362 SMILES Strings for Complement C1s subcomponent

Compound Name
SMILES String
O=C(Oc1ccc(cc1)-n1cnnn1)c1ccco1
Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
CC(C)(C)NC(=O)C(N(Cc1ccc2OCOc2c1)C(=O)Cn1nnc2ccccc12)c1ccco1
Clc1ccc(N2CCOCC2)c(NC(=O)c2cnccn2)c1
[H]C12OC3(CN(C(C)CC)C(=O)C3C1C(=O)OCc1ccccc1)C=C2 |c:27|
O=C(Cc1ccc(cc1)-c1ccccc1)NCCN1CCOCC1
O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1
CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1
COc1ccc(Cl)cc1NC(=O)CCN1CCN(CC1)c1ccccc1C
CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1
Cc1nn(C)c(C)c1NC(=O)c1ccnn1C
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccco1
[H]C12CC3([H])CC([H])(C1)CCC(C2)(C3)C(=O)N1CCOCC1 |TLB:5:3:12:6.8.10.9,14:11:2:6.8.5,THB:5:6:12:3.13.2,10:11:2:6.8.5,9:6:11.12.13:2|
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)NCc1cccs1
OC(=O)COCc1nc2ccccc2[nH]1
COC(=O)c1ccc(OC(=O)c2ccco2)cc1
COC(=O)Cc1n[nH]c2OC(=N)C(C#N)C3(C(=O)N(Cc4ccccc4)c4ccccc34)c12
CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1
CNC=C1C(=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 |w:2.1|
COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCn1nnc2ccccc12
CN(C)c1ccc(C(=O)c2ccccc2C(O)=O)c(O)c1
CCC(C(CC)c1ccc(OC(=O)CC)cc1)c1ccc(OC(=O)CC)cc1
OC(=O)CCCC(=O)Nc1ccccc1C(O)=O
Oc1ccc(cc1)\N=C1/SCC(=O)N1c1ccc(O)cc1
O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12
COc1ccccc1\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccccc1OCC |c:8|
COc1cccc(NC(=O)CCP(C)(O)=O)c1
COc1ccc(NC(=O)CSC2=NC3=C(C(C2C#N)c2ccco2)C(=O)CCC3)c(OC)c1 |c:13,t:11|
O=c1cc(nc2nc([nH]n12)-c1ccccc1)-c1ccccc1
CN(C)CCN1C(C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)C(=O)C1=O)c1ccncc1
CCOc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)c1ccccn1
COc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1
CCn1c2ccccc2nc(C(C)=O)c1=O
COc1cc(OC)cc(c1)C(=O)Nc1ncc2C(=O)CC(C)Cc2n1
CCc1ccc(cc1)-c1cn(-c2nc(C)cc(C)n2)c(=N)o1
Cn1c(=O)n(-c2ccccc2)c2nc(NCC3CCCO3)[nH]c2c1=O
O=C(Nc1nc(cs1)-c1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1nccs1
CC1CNC(S1)=Nc1cccc2ccccc12 |w:6.7|
O=C(NC1=NCCS1)c1cccc(c1)S(=O)(=O)N1CCCCC1 |t:3|
CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(C)cc1
Cc1c(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C
Cc1csc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)n1
O=C(Nc1nc(cs1)-c1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCCC1
COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)o1
COc1ccc(cc1OC)C(=O)OCn1nnc2ccccc2c1=O
CCN1CCN(CC1)C=Nc1nc2CCCCc2s1 |w:9.10|
Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1
CN(C)S(=O)(=O)c1cccc(c1)C(=O)N(c1nc(C)cs1)c1ccccc1
Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)n(n1)-c1ccccn1
COCCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C
O=C(NCc1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
CCOC(=O)c1sc(NC(=O)c2cc(ccc2C)S(=O)(=O)N2CCOCC2)nc1C
Cc1csc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)n1
Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
COc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccccc2C)cc1
COc1ccc(CNC(=O)c2cc(on2)-c2ccc(OC)c(OC)c2)cc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)N(Cc1nc(no1)-c1ccc(C)cc1)C(C)C |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
CCOc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OCC
Cc1nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cs1
CCOC(=O)COc1nc(OC)nc(n1)N1CCOCC1
CCc1ccccc1N(C1CS(=O)(=O)C=C1)C(=O)c1cccs1 |c:15|
CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
O=C(NCCc1ccccc1)c1noc-2c1CCc1ccccc-21
CC1(C)COCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(Cl)s1
CCOC(=O)c1nnn(c1CN(C)C1CCCCC1)-c1nonc1N
CC(C)c1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
COc1cccc(c1)C1=Nc2nnnn2C(C1)c1cccc(OC)c1OC |t:9|
COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccc(OC)c(OC)c1
CCCS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(Cc2ccccc2)CC1
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4OCOc4c3)CC2)cc1
C1Sc2nnc(-c3cccnc3)n2N=C1c1cccs1 |c:15|
CCC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
Cc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCc1cccnc1
CC(C)NC(=O)c1cc(on1)-c1ccc(Br)cc1
CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
Cc1ccc(CCNC(=O)C2CCC(=O)N2Cc2cccnc2)cc1
CCN1CCN(CC1)c1ccc(cc1)-n1c(C)nc2n(ncc2c1=O)-c1ccccc1Cl
NC(=O)C1(CCN(CC1)C(=O)Nc1ccccc1C(F)(F)F)N1CCCCC1
Cc1ccc(cc1)-n1c(SCC(=O)N2CCCC2)nc2CCSc2c1=O
COc1ccc(NC(=O)CSC2CCCCC2)cc1
COc1ccc(NC(=O)c2cccs2)cc1OC
COCCCNC(CC(=O)Nc1ccccc1C(=O)OC)C(O)=O
COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1
Oc1ccc(O)n1-c1cc(Cl)ccc1OC(=O)c1ccco1 |(13.56,1.55,;12.1,2.03,;11.62,3.49,;10.08,3.49,;9.61,2.03,;8.14,1.55,;10.85,1.13,;10.85,-.41,;12.19,-1.18,;12.19,-2.72,;13.52,-3.49,;10.85,-3.49,;9.52,-2.72,;9.52,-1.18,;8.18,-.41,;6.85,-1.18,;6.85,-2.72,;5.52,-.41,;5.36,1.12,;3.85,1.44,;3.08,.1,;4.11,-1.04,)|
Cc1sc2nc(oc(=O)c2c1C)-c1ccco1
CCSc1ccccc1C(=O)n1nnc2ccccc12
CCCc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O |(6.2,5.73,;7.53,4.96,;7.53,3.42,;8.87,2.65,;10.2,3.42,;11.53,2.65,;12.91,3.47,;14.3,2.68,;14.3,1.08,;12.91,.29,;11.53,1.11,;10.2,.34,;10.2,-1.2,;8.87,1.11,;7.53,.34,;6.12,.97,;5.8,2.47,;5.09,-.18,;3.56,-.02,;5.86,-1.51,;5.24,-2.92,;3.71,-3.08,;3.08,-4.49,;3.99,-5.73,;5.52,-5.57,;6.14,-4.16,;7.37,-1.19,;8.52,-2.22,)|
CC(=O)c1cc2OCOc2cc1NC(=O)C1CC=CCC1C(O)=O |c:19|
CCOc1ccc(cc1)-n1c(O)cc(N2CCN(CC2)c2ccccc2F)c1O
CCOC(=O)C1CCN(CC1)C(=O)c1cc(OCC)c(OCC)c(OCC)c1
CC(=O)c1cn(CC(=O)NCc2ccc3OCOc3c2)c2ccccc12
COc1cccc(c1)N1C2CS(=O)(=O)CC2N(C1=O)c1ccccc1Cl
COc1ccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)c(OC)c1
O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Oc1cccc(c1)C(=S)N1CCN(Cc2ccccc2)CC1
CCCCC(=O)Nc1ccc(NC(=O)c2ccc3OCOc3c2)cc1OC
CSc1nc(nn1C(=O)c1cccs1)-c1ccco1
O=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCCCC3)C12 |c:19,t:5|
O=C(NC1CCCC1)c1cccc(c1)S(=O)(=O)N1CCCCC1
COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
COC(=O)COc1cccc(NC(=O)c2ccccc2)c1
CCOC(=O)C1CCN(CC1)C(=O)CSc1ccccc1
Cc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)C2CC2)no1
CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12
CCOC(=O)c1c(NC(=O)CN2CCN(CC)CC2)scc1-c1ccc(C)o1
CCC(=O)n1nc(nc1SCc1ccccc1)-c1ccco1
Cc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)N2CCOCC2)cc1C
Clc1ccc(NC(=O)c2ccc3OCOc3c2)cc1
O=C(c1csc2ccccc12)n1cccn1
COc1ccc(cc1)-c1nc(SC)n(n1)C(=O)c1ccco1
O=C(c1csc2CCCCc12)n1cccn1
CCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12
O=C(NC1CCS(=O)(=O)C1)c1cccc(c1)S(=O)(=O)N1CCCCC1
C(Oc1ccccc1)c1nnc2sc(Cc3ccccc3)nn12
[O-][n+]1c(-c2ccco2)c(=O)n(OCc2ccccn2)c2ccccc12
CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1
Cc1cc(C)c2c(CC(=O)NCc3ccco3)coc2c1
Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2C)cc1
Fc1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1
CC(=O)NC(=O)NC1CSCC1OC(C)=O
CCCCn1c(n[nH]c1=S)-c1cc(Cl)ccc1OC
Cc1ccc(cc1)-c1cc(no1)C(=O)NCc1ccccn1
O=C(N1C(=O)c2cccc3cccc1c23)c1ccco1
Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12
COc1ccc(cc1Br)C(=O)n1nnc2ccccc12
CCn1c(CCn2ccnc2C)n[nH]c1=S
COc1ccccc1CN1CCCCC1c1cccnc1
CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nccs1
COc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1
CC(C)NS(=O)(=O)c1cc(ccc1Cl)C(O)=O
CCc1c(C)scc1C(=O)NCc1cnn(C)c1
CC(C)(C)c1cc(ccn1)C(=O)NCc1ccccc1
CCOC(=O)COc1ccc(cc1)S(=O)(=O)NCCC1=CCCCC1 |t:20|
COc1ccc(cc1C(=O)Nc1nc2ccccc2s1)S(=O)(=O)N1CCOCC1
O=C(NCc1ccco1)c1cccc(c1)S(=O)(=O)N1CCCCC1
COc1ccc(cc1Br)C(=O)n1ccc(C)n1
Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NCc1ccccc1Cl
CN(CCNC(=O)Cn1c2ccccc2sc1=O)Cc1ccccc1
CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1
Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1
CSc1nc(nn1C(=O)c1ccco1)-c1ccco1
Cc1nc(C)c(o1)C(=O)Nc1cccc(C)c1C
CCc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccccc1Cl
CCOc1ccc(cc1)C1CC(c2cccc(Cl)c2)n2nc(N)nc2N1
O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCc2ccccc12)N1CCCCC1
OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
CCCC(=O)n1nc(nc1SCc1ccccc1)-c1ccco1
CC1CCCN(C1)C(C(=O)Nc1ccc2OCOc2c1)c1ccccc1
COc1ccc2-c3onc(C(=O)NCc4ccc(F)cc4)c3CCc2c1
COc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCCN(C)C
Nc1nc(nn1C(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
CC(C)c1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
COc1ccc(Nc2cc(C)nc3nc(C)nn23)c(OC)c1
COc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1
CCCCn1c(=O)cc([nH]c1=O)N1CCOCC1
Cc1nc2sc(C(N3CCN(Cc4ccccc4)CC3)c3cccs3)c(O)n2n1
O=[#6]1-[#6]-[#6]-[#6]-[#6](=O)\[#6]-1=[#6]\[#7]-[#6]-[#6]-c1ccccc1
Cc1coc2c(C)c3oc(=O)c4CCCCc4c3cc12
O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(Nc1ccccn1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Cc1csc(NC(=O)c2ccco2)n1
O=c1oc(nc2ccccc12)-c1ccco1
CC1(C)N(O)C(N=C1c1ccccc1)c1cccnc1 |c:6|
CCCCN1C(=O)\C(=C2/SC(=NC2=O)N2CCCCC2)c2ccccc12 |c:10|
Nc1c(cnn1CC1CCCCC1)C#N
CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
O=C(CN1CCN(CC(=O)Nc2ccccn2)CC1)Nc1ccccn1
CCOC(=O)c1ccc(CSc2nncn2N)o1
Cc1nc2scc(-c3cccs3)c2c(=O)o1
Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
O=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1
Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc23)s1
COc1ccccc1CNC(=O)C1COc2ccccc2O1
CC(=O)Nc1ccc(NC(C)=O)s1
O=C(c1ccc2OCOc2c1)n1nnc2ccccc12
COc1ccccc1Nc1nc(cs1)-c1cccs1
COc1ccc(cc1OC)C(=O)SC1=NCCS1 |t:14|
Cc1nc(NC(N)=N)nc2ccccc12
[H]/N=C(/N)\Nc1ccccc1
NC(=N)NC1=Nc2ccccc2NC1 |t:4|
NC(=N)NCC([O-])=O
[#7]\[#7]=[#6](\[#7])-[#7]
CC(C)(C)CNC(N)=N
NC(=N)c1ccc(cc1)[N+]([O-])=O
c1ccc(cc1)C(=[NH2+])N
Oc1ccc(CC(NC(=O)c2ccccc2)C([O-])=O)cc1
Oc1ccc(CC(NC(=O)CCl)C([O-])=O)cc1
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCn2cnnn2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1 |r|
CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
N=C(N)c4ccc(CNC(=O)[C@H](CCC1CCNCC1)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc3ccccc3)cc4
CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
N=C(N)c4ccc(CNC(=O)[C@H](CCC1CCNCC1)NC(=O)[C@@H](CCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc3ccccc3)cc4
COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3)C(C)C |r|
CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC[C@H](C)NC(=O)[C@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r|
NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1
CSc1sc(cc1S(=O)(=NS(=O)(=O)c1cccc(NC(N)=O)c1)c1cccc(c1)-c1c(C)cc(NC(N)=N)cc1N)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1cccc(C=O)c1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1)C(N)=N
CC(C)[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CC=CC1C(=O)NCc1ccc(s1)C(N)=N |r,c:21|
[#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cccc(C)c1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cnccc1Cl)C(N)=N
COc1ccc(cc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
CCCc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
CS(=O)(=O)c1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
CCSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cnn(C)c1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccccc1C)C(N)=N
CCCc1c(cnn1C)-c1csc(n1)-c1cc(sc1SC)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)c(c1)[N+]([O-])=O)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccc2ccccc2c1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cccnc1Cl)C(N)=N
CSc1sc(cc1-c1ncc(s1)-c1ccccc1)C(N)=N
NC(=N)c1cc(c(SCc2ccccc2)s1)-c1nc(cs1)-c1ccccc1
CSc1sc(cc1-c1nc(cs1)-c1cccs1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cnn(c1)-c1ccccc1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1Cl)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cnn(c1OCCC(C)C)-c1ccccc1)C(N)=N
CSc1sc(cc1-c1nc(COc2ccccc2)cs1)C(N)=N
COc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Cc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
CCCc1nn(C)cc1-c1csc(n1)-c1cc(sc1SC)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccc(C)cc1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)C(N)=N
CSc1sc(cc1-c1nc(Cc2ccccc2)cs1)C(N)=N
NC(=N)c1cc(cs1)-c1nc(cs1)-c1ccccc1
CSc1sc(cc1-c1nc(cs1)-c1csc2ccccc12)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cnn(c1OCC1CCC1)-c1ccccc1)C(N)=N
NC(=N)c1cc(-c2nc(cs2)-c2ccccc2)c(s1)C(F)(F)F
CSc1sc(cc1-c1nc(cs1)C1CCCCC1)C(N)=N
COc1ccc(-c2csc(n2)-c2cc(sc2SC)C(N)=N)c(OC)c1
CCc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
COc1ccccc1-c1csc(n1)-c1cc(sc1SC)C(N)=N
CCOc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
[#6]-[#16]-c1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1)-[#6](-[#7])=[#7]
CSc1sc(cc1S(=O)(=O)c1ccc2n(Cc3ccccn3)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)C(C)C)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(cnc2c1)[C@@H](C)c1ccccc1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1ccccn1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3c(Cl)cccc3Cl)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)Cc1ccccc1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3c(F)cccc3F)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(C)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccs1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(Cc3c(Cl)cccc3Cl)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1ccccc1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(C)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1ccc2ccccc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2nc[nH]c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(Cc3cc(F)ccc3F)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3cc(F)ccc3F)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(cnc2c1)[C@H](C)c1ccccc1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3cc(ccc3F)[N+]([O-])=O)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3ccccc3)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Cl)c2n(Cc3c(F)cccc3F)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(Cc3cc(ccc3F)[N+]([O-])=O)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1ccc2ncn(Cc3ccccc3)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1nccn1C)C(N)=N
[#6]-[#16]-c1sc(cc1S(=O)(=O)c1cc(Br)c2n(-[#6]\[#6]=[#6](/[#6])-[#6])cnc2c1)-[#6](-[#7])=[#7]
CSc1sc(cc1S(=O)(=O)c1ccc2n(Cc3ccccc3)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1ccoc1C)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(CC=C)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(CC=C)cnc2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(cnc2c1)-c1ccccc1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Cl)c2ncn(Cc3c(F)cccc3F)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(Cc3ccccc3)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(-c3ccccc3)c2c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(Cc3c(F)cccc3F)c2c1)C(N)=N
CCCc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc2c(N)nccc2c1
Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc2c(N)nncc2c1
Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc2cnncc2c1
Nc1nncc2cc(ccc12)N1CCN(CC1)C(=O)c1ccccc1
Nc1nncc2cc(ccc12)N1CCN(CC1)c1ccccc1
Nc1nncc2cc(ccc12)N1CCC(CC1)c1ccccc1
Nc1nncc2cc(ccc12)C1CCN(CC1)c1ccccc1
Cc1ccccc1N1CCN(CC1)c1ccc2c(N)nncc2c1
Cc1cccc(c1)N1CCN(CC1)c1ccc2c(N)nncc2c1
Cc1ccc(cc1)N1CCN(CC1)c1ccc2c(N)nncc2c1
Nc1nncc2cc(ccc12)N1CCN(CC1)c1cccc(F)c1
Nc1nncc2cc(ccc12)N1CCN(CC1)c1cccc(Cl)c1
COc1cccc(c1)N1CCN(CC1)c1ccc2c(N)nncc2c1
Nc1nncc2cc(ccc12)N1CCN(CC1)c1cccc(c1)C#N
C[C@@H]1CN(CCN1c1cccc(F)c1)c1ccc2c(N)nncc2c1 |r|
C[C@H]1CN(CCN1c1cccc(F)c1)c1ccc2c(N)nncc2c1 |r|
Cc1cc(no1)[C@H]1CN(CCN1c1cccc(F)c1)c1ccc2c(N)nncc2c1
Cc1cc(no1)[C@H]1CN(CCN1c1cccc(F)c1)c1cc(F)c2c(N)nncc2c1 |r|
Cc1cc(no1)[C@@H]1CN(CCN1c1cccc(F)c1)c1cc(F)c2c(N)nncc2c1 |r|
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)NCCCCCC(O)=O)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1C(O)=O)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1CO)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccc(O)cc1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)CCCS(C)(=O)=O)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1CO)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1C=C)C(N)=N
COc1cccc(c1)-c1cccc(c1)S(=O)(=O)c1cc(sc1SC)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1cccc(O)c1)C(N)=N
COc1ccccc1-c1cccc(c1)S(=O)(=O)c1cc(sc1SC)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1O)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1C)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1N)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(Br)c1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)NCCc1nnn[nH]1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1Cl)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccc(C)cc1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)CS(C)(=O)=O)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1cccc(C)n1)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1cccc(C)c1)C(N)=N
COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)c1cc(sc1SC)C(N)=N
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)CCCCC(O)=O)C(N)=N
Ic1ccccc1-c1nc2ccccc2c(=O)o1
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)|
NC(=N)c1cccc(CO)c1
Cc1ccccc1C(N)=N
Cl.NC(=[NH2+])c1cccc(c1)[N+]([O-])=O
NC(=N)c1cccc(c1)C(O)=O
NC(=N)c1cccc(Cc2ccccc2)c1
c1ccc(cc1)C(=N)N
Cl.NC(=N)c1cccc(N)c1
NC(=N)c1cccc(c1)-c1ccccc1
CN(C)c1cccc(c1)C(N)=N
COc1cccc(c1)C(N)=N
Cc1ccc(cc1C)C(N)=N
NC(=N)c1cccc(Br)c1
Cc1cc(C)cc(c1)C(N)=N
NC(=N)c1ccc(CC(=O)C(O)=O)cc1
NC(=N)c1cccc(OCCCOc2ccccc2)c1
CCOc1ccc(cc1)C(N)=N
[H]/N=C(/c1ccc(cc1)OC)\N
NC(=N)c1cccc(CC(=O)C(O)=O)c1