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N#Cc1c(Cl)cccc1OCc1ccccc1
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O=C1Nc2ccc(-c3ccc4c(c3)OCO4)cc2C(=O)N2CCN(C(=O)CO)C[C@H]12
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C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc(C#N)cc1
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N#Cc1ccc(Sc2csc(C(=O)[O-])c2)c(F)c1
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CC/[NH+]=C(/NCc1ccc(C#N)cc1)N[C@@H]1CCN(c2ccccc2)C1
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Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1F
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COc1ccc(-c2ccc3c(ccn3CC(=O)Nc3cnn(C)n3)c2)cc1
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CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1
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O=C1N[C@H](c2cccc(-c3ccccc3)c2)N2CCOC[C@H]12
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CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc21
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C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1
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F/C=C/[C@H]1C=CC=CC1(F)F
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Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C)cc2)c1
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N#Cc1ccc(CSc2ccc(N)nc2)cc1
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CN(Cc1ccc(C(=O)NC2CC2)cc1)c1cccc(F)c1C#N
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CCN(Cc1ccccc1C#N)[C@H](C)c1ccc(C#N)cc1
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N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2
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COc1ccccc1CNc1ccccc1C#N
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CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C#N)cc2)NC(=S)N1
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N#Cc1ccc(/C=C/C[NH+]2CCC(n3cncn3)CC2)cc1
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COC(=O)[C@@H](NCC(C)(C)SC)c1cccc(C#N)c1
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CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1ccccn1
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[
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Cc1ccc(Cc2nnc(NC(=O)c3ccc(C#N)cc3)o2)cc1C
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[
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N#Cc1cccc(OCCC[NH+]2CCCC2)c1
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[
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Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
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[
0,
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0,
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CCOC(=O)c1nn(CC)c2c1CN(C(=O)C1=CC3=CC=N[C@@H]3C=C1)CC2
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Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc12
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[
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CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F
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[
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CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
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[
0,
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N#Cc1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1
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[
0,
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CCOCCO[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1
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CCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC(C)C)C1
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N#Cc1ccccc1NC(=O)CSc1ccccc1N
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Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2F)c1
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[
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CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2
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[
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C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F
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C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1
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CCn1c2ccccc2c2cc(/C=C/C([O-])=N/S(C)(=O)=O)ccc21
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[
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O=c1[nH]c2ccc(S(=O)(=O)NC3CC3)cc2c2ccccc12
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[
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1
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CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1
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[
0,
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CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)c1
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COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)C(C)(C)C)ccc12
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O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F
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CCN(CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1
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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1
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C[C@@H](Oc1ccc(C#N)cc1)C(=O)n1ncc(C#N)c1N
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N#Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@@]3(CO)O2)cc1
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C[NH+]1CCN(c2ccc(C#N)c(N)c2)c2ccccc21
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N#Cc1c(F)cccc1NCc1ccc(N2CCC(O)CC2)c(F)c1
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[
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C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@H]1CCCc2ccc(F)cc21
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COC(=O)c1sc2nc(C)nc(N[C@H](C)c3ccc(C#N)cc3)c2c1C
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CCOC[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1
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CCC[C@H]([NH3+])c1ccn(Cc2ccc(C#N)cc2F)c1
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C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccs1
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CCc1cc(C[NH+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)on1
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[
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CC(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
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[
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OCc1ccccc1-c1ccc2c(c1)C[NH2+]CC2
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N#Cc1ccc(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1Cl
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CC[C@@H](C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O
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CCc1ocnc1C(=O)N(C)C1c2ccccc2-c2ccccc21
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CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1
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N#Cc1ccc(CNC(=O)[C@H](O)c2ccccc2)cc1
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Oc1ccccc1/C=N\n1c2ccccc2c2ccccc21
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CCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@@H]1c1ccc(C#N)cc1
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COCc1cccc(NCc2cccc(C#N)c2)c1
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O=C(NCC1CC1)C1CCN(S(=O)(=O)[C@H]2C=C[C@H]([C@@H]3C=CN=N3)O2)CC1
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N#Cc1ccc(CNC(=O)CCOC2CCOCC2)cc1
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[
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COc1ccc(S(=O)(=O)Oc2cccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)c2)cc1
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[
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CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C
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C[C@H]1CCc2ccccc2N1Cc1cc(C#N)ccc1F
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N#Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
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[
0,
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1,
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0,
0
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CN(Cc1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-]
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[
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CCOc1cccc(-c2ccc(C)c(N)c2)c1
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[
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1
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O=CN[C@@H](NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl
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[
0,
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1,
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CC(C)(C(=O)NCc1cn(-c2ccccc2)nn1)c1cccc(C#N)c1
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C[C@H](O)Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C
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CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1ccccc1C#N
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[
0,
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CC(=O)N1CCOc2cc(S(=O)(=O)Nc3ccccc3C)c(C)cc21
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Cc1cc(NC(=O)CCCOc2ccccc2)ccc1S(N)(=O)=O
|
[
0,
1,
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0,
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O=C(NC[C@H](CCO)c1ccccc1)c1ccc(-c2ccccc2)cc1
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CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2F)C1
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Cc1noc(C)c1C[C@H](C)C(=O)N[C@@H](C)C1CCCCC1
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Cc1cc([C@H](C)N=O)cc2c1sc1ccccc12
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N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
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COc1ccc2oc(=O)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc2c1
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O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Br)ccc2F)cc1
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[
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Cc1ccc(C(=O)CCC(=O)Oc2ccc(C#N)cc2Cl)cc1
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[
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O=S(=O)([O-])c1ccc(N/N=C/c2ccccc2O)cc1
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[
1,
0,
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0,
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0
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N#Cc1ccccc1OCCCS
|
[
0,
0,
1,
0,
0,
0
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N#Cc1c(F)cccc1Nc1nc(Cl)ncc1Br
|
[
0,
0,
1,
0,
0,
0
] |
CC[NH+](C)CCCOc1cccc(C#N)c1
|
[
0,
0,
1,
0,
0,
0
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N#Cc1ccc(Cl)c(NC(=O)[C@H]2COc3ccccc32)c1
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[
0,
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1,
0,
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COc1ccc(-c2cc3ccc(OS(=O)(=O)c4ccccc4)cc3oc2=O)cc1OC
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[
1,
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0,
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0
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C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1
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[
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0
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CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)s1
|
[
0,
0,
1,
0,
0,
0
] |
COc1cc(C#N)ccc1OCC[S@](=O)[C@H](C)c1ccc(Cl)cc1
|
[
0,
0,
1,
0,
0,
0
] |
CC(C)C(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)[O-]
|
[
0,
1,
0,
0,
0,
0
] |
COc1cccc(CNc2ccc(N)cc2C#N)c1
|
[
0,
0,
1,
0,
0,
0
] |
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)s1
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[
0,
0,
1,
0,
0,
0
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Cc1cccc(OC[C@H](O)C[NH2+]Cc2cccc(C#N)c2)c1
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[
0,
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1,
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0,
0
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