186 SMILES Strings for Sodium channel protein type 3 subunit alpha

Compound Name
SMILES String
c1cc2c(cc1SC(F)(F)F)sc(n2)N
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1F)S(=O)(=O)Nc1ncns1
Fc1cc(Oc2ccc(cc2-c2ccnnc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1nncs1
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
CCN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cscn1
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc2ccccc2[nH]1 |r|
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c[nH]1 |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)sc2C1 |r|
Nc1nc2CCC(CNC(=O)c3cc(Br)c(Br)[nH]3)Cc2s1
Nc1nc2CCC(CNC(=O)c3cc(Br)c[nH]3)Cc2s1
Nc1nc2CCC(CNC(=O)c3ccc[nH]3)Cc2s1
Nc1nc2CC[C@@H](Cc2s1)NCc1ccc[nH]1 |r|
Nc1nc2CCC(CNC(=O)[C@@H]3CCCN3)Cc2s1
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1ccco1 |r|
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Cn1cccc1C(=O)N[C@H]1CCc2nc(N)sc2C1 |r|
Nc1nc2CCC(CNC(=O)c3cc4ccccc4[nH]3)Cc2s1
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2nc(N)sc2C1 |r|
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1ccc[nH]1 |r|
Nc1nc2CC[C@@H](Cc2s1)NC(=O)[C@@H]1CCCN1
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2c[nH]c3ccccc23)c1
CNc1nc(c[nH]1)-c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
Nc1nc(c[nH]1)-c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)[C@H]2CCCN2)c1 |r|
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2ccc[nH]2)c1
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
CCN(CC)CC(=O)Nc1c(cccc1C)C
CNc1nc(cn1C(=O)OC(C)(C)C)-c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
CNc1nc(cn1C(=O)OC(C)(C)C)-c1cccc(NC(=O)c2ccco2)c1
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)[C@H]2CCCN2)cc1 |r|
Nc1nc(c[nH]1)-c1cccc(NC(=O)c2c[nH]c3ccccc23)c1
Nc1nc(c[nH]1)-c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2cc[nH]c2)c1
Nc1nc(c[nH]1)-c1ccc(NC(=O)c2ccc[nH]2)cc1
Nc1nc(c[nH]1)-c1cccc(NC(=O)c2ccc[nH]2)c1
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)[C@@H]2CCCN2)cc1 |r|
Nc1nc(c[nH]1)-c1ccc(NC(=O)[C@H]2CCCN2)cc1
Nc1nc(c[nH]1)-c1ccc(NC(=O)[C@@H]2CCCN2)cc1
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)c2ccco2)cc1
Nc1nc(cn1C(=O)c1ccc[nH]1)-c1cccc(NC(=O)c2ccc[nH]2)c1
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)c2ccc[nH]2)cc1
[H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O |r|
Fc1ccc2n(nc(OCCN3CCNC3=O)c2c1)-c1ccccc1F
F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
CCCCNc1ccc(cc1)C(=O)OCCN(C)C
[H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r|
C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O
NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r|
C[C@@H](N1CC[C@H](C1)n1nc(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12)c1cc(Cl)cc(Cl)c1 |r|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(=O)N)F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(ccc3Cl)C(F)(F)F)CC2)cc1F
CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)NC(=O)[C@@H](N)CC(O)=O |r|
C[C@H]([C@H](N)c1nc2ccc(cc2[nH]1)C(C)(C)C)C(N)=O
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](C)C(N)=O)NC1=O |r|
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC1=O |r|
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r|
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC2=O)C(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O |r|
Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F |r|
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
NC(=O)CNC1CCc2cc(OCc3ccccc3F)ccc12
NC(=O)[C@@H]1CSc2cc(OCc3ccccc3F)ccc2CN1 |r|
NC(=O)C1Cc2cc(OCc3ccccc3F)ccc2CN1
NC(=O)CN1Cc2ccc(OCc3ccccc3F)cc2C1
CC(N1CCOc2cc(OCc3ccccc3F)ccc2C1)C(N)=O
NC(=O)CN1CCOc2cc(OCc3ccccc3)ccc2C1
NC(=O)CN1CCCc2cc(OCc3ccccc3F)ccc2C1
C[C@H](N1CCc2cc(OCc3ccccc3F)ccc2C1)C(N)=O |r|
Fc1ccccc1COc1ccc(CNC2CCNC2=O)cc1
Fc1ccccc1COc1ccc(CN2CCNC(=O)C2)cc1
NC(=O)CNCc1ccc(OCc2ccccc2F)cc1
C[C@H](NC1CCCc2cc(OCc3ccccc3F)ccc12)C(N)=O |r|
C[C@H](NC1CCOc2cc(OCc3ccccc3F)ccc12)C(N)=O |r|
NC(=O)C1CCC(N1)c1ccc(OCc2ccccc2F)cc1
C[C@H](N1CCCC1c1ccc(OCc2ccccc2F)cc1)C(N)=O |r|
NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2ccccc2F)cc1 |r|
NC(=O)[C@H]1CC[C@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
NC(=O)[C@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
NC(=O)[C@@H]1CC[C@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
NC(=O)[C@@H]1CCC[C@@H](N1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@H]1CCC[C@H](N1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CSC[C@@H](N1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccc(F)cc2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccc(cc2)C#N)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2cccc(c2)C#N)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2C#N)cc1 |r|
C[C@@H](Oc1ccc(cc1)[C@H]1CC[C@H](N1)C(N)=O)c1ccccc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1F |r|
CN1[C@@H](CC[C@@H]1c1ccc(OCc2ccccc2F)cc1)C(N)=O |r|
CNC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
COc1cc(ccc1OCc1ccccc1F)[C@H]1CC[C@H](N1)C(N)=O |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)c(c1)C#N |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cn1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2ccc(F)cc2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2ccccc2C#N)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1cccc(Oc2ccccc2)c1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1cccc(OCc2ccccc2)c1 |r|
FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC1=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
[H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4CCCCc34)C1(O)O)C(=N)N[C@H]2CN1C(=O)CCC1=O |r|
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2-c2ccccc2)cc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2Cc2ccc(Cl)cc2)cc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)c(Br)n2-c2ccccc2)cc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)c(Br)n2Cc2ccccc2)cc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1
O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccn1-c1ccccc1
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccn1-c1ccccc1
O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccn1Cc1ccccc1
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccn1Cc1ccccc1
O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccn1Cc1ccc(Cl)cc1
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccn1Cc1ccc(Cl)cc1
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Br)c(Br)n1-c1ccccc1
O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(Br)c(Br)n1Cc1ccccc1
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Br)c(Br)n1Cc1ccccc1
O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1C[C@H]1c1ccccc1
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1c1ccc(F)c(F)c1
O=C(Nc1nccs1)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1
CS(=O)(=O)NC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)n2-c2ccccc2)cc1
CS(=O)(=O)NC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)n2Cc2ccccc2)cc1
CS(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccn2Cc2ccc(Cl)cc2)cc1
CN(C)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccn2Cc2ccc(Cl)cc2)cc1
CN(C)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1
CN(C)S(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1
CS(=O)(=O)NC(=O)c1ccc(NC(=O)C2CC2c2ccc(F)c(F)c2)cc1
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(C)(=O)=O)cc1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(C)(=O)=O)cc1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(=O)(=O)N(C)C)cc1
CS(=O)(=O)NC(=O)c1cccc(OC[C@@H]2C[C@H]2c2ccccc2)c1
CS(=O)(=O)NC(=O)c1ccc(OC[C@@H]2C[C@H]2c2ccccc2)cc1
Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CC(C)c2ccccc2)cc1
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)no1
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccnc2)cc1
Cc1nn(C)cc1/C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
CC(CCc1ccc(O)cc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
Cc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1Cc2cc(Cl)ccc2O1
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1
CC1CCCC(C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1
CC(NS(=O)(=O)c1ccc(C2=CC(c3ccc(Cl)cc3)n3nnnc3N2)cc1)C(=O)O
CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
CC1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)c1C
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@H]1c1ccccc1
NCCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc6cnc[nH]6)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2)C(N)=O |r|
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)|
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)|
Clc1cc(Cl)cc(c1)[C@H]1CCN(C1)[C@H]1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1nccs1 |r|
NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
FC(F)(F)c1cc(CNC(=O)c2ccc(cc2)S(=O)(=O)Nc2ncc(Cl)s2)ccc1Cl
CC(=O)N[C@H](COC)C(=O)NCc1ccccc1
FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
O=C(NCc1noc(n1)-c1nn(CCn2ccnc2)c2ccccc12)c1ccccc1
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1nocc1C(=O)Nc1ccc(c(N)n1)-c1ccccc1OC(F)(F)F
CNC(=O)c1cnc(N)c(c1)-c1cc(Cl)cc(Cl)c1Cl
CC(=O)Nc1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
CNC(=O)c1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(N)=O |r|
Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)|