHEMBL411 |
CHEMBL411 |
CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 |
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CHEMBL415690 |
CHEMBL415690 |
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO |
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CHEMBL417975 |
CHEMBL417975 |
CC(C)CN[C@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21 |
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CHEMBL419 |
CHEMBL419 |
NCc1ccc(S(N)(=O)=O)cc1 |
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CHEMBL428690 |
CHEMBL428690 |
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 |
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CHEMBL429694 |
CHEMBL429694 |
Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+] |
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CHEMBL435 |
CHEMBL435 |
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O |
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CHEMBL44 |
CHEMBL44 |
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 |
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CHEMBL441687 |
CHEMBL441687 |
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
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CHEMBL441738 |
CHEMBL441738 |
CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C |
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CHEMBL44426 |
CHEMBL44426 |
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 |
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CHEMBL445813 |
CHEMBL445813 |
O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl |
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CHEMBL456 |
CHEMBL456 |
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl |
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CHEMBL45816 |
CHEMBL45816 |
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |
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CHEMBL46740 |
CHEMBL46740 |
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 |
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CHEMBL476960 |
CHEMBL476960 |
OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
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CHEMBL477 |
CHEMBL477 |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
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CHEMBL477772 |
CHEMBL477772 |
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O |
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CHEMBL482968 |
CHEMBL482968 |
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1 |
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CHEMBL483321 |
CHEMBL483321 |
COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 |
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CHEMBL48361 |
CHEMBL48361 |
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21 |
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CHEMBL48449 |
CHEMBL48449 |
C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1 |
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CHEMBL485259 |
CHEMBL485259 |
CC12CCC(CC1)C(C)(C)O2 |
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CHEMBL4863829 |
CHEMBL4863829 |
CC(C)C(=O)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O |
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CHEMBL49035 |
CHEMBL49035 |
CC1(C)Oc2ccc(C#N)cc2C(N2CCCC2=O)C1O |
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CHEMBL495727 |
CHEMBL495727 |
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 |
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CHEMBL496 |
CHEMBL496 |
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl |
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CHEMBL50 |
CHEMBL50 |
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
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CHEMBL502620 |
CHEMBL502620 |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC |
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CHEMBL50588 |
CHEMBL50588 |
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 |
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CHEMBL508102 |
CHEMBL508102 |
CCOC(=O)n1ccn(C)c1=S |
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CHEMBL511115 |
CHEMBL511115 |
COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1 |
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CHEMBL515914 |
CHEMBL515914 |
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
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CHEMBL517712 |
CHEMBL517712 |
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2 |
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CHEMBL522892 |
CHEMBL522892 |
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 |
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CHEMBL5314360 |
CHEMBL5314360 |
CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC |
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CHEMBL5314374 |
CHEMBL5314374 |
CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
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CHEMBL535 |
CHEMBL535 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C |
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CHEMBL53538 |
CHEMBL53538 |
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)nc12 |
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CHEMBL545315 |
CHEMBL545315 |
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1.Cl.Cl |
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CHEMBL553 |
CHEMBL553 |
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 |
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CHEMBL554 |
CHEMBL554 |
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 |
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CHEMBL558752 |
CHEMBL558752 |
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 |
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CHEMBL564829 |
CHEMBL564829 |
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2 |
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CHEMBL572878 |
CHEMBL572878 |
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 |
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CHEMBL572881 |
CHEMBL572881 |
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 |
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CHEMBL574738 |
CHEMBL574738 |
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 |
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CHEMBL601719 |
CHEMBL601719 |
C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl |
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CHEMBL607707 |
CHEMBL607707 |
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C |
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CHEMBL608533 |
CHEMBL608533 |
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
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CHEMBL629 |
CHEMBL629 |
CN(C)CCC=C1c2ccccc2CCc2ccccc21 |
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CHEMBL63 |
CHEMBL63 |
COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1 |
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CHEMBL642 |
CHEMBL642 |
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1 |
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CHEMBL64894 |
CHEMBL64894 |
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-] |
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CHEMBL712 |
CHEMBL712 |
COc1ccc(C2C(=O)c3ccccc3C2=O)cc1 |
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CHEMBL734 |
CHEMBL734 |
CC(=O)NO |
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CHEMBL747 |
CHEMBL747 |
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |
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CHEMBL7492 |
CHEMBL7492 |
COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 |
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CHEMBL768 |
CHEMBL768 |
COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 |
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CHEMBL77517 |
CHEMBL77517 |
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 |
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CHEMBL779 |
CHEMBL779 |
CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O |
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CHEMBL81 |
CHEMBL81 |
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 |
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CHEMBL8145 |
CHEMBL8145 |
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 |
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CHEMBL8184 |
CHEMBL8184 |
CCCCNc1c(C(=O)OCC)cnc2c1cnn2CC |
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CHEMBL8260 |
CHEMBL8260 |
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 |
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CHEMBL83 |
CHEMBL83 |
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
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CHEMBL844 |
CHEMBL844 |
Brc1c(NC2=NCCN2)ccc2nccnc12 |
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CHEMBL865 |
CHEMBL865 |
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 |
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CHEMBL87563 |
CHEMBL87563 |
CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1 |
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CHEMBL90 |
CHEMBL90 |
NCCc1c[nH]cn1 |
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CHEMBL917 |
CHEMBL917 |
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F |
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CHEMBL91829 |
CHEMBL91829 |
CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1 |
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CHEMBL932 |
CHEMBL932 |
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 |
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CHEMBL939 |
CHEMBL939 |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 |
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CHEMBL941 |
CHEMBL941 |
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
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CHEMBL945 |
CHEMBL945 |
N=C(N)NC(=O)c1nc(Cl)c(N)nc1N |
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CHEMBL98 |
CHEMBL98 |
O=C(CCCCCCC(=O)Nc1ccccc1)NO |
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CHEMBL980 |
CHEMBL980 |
COc1ccccc1OCC(O)CO |
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CHEMBL989 |
CHEMBL989 |
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 |
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