1264 SMILES Strings for Receptor-interacting serine/threonine-protein kinase 2

Compound Name
SMILES String
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl
CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|
Clc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
CCCCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:15.16,t:18|
CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21
Cc1noc2ncnc(Sc3ccccc3Cl)c12
Cc1noc2ncnc(Sc3c(Cl)cccc3Cl)c12
Clc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:8|
O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
CC(C)(C)C(=O)C(=C\c1cccc(c1)[N+]([O-])=O)\n1cncn1
COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
[O-][N+](=O)c1ccc(Sc2nc3ccccc3o2)c(c1)[N+]([O-])=O
CCc1ccc2NC(=O)\C(=C/C(=O)c3cccs3)c2c1
[#6]-[#6]1=[#6]-[#6](=O)-[#6]=[#6](-[#6])\[#6]-1=[#7]\[#8]S(=O)(=O)c1ccccc1 |t:1,5|
Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
CCc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
O=c1n(sc2ccccc12)-c1ccccc1
COc1cc(\C=C\[N+]([O-])=O)ccc1O
Cc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)Nc1ccccc1
CCOc1ccc(\C=C\[N+]([O-])=O)c2ccccc12
Oc1cc(Sc2nnnn2-c2ccccc2)c(O)n1-c1cccc(Cl)c1
[O-][N+](=O)\C=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12
Brc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccccc1 |c:11,13|
Clc1cnn(-c2ccccc2)c(=O)c1Cl
ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
[O-][N+](=O)\C=C\c1cn(Cc2ccccc2C#N)c2ccccc12
CC(C)(C=O)C1=CC(=O)c2ccccc2C1=O |t:5|
Clc1cccc(c1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Brc1ccc(cc1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
[O-][N+](=O)c1cc(ccc1F)S(=O)(=O)N1CCCCCC1
[O-][N+](=O)c1cc(\C=N\NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)ccc1Cl
COc1ccc(cc1)C(C[N+]([O-])=O)n1nc(C)cc1C
O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccc(cc1)-c1ccccc1 |c:11,13|
Cc1cc(ccc1\C=C/[N+]([O-])=O)N1CCOCC1
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(c1)C(F)(F)F
CC(NC(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)c1ccccc1
CCOC(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccc(C)cc1 |w:9.10,c:1,5|
C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1cccs1)-c1ccccc1 |w:7.8|
[O-][N+](=O)c1cc(ccc1Cl)C(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc(c1)C#N
CN(CC(=O)Nc1ccc(C)cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Cc1cc(SC#N)cc(C)c1NC(=O)CCl
Cc1ccccc1Oc1cc(ncn1)-n1ncc(Cl)c(Cl)c1=O
[H]C12CCC([H])(N1C)\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1 |TLB:19:18:6:3.2,THB:9:8:6:3.2|
COc1cc(OC)nc(n1)-n1ncc(Br)c(Br)c1=O
Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O
COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O
C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:7.8|
Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1ncc(Cl)c(Cl)c1=O
COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)c(O)c1
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Clc1cccc(c1)N1C(=O)NC(=Cc2ccc(o2)N2CCOCC2)C1=O |w:12.13|
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1c2ccccc2C(C)=CC1(C)C |c:23|
COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1
CCOC(=O)c1ccc(NC(=O)Nc2ccon2)cc1
CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
COc1cc2OCOc2cc1\C=C\[N+]([O-])=O
[O-][N+](=O)\C=C/c1ccc(cc1)N1CCOCC1
Cc1nc(c(Br)n1Cc1ccc(Cl)c(Cl)c1)[N+]([O-])=O
CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
Fc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2Cl)cc1
COc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:9|
Cc1ccc(NN2C(=O)C=C(C2=O)c2ccccc2)cc1 |c:9|
Cn1ccnc1Sc1cc(NCCCO)c([N+]([O-])=O)c2nonc12
Cc1ccc(cc1)-n1ncc(Br)c(Br)c1=O
O=C(Nc1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCS1(=O)=O |c:10|
Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8|
CNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c(c1)[N+]([O-])=O
CN1CCN(CC1)c1ccc(NC(=O)c2c3CN(Cc4ccccc4)CCc3nc3ccccc23)c(C)c1
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCc1nnc(o1)-c1ccccc1
Clc1cnn(Cc2nnc(o2)-c2ccccc2Br)c(=O)c1Cl
CCC(=O)Nc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
O=C(\C=C1/C(=O)Nc2ccccc12)/C=C1\C(=O)Nc2ccccc12
Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(c1)[N+]([O-])=O
[H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21|
[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2CC=C)s1
COc1ccc(c(n1)S(=O)(=O)c1ccccc1)[N+]([O-])=O
O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
Cc1cc2[nH]c3c(c(C)nc4ccccc34)c2cc1C
Cc1c(C(=O)Nc2ccccc2)c2ccc(cc2n1O)C(F)(F)F
CN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1
COc1ccc(CC2=CC(=O)c3ccccc3C2=O)cc1 |t:7|
C=CCN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2ccccc12
Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccncc1
COc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl
Cc1cccc(c1)-n1ncc(Cl)c(Cl)c1=O
COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
Brc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
[O-]c1ccc(Nc2cc(Cl)c3[nH+]onc3c2[N+]([O-])=O)cc1
C=CCOc1cccc(c1)C(=O)\C=C1\C(=O)Nc2ccccc12
C=CCOc1ccccc1C(=O)\C=C1\C(=O)Nc2ccccc12
COc1ccc(C(=O)\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O
[O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1ccccc1
Clc1cc(oc(=O)c1Cl)-c1ccccc1
[O-][N+](=O)c1cc(Br)c(Nc2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O
CCOc1cc(\C=C2/COc3ccccc3C2=O)cc(Br)c1OCC(=O)N(C)C
COc1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O
O=C(C#Cc1ccccc1)c1ccco1
COc1ccc(cc1)\N=C1\S\C(=C/c2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)N1CCN(C)C
CCN(CC)CCN1C(=O)\C(S\C1=N/c1ccc(OC)cc1)=C/c1ccc(Cl)c(c1)[N+]([O-])=O
Clc1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
COc1ccc(OC)c2sc(nc12)N(CCN(C)C)C(=O)\C=C\c1cccs1
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccc3OCOc3c2)c1
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccccc2)c1
Clc1cnc(nc1C(=O)NCc1ccc2OCOc2c1)S(=O)(=O)Cc1ccccc1
Cc1cccc(C)c1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
CN(C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(C)cccc2s1
CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1Cl
Cc1n(nc2c(nnc(C)c12)N1CCC(CC1)C(=O)NCc1ccccc1C)-c1ccc(C)cc1
[O-][N+](=O)c1ccc(F)c(C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1F
COc1ccc(CNC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
CCOC(=O)C1CCN(CC1)S(=O)(=O)c1c(Cl)ccc2nonc12
COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)c(OC)c1OC)=[N+]2C |c:29|
CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
CN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(Cl)c(c1)[N+]([O-])=O)S(=O)(=O)N1CCCCC1
[O-][N+](=O)c1cc(\C=C2/SC(=O)N(CCNC(=O)C3=COCCO3)C2=O)ccc1Cl |t:17|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1 |c:6,11|
O=C(Nc1cccc(c1)N1C(=O)C=CC1=O)c1cccs1 |c:13|
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
CCCCc1c(O)n(-c2ccc(O)cc2)n(-c2ccccc2)c1=O
CC[Hg]Sc1ccccc1C([O-])=O
CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC
Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
Clc1cnn(CC(=O)Nc2ccc3OCOc3c2)c(=O)c1Cl
Clc1nss\c1=N/c1nncs1
Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
COc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
Fc1ccc(cc1)-n1sc2ccccc2c1=O
Clc1cnn(CC(=O)NC(=O)NC2CCCCC2)c(=O)c1Cl
CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Cn1cnc(c1S(=O)(=O)Oc1ccc(Cl)cc1)[N+]([O-])=O
Cn1cnc(c1S(=O)(=O)Oc1cccc2ccccc12)[N+]([O-])=O
Clc1cnn(CC(=O)N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(=O)c1Cl
Cc1[nH]c2ccccc2c1C1=CC(=O)C=CC1=O |c:16,t:12|
Clc1ccc(cc1)-c1ccc(\C=C(\C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Cc1ccccc1-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O |(3.12,-4.21,;4.46,-4.98,;4.46,-6.52,;5.79,-7.29,;7.12,-6.52,;7.12,-4.98,;5.79,-4.21,;5.79,-2.67,;7.04,-1.76,;8.5,-2.24,;6.56,-.3,;5.02,-.3,;4.12,.95,;4.74,2.36,;3.97,3.69,;5,4.83,;6.41,4.21,;6.25,2.68,;7.74,4.98,;9.08,4.21,;10.41,4.98,;10.41,6.52,;9.08,7.29,;7.74,6.52,;4.54,-1.76,;3.08,-2.24,)|
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C
O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1 |t:3|
CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
Clc1cc(Cl)cc(CN2Cc3cnnn3-c3ccccc3C2C#N)c1
CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O
CCOC(=O)c1cc(cc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O)[N+]([O-])=O
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2c1[nH]c1ccc(O)cc21
[H]C12OC3C=C(C)C(CC3(COC(C)=O)C(C)(C(OC(C)=O)C1O)C21CO1)OC(=O)CC(C)C |t:4,TLB:26:24:17.22:2.9.3,18:17:24:2.9.3,THB:10:9:24:17.22,23:22:24:2.9.3,8:9:24:17.22,25:24:17.22:2.9.3|
C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N |c:10,t:12|
[H]C12Cc3ccc(O)c(Oc4ccc(CC([H])(N(C)C(=O)C(C)NC(=O)C(Cc5ccc(OC)cc5)N(C)C(=O)C(C)NC(=O)C(C)NC1=O)C(=O)N2C)cc4)c3
c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O
[H]C12CC3OC(=O)\C=C/C=CC(OCC(O)C(C)CC(=O)OCC4(CC(O)C(C)=CC4O1)C3(C)C21CO1)C(C)O |c:7,28,TLB:36:34:3.2:31.23.30,35:34:3.2:31.23.30|
CC1COC2(CC1OC(=O)\C=C\c1ccccc1)OC1CC(CCC1C21CO1)C(=O)OC1OC(C)C(O)C(OC(C)=O)C1OC1OC(C)C(O)C(OC(C)=O)C1O
[H]C12CCC3C(C1O)(C(=O)C2=C)C1(O)OCC32CCCC(C)(COC(C)=O)C2C1O |TLB:7:6:4.3.2:8.10|
C=CC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
COC(=O)C1(C)CCCC2(C)C3CCC4(O)CC3(CCC12)C(=O)C4=C
OC1C(O)C(O)C2C(NC(=O)c3c(O)c4OCOc4cc23)C1O
[H]C12OC([H])(C(C(=O)OC)=C1C(=O)OC)c1cc3ccccc3cc21 |c:9,TLB:23:24:2:10.5,11:10:2:24.15,THB:6:5:2:24.15,16:15:2:10.5|
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
[O-][N+](=O)c1ccc(\C=C2\CS(=O)(=O)C\C(=C\c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
[H][C@]12C[C@H](OC(C)=O)[C@](C)([C@@]11CO1)C1(C)CCC(C)=CC1O2 |c:20,TLB:11:10:3.2:21.13.20,THB:12:10:3.2:21.13.20,4:3:10:21.13.20,15:13:10:3.2,14:13:10:3.2|
[H]C12CC3OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC4(CC(O)C(C)=CC4O1)C3(C)C21CO1 |c:29,TLB:37:35:3.2:32.24.31,36:35:3.2:32.24.31|
CC1OC2(CC3N4C(=O)C5(CO)SSC4(CC3(O)C2OC(C)=O)C(=O)N5C)C(=O)C1(C)C |TLB:24:23:13.12:6.7,26:25:13.12:6.7|
Brc1cn(CC2(CC(=C)C(=O)O2)c2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
COC(=O)C1=C(SC2(S1)c1ssc(=O)c1SC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:22,t:4|
Clc1ccc(\C=C2\CN(C\C(=C\c3ccc(Cl)cc3)C2=O)C(=O)C=C)cc1
Fc1ccc(\C=C2\CN(C\C(=C\c3ccc(F)cc3)C2=O)C(=O)C=C)cc1
CCOC(=O)c1c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O
I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
CC(C)(C)NCC(=Cc1ccccc1)C(=O)c1ccccc1
Clc1ccc(\C=C2\CN(C\C(=C\c3ccc(Cl)c(Cl)c3)C2=O)C(=O)CCN2CCOCC2)cc1Cl
CCOP(=O)(CCP(=O)(OCC)OCC)OCC
CN(C)CCC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
CCN(CC)CCC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
O=C(CCN1CCCCC1)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
O=C(CCN1CCOCC1)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1
CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O
[H]C12CC(OC(C)=O)C(C)(C11CO1)C1(C)CCC(C)=CC1O2 |c:20,TLB:11:10:3.2:21.13.20,THB:12:10:3.2:21.13.20,4:3:10:21.13.20,15:13:10:3.2,14:13:10:3.2|
C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O |r,c:10|
Cc1ccc(cc1)S(=O)(=O)N(CC#C)C[C@@H]1[C@@H](OC(=O)NCc2ccccc2F)[C@H](Cn2n1c(=O)ccc2=O)OC(=O)NCc1ccccc1F
O=C1C(Cc2ccccc12)=C(N1CCOCC1)c1ccccc1
CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)OC(=O)CC23)C1 |t:15|
Fc1ccc2c(c1)sn(-c1ccccc1)c2=O
COc1ccc(cc1)-n1sc2ccccc2c1=O
CC(=O)Nc1ccc2sn(-c3ccccc3)c(=O)c2c1
Fc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Brc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Cc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Clc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
[O-][N+](=O)c1ccc(Sc2ccncn2)c(c1)[N+]([O-])=O
CCSc1ccc(cc1)-c1cc(NC=O)c2ncc(-c3cccc(c3)C(=O)NCCN(C)C)n2c1
OC(c1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc23)cc1)(C(F)(F)F)C(F)(F)F
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)N1CCN(CCC2CCCCC2)CC1
CC(OC(=O)c1ccc(c(c1)[N+]([O-])=O)[S+](C)([O-])=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:27:22:30:26.28.25,27:26:22.21.23:30,THB:25:26:21:24.23.30,20:21:24.23.30:26.27.28,20:21:30:26.28.25|
[H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C3CC1)C(=O)C2=C
[H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CC[C@H](O)[C@@]4(C)C3CC1)C(=O)OC)C(=O)C2=C
[H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CC[C@H](OC(C)=O)[C@@]4(C)C3CC1)C(=O)OC)C(=O)C2=C
[H][C@]12C[C@@]3([C@H](C[C@]4([H])[C@@](C)(CC[C@H](OC(C)=O)[C@@]4(C)[C@]3([H])CC1)C(=O)OC)OC(C)=O)C(=O)C2=C
O=c1ccc2ccccc2c2ccccc12
[#6]-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6]\[#6](\[#6]=[#6]-1)=[#6](/C#N)-c1ccccc1 |c:6,9|
CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C(C)C)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCCCCN1[C@@H]2c3ccc(Cl)cc3C[C@]2(C(=O)OCC)c2ccc(OC)cc2C1=O
CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1
Nc1c(c(nn1-c1c(Cl)cc(Cl)cc1Cl)-c1ccncc1)-c1ccc(F)cc1 |(-1,-2.52,;-1.47,-1.05,;-2.94,-.58,;-2.94,.96,;-1.47,1.44,;-.56,.19,;.98,.19,;1.74,1.52,;.97,2.85,;3.28,1.52,;4.06,.18,;5.6,.18,;3.29,-1.15,;1.75,-1.15,;.97,-2.48,;-4.18,1.87,;-4.2,3.41,;-5.54,4.16,;-6.87,3.37,;-6.84,1.82,;-5.5,1.08,;-4.18,-1.48,;-5.52,-.72,;-6.85,-1.5,;-6.84,-3.04,;-8.17,-3.82,;-5.49,-3.8,;-4.17,-3.02,)|
COc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
COc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
COc1cncc(c1)-n1cc(cn1)-c1cc(ccc1Cl)C(=O)NC1CC1
COc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Clc1ccc(cc1-c1cnn(c1)-c1cccnc1)C(=O)NC1CC1
Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cccnc1
COc1cncc(c1)-n1cnc(c1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Cc1ccc(cc1-c1cnn(c1)-c1cccnc1)C(=O)NC1CC1
Cc1ccc(cc1-c1cn(cn1)-c1cccnc1)C(=O)NC1CC1
CCOc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CNCc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(CO)c1)C(=O)NC1CC1
CN(C)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1CC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)S(C)(=O)=O)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C(F)(F)F)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C(O)=O)C(=O)NC1CC1
CN(C)C(=O)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC(=O)NC(C)(C)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(CC(O)=O)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(CC#N)c1)C(=O)NC1CC1
COc1cncc(c1)-n1cnc(c1)-c1cc(ccc1C)C(=O)NC1CC1
COc1cncc(c1)-n1cnc(c1)-c1cc(ccc1Cl)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCCOC(C)(C)C)c1)C(=O)NC1CC1
CCO[C@H]1COC[C@@H]1Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 |r|
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCC2COCCO2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCCN2CCOC2=O)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCC2CCCO2)c1)C(=O)NC1CC1
COCCNc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC(=O)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
COC1CCC(C1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1)C(=O)NC1CC1 |r|
CC(Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1)C1CCOC1
Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cn(cn1)-c1cncc(c1)C1CC1)C(=O)NC1CC1
CN(C)c1cncc(c1)-n1cnc(c1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C(=O)OC(C)(C)C)c1)C(=O)NC1CC1
COCCN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CC3CCC(C2)N3C2COC2)c1)C(=O)NC1CC1 |TLB:18:19:22.23:26|
CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCOCC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OCc2ccccc2)c1)C(=O)NC1CC1
CC(C)Oc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCNCC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(O)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CCOCC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCCCC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)N1CCOCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCC2CC2)c1)C(=O)NC1CC1
CN1CCN(CC1)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1(CC1)C(N)=O)C(=O)NC1CC1
Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cncc(c1)C1CC1
Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(c1)C1CC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(N)c1)C(=O)NC1CC1
CNC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)NC2CC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)NC2CCC2)c1)C(=O)NC1CC1
CC(C)NC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
COCC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC(C)C(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC(C)CC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)C2CCC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)CF)c1)C(=O)NC1CC1
CCC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CN(C)c1cncc(n1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)C(C)(C)C)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NS(C)(=O)=O)c1)C(=O)NC1CC1
CN(C)c1cncc(n1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
CC(=O)N1CC(C1)Oc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CN1C(CCC1=O)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC(=O)N1CCC(C1)Oc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
COc1cncc(n1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(n1)C1CCOCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1(CC1)C#N)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(CN2CCOCC2=O)c1)C(=O)NC1CC1
CC(N1CCCCS1(=O)=O)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1(O)CCOCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1(O)CCOC1)C(=O)NC1CC1
CC(N1CCCC1=O)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CNc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)NC2CCOC2)c1)C(=O)NC1CC1
COCCC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)C2CC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CCOC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OCC2CC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OCC2CCOCC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CCCC2)c1)C(=O)NC1CC1
CC(=O)N1CCC(CC1)Oc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OCC2CCCO2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CCC(C2)C#N)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CC(CO)(CO)C2)c1)C(=O)NC1CC1
CC(CCO)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3CCOC3)CC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3CCOCC3)CC2)c1)C(=O)NC1CC1
COCC(C)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC(CO)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC(=O)N1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC1OCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
COC1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 |(-4.57,-12.55,;-5.66,-11.46,;-5.26,-9.97,;-6.35,-8.88,;-5.95,-7.39,;-4.46,-7,;-3.37,-8.09,;-3.77,-9.57,;-4.06,-5.51,;-5.15,-4.42,;-4.75,-2.93,;-3.27,-2.53,;-2.18,-3.62,;-2.58,-5.11,;-2.87,-1.05,;-1.38,-.65,;-.29,-1.74,;1.2,-1.34,;1.59,.15,;.51,1.24,;-.98,.84,;.9,2.73,;-0,3.97,;.9,5.22,;2.37,4.74,;2.37,3.2,;.51,6.7,;1.59,7.79,;1.2,9.28,;-.29,9.68,;-1.38,8.59,;-.98,7.1,;-2.07,6.01,;2.28,10.37,;1.89,11.86,;3.77,9.97,;4.86,11.06,;6.35,11.46,;5.26,12.55,)|
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCCOC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCOCC2)c1)C(=O)NC1CC1
COC1COCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC1COCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC1CC(CCO1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCOC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3C4COCC34)CC2)c1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3COCCO3)CC2)c1)C(=O)NC1CC1
CN1CC[C@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)[C@H](F)C1 |r|
CN1CC[C@@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)[C@@H](F)C1 |r|
CN(C)C1CCN(CC1)c1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
CN1CCC(COc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C1
CO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl |r|
Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CCN(CCF)CC2)c1)C(=O)NC1CC1
CN1CC[C@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C(F)(F)C1 |r|
CN1CC[C@@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C(F)(F)C1 |r|
COc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C(=O)N(C)C
COC(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
CNC(=O)c1ccc2ncc(-n3cnc(c3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cnc2ccccn12
Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cnc2cnccn12
CC(=O)Nc1ncc(s1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Nc1cccn2c(cnc12)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
COc1cn2c(cnc2cn1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
CC(C)(C)S(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3Cl)n2c1
Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cnn2ccccc12
Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cn2ccnc2cn1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2cnccn12)C(=O)NC1CC1
CC(=O)Nc1ncc(s1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccccn12)C(=O)NC1CC1
Cc1ccc(cc1-c1cn(cn1)-c1cnc2ccccn12)C(=O)NC1CC1
CC(=O)Nc1ncc(s1)-n1cnc(c1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cn2cc(ccc2n1)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
CS(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3Cl)n2c1
Cc1ccc(cc1-c1cn(cn1)-c1cnc2ccc(cn12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(SC3COC3)cn12)C(=O)NC1CC1
NC(=O)c1ncc(s1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
CNC(=O)c1ncc(s1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
CCS(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
COc1cc2nc(cn2cc1S(=O)(=O)C(C)(C)C)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnn2ccc(cc12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
CCS(=O)(=O)c1cn2cc(nc2cc1OC)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CCOc1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccccn12)C(=O)NC1CC1
Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
COc1cn2c(cnc2cn1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
COc1cc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2cc1S(=O)(=O)C(C)(C)C
Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)N1CCOCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)N1CCOCC1)C(=O)NC1CC1
CN1CCN(CC1)S(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
CN1CCN(CC1)S(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
COC(=O)c1ccc2ncc(-n3cnc(c3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
CN(C)C(=O)c1ccc2ncc(-n3cnc(c3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Cc1ccc(cc1-c1cnn(c1)-c1cnn(c1)C(C)(C)C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cncs1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(OC2CCC2)s1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(NC(=O)C2CC2)s1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)N1CCOCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)-c1ccccc1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)-n1ccccc1=O)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)N1CCCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)N1CCCCC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(CO)n1C)C(=O)NC1CC1
Cc1nnc(s1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ncc(n1C)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(O)=O)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(O)=O)C(=O)NC1CC1
Cc1ccc(cc1-c1cn(cn1)-c1cnc2ccc(cn12)C(O)=O)C(=O)NC1CC1
Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(=O)NCCO)C(=O)NC1CC1
CNCCNC(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2cc(ccn12)C(=O)NCCO)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2cc(ccn12)C(N)=O)C(=O)NC1CC1
CNCCNC(=O)c1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(=O)N1CCOCC1)C(=O)NC1CC1
CN1CCN(CC1)C(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
CN(C)C(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
CNC(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
CNC(=O)c1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CN(C)C(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
CN1CCN(CC1)C(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
CC(O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
CC(O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(O)C1CCOCC1)C(=O)NC1CC1
CC(O)c1ccc2ncc(-n3cnc(c3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(C)(C)O)C(=O)NC1CC1
CC(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C1COC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cn2cc(c(O)cc2n1)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C1CNC1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C1CCNCC1)C(=O)NC1CC1
C[C@@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 |r|
C[C@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 |r|
C[C@@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1 |r|
C[C@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1 |r|
Cc1ccc(cc1-c1cnn(c1)-c1cnn(C)c1)C(=O)NC1CC1
COCCOc1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
COc1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc2CCCCn12)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)-n1cccn1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1csc(CO)n1)C(=O)NC1CC1
Cc1ccc(cc1-c1cnn(c1)-c1cnn2CCN(Cc12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
COc1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C1CCN(CC1)C1COC1)C(=O)NC1CC1
CN(C)C(=O)CN1CCC(CC1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
COc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1
COc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1CN(C)C
CCOc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1
CN1CC(C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
CN1CC[C@@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 |r|
CN1CC[C@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 |r|
COc1cc2ncc(-n3cnc(c3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1
CCN1CCC(F)(CC1)c1cn2c(cnc2cc1OC)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
N(c1ccccc1)c1ncc2[nH]c(cc2n1)-c1ccccc1
CN1CCC(CC1)Oc1ccc(Nc2ncc3[nH]c(cc3n2)-c2ccccc2C)cc1
Cc1ccccc1-c1cc2nc(Nc3cccc(c3)N3CCOCC3)ncc2[nH]1
CN1CCN(CC1)c1cccc(Nc2ncc3[nH]c(cc3n2)-c2ccccc2C)c1
Cc1nc(Nc2ncc3[nH]c(cc3n2)-c2ccccc2C)cc(n1)N1CCN(CCO)CC1
CN1CCN(CC1)c1cccc(Nc2ncc3[nH]c(cc3n2)-c2c(C)cccc2C)c1
Cc1ccccc1-c1cc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2[nH]1
Cc1ccccc1-c1cc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2[nH]1
CN1CCN(Cc2cccc(Nc3ncc4[nH]c(cc4n3)-c3ccccc3C)c2)CC1
CN1CCN(CC1)c1cccc(Nc2ncc3[nH]c(cc3n2)C2CCCC2)c1
CN1CCN(CC1)c1cccc(Nc2ncc3[nH]c(cc3n2)-c2ccsc2)c1
Cc1cccc(C)c1-c1cc2nc(Nc3cccc(c3)N3CCOCC3)ncc2[nH]1
Fc1ccccc1-c1cc2nc(Nc3cccc(c3)N3CCOCC3)ncc2[nH]1
C1CC(CCO1)c1cc2nc(Nc3cccc(c3)N3CCOCC3)ncc2[nH]1
Cc1ccccc1-c1cc2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2[nH]1
OCCN1CCN(CC1)c1cccc(Nc2ncc3[nH]c(cc3n2)-c2ccccc2Cl)c1
CN1CCN(CC1)c1ccc(Nc2ncc3[nH]c(cc3n2)-c2ccccc2C)cc1
CN1CCN(Cc2ccc(Nc3ncc4[nH]c(cc4n3)-c3ccccc3C)cc2)CC1
Cc1ccccc1-c1cc2nc(NCCCN3CCOCC3)ncc2[nH]1
Clc1ccccc1-c1cc2nc(Nc3cccc(c3)N3CCOCC3)ncc2[nH]1
Cc1ccccc1-c1cc2nc(N[C@@H]3CC[C@H](O)CC3)ncc2[nH]1 |r,wU:13.13,16.17,(5.08,-2.1,;5.85,-.77,;7.39,-.77,;8.16,.56,;7.39,1.9,;5.85,1.9,;5.08,.56,;3.54,.56,;2.64,-.68,;1.17,-.21,;-.16,-.98,;-1.49,-.21,;-2.83,-.98,;-4.16,-.21,;-4.16,1.33,;-5.5,2.1,;-6.83,1.33,;-8.16,2.1,;-6.83,-.21,;-5.5,-.98,;-1.49,1.33,;-.16,2.1,;1.17,1.33,;2.64,1.81,)|
Cc1ccccc1-c1cc2nc(NC3CCOCC3)ncc2[nH]1
Cc1ccccc1-c1cc2nc(NCC3CCOCC3)ncc2[nH]1
COc1ccccc1-c1cc2nc(Nc3cccc(c3)N3CCOCC3)ncc2[nH]1
Cc1ccccc1-c1cc2nc(NCC3(CCCC3)N3CCOCC3)ncc2[nH]1
Cc1cccc(n1)-c1nn(cc1-c1ccnc(c1)-c1ccc(cc1)S(C)(=O)=O)C1CCC1
Cc1ncc(s1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
CC1NCCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:5|
CC1N(C)CCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:6|
CC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1C(CCCN1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
C[C@@H]1[C@@H](CCCN1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |r|
C[C@H]1[C@H](CCCN1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |r|
CCN1CCC=C(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:5|
CCN1CCCC(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC(C)N1CCC=C(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:6|
CC(C)N1CCCC(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1N(CCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1)C(C)=O |c:5|
CC1C(CCCN1C(C)=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
COCC(=O)N1CCC=C(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:8|
COCCN1CCC=C(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:7|
COCCN1CCC=C([C@H]1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |r,c:7|
COCCN1CCC=C([C@@H]1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |r,c:7|
COCCN1CCCC(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1C(CCCN1CCF)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1C(CCCN1CC(F)F)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1C(CCCN1C1COC1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1C(CCCN1CCCN)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CCOCCN1CCCC(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1C(CCCN1CCO)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
C1CCN2CCCC(C2C1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CCC1C(CCCN1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CCC1C(CCCN1CC)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1NCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:4|
CC1NCCC1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1N(C)CC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:5|
CC1C(CCN1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CCN1CCC(C1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1C(CCN1CCO)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1(C)NCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:5|
CC1(C)NCCC1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C |t:3|
CN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C
CCN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C
CC1(C)C(CCN1CCO)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
C1OCC11NCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:7|
C1CC2(CO1)NCC=C2c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:8|
CN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C11CCOC1 |t:3|
C1CC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C2(CCOC2)N1
CN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C11CCOC1
CCN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C11CCOC1 |t:4|
CCN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C11CCOC1
C1NC2(CCOCC2)C(=C1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:9|
CCN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C11CCOCC1 |t:4|
CCN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C11CCOCC1
C[C@H]1NCCC=C1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 |r,c:5|
C[C@@H]1NCCC=C1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 |r,c:5|
C[C@H]1NCCC[C@H]1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 |r|
C[C@@H]1NCCC[C@@H]1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 |r|
CCN1CCC=C([C@H]1C)c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 |r,c:5|
CCN1CCC=C([C@@H]1C)c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 |r,c:5|
CCN1CCC[C@H]([C@H]1C)c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 |r|
CCN1CCC[C@@H]([C@@H]1C)c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 |r|
C[C@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
C[C@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
C[C@@H]1NCCC[C@H]1c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
C[C@@H]1NCCC[C@@H]1c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
C[C@@H]1[C@H](CCCN1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
C[C@H]1[C@@H](CCCN1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
C[C@@H]1[C@@H](CCCN1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
C[C@H]1[C@H](CCCN1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
CCN1CCC[C@@H]([C@H]1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
CCN1CCC[C@H]([C@@H]1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
CCN1CCC[C@H]([C@H]1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
CCN1CCC[C@@H]([C@@H]1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1 |r|
C[C@H]1NCCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r,c:5|
C[C@@H]1NCCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r,c:5|
C[C@H]1NCCC[C@@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
C[C@H]1NCCC[C@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
C[C@@H]1NCCC[C@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
C[C@@H]1NCCC[C@@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
C[C@H]1N(C)CCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r,c:6|
C[C@@H]1[C@@H](CCCN1C)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
C[C@H]1[C@@H](CCCN1C)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
C[C@H]1[C@H](CCCN1C)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
CCN1CCC=C([C@H]1C)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r,c:5|
CCN1CCC=C([C@@H]1C)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r,c:5|
CCN1CCC[C@H]([C@H]1C)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
CCN1CCC[C@@H]([C@@H]1C)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1 |r|
CC1NCCC1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
CCN1CCC(C1C)c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
CC1C(CCN1CCO)c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
CC1(C)NCCC1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
CCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C1(C)C
CC1(C)C(CCN1CCO)c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
Fc1cc2scnc2cc1Nc1ccnc2sc(cc12)C1CCNC11CCOC1
CN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C11CCOC1
CCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C11CCOC1
Fc1cc2scnc2cc1Nc1ccnc2sc(cc12)C1CCNC11CCOCC1
CN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C11CCOCC1
CCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C11CCOCC1
CC1NCCC1c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1
CCN1CCC(C1C)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1
CC1C(CCN1CCO)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1
CC1(C)NCCC1c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1
CCN1CCC(c2cc3c(Nc4ccc5scnc5c4F)ccnc3s2)C1(C)C
CC1(C)C(CCN1CCO)c1cc2c(Nc3ccc4scnc4c3F)ccnc2s1
CC1NCCC1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1
CCN1CCC(C1C)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1
CC1C(CCN1CCO)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1
CC1(C)NCCC1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1
CCN1CCC(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)C1(C)C
CC1(C)C(CCN1CCO)c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1
Fc1cc2scnc2c(F)c1Nc1ccnc2sc(cc12)C1CCNC11CCOC1
CN1CCC(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)C11CCOC1
CCN1CCC(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)C11CCOC1
Fc1cc2scnc2c(F)c1Nc1ccnc2sc(cc12)C1CCNC11CCOCC1
CN1CCC(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)C11CCOCC1
CCN1CCC(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)C11CCOCC1
C1CC=C(CCN1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:2|
CN1CCC=C(CC1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:4|
CC(=O)N1CCC=C(CC1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:6|
C1CNCCC(C1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CN1CCCC(CC1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CCN1CCCC(CC1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC(=O)N1CCCC(CC1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
C1CNCC(=CC1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:4|
CN1CCCC=C(C1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:5|
CC(=O)N1CCCC=C(C1)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 |c:7|
CC1NCCCCC1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1C(CCCCN1C)c1cc2c(Nc3ccc4scnc4c3)ccnc2s1
CC1NCCCCC1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
CC1NCCCCC1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1
CC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)c(F)cnc2s1
CC1C(CCCN1C)c1cc2c(Nc3ccc4scnc4c3)c(F)cnc2s1
CCN1CCCC(C1C)c1cc2c(Nc3ccc4scnc4c3)c(F)cnc2s1
CC1NCCCC1c1cc2c(Nc3cc4ncsc4cc3F)c(F)cnc2s1
CC1C(CCCN1C)c1cc2c(Nc3cc4ncsc4cc3F)c(F)cnc2s1
CC1NCCCC1c1cc2c(Nc3ccc4scnc4c3F)c(F)cnc2s1
CC1C(CCCN1C)c1cc2c(Nc3ccc4scnc4c3F)c(F)cnc2s1
CC1NCCCC1c1cc2c(Nc3c(F)cc4scnc4c3F)c(F)cnc2s1
CC1C(CCCN1C)c1cc2c(Nc3c(F)cc4scnc4c3F)c(F)cnc2s1
Nc1nc2ccc(Br)cn2c1C(=O)C1CC1
Cc1ccncc1-c1ccc2nc(N)c(C(=O)C3CC3)n2c1
Cc1ccc2[nH]ncc2c1-c1ccc2nc(N)c(C(=O)C3CC3)n2c1
Nc1nc2ccc(Br)cn2c1C(=O)[C@@H]1C[C@@H]1F |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CC(=O)c1c(N)nc2ccc(cn12)-c1cccc(F)c1C
Cc1cc(F)ccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccs1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccccc1C(F)(F)F |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1C(F)(F)F |r|
Cc1cccc(-c2ccc3nc(N)c(C(=O)[C@@H]4C[C@@H]4F)n3c2)c1C |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)c3ccccn3)n2c1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)c3ccccc3)n2c1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)C3CC3)n2c1
Cc1ccc(F)cc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1ccc(C)c(c1)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1ccc(c(C)c1)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(cccc1C(F)(F)F)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)C3CCC3)n2c1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)c3cnn(C)c3)n2c1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)C(C)(C)C)n2c1
CCCCC(=O)c1c(N)nc2ccc(cn12)-c1cccc(F)c1C
CN(C)CCNc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1C |r|
Cc1cc(F)ccc1-c1ccc2nc(N)c(C(=O)[C@H]3C[C@@H]3F)n2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(N)c(C(=O)[C@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccco1 |r|
Cc1scnc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1ccsc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cncs1 |r|
Cc1c(F)c(F)ccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cnc2[nH]ccc2c1 |r|
CC(=O)Nc1nc2ccc(cn2c1C(C)=O)-c1cccc(F)c1C
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccccc1Cl |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)[C@H]3C[C@H]3F)n2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)C3CCN3C(=O)OC(C)(C)C)n2c1
CC(=O)N(C(C)=O)c1nc2ccc(cn2c1C(C)=O)-c1cccc(F)c1C
CC(=O)c1ccc(c(C)c1)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc(cc1)N1CCOCC1 |r|
Cc1c(cnc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cnc2[nH]ccc2c1Cl |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@H]3F)n2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)[C@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1Cl |r|
Cc1ccc(cc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1)C(F)(F)F |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)C3CC(F)(F)C3)n2c1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3CC3(F)F)n2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)C3CCN3)n2c1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)C3CN(C3)C(=O)OC(C)(C)C)n2c1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)C3CNC3)n2c1
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2[nH]ccc2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc(cc1)N1CCNCC1 |r|
CN1CCN(CC1)c1ccc(cc1)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CNc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1C |r|
CN(C)c1nc2ccc(cn2c1C(=O)[C@H]1C[C@@H]1F)-c1cccc(F)c1C |r|
CN1CCN(CC1)c1cccc(c1)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc2[nH]ccc12 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2cc[nH]c2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc2cc[nH]c12 |r|
Cc1c(F)cc2[nH]ncc2c1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CN(C)c1c(F)c(C)c(-c2ccc3nc(N)c(C(=O)[C@@H]4C[C@@H]4F)n3c2)c2cn[nH]c12 |r|
CSc1c(F)c(C)c(-c2ccc3nc(N)c(C(=O)[C@@H]4C[C@@H]4F)n3c2)c2cn[nH]c12 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2occc2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1c(Cl)c(F)cc2[nH]ncc12 |r|
CN(C)c1c(F)c(Cl)c(-c2ccc3nc(N)c(C(=O)[C@@H]4C[C@@H]4F)n3c2)c2cn[nH]c12 |r|
CSc1c(F)c(Cl)c(-c2ccc3nc(N)c(C(=O)[C@@H]4C[C@@H]4F)n3c2)c2cn[nH]c12 |r|
Nc1nc2ccc(cn2c1C(=O)c1ccccn1)-c1ccc2[nH]ccc2c1
Nc1nc2ccc(cn2c1C(=O)c1ccccn1)-c1cnc2[nH]ccc2c1
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cnc2[nH]ccc2c1F |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)OC(C)(C)C)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(N3CCCC3)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1cc(sn1)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2[nH]ccc2c1Cl |r|
Cc1c(cnc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)c3ccccn3)n2c1
Nc1nc2ccc(cn2c1C(=O)c1ccccn1)-c1cnc2[nH]ccc2c1Cl
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)c3ncccn3)n2c1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)c3ccncn3)n2c1
Nc1nc2ccc(cn2c1C(=O)c1ccncn1)-c1cnc2[nH]ccc2c1
Nc1nc2ccc(cn2c1C(=O)c1ncccn1)-c1cnc2[nH]ccc2c1
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2[nH]ncc2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2[nH]ncc2c1Cl |r|
Cc1c(cnc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)C3CNC3)n2c1
Nc1nc2ccc(cn2c1C(=O)C1CNC1)-c1cnc2[nH]ccc2c1Cl
Cc1c(cnc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)c3ccncn3)n2c1
Cc1c(cnc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)c3ncccn3)n2c1
Nc1nc2ccc(cn2c1C(=O)C1CNC1)-c1cnc2[nH]ccc2c1
CNCCNc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1C |r|
CC(=O)Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1C |r|
Cc1c(ccc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(ccc2[nH]ncc12)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)C1CCNC1)-c1cnc2[nH]ccc2c1
Nc1nc2c(F)cc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2[nH]ccc2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NCCN)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(cnc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)C3CCNC3)n2c1
Nc1nc2ccc(cn2c1C(=O)C1CCNC1)-c1cnc2[nH]ccc2c1Cl
Nc1nc2c(F)cc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc2[nH]ccc12 |r|
Cc1c(cnc2[nH]ccc12)-c1cc(F)c2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CC(C)(C)OC(=O)n1cc(-c2ccc3nc(N)c(C(=O)[C@@H]4C[C@@H]4F)n3c2)c2ccccc12 |r|
Cc1c(F)cccc1-c1cc(F)c2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1ccc2[nH]ccc2c1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1c(F)ccc2[nH]ccc12 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2[nH]cnc2c1 |r|
Cc1c(ccc2[nH]cnc12)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccnc2[nH]ccc12 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1c[nH]c2ccccc12 |r|
Cc1c(cnc2n(C)ccc12)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CN(C1CC1)C(=O)c1c(N)nc2ccc(cn12)-c1cccc(F)c1C
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)N[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)NC3CC3)n2c1
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1c[nH]c2ncccc12 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1c[nH]c2ccc(Cl)cc12 |r|
CC(=O)NNC(=O)c1c(N)nc2ccc(cn12)-c1cccc(F)c1C
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cc(F)cc2[nH]ccc12 |r|
Cc1c(F)cc2[nH]ccc2c1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccnc2ccccc12 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cnc2ccccc2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cncc2ccccc12 |r|
Cc1ccccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccccc1OCCF |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1OCCF |r|
CC(C)(C)OC(=O)n1cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CC(C)(C)OC(=O)n1ccc(c1)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1CCCO |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc[nH]1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cc[nH]c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1CCO |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1CO |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccccc1CCO |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccccc1CCCO |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccccc1CCF |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1CCCF |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccccc1CCCF |r|
Cc1c(N)cc(F)cc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1cc(c(F)cc1N)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
COC(=O)c1c(N)nc2ccc(cn12)-c1cccc(F)c1C
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1CCF |r|
CC(C)(C)OC(=O)NCc1ccccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
NCc1ccccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@H]1F)-c1ccccc1CCF |r|
Nc1nc2ccc(cn2c1C(=O)[C@H]1C[C@@H]1F)-c1ccccc1CCF |r|
Nc1nc2ccc(cn2c1C(=O)[C@H]1C[C@H]1F)-c1ccccc1OCCF |r|
Cc1ccc(N)cc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1cccc(N)c1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CO\C=C\c1c(F)cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc(F)c1C=C |r|
CNc1cc(F)cc(c1C)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CN(C)c1cc(F)cc(-c2ccc3nc(N)c(C(=O)[C@@H]4C[C@@H]4F)n3c2)c1C |r|
Cc1c(F)cccc1Nc1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
CN(C)c1c(F)c(Cl)c(-c2ccc3nc(N)c(C(=O)NC4CC4)n3c2)c2cn[nH]c12
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@H]1F)-c1ccccc1OCCF |r|
CSc1c(F)c(Cl)c(-c2ccc3nc(N)c(C(=O)O[C@@H]4COC[C@H]4C)n3c2)c2cn[nH]c12 |r|
Nc1nn2ccc(cc2c1C(=O)C1CC1)-c1cccc2[nH]ccc12
Cc1c(F)cc2[nH]ncc2c1-c1ccn2nc(N)c(C(=O)C3CC3)c2c1
Cc1c(F)cccc1-c1ccn2nc(N)c(C(=O)C3CC3)c2c1
Cc1c(F)cc(N)cc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@H]1C[C@H]1F)-c1ccc2[nH]ccc2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@H]1C[C@@H]1F)-c1ccc2[nH]ccc2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@H]1F)-c1ccc2[nH]ccc2c1 |r|
Cc1c(ccc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)[C@H]3C[C@H]3F)n2c1 |r|
Cc1c(F)cccc1Oc1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(ccc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)[C@H]3C[C@@H]3F)n2c1 |r|
Cc1c(ccc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@H]3F)n2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
Cc1nc2[nH]ccc2cc1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cc2cc[nH]c2nc1Cl
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1F
COc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]cc(F)c2c1
Cc1cc2cc(cnc2[nH]1)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
Cc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
Nc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]cc(Cl)c2c1
Cc1c[nH]c2ncc(cc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
CCc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
CSc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
CC(C)c1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1C1CC1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1C#N
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]c(Cl)cc2c1
Cc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@H]3C[C@H]3F)cc2c1
Cc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@H]3C[C@@H]3F)cc2c1
Cc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@H]3F)cc2c1
Clc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cc1c(cnc2[nH]cc(F)c12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
Cc1c(cnc2[nH]cc(Cl)c12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
F[C@H]1C[C@@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
F[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]cc(Cl)c2c1Cl
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]cc(F)c2c1Cl
CP(C)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)P(C)(C)=O
CP(C)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Cc1[nH]nc(Nc2ccnc3ccc(cc23)P(C)(C)=O)c1C
CP(C)(=O)c1ccc2nccc(Nc3cc(O)ccc3F)c2c1
COc1cc2nccc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OCCO
COCCOc1cc2nccc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O
CC1(COc2cc3nccc(Nc4ccc5scnc5c4)c3cc2P(C)(C)=O)COC1
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OC1CCOC1
Cn1cc(cn1)-c1cc2nccc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1-c1cc[nH]n1
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1-c1cnn(c1)C1CCNCC1
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1O[C@H]1CCOC1 |r|
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1O[C@@H]1CCOC1 |r|
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OC1COC1
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1F
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OC1CCC1
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OC(F)(F)F
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OC(F)F
CP(C)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1C1COC1
CP(C)(=O)c1cnc2nccc(Nc3ccc4scnc4c3)c2c1
C1CN(CCN1c1cc(-c2ccncc2)c(nn1)-c1ccccc1)c1ncccn1
C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Cc1cccc(n1)c2c([nH]c(n2)C(C)(C)C)c3ccc4c(c3)OCO4
Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O |(13.61,.14,;12.84,-1.19,;13.61,-2.53,;12.84,-3.86,;11.3,-3.86,;10.53,-2.53,;11.3,-1.19,;8.99,-2.53,;8.08,-1.28,;6.62,-1.76,;5.15,-1.28,;4.25,-2.53,;5.15,-3.77,;6.62,-3.3,;8.08,-3.77,;8.56,-5.24,;10.06,-5.56,;10.54,-7.02,;9.51,-8.17,;8,-7.85,;6.97,-8.99,;5.47,-8.67,;4.99,-7.21,;6.02,-6.06,;7.53,-6.38,;3.48,-6.89,;3.01,-5.42,;2.45,-8.03,)|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)c3c(nc(s3)N4CCOCC4)c5cccc(c5)NS(=O)(=O)c6c(cccc6F)F
COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH]3)c4ccc(cc4)Cl
CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Oc3ccncc3
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O
CNc1cc(Oc2c(F)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2F)ccn1
CS(=O)(=O)c1ccc2nccc(Nc3ccc4[nH]nnc4c3)c2c1
CS(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
CS(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Cc1ccc(O)cc1Nc1ccnc2ccccc12
Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)-c1cccnc1
Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)C(=O)NCC1CCOCC1
COc1ccc2nccc(Nc3cc(O)ccc3C)c2c1
Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)C(F)(F)F
CC(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Brc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N
CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1
COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)Oc4ccccc4
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC1=Cc2cc3ncnc(Nc4ccc5scnc5c4)c3cc2S1(=O)=O |t:1|
CC1=Cc2cc3nc(C)nc(Nc4ccc5scnc5c4)c3cc2S1(=O)=O |t:1|
CC1=C(C)S(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc12 |c:1|
CCOC1=C(C)S(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc12 |c:3|
CC1=CS(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc12 |t:1|
CCOC1=CS(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc12 |t:3|
COC1=CS(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc12 |t:2|
O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5scnc5c4)c3cc12 |t:3|
O=S1(=O)C=C(c2cc3ncnc(Nc4ccc5scnc5c4)c3cc12)c1ccccc1 |c:3|
Fc1ccc(cc1)C1=CS(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc12 |t:8|
CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4
Cc1ccc(O)cc1Nc1ncnc2cc3C(=CS(=O)(=O)c3cc12)C1CC1 |c:17|
Oc1ccc(F)c(Nc2ncnc3cc4C(=CS(=O)(=O)c4cc23)C2CC2)c1 |c:15|
Fc1ccc2[nH]nc(Nc3ncnc4cc5C(=CS(=O)(=O)c5cc34)C3CC3)c2c1 |c:16|
Cc1[nH]nc(Nc2ncnc3cc4C(=CS(=O)(=O)c4cc23)C2CC2)c1C |c:13|
O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5cc[nH]c5c4)c3cc12 |t:3|
O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5nc[nH]c5c4)c3cc12 |t:3|
O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5nn[nH]c5c4)c3cc12 |t:3|
COc1cc2ncc(-c3cc(Cl)cc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(C(=O)Oc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3cccc(O)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)(C)C
CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)C
COc1cccc(c1)-c1cnc2cc(OC)c(cn12)S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccc4cn[nH]c4c3)n2cc1S(=O)(=O)C(C)(C)C
CC(C)(C)S(=O)(=O)c1cn2c(cc1OCCN3CCN(CC3)C)ncc2c4cc(nc(c4)Cl)N
COCCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C
CCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C
CC(C)Oc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3cccc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccccc3Cl)n2cc1S(=O)(=O)C(C)(C)C
COc1ccc(cc1)-c1cnc2cc(OC)c(cn12)S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccccc3C(N)=O)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3cccc(c3)C(N)=O)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3cccc(c3)C#N)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccc(C(N)=O)c(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccc(O)c(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc(Cl)cc(c1)-c1cnc2cc(OC)c(cn12)S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3cc(O)cc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccnc(N)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccnc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccc4[nH]ncc4c3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C
COc1ccccc1-c1cnc2cc(OC)c(cn12)S(=O)(=O)C(C)(C)C
CC(C)(C)S(=O)(=O)c1cn2c(cnc2cc1OC1CC1)-c1cc(N)nc(Cl)c1
COc1cc2ncc(-c3ccc(O)cc3)n2cc1S(=O)(=O)C(C)(C)C
c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl
COc1cc2ncc(-c3ccc(Cl)cc3)n2cc1S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccc(cc3)C(N)=O)n2cc1S(=O)(=O)C(C)(C)C
COc1cc(ccc1O)-c1cnc2cc(OC)c(cn12)S(=O)(=O)C(C)(C)C
COc1cc2ncc(-c3ccc4nc[nH]c4c3)n2cc1S(=O)(=O)C(C)(C)C
CC(C)(C)S(=O)(=O)c1cn2c(cnc2cc1OCC(F)(F)F)-c1cc(N)nc(Cl)c1
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O
OC(=O)CSc1ccc(NC(=O)Nc2ccccc2F)cc1F
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ncc(F)cc34)c2c1
Cc1[nH]nc(Nc2ccnc3cc(OC(F)(F)F)c(cc23)S(=O)(=O)C(C)(C)C)c1C
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4CCCCc34)c2c1
COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3cc[nH]n3)c2c1
Cc1cc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)n[nH]1
Cc1[nH]nc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)c1C
COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
CCn1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1
[H][C@]12C[C@H](O)[C@]([H])(C1)Cn1nc(c(C(N)=O)c1N2)-c1ccc2scnc2c1 |r|
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc(Cl)c(Cl)c1
CC(C)(C)c1nn(c(N)c1C(N)=O)-c1ccc2ccccc2c1
NC(=O)c1c2NCCCCn2nc1-c1ccc2scnc2c1
COc1cccc(c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
COc1cc(ccc1Cl)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
COc1cccc(c1)-n1nc(c(C(N)=O)c1N)C(C)(C)C
Cc1cccc(c1)-n1nc(c(C(N)=O)c1N)C(C)(C)C
CC(C)(C)c1nn(c(N)c1C(N)=O)-c1ccc(Cl)c(Cl)c1
CC(C)(C)c1nn(c(N)c1C(N)=O)-c1ccc2[nH]ncc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nonc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc[nH]c2c1
CCn1nc(c(C(N)=O)c1NC)-c1ccc2scnc2c1
NC(=O)c1c2NCCCn2nc1-c1ccc2scnc2c1
[H][C@]12CC[C@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|
[H][C@@]12C[C@@H](O)[C@@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|
[H][C@]12C[C@H](O)[C@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|
NC(=O)c1cnn(c1N)-c1ccccc1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1
NC(=O)c1c2NCCCCCn2nc1-c1ccc2scnc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2[nH]ncc2c1
COc1cc(ccc1Cl)-n1nc(c(C(N)=O)c1N)C(C)(C)C
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2OCOc2c1
Cc1cccc(c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2[nH]cnc2c1
[H][C@@]12C[C@@H](O)[C@@]([H])(C1)Cn1nc(c(C(N)=O)c1N2)-c1ccc2scnc2c1 |r|
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3cc(Br)c[nH]3)c12
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
Cc1ccc(COC(=O)Nc2cc(ccn2)-c2cc3c(CCNC3=O)[nH]2)cc1
Cc1c(C)c(Oc2ccncc2)ccc1NC(=O)c1cccn(-c2ccc(F)cc2)c1=O
Nc1ccc(nc1)C#Cc1c(N)nccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F
CC#Cc1c(N)nccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccncc3)c(F)c2)c1=O
Cc1cc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc(C)c1Oc1ccncc1
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccncc3)c3ccccc23)c1=O
c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)NC(=O)C5CC5)F
Cc1cc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)ccc1Oc1ccnc(NC(=O)C2CC2)c1
Fc1ccc(cc1)-c1cccc(c1)C(=O)Nc1ccc(Oc2ccncc2)c(F)c1
Cc1c(c(ccc1NC(=O)C2=CC=CN(C2=O)c3ccc(cc3)F)Oc4ccnc(c4)NC(=O)C5CC5)C
Cc1cc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc(C)c1Oc1ccnc(NC(=O)C2CC2)c1
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F
COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C
CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4
Cc1ccc(CCCCN2C(=O)N[C@H](Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1C#Cc1cnc2cccnn12 |r|
CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1cc(cc(c1OC)OC)Nc2ccnc3c2ccc(c3)C#N
COc1ccc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2c1
COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
COc1cc(Nc2ccnc3ccc(cc23)C(C)(C)C)cc(OC)c1OC
COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
COc1cc(Nc2ccnc3ccccc23)cc(OC)c1OC
COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1
COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
COc1cc(Nc2ccnc3ccc(I)cc23)cc(OC)c1OC
COc1cc(Nc2ccnc3ccc(cc23)C#N)cc(OC)c1OC
Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3
COc1cc(Nc2ccnc3ccc(Cl)cc23)cc(OC)c1OC
COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
CCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCOc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(ccc1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc2OCCOc12)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(C)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(Cl)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)NCc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)N1CCc2ccc(cc12)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)N1CCOc2ccc(cc12)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(ccc1OC)-c1cc(cnc1N)-c1cccc(c1)S(C)(=O)=O
CCCS(=O)(=O)Nc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)S(C)(=O)=O
CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1
CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(cc4)C(C)(C)C)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(O)cc4)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CCO)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CCOC)c3n2)cc1 |(30.47,-43.28,;31.8,-42.51,;33.14,-43.28,;33.14,-44.82,;31.81,-45.59,;34.47,-42.51,;35.81,-43.28,;37.14,-42.51,;38.47,-43.28,;38.47,-44.83,;39.81,-45.6,;41.14,-44.83,;42.48,-45.59,;43.81,-44.82,;43.8,-43.29,;45.12,-42.51,;46.47,-43.28,;47.8,-42.51,;49.14,-43.29,;50.47,-42.52,;51.8,-43.3,;51.79,-44.84,;53.14,-42.54,;53.15,-41,;51.81,-40.22,;50.48,-40.99,;49.14,-40.22,;49.13,-44.83,;50.46,-45.61,;47.79,-45.6,;47.78,-47.14,;46.44,-47.9,;46.44,-49.44,;45.1,-50.2,;46.46,-44.82,;45.14,-45.59,;41.14,-43.28,;39.8,-42.51,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccccc4)c3n2)cc1 |(58.86,-44.1,;60.19,-43.33,;61.53,-44.1,;61.53,-45.64,;60.19,-46.41,;62.86,-43.33,;64.19,-44.1,;65.53,-43.33,;66.86,-44.1,;66.86,-45.64,;68.19,-46.41,;69.53,-45.64,;70.87,-46.41,;72.2,-45.64,;72.19,-44.1,;73.51,-43.33,;74.86,-44.1,;76.19,-43.32,;77.53,-44.1,;78.86,-43.34,;78.86,-41.81,;77.53,-41.04,;80.2,-41.04,;81.54,-41.82,;81.53,-43.36,;80.19,-44.12,;80.18,-45.66,;77.52,-45.65,;78.85,-46.43,;76.18,-46.41,;76.17,-47.95,;74.83,-48.72,;73.51,-47.93,;72.17,-48.69,;72.17,-50.24,;73.51,-51.01,;74.84,-50.25,;74.85,-45.64,;73.53,-46.41,;69.53,-44.09,;68.19,-43.33,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC(C)C)c3n2)cc1 |(1.53,-6.82,;2.86,-6.05,;4.2,-6.82,;4.2,-8.36,;2.86,-9.13,;5.53,-6.05,;6.87,-6.82,;8.2,-6.05,;9.53,-6.82,;9.53,-8.37,;10.86,-9.14,;12.2,-8.36,;13.54,-9.13,;14.87,-8.36,;14.86,-6.82,;16.18,-6.05,;17.53,-6.82,;18.86,-6.04,;20.2,-6.83,;21.53,-6.06,;21.54,-4.53,;20.2,-3.76,;22.87,-3.76,;24.21,-4.54,;24.2,-6.08,;22.86,-6.84,;22.85,-8.38,;20.19,-8.37,;21.52,-9.15,;18.85,-9.13,;18.84,-10.67,;17.5,-11.44,;16.17,-10.66,;17.5,-12.98,;17.52,-8.36,;16.2,-9.13,;12.2,-6.81,;10.86,-6.05,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4cccc(c4)S(C)(=O)=O)c3n2)cc1 |(26.34,-6.01,;27.68,-5.24,;29.01,-6.01,;29.01,-7.55,;27.68,-8.32,;30.34,-5.24,;31.68,-6,;33.01,-5.23,;34.34,-6,;34.34,-7.55,;35.68,-8.32,;37.01,-7.55,;38.35,-8.32,;39.68,-7.54,;39.67,-6.01,;40.99,-5.23,;42.34,-6,;43.67,-5.23,;45.01,-6.01,;46.35,-5.25,;46.35,-3.71,;45.01,-2.94,;47.68,-2.94,;49.02,-3.72,;49.01,-5.26,;47.67,-6.02,;47.66,-7.56,;45,-7.55,;46.33,-8.33,;43.66,-8.32,;43.65,-9.86,;42.32,-10.62,;40.99,-9.84,;39.66,-10.6,;39.65,-12.14,;40.99,-12.92,;42.32,-12.15,;40.98,-14.45,;39.65,-15.22,;42.47,-14.05,;42.07,-15.54,;42.33,-7.54,;41.01,-8.31,;37.01,-6,;35.67,-5.23,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccc(cc4)S(C)(=O)=O)c3n2)cc1 |(54.68,-6.89,;56.02,-6.11,;57.35,-6.88,;57.35,-8.42,;56.02,-9.19,;58.68,-6.11,;60.02,-6.88,;61.35,-6.11,;62.69,-6.88,;62.68,-8.43,;64.02,-9.2,;65.36,-8.43,;66.69,-9.19,;68.02,-8.42,;68.01,-6.89,;69.34,-6.11,;70.68,-6.88,;72.01,-6.11,;73.35,-6.89,;74.69,-6.12,;74.69,-4.59,;73.36,-3.82,;76.02,-3.82,;77.36,-4.6,;77.35,-6.14,;76.01,-6.9,;76.01,-8.44,;73.34,-8.43,;74.67,-9.21,;72,-9.2,;72,-10.74,;70.66,-11.5,;69.33,-10.72,;68,-11.48,;67.99,-13.02,;69.33,-13.8,;70.66,-13.03,;66.65,-13.78,;65.32,-13.01,;67.41,-15.11,;65.88,-15.11,;70.68,-8.42,;69.35,-9.19,;65.35,-6.88,;64.01,-6.11,)|
Cn1c2nc(Nc3ccc(cc3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(13.36,-27.74,;13.37,-26.2,;12.04,-25.43,;10.72,-26.2,;9.39,-25.43,;8.06,-26.2,;6.72,-25.43,;5.39,-26.2,;4.05,-25.43,;4.06,-23.89,;5.38,-23.12,;6.72,-23.88,;2.72,-23.12,;1.39,-23.89,;1.94,-21.78,;3.49,-21.78,;9.38,-23.89,;10.7,-23.12,;12.05,-23.89,;13.38,-23.11,;14.72,-23.9,;16.05,-23.13,;16.05,-21.6,;14.72,-20.83,;17.38,-20.83,;18.72,-21.61,;18.71,-23.15,;17.38,-23.91,;17.37,-25.45,;14.71,-25.44,;16.04,-26.22,)|
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(31.78,-28.56,;31.78,-27.03,;30.46,-26.25,;29.13,-27.02,;27.81,-26.25,;26.47,-27.02,;25.14,-26.26,;23.8,-27.03,;22.47,-26.26,;22.47,-24.71,;23.8,-23.94,;25.13,-24.71,;23.79,-22.4,;25.13,-21.63,;22.3,-21.99,;23.39,-20.9,;27.79,-24.72,;29.12,-23.94,;30.46,-24.71,;31.8,-23.94,;33.13,-24.72,;34.47,-23.96,;34.47,-22.42,;33.14,-21.65,;35.8,-21.65,;37.14,-22.43,;37.13,-23.97,;35.79,-24.73,;35.78,-26.27,;33.13,-26.26,;34.45,-27.04,)|
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccc(Cl)cc2)c1=O
CC(C)Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccc(Cl)cc2)c1=O
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccccc2Cl)c1=O
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2cccc(Cl)c2Cl)c1=O
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccc(F)cc2Cl)c1=O
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2cc(Cl)ccc2Cl)c1=O
Cc1ccc(c(Cl)c1)-c1cc2cnc(Nc3cccc(c3)S(C)(=O)=O)nc2n(C)c1=O
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccc(O)cc2)c1=O
COc1ccc(cc1)-c1cc2cnc(Nc3cccc(c3)S(C)(=O)=O)nc2n(C)c1=O
COCCNC(=O)c1cc(CNc2ccc(Cl)c(O)c2)cc(c1)-c1ccc2c(Cl)ccnc2c1
Oc1cc(Nc2ccnc3cc(ccc23)-c2ccccc2)ccc1Cl
N(c1ccc2scnc2c1)c1ccnc2cc(ccc12)-c1ccccc1
COCCNC(=O)c1cc(CNc2ccc(Cl)c(O)c2)cc(c1)-c1ccc2c(Nc3ccc(Cl)c(O)c3)ccnc2c1
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCOCCOCCOCCOc3cc4nccc(Nc5ccc6scnc6c5)c4cc3S(=O)(=O)C(C)(C)C)ccc2C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r|
CC[C@@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)NC(=O)COCCOCCOCCOCCOc1cc2nccc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C)c1ccccc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)COCCOCCOCCOCCOc1cc2nccc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCOCCOCCOCCOc3cc4ncnc(Nc5n[nH]c(C)c5C)c4cc3S(=O)(=O)C(C)(C)C)ccc2C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)COCCOCCOCCOCCOc1cc2ncnc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(nc1)N1CCC(COc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(nc1)N1CCC(CCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(nc1)N1CCC(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(nc1)N1CCN(CCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(nc1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1ccc(cc1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1ccc(nc1)N1CCN(CCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1ccc(nc1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(cn1)N1CCN(CCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
CN[C@H](C)C(=O)N[C@@H](C(=O)N1C[C@H](C[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C |r|
[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCCc2ccccc12 |r|
CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C |r|
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCN(C[C@H]2C)c2ncc(cn2)C(=O)N2CCN(CCCOc3cc4ncnc(Nc5n[nH]c(C)c5C)c4cc3S(=O)(=O)C(C)(C)C)CC2)CN1 |r|
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2CCN(C[C@H]2C)c2ncc(cn2)C(=O)N2CCN(CCCOc3cc4ncnc(Nc5n[nH]c(C)c5C)c4cc3S(=O)(=O)C(C)(C)C)CC2)CN1 |r|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)NC1CCCc2ccccc12)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C |r|
[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)NC(=O)[C@H](C)NC)C(=O)NC1CCCc2ccccc12 |r|
CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnc3ccccn23)cc1
[#6]-[#8]-[#6]1=[#6]-[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)\[#6]-1=[#6](/[#8])\[#6]=[#6]\c1ccccc1 |t:2|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@H](N)CC2)c2ncnc(N)c12 |r,wU:11.11,14.15,(1.43,7.74,;2.52,6.65,;2.12,5.16,;.63,4.76,;.23,3.28,;1.32,2.19,;2.82,2.59,;3.21,4.08,;.92,.7,;1.83,-.54,;.92,-1.79,;1.32,-3.28,;.23,-4.36,;.63,-5.85,;2.12,-6.25,;2.52,-7.74,;3.21,-5.16,;2.81,-3.67,;-.54,-1.31,;-1.87,-2.08,;-3.21,-1.31,;-3.21,.23,;-1.87,1,;-1.87,2.54,;-.54,.23,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NC(C)=O)c2ncnc(N)c12 |r,wU:11.11,14.18,(.49,8.68,;1.58,7.59,;1.18,6.11,;-.31,5.71,;-.71,4.22,;.38,3.13,;1.87,3.53,;2.26,5.02,;-.02,1.65,;.89,.4,;-.02,-.85,;.38,-2.33,;-.71,-3.42,;-.31,-4.91,;1.18,-5.31,;2.27,-4.22,;1.87,-2.73,;1.58,-6.8,;3.06,-7.19,;3.46,-8.68,;4.15,-6.11,;-1.48,-.37,;-2.82,-1.14,;-4.15,-.37,;-4.15,1.17,;-2.82,1.94,;-2.82,3.48,;-1.48,1.17,)|
CCC(=O)N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(OC)cc2)c2c(N)ncnc12 |r,wU:8.11,5.4,(4.55,-8.88,;3.06,-8.48,;2.66,-6.99,;3.75,-5.91,;1.18,-6.6,;.78,-5.11,;-.71,-4.71,;-1.11,-3.22,;-.02,-2.13,;1.47,-2.53,;1.87,-4.02,;-.42,-.65,;.49,.6,;-.42,1.85,;-.02,3.33,;-1.11,4.42,;-.71,5.91,;.78,6.3,;1.18,7.79,;.09,8.88,;1.86,5.22,;1.47,3.73,;-1.88,1.37,;-3.22,2.14,;-3.22,3.68,;-4.55,1.37,;-4.55,-.17,;-3.22,-.94,;-1.88,-.17,)|
CCCC(=O)N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(OC)cc2)c2c(N)ncnc12 |r,wU:9.12,6.5,(4.75,-9.62,;4.35,-8.14,;2.86,-7.74,;2.47,-6.25,;3.55,-5.16,;.98,-5.85,;.58,-4.36,;-.91,-3.97,;-1.31,-2.48,;-.22,-1.39,;1.27,-1.79,;1.67,-3.28,;-.62,.1,;.29,1.34,;-.62,2.59,;-.22,4.08,;-1.31,5.17,;-.91,6.65,;.58,7.05,;.98,8.54,;-.11,9.62,;1.67,5.97,;1.28,4.48,;-2.08,2.11,;-3.42,2.88,;-3.42,4.42,;-4.75,2.11,;-4.75,.57,;-3.42,-.2,;-2.08,.57,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NC(=O)C(C)(C)C)c2ncnc(N)c12 |r,wU:11.11,14.18,(.09,9.43,;1.18,8.34,;.78,6.85,;-.71,6.45,;-1.11,4.97,;-.02,3.88,;1.47,4.28,;1.86,5.77,;-.42,2.39,;.49,1.14,;-.42,-.1,;-.02,-1.59,;-1.11,-2.68,;-.71,-4.17,;.78,-4.56,;1.87,-3.48,;1.47,-1.99,;1.18,-6.05,;2.66,-6.45,;3.75,-5.36,;3.06,-7.94,;4.55,-8.34,;1.97,-9.03,;3.46,-9.43,;-1.88,.37,;-3.22,-.4,;-4.55,.37,;-4.55,1.91,;-3.22,2.69,;-3.22,4.22,;-1.88,1.91,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ncnc(N)c12 |r,wU:11.11,14.18,(-1.4,11.26,;-.31,10.17,;-.71,8.68,;-2.19,8.28,;-2.59,6.8,;-1.5,5.71,;-.01,6.11,;.38,7.6,;-1.9,4.22,;-1,2.98,;-1.9,1.73,;-1.5,.24,;-2.59,-.84,;-2.2,-2.33,;-.71,-2.73,;.38,-1.64,;-.02,-.15,;-.31,-4.22,;1.18,-4.62,;2.27,-3.53,;1.58,-6.1,;3.06,-6.5,;3.46,-7.99,;4.95,-8.39,;6.04,-7.3,;2.37,-9.08,;2.77,-10.56,;4.26,-10.96,;.89,-8.68,;-.2,-9.77,;.2,-11.26,;.48,-7.2,;-3.37,2.21,;-4.7,1.44,;-6.04,2.21,;-6.04,3.75,;-4.7,4.52,;-4.7,6.06,;-3.37,3.75,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NC(=O)C(C)Cl)c2ncnc(N)c12 |r,wU:11.11,14.18,(.09,9.23,;1.18,8.14,;.78,6.65,;-.71,6.25,;-1.11,4.77,;-.02,3.68,;1.48,4.08,;1.86,5.57,;-.42,2.19,;.49,.95,;-.42,-.3,;-.02,-1.79,;-1.11,-2.87,;-.71,-4.36,;.78,-4.76,;1.87,-3.67,;1.47,-2.18,;1.18,-6.25,;2.66,-6.65,;3.75,-5.56,;3.06,-8.13,;1.97,-9.23,;4.55,-8.53,;-1.88,.18,;-3.22,-.59,;-4.55,.18,;-4.55,1.72,;-3.22,2.49,;-3.22,4.03,;-1.88,1.72,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NCC=C)c2ncnc(N)c12 |r,wU:11.11,14.18,(.83,9.23,;1.92,8.14,;1.52,6.65,;.04,6.25,;-.36,4.77,;.72,3.68,;2.22,4.08,;2.61,5.57,;.33,2.19,;1.23,.95,;.33,-.3,;.72,-1.79,;-.36,-2.87,;.03,-4.36,;1.52,-4.76,;2.61,-3.67,;2.21,-2.18,;1.92,-6.25,;3.41,-6.65,;3.81,-8.13,;2.71,-9.23,;-1.14,.18,;-2.47,-.59,;-3.81,.18,;-3.81,1.72,;-2.47,2.49,;-2.47,4.03,;-1.14,1.72,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NS(=O)(=O)C(F)(F)F)c2ncnc(N)c12 |r,wU:11.11,14.18,(.09,9.43,;1.18,8.34,;.78,6.85,;-.71,6.45,;-1.11,4.97,;-.02,3.88,;1.48,4.28,;1.86,5.77,;-.42,2.39,;.49,1.14,;-.42,-.1,;-.02,-1.59,;-1.11,-2.68,;-.71,-4.17,;.78,-4.56,;1.87,-3.48,;1.47,-1.99,;1.18,-6.05,;2.66,-6.45,;3.43,-5.12,;4.15,-6.85,;3.06,-7.94,;4.55,-8.34,;1.97,-9.03,;3.46,-9.43,;-1.88,.37,;-3.22,-.4,;-4.55,.37,;-4.55,1.91,;-3.22,2.69,;-3.22,4.22,;-1.88,1.91,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NCC#N)c2ncnc(N)c12 |r,wU:11.11,14.18,(.63,9.43,;1.72,8.34,;1.32,6.85,;-.16,6.45,;-.56,4.97,;.53,3.88,;2.02,4.28,;2.41,5.77,;.13,2.39,;1.03,1.14,;.13,-.1,;.53,-1.59,;-.56,-2.68,;-.16,-4.17,;1.32,-4.56,;2.41,-3.48,;2.01,-1.99,;1.72,-6.05,;3.21,-6.45,;3.61,-7.94,;4.01,-9.43,;-1.34,.37,;-2.67,-.4,;-4.01,.37,;-4.01,1.91,;-2.67,2.69,;-2.67,4.22,;-1.34,1.91,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NCc2cccc(OC(F)(F)F)c2)c2ncnc(N)c12 |r,wU:11.11,14.18,(-2.14,10.17,;-1.05,9.08,;-1.45,7.59,;-2.94,7.19,;-3.34,5.71,;-2.25,4.62,;-.75,5.02,;-.37,6.51,;-2.65,3.13,;-1.74,1.89,;-2.65,.64,;-2.25,-.85,;-3.34,-1.94,;-2.94,-3.42,;-1.45,-3.82,;-.36,-2.73,;-.76,-1.25,;-1.05,-5.31,;.43,-5.71,;.83,-7.2,;-.26,-8.29,;.15,-9.77,;1.63,-10.17,;2.72,-9.08,;4.2,-9.48,;5.29,-8.39,;6.78,-8.79,;4.89,-6.9,;6.38,-7.3,;2.32,-7.59,;-4.11,1.12,;-5.45,.35,;-6.78,1.12,;-6.78,2.66,;-5.45,3.43,;-5.45,4.97,;-4.11,2.66,)|
COc1ccc(cc1)-c1cn([C@@H]2CC[C@@H](CC2)NCc2ccccc2)c2ncnc(N)c12 |r,wU:11.11,14.18,(-.11,10.17,;.98,9.08,;.58,7.59,;-.91,7.19,;-1.31,5.71,;-.22,4.62,;1.28,5.02,;1.67,6.51,;-.62,3.13,;.29,1.89,;-.62,.64,;-.22,-.85,;-1.31,-1.94,;-.91,-3.42,;.58,-3.82,;1.67,-2.73,;1.27,-1.25,;.98,-5.31,;2.47,-5.71,;2.86,-7.2,;4.35,-7.59,;4.75,-9.08,;3.66,-10.17,;2.18,-9.77,;1.77,-8.29,;-2.08,1.12,;-3.41,.35,;-4.75,1.12,;-4.75,2.66,;-3.41,3.43,;-3.41,4.97,;-2.08,2.66,)|
N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-7.19,;2.12,-5.71,;.63,-5.31,;.23,-3.82,;1.32,-2.73,;2.81,-3.13,;3.21,-4.62,;.92,-1.24,;1.83,0,;.92,1.25,;1.32,2.74,;.23,3.83,;.63,5.31,;2.12,5.71,;2.52,7.19,;3.21,4.62,;2.82,3.14,;-.54,.77,;-1.87,1.54,;-1.87,3.08,;-3.21,.77,;-3.21,-.77,;-1.87,-1.54,;-.54,-.77,)|
N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(F)cc2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-7.19,;2.12,-5.71,;.63,-5.31,;.23,-3.82,;1.32,-2.73,;2.81,-3.13,;3.21,-4.62,;.92,-1.24,;1.83,0,;.92,1.25,;1.32,2.74,;.23,3.82,;.63,5.31,;2.12,5.71,;2.52,7.19,;3.21,4.62,;2.82,3.14,;-.54,.77,;-1.87,1.54,;-1.87,3.08,;-3.21,.77,;-3.21,-.77,;-1.87,-1.54,;-.54,-.77,)|
N[C@H]1CC[C@H](CC1)n1cc(-c2cccc(F)c2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-6.8,;2.12,-5.31,;.63,-4.91,;.23,-3.42,;1.32,-2.33,;2.81,-2.73,;3.21,-4.22,;.92,-.85,;1.83,.4,;.92,1.65,;1.32,3.13,;2.82,3.53,;3.21,5.02,;2.12,6.1,;.63,5.71,;-.46,6.8,;.23,4.22,;-.54,1.17,;-1.87,1.94,;-1.87,3.48,;-3.21,1.17,;-3.21,-.37,;-1.87,-1.14,;-.54,-.37,)|
N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(N)c(F)c2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-7.19,;2.12,-5.71,;.63,-5.31,;.23,-3.82,;1.32,-2.73,;2.81,-3.13,;3.21,-4.62,;.92,-1.24,;1.83,0,;.92,1.25,;1.32,2.74,;2.82,3.14,;3.21,4.62,;2.12,5.71,;2.52,7.19,;.63,5.31,;-.46,6.4,;.23,3.82,;-.54,.77,;-1.87,1.54,;-1.87,3.08,;-3.21,.77,;-3.21,-.77,;-1.87,-1.54,;-.54,-.77,)|
N[C@H]1CC[C@H](CC1)n1cc(-c2ccc3OCOc3c2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-7.5,;2.12,-6.01,;.63,-5.61,;.23,-4.12,;1.32,-3.03,;2.81,-3.43,;3.21,-4.92,;.92,-1.55,;1.83,-.3,;.92,.95,;1.32,2.43,;2.82,2.83,;3.21,4.32,;2.12,5.4,;2.2,6.94,;.76,7.5,;-.21,6.3,;.63,5.01,;.23,3.52,;-.54,.47,;-1.87,1.24,;-1.87,2.78,;-3.21,.47,;-3.21,-1.07,;-1.87,-1.84,;-.54,-1.07,)|
N[C@H]1CC[C@H](CC1)n1cc(-c2cccc(Cl)c2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-6.8,;2.12,-5.31,;.63,-4.91,;.23,-3.42,;1.32,-2.33,;2.81,-2.73,;3.21,-4.22,;.92,-.85,;1.83,.4,;.92,1.65,;1.32,3.13,;2.82,3.53,;3.21,5.02,;2.12,6.1,;.63,5.71,;-.46,6.8,;.23,4.22,;-.54,1.17,;-1.87,1.94,;-1.87,3.48,;-3.21,1.17,;-3.21,-.37,;-1.87,-1.14,;-.54,-.37,)|
N[C@H]1CC[C@H](CC1)n1cc(-c2ccccc2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-6.45,;2.12,-4.96,;.63,-4.56,;.23,-3.08,;1.32,-1.99,;2.81,-2.39,;3.21,-3.87,;.92,-.5,;1.83,.75,;.92,1.99,;1.32,3.48,;.23,4.57,;.63,6.05,;2.12,6.45,;3.21,5.37,;2.82,3.88,;-.54,1.52,;-1.87,2.29,;-1.87,3.83,;-3.21,1.52,;-3.21,-.02,;-1.87,-.79,;-.54,-.02,)|
Cc1ccc(cc1)-c1cn([C@@H]2CC[C@H](N)CC2)c2ncnc(N)c12 |r,wU:10.10,13.14,(2.52,7.19,;2.12,5.71,;.63,5.31,;.23,3.83,;1.32,2.74,;2.82,3.14,;3.21,4.62,;.92,1.25,;1.83,0,;.92,-1.24,;1.32,-2.73,;.23,-3.82,;.63,-5.31,;2.12,-5.71,;2.52,-7.19,;3.21,-4.62,;2.81,-3.13,;-.54,-.77,;-1.87,-1.54,;-3.21,-.77,;-3.21,.77,;-1.87,1.54,;-1.87,3.08,;-.54,.77,)|
Cc1cccc(c1)-c1cn([C@@H]2CC[C@H](N)CC2)c2ncnc(N)c12 |r,wU:10.10,13.14,(3.95,5.77,;2.46,5.37,;1.38,6.45,;-.11,6.05,;-.51,4.57,;.58,3.48,;2.07,3.88,;.18,1.99,;1.09,.75,;.18,-.5,;.58,-1.99,;-.51,-3.08,;-.11,-4.56,;1.38,-4.96,;1.78,-6.45,;2.47,-3.87,;2.07,-2.39,;-1.28,-.02,;-2.62,-.79,;-3.95,-.02,;-3.95,1.52,;-2.62,2.29,;-2.62,3.83,;-1.28,1.52,)|
Cc1ccccc1-c1cn([C@@H]2CC[C@H](N)CC2)c2ncnc(N)c12 |r,wU:10.10,13.14,(3.56,2.79,;2.47,3.88,;2.86,5.37,;1.77,6.45,;.28,6.05,;-.11,4.57,;.97,3.48,;.58,1.99,;1.48,.75,;.58,-.5,;.97,-1.99,;-.11,-3.08,;.28,-4.56,;1.77,-4.96,;2.17,-6.45,;2.86,-3.87,;2.46,-2.39,;-.89,-.02,;-2.22,-.79,;-3.56,-.02,;-3.56,1.52,;-2.22,2.29,;-2.22,3.83,;-.89,1.52,)|
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)CNC(=O)c1ccncc1
Cc1ccc(-c2cn([C@@H]3CC[C@H](N)CC3)c3ncnc(N)c23)c(F)c1 |r,wU:8.7,11.11,(2.17,7.19,;1.77,5.71,;.28,5.31,;-.11,3.82,;.97,2.74,;.58,1.25,;1.48,0,;.58,-1.24,;.97,-2.73,;-.11,-3.82,;.28,-5.31,;1.77,-5.71,;2.17,-7.19,;2.86,-4.62,;2.46,-3.13,;-.89,-.77,;-2.22,-1.54,;-3.56,-.77,;-3.56,.77,;-2.22,1.54,;-2.22,3.08,;-.89,.77,;2.47,3.14,;3.56,2.05,;2.86,4.62,)|
c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-n1cnc2cc(ccc12)-c1cnn(C)c1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=C)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1 |r|
Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
[O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
C1COCCNc2cc(ccn2)-c2cnn3ccc(N1)nc23
Cc1ccc(cc1NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1nccn1C
NC(=N)NCCCC1NC(=O)\C(NC1=O)=C\c1c[nH]c2cc(Br)ccc12
COCC[n+]1c(C)n(Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O
COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1
Cc1ccc2oc(-c3cn([C@H]4CC[C@@H](N)CC4)c4ncnc(N)c34)cc2c1
C[C@H](NC(=O)c1cn(C)c2ccc(cc12)-c1ccn2nc(NC(=O)C3CC3)nc2c1)c1cccc(F)c1 |r|
CNC(=O)c1ncn2cc(ncc12)-c1c(F)ccc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F
c1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1
Cc1ccsc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2s1
CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc4c(Nc5ccc6scnc6c5)ncnc4s3)cn2)CC1
c1nc(Nc2ccc3scnc3c2)c2cc(-c3cnn(C4CCNCC4)c3)sc2n1
Cn1cc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cn1
OCc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)o1
c1nc(Nc2ccc3scnc3c2)c2cc(-c3ccc4[nH]cnc4c3)sc2n1
c1nc(Nc2ccc3scnc3c2)c2cc(-c3cc[nH]n3)sc2n1
Cc1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)n1
c1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)n1
Cn1cncc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2s1
Cc1ncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)n1C
COc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1
COc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c(C)c1
Fc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cc1
Fc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1
COc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cn1
Fc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c(F)c1
Cn1nccc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2s1
COc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cc1F
Cc1nc(C)n(C)c1-c1cc2c(Nc3ccc4scnc4c3)ncnc2s1
OCc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1
c1ncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@@H](O)C3)OC(C)(C)C4)n2)cn1
c1cc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)ccn1
Cc1ccc(-c2nn(C(C)(C)CN(C)C)c3ncnc(N)c23)cc1
c1cc2cc(n1)NCCOCCNc1ccc3ncc-2n3n1
Clc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1-c1cccs1
Cc1ncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)s1
Cn1cccc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl
Cn1ccnc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl
Cn1cnc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)c1
Cn1cc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)cn1
Cn1cncc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl
Cc1ncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)n1C
Cn1nccc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl
Cn1nc(C(F)(F)F)cc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl
Cc1ccsc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl
Clc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1-c1cc[nH]n1
COc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)n1
Cc1cscc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl
CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)ncs4
c1csc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)c1
Cc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)s1
Cn1cccc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
Cn1ccnc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
Cn1cnc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)c1
Cc1csc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1
Cn1cc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)cn1
Cn1cncc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
Cc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1C
Cc1nc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)sc1C
Cc1ccsc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
c1nc(Nc2ccc3scnc3c2)c2cc(-c3cc[nH]n3)ccc2n1
COc1cccc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1
c1ccc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)cc1
Cc1cscc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
OCc1cccc(-c2cc3ncnc(Nc4ccc5scnc5c4)c3cc2-c2cccs2)c1
Cn1cccc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1-c1cccc(CO)c1
Cc1ccsc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1-c1cccc(CO)c1
OCc1ccc(-c2cc3ncnc(Nc4ccc5scnc5c4)c3cc2-c2cccs2)o1
C1=C(c2cc3ncnc(Nc4ccc5scnc5c4)c3cc2-c2cccs2)COC1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC