302 SMILES Strings for Dual specificity tyrosine-phosphorylation-regulated kinase 4

Compound Name
SMILES String
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Cc1nc(NCc2ncccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
COc1ccc2c(c1)[nH]c1c(C)nccc21
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
c1n[nH]c2ccc(cc12)-c1ccccc1
COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl
COC1=CC2C3C(NC2=O)=Cc2ccc(OC)cc2C3=C1OC |c:10,22,t:2|
COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1
C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nnc[nH]1
c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O
c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
Oc1ccc(cc1O)-c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1
CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r|
Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 |t:10|
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
CCOC(=O)c1c(C(C=N)C#N)c2ccc(Cl)c(Cl)c2n1C
Oc1ccc(cc1)-c1n[nH]c2ncc(cc12)-c1ccc(O)c(O)c1
CCNc1cc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N2CCOCC2)nc2[nH]cc(c12)C(F)(F)F
O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6|
CC(C)CC(=O)Nc1cncc(c1)-c1ccc2[nH]nc(-c3nc4cncc(-c5cccc(F)c5)c4[nH]3)c2c1
Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]
CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1
CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Oc1ccc(\C=C2/Sc3ccc(cc3NC2=O)S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1[N+]([O-])=O
CN(C)C\C=C\C(=O)N1CCCC[C@@H](C1)N1C(NC(=O)c2ccnc(C)c2)Nc2cccc(C)c12 |r|
CC(=O)c1nccc2c3ccccc3[nH]c12
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O
NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|
CN(c1cccc(C)c1)c1nccc(n1)-c1cnn2ncccc12
CN(C)c1nccc(n1)-c1cnn2ncccc12
COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
Cc1ccc(c(c1)[N+]([O-])=O)-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1
c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O
COc1ccc(\C=C2/SC(=S)NC2=O)cc1C#C[Si](C)(C)C
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
O=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1
COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)cc12
CCN1c2cc(ccc2S/C1=CC(=O)C)O
COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN
CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1
NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|
CCOc1ccc2nc(N3CCCN(CC3)C(=S)Nc3ccccc3F)c(cc2c1)C#N
COc1ccc2sc(nc2c1)-c1cncc(NC(C)=O)c1
CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3
CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Cc1cn2cc(ccc2n1)-c1ccncc1
CCN(CC)Cc1ccc(OC)c(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(C(O)=O)c(c1)C(C)C
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2nnsc2c1 |c:11|
Cc1nc2ccc(\C=C3/N=C(NC4CCCCC4)NC3=O)cc2s1 |t:9|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2scnc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2ncoc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]cnc2c1 |c:11|
Cn1cnc2ccc(\C=C3/N=C(NC4CCCCC4)NC3=O)cc12 |t:10|
Cn1cnc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]ncc2c1 |c:11|
Cn1ncc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|
Cn1cc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc2n1 |t:8|
O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]ccc2c1 |c:11|
Cn1ccc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:12|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2nnsc2c1 |c:12|
Cc1nc2ccc(\C=C3/N=C(NC4CCCCCC4)NC3=O)cc2s1 |t:9|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2scnc2c1 |c:12|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncoc2c1 |c:12|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2OCCc2c1 |c:12|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]cnc2c1 |c:12|
Cn1cnc2ccc(\C=C3/N=C(NC4CCCCCC4)NC3=O)cc12 |t:10|
Cn1cnc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]ncc2c1 |c:12|
Cn1ncc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|
Cn1cc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc2n1 |t:8|
O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]ccc2c1 |c:12|
Cn1ccc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2OCOc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2nnsc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
Cc1nc2ccc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)cc2s1 |t:9,TLB:15:16:20:14.19.13,19:14:21:18.20.17,19:18:21:15.14.13,THB:15:14:20:21.16.17|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2scnc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncoc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2OCCc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]cnc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|
Cn1cnc2ccc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)cc12 |t:10,TLB:16:17:21:15.20.14,20:15:22:19.21.18,20:19:22:16.15.14,THB:16:15:21:22.17.18|
Cn1cnc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:15:16:20:14.19.13,19:14:21:18.20.17,19:18:21:15.14.13,THB:15:14:20:21.16.17|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]ncc2c1 |c:17,TLB:4:5:8:11.12.10,12:11:14:8.7.6,12:7:14:13.11.10,THB:13:5:8:11.12.10,13:11:8:14.5.6|
Cn1ncc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:11:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:21.12.13|
Cn1cc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc2n1 |t:8,TLB:10:11:14:17.18.16,18:17:20:14.13.12,18:13:20:19.17.16,THB:19:11:14:17.18.16,19:17:14:20.11.12|
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]ccc2c1 |c:17,TLB:4:5:8:11.12.10,12:11:14:8.7.6,12:7:14:13.11.10,THB:13:5:8:11.12.10,13:11:8:14.5.6|
Cn1ccc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:11:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:21.12.13|
O=C1NC(NC2CC2)=N\C1=C/c1ccc2ncsc2c1 |c:8|
O=C1NC(NC2CCC2)=N\C1=C/c1ccc2ncsc2c1 |c:9|
O=C1NC(NC2CCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:10|
O=C1NC(NC2CCCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:13|
C[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
C[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |r,t:3|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
[H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2(C)C |r,t:11|
O=C1NC(NC2CC3(CCC3)C2)=N\C1=C/c1ccc2ncsc2c1 |c:13|
O=C1NC(NC2CC22CCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:14|
O=C1NC(NC2CC3CCC2C3)=N\C1=C/c1ccc2ncsc2c1 |c:13,TLB:4:5:11:8.9|
CC1(C)C2CCC1(C)[C@@H](C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13,THB:10:8:1:4.5|
FC1(F)CCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|
FC1(F)CCCCC1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
FC1(F)CCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
FC1(F)CCC(CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
FC1(F)CCCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:11|
O[C@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
O[C@@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
O[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:1.0,wD:4.7,t:9,(-8.08,2.3,;-6.54,2.3,;-5.64,3.55,;-4.11,3.4,;-3.47,1.99,;-4.37,.74,;-5.91,.9,;-1.91,1.84,;-1.29,.43,;.19,.12,;.35,-1.44,;1.68,-2.22,;3,-1.44,;3,.12,;4.41,.9,;5.74,.12,;7.22,.59,;8.08,-.66,;7.22,-1.91,;5.74,-1.44,;4.41,-2.22,;-1.05,-2.07,;-1.37,-3.55,;-2.07,-.9,)|
O[C@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@H]1CCCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
O[C@H]1CCC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CO[C@@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CO[C@H]1CCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CO[C@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CCC[C@@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CO[C@H]1CC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:2.1,wD:5.8,t:10,(-8.46,.97,;-7.69,2.3,;-6.15,2.3,;-5.25,3.55,;-3.72,3.4,;-3.09,1.99,;-3.99,.74,;-5.52,.9,;-1.53,1.84,;-.9,.43,;.58,.12,;.74,-1.44,;2.06,-2.22,;3.39,-1.44,;3.39,.12,;4.8,.9,;6.12,.12,;7.61,.59,;8.46,-.66,;7.61,-1.91,;6.12,-1.44,;4.8,-2.22,;-.67,-2.07,;-.98,-3.55,;-1.68,-.9,)|
CO[C@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CO[C@H]1CCC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
CC[C@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:6|
CC[C@@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:6|
CC(C)C[C@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
CC(C)C[C@@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
OC[C@@H](CC1CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
OC[C@@H](CC1CCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
OC[C@@H](CC1CCCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|
OC[C@@H](CC1CCCCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
OCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:4|
OC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:4|
CC(C)C[C@H](COC)NC1=N/C(=C\c2ccc3c(c2)scn3)/C(=O)N1
COC[C@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CCOC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CC(C)C[C@H](COC1CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
CC(C)C[C@H](COC(C)(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
CC(C)C[C@H](COCc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:16|
CC(C)C[C@H](COCc1ccc(F)cc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:17|
COCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:5|
COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:5|
COC(=O)[C@H](C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:7|
COC(=O)[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C(C)C |r,t:6|
COC(=O)[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C(C)O |r,t:6|
COC(=O)[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
COC(=O)[C@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|
CC(C)C[C@H](CF)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
CC(C)C[C@@H](CF)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
O=C1NC(NCC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:18,TLB:15:6:13:9.11.10,5:6:9:12.13.11,THB:14:6:9:12.13.11,14:12:9:7.6.15,15:10:7.6.14:13|
CC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C12CC3CC(CC(C3)C1)C2 |t:3,TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
O=C1NC(NC2C3CC4CC(C3)CC2C4)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:14:13:11:7.8.9,THB:14:8:5.13.12:11,9:8:5:12.10.11,9:10:5:7.8.14,4:5:11:7.8.9,(1.84,-4.63,;.9,-3.45,;-.65,-3.45,;-1.19,-2.05,;-2.68,-1.65,;-3.08,-.16,;-2.04,1.14,;-3.47,.79,;-4.82,1.28,;-4.82,2.8,;-3.46,3.28,;-2.04,2.7,;-4.51,2.03,;-4.51,.41,;-6.04,-.02,;.01,-1.09,;1.31,-1.96,;2.76,-1.44,;3,.08,;1.79,1.08,;2.08,2.66,;3.53,3.19,;4.11,4.63,;5.62,4.5,;6.04,3.04,;4.73,2.19,;4.49,.67,)|
O[C@@]12CC3CC(C1)[C@H](NC1=N\C(=C/c4ccc5ncsc5c4)C(=O)N1)C(C3)C2 |r,wU:7.8,wD:1.0,t:10,TLB:6:1:7.5.4:26,8:7:26:27.1.2,THB:6:5:26:27.1.2,2:1:7:4.3.26,2:3:7:27.1.6,0:1:7:4.3.26,0:1:7.5.4:26,(-6.15,1.85,;-4.71,1.28,;-4.71,2.8,;-3.35,3.28,;-4.4,2.03,;-4.4,.41,;-5.93,-.02,;-2.97,-.16,;-2.57,-1.65,;-1.08,-2.05,;.11,-1.09,;1.42,-1.96,;2.86,-1.44,;3.1,.08,;1.9,1.08,;2.19,2.66,;3.64,3.19,;4.22,4.63,;5.73,4.5,;6.15,3.04,;4.84,2.19,;4.6,.67,;1,-3.45,;1.95,-4.63,;-.54,-3.45,;-1.94,1.14,;-1.94,2.7,;-3.36,.79,)|
COC(=O)C1(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C2CC3CC(C2)CC1C3 |t:6,TLB:5:4:23:25.26.27,2:4:23:25.26.27,THB:25:24:4:26.28.27,25:26:4:23.24.30,28:26:23:4.29.30,28:29:23:25.26.27,2:4:23.24.30:26.28.27,(-2.45,-3.18,;-3.92,-2.69,;-4.23,-1.18,;-5.72,-.79,;-3.08,-.16,;-2.68,-1.65,;-1.19,-2.05,;.01,-1.09,;1.31,-1.96,;2.76,-1.44,;3,.09,;1.79,1.08,;2.08,2.66,;3.53,3.19,;4.11,4.63,;5.62,4.5,;6.04,3.04,;4.73,2.19,;4.49,.67,;.9,-3.44,;1.84,-4.63,;-.65,-3.44,;-4.51,.41,;-6.04,-.02,;-4.82,1.28,;-4.82,2.8,;-3.46,3.28,;-4.51,2.03,;-2.04,2.7,;-2.04,1.14,;-3.47,.79,)|
O=C1NC(NC23CC4CC2CC(C3)C4)=N\C1=C/c1ccc2ncsc2c1 |c:16,TLB:10:9:12.11.13:6,THB:10:11:8.9:6|
C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:16,TLB:7:1:8.5.4:10,6:5:10:1.2.11,THB:7:5:10:1.2.11,2:1:8:3.4.10,2:3:8:7.1.11,0:1:8:3.4.10,0:1:8.5.4:10|
OC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:15,TLB:4:3:10:5.6.7,4:5:10:2.3.9,11:8:2:4.5.6,THB:7:5:2:10.8.9,7:8:2:4.5.6|
COC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:14,TLB:9:8:28:4.5.3,9:4:28:10.8.7,5:6:10:9.4.3,THB:11:8:28:4.5.3,5:4:10:6.28.7|
FC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:15,TLB:11:8:2:5.4.6,4:5:10:3.2.9,4:3:10:7.5.6,THB:7:8:2:5.4.6,7:5:2:10.8.9|
FC12CC3(F)CC(F)(C1)CC(C2)(C3)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:17,TLB:13:10:2:6.5.8,5:3:11:9.6.8,7:6:11:3.2.12,THB:9:10:2:6.5.8,9:6:2:11.10.12,5:6:11:3.2.12,4:3:11:9.6.8,7:6:2:11.10.12|
CC(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:16,TLB:11:10:30:6.7.5,11:6:30:12.10.9,7:8:12:11.6.5,THB:13:10:30:6.7.5,7:6:12:8.30.9|
CC(C)(C)C(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:19,TLB:14:13:33:9.10.8,14:9:33:15.13.12,10:11:15:14.9.8,THB:16:13:33:9.10.8,10:9:15:11.33.12|
CC(C)(C)NC(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:20,TLB:15:14:34:10.11.9,15:10:34:16.14.13,11:12:16:15.10.9,THB:17:14:34:10.11.9,11:10:16:12.34.13|
CC(=O)NC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:18,TLB:9:4:12:8.10.7,7:8:12.6.5:13,7:6:8.10.9:13,THB:9:8:12:5.4.13|
O=C(NC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CC1 |t:17,TLB:6:5:12:7.8.9,6:7:12:4.5.11,THB:4:3:9:5.6.11,4:5:12.3.8:9|
CS(=O)(=O)NC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:17,TLB:31:5:12:9.8.10,8:9:13:7.6.12,THB:31:9:13.5.6:12,8:7:13:31.9.10|
CN(C)C12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:15,TLB:29:3:10:7.6.8,6:7:11:5.4.10,THB:29:7:11.3.4:10,6:5:11:29.7.8|
O=C1NC(NCc2ccccc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1C |t:7|
Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c(C)c1 |t:7|
FC(F)(F)c1ccccc1CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:13|
FC(F)(F)Oc1ccccc1CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:14|
O=C1NC(NC2Cc3ccccc3C2)=N\C1=C/c1ccc2ncsc2c1 |c:15|
O[C@@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13|
O[C@H]1Cc2ccccc2[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13|
OC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|
OC[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|
OC[C@@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|
O[C@@H](CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|
O[C@H](CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|
OC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)Cc1ccccc1 |t:4|
CO[C@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|
CO[C@@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|
COC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:5|
COC[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:5|
CC(C)(C)OC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:8|
COCC(Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:13|
COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:5|
COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)Cc1ccccc1 |t:5|
COC(=O)[C@@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|
COC(=O)[C@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|
FCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:4|
NCC(NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
NC[C@H](NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
NC[C@@H](NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
CNCC(NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
CN(C)CC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:6|
O=C1NC(NCc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NCc2cccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NCc2ccncc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NCCc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:13|
Cc1cnc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:7|
Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)o1 |t:7|
O=C1NC(NCCCn2ccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:13|
Cc1csc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)n1 |t:7|
O=C1NC(NCc2nc3ccccc3s2)=N\C1=C/c1ccc2ncsc2c1 |c:16|
O=C1NC(NCC2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
CN1CCC2(CC(C2)NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:10|
CN1CCC(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:7|
CC(C)(C)OC(=O)N1CCC(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:13|
O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
CCCCCCc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:11|
Fc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:6|
Cc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1F |t:6|
FC(F)(F)c1cccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c1 |t:10|
FC(F)Oc1cccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c1 |t:10|
O=C1NC(Nc2ccc3CCCc3c2)=N\C1=C/c1ccc2ncsc2c1 |c:15|
CC(=O)N1CCc2ccc(NC3=N\C(=C/c4ccc5ncsc5c4)C(=O)N3)cc12 |t:11|
Cn1ncc2cccc(NC3=N\C(=C/c4ccc5ncsc5c4)C(=O)N3)c12 |t:10|
CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:13|
O=C1NC(Nc2ccc(cc2)N2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:18|
O=C1NC(Nc2cccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NC(Nc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
COc1nc(C)ccc1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:11|
O=C1NC(Nc2ncccn2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NC(Nc2cncnc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
CN1CCN(CC1)c1cnc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)nc1 |t:13|
CN1CCN(CC1)c1ncc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:13|
CN1CCN(CC1)c1cnc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:13|
Cn1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)n1 |t:6|
O=C1NC(Nc2nncs2)=N\C1=C/c1ccc2ncsc2c1 |c:10|
O=C1NC(NC2COC2)=N\C1=C/c1ccc2ncsc2c1 |c:9|
O=C1NC(N[C@@H]2CCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:10|
O=C1NC(N[C@H]2CCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:10|
O=C1NC(NC2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NC(N[C@@H]2CCCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:11|
O=C1NC(N[C@H]2CCCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:11|
CC1(C)CCC(CO1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
O[C@@H]1CCOC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O[C@H]1CCOC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
O=C1NC(NC2CCCCOC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
O=C1NC(NC2COCCOC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|
CN1CCC(CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|
CN1CCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|
O=C1NC(NC2CCCSC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|
O=C1NCCC1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:8|
CC1(C)CNC(=O)C1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|
CC1(CCNC1=O)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|
CN1CCC(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |t:6|
CN1CC[C@@](C)(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |r,t:7|
CN1CC[C@](C)(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |r,t:7|
O=C1NC(NC2CCCNC2=O)=N\C1=C/c1ccc2ncsc2c1 |c:12|
CN1CCCC(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |t:7|
O=C1NC(N[C@H]2CCC(=O)NC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:12|
[H][C@]1(CN2CCC1CC2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:1.0,t:12,(-4.14,.59,;-4.14,-.9,;-4.14,-2.46,;-5.47,-3.24,;-6.09,-2.3,;-6.09,-1.13,;-5.47,-.12,;-6.79,-.9,;-6.79,-2.46,;-2.81,-.12,;-1.41,-.9,;,-.27,;1.01,-1.44,;2.58,-1.29,;3.2,.12,;2.26,1.37,;2.89,2.77,;4.45,2.93,;5.31,4.18,;6.79,3.71,;6.79,2.15,;5.31,1.68,;4.68,.27,;.23,-2.77,;.86,-4.18,;-1.25,-2.46,)|
[H][C@@]1(CN2CCC1CC2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wD:1.0,t:12,(-4.06,.58,;-4.06,-.89,;-4.06,-2.43,;-5.37,-3.21,;-6.07,-2.28,;-6.07,-1.12,;-5.37,-.12,;-6.76,-.89,;-6.76,-2.43,;-2.74,-.12,;-1.43,-.89,;-.04,-.27,;.97,-1.43,;2.51,-1.28,;3.13,.12,;2.2,1.35,;2.9,2.74,;4.37,2.9,;5.29,4.14,;6.76,3.67,;6.76,2.13,;5.29,1.66,;4.68,.27,;.19,-2.74,;.89,-4.14,;-1.28,-2.43,)|
COC[C@@H](CC(C)C)NC1=N\C(=C\c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C |r,t:9|
CCN1C(N[C@@H](COC)CC(C)C)=N\C(=C/c2ccc3ncsc3c2)C1=O |r,c:12|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCCCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2cnc3ncsc3c2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2cc3scnc3cn2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3n2)C(=O)N1 |r,t:9|
Cc1ccc2c(-c3ccc4ncnc(N[C@H](CO)c5ccccc5)c4c3)c[nH]c2n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4