BrCC(Br)C1CCC(Br)C(Br)C1	0
CCCCN(C)C1=CC(=C(C=N1)C#N)C(F)(F)F	0
CC[C@@]12CC[C@@](O)(C[C@H]1CCC1=CC(O)=CC=C21)C#CC	0
O=C1[C@H]2C3CC(C=C3)[C@H]2C(=O)N1C1=CC=C2C=CC=NC2=C1	0
CC(=O)O[C@@]1(CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O	0
C[C@H]1NC2=CC3=C(C=C2C1(C)C)C(=CC(=O)N3C)C(F)(F)F	0
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CC1=CC(=O)NC2=CC=C3C(COC4=CC=CC(CO)=C34)=C12	0
O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1	0
C=C1C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	0
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CC12CCC(C)(O1)[C@@H]1[C@H]2C(=O)N(C1=O)C1=C(N)C=CC2=NC=CN12	0
CC12CCC(C)(O1)[C@@H]1[C@H]2C(=O)N(C1=O)C1=C(N)C=CC2=[NH+]C=CN12	1
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FC(F)(F)C1=CC(SCC2CC2)=CC=C1C#N	0
CC1(C)C=CC2=CC3C(C(F)(F)F)=CC(=O)NC3C=C2[NH2+]1	1
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C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2C1=CN=CC=N1	0
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	0
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CC1=CC(C)(C)NC2=CC=C3C4=CC(F)=CC=C4O\C(=C/C4=CC=CO4)C3=C12	0
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CN1C(=O)CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C12	0
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@@]12C)C1=CC=C(C=C1)N(C)C	0
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CC1=CC(C)(C)NC2=CC=C3C4=CC=CC=C4OC(C4=CC=CC(Cl)=C4)C3=C12	0
CCN(CC)C1=CC=C(/C=C2\C(=O)ON=C2C)C=C1	0
FC(F)(F)C1=CC(=O)NC2=CC=C3C(OCC4=CC=CC=C34)=C12	0
CN1C=C(C=C1C(=O)N1CCCC1)N(CC1CCCCC1)C1=CC(C)=CC(C)=C1	0
CN1[C@@H]2CC[C@@H]3[C@@H]4C\C(=C/C5=CC=NC=C5)[C@@H](O)[C@]4(C)CC[C@H]3[C@]2(C)C=CC1=O	0
C[C@H]1NC2=CC3=C(C=C2[C@H]1C)C(=CC(=O)N3)C(F)(F)F	0
C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCC4=CC=C(OCCC(=O)[O-])C=C4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	-1
CCC1CCNC2=CC3=C(C=C12)C(=CC(=O)N3)C(F)(F)F	0
CC1(C)OC(=O)NC2=CC=C(C=C12)C1=CSC(=C1)C#N	0
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CON1C[C@]2(C)O[C@](C)(C1)[C@@H]1[C@H]2C(=O)N(C1=O)C1=CC=C(C#N)C(=C1)C(F)(F)F	0
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O	0
OC1=CC=CC2=C1C1=C(OC2=O)C2=C(NC(=O)C=C2C(F)(F)F)C=C1	0
[O-]C1=CC=CC2=C1C1=C(OC2=O)C2=C(NC(=O)C=C2C(F)(F)F)C=C1	-1
[O-]C1=C2C(=O)C=CC=C2OC(=C1)C1=CC=CC=C1	-1
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@@H]2O	0
FC(F)(F)C1=CC(SC2CCC2)=CC=C1C#N	0
CN1C(=O)CCC2(C)C3CCC4C(CC[C@@]44CCCO4)C3CC=C12	0
CC12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCCO1	0
CC1=CC(=C)C(CC2=CC=C(C=C2)N(=O)=O)C(C)(C)C1	0
FC(F)(F)CNC1=CC2OC(=O)C=C(C2C=C1)C(F)(F)F	0
COC1=CC=CC=C1SC1=CC=C(C#N)C(OC)=C1	0
C[NH+]1CC[C@@H](C1)N(CC1=CC=CC=C1C(F)(F)F)C1=CC=C(C#N)C(Cl)=C1	1
CN1C2CCC3C4CCC(C(=O)C5=CC=CN5)C4(C)CCC3C2(C)C=CC1=O	0
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CC1C(=O)C(C)(C)NC2=CC=C3C4=CC=CC=C4O/C(=C\C4=CC=CC(F)=C4)C3=C21	0
C[NH+](C)C1CC(NC2=CC=C(C=C12)N(=O)=O)C(C)(C)CO	1
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CN1C2CCC3C4CCC5(CCCO5)C4(C)CCC3C2(C)C=CC1=O	0
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CC1=CC=C(C=C1)C(=O)CC(NC1=CC=C(C=C1)N(=O)=O)C1=CC=CC=C1	0
COC1=CC(C[C@@H]2C(=C)CC[C@@H](Br)C2(C)C)=C(O)C=C1Br	0
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C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2C1=CN=CN=C1	0
CCCC1=C(C(=O)OC)C(C2=CC=C(F)C=C2Cl)C(C#N)=C(C)N1	0
CC(C)C(C)\C=C\C(C)C1CCC2\C(CCCC12C)=C\C=C1\C[C@@H](O)CCC1=C	0
CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12	0
C\C=C1\C(=O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	0
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12	0
CC1CCN(CC1)C1=CC(=C(C=N1)C#N)C(F)(F)F	0
CN1C(C#N)=CC=C1C1=CC=C(C(=O)C(C)(C)C)C=C1	0
CN1C(=CC=C1C1=CC=C2NC(=O)COC(C)(C3=CSC=C3)C2=C1)C#N	0
C\C=C1/C[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1O	0
CC1(C)OC(=S)[N-]C2=CC=C(C=C12)C1=CSC(=C1)C#N	-1
CC1=C(SC(=C1)C#N)C1=CC=C2NC(C)(C)C(=O)C(C)(C)C2=C1	0
CC12CCCN1C1=CC3=C(C=C1CC2)C(C(F)(F)F)=CC(=O)N3	0
O=C1[C@H]2C3CC(C=C3)[C@H]2C(=O)N1C1=CC=C2C=CC=CC2=C1	0
CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@]12C)C(C)=O	0
CC1=CC(C)(C)NC2=C(C)C3=C(C=C12)C(C(F)(F)F)=CC(=O)N3	0
CC1=CC(C)(C)NC2=CC=C3C(COC4=CC=C(C=C34)N(=O)=O)=C12	0
CN1C=C(C=C1C([O-])=O)N(CC1=CC=CC=C1)C1=CC=C(C=C1)N(=O)=O	-1
CC12CCC(C)(O1)[C@@H]1[C@H]2C(=O)N(C1=O)C1=CN=C(C#N)C(Cl)=C1	0
CN1C(=CC=C1C1=CC=C2NC(=O)COC(C)(C3=CC=CO3)C2=C1)C#N	0
CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2=O	0
CC1(C)OC(=O)NC2=CC=C(C=C12)C1=COC(=C1)C#N	0
O[C@@H]1CCN2[C@@H]1C(=O)N(C2=O)C1=C2N=CC=CC2=C(C=C1)C#N	0
C[C@@H]1CN([C@@H](C)CN1C(=O)NC1=CC=NC=C1)C1=CC=C(C#N)C(=C1)C(F)(F)F	0
COC1=C(C=CC2=C1C1=C(C(=O)O2)C2=C(NC(=O)C=C2C)C=C1)C(=O)OC(F)(F)F	0