smiles
stringlengths 11
112
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C[C@H]1C[C@@H]1NC(=O)CCC1=CC=C(F)C(C#N)=C1
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CC[C@H](C)C(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1
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C#CC(C)NC(=O)C12CC(C)(CN1C(=O)[C@@H](O)CCC)C2
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CC1=C(C(=O)N2CCOCC3(C2)CC3(F)F)C=CN1
|
CC(=O)OC/C=C/COC(=O)CC1=CC=C(Br)C(C)=C1
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CC1(C)CC(CNS(=O)(=O)C2=CC(C(F)F)=CN=C2)CO1
|
CO[C@H]1CCN(CC2=CC(SC)=NN2C)[C@@H](C)C1 |&1:2,15|
|
CNS(=O)(=O)CCCNC1=CC=C(C2CCCO2)C=N1
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COC1CCC(NC2=CC=CC(Cl)=C2S(N)(=O)=O)CC1
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CCN(CC1CCCO1)C(=O)NC1=C(Cl)C(C)=CC=C1Cl
|
COCCC(NS(=O)(=O)C1=C(C)C=C(Br)S1)C(C)C
|
C=C[C@H]1C[C@@H]1CN(C[C@H]1CC1(C)C)C(=O)CC(C)OC |&1:2,4|
|
CN(C)C1=CN=CC=C1C(=O)NC[C@@]1(C)CCCN1
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CCC(C)ONC(=O)C(=O)NCC(C)(F)CN
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CC(C)(C)C1=CN=C(NC(=O)[C@@H]2COC[C@H]2C(=O)O)S1 |&1:11,15|
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NCC1=CC=CC(NC(=O)C2=NN(C3CNC3)C=C2)=C1
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CCCN1C=C(C(=O)NCC(C)=C(Br)Br)N=N1
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CCC1=NNC=C1C1=C2C=CC=C(OC)C2=NC=C1
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CS(=O)(=O)N1CCC1C(=O)NCC1=CC=C(O)C=C1O
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C[C@@]1(C(N)=O)CCCN1CC1=CC(C#N)=CC(Cl)=C1
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NCC1CC(CC(=O)N2CCCC(C3=CC=CC=C3)C2)C1
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CNC1=C(C(=O)NC2=NN(C3CC3)C=C2)N=C(Br)S1
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CCOC(=O)CNC(=O)C1COC2=CC=C(C)C=C2C1
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CN1C(=O)O[C@H]2CN(C(=O)NCC3CCC(=O)N3)C[C@H]21 |&1:5,19|
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[N-]=[N+]=N[C@@H]1CON(C(=O)NCCN2C[C@H]3CCC[C@H]3C2)C1
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CC1=CC=C2C(Cl)=C(C(=O)OCC(=O)C(C)(C)F)SC2=C1
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N[C@H]1CCC[C@@H]1C(=O)N1CC(O)(C2CCC(=O)N2)C1
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CC1=CC(N[C@H]2C[C@H]3CCCC[C@H]32)=CC(Cl)=C1C#N |&1:5,7,12|
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COCCC(=O)NC1(C(=O)NCCC2=CC=CO2)CC1
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C=CCC1(C(=O)N2CC(O)(C3=CNN=N3)C2)CCCCC1
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CC1=CC=C(C(NCC2CCCNC2)C(C)(C)C)O1
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N[C@H]1[C@H](C(=O)N2CC(O)(CF)C2)C[C@@H]1C(F)(F)F |&1:1,2,13|
|
C#CC(NC1CC(C2CNC2)C1)C1CC1
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CC[C@]1(O)C[C@@H](NC(=O)NC2=C(Br)C3=C(C=C2)SC=N3)C1
|
C[C@@H](NC(=O)C[C@@H]1CC[C@H](O)C1)C(=O)NCC1CCCO1 |&1:6,9|
|
CCN(CC(=O)NC)C(=O)CNC(=O)CCCF
|
CO[C@@H](C)C(=O)N(CC1=COC(C)=N1)CC1(C)CCCO1
|
CC(C)OC(=O)C(C)(C)NS(=O)(=O)C1=CN(C)C=N1
|
C#CCC(N)C(=O)NNC(=O)CC1CCC(C)(C)C1
|
CC1=CC(N(C)C)=CC=C1CNC(=O)C#CCN
|
NCCCCCC(=O)N1CCN(CC2CCCO2)CC1
|
O=C(NC1CC2C=CC1C2)C1=C(Cl)N=C2C=CC=CN12
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CCN(CC(=O)NC)C(=O)C1=C(C)C=C(C(=O)OC)O1
|
CC1=NC=CC(CNC(=O)C=CC2=C(F)C(F)=CC=C2)=N1
|
COC1CC2(C1)CC(N)(C(=O)NC1=NOC(C(C)C)=C1)C2
|
O=C(NCCC1=CSN=N1)N[C@H]1C[C@@H]1C1=CC=C(Br)N=C1 |&1:11,13|
|
CCOCC(C)OC(=O)C1=CC(F)=C(C(F)(F)F)C(F)=C1
|
CC1=C(C(=O)NC2(C3=NOC=N3)CCCC2)OC=N1
|
O=C(NCC1=C(C(F)(F)F)NN=C1)C1=NC=CN1C(F)F
|
CC(O)CCC1=CC=CN=C1C1=CC=CS1
|
CCOCC(=O)NCCC(C)N(C)C(=O)CCP(C)(C)=O
|
CCCN1N=NN=C1C(C)(CCC)NC(C)(C)C
|
C=CCC(CC)C(=O)N[C@@H](C)C(=O)NOC1CCC1
|
FC(F)(F)OCCCNCC1=CNN=C1
|
CC1=NOC(CNC(=O)NC2=C(Cl)C=C(Cl)N=C2)=C1Cl
|
O=C(C=CC1=CC=C(Cl)C=C1)NNC1=NC(F)=CC=C1Br
|
O=C(CC1(O)CCCOC1)N(CCOC1CC1)CC1CC1
|
C#CCCCCCN(CC1CCOC1)CC1(C)CC=CC1
|
C1=CC(C2=NC(CN3C[C@@H]4C[C@H]3CN4)=NO2)=CS1
|
NC(CCN1CCN(C2CCCC2)CC1)C1CCC1
|
C[C@]12CN(C(=O)CCC3CCCCC3)CC[C@H]1C2(F)F |&1:1,16|
|
CN1C=NC(CC(=O)OCC2=CON=C2C2CC2)=N1
|
O=C(NCCCNC1=NC=CC=N1)NCCC(Cl)Cl
|
COC(=O)[C@H]1C[C@@H](NCC2=CC=C(C(C)(C)C)S2)C1
|
COC1=CC=C(NCC2=CSC3=C2C(Br)=CC=C3)N=C1F
|
FC1=CC(F)=C(F)C(NCC2=CC(I)=CS2)=C1
|
CCC(NC(=O)C1=CC=CC(F)=C1CN)C(F)(F)F
|
CC1=CC(N)=CC=C1N1C=C(C2=CSC=C2Br)N=N1
|
CC1=CC=CC=C1CC(C)(C)NCC1CC(C)(C)C1
|
CCCN1CCC[C@H]1CNC(=O)CCC1CCOCC1
|
CC1=CC=C2C=CC=CC2=C1CNC(=O)[C@H]1NC[C@@H]2C[C@@H]21
|
CC(C)NC(=O)CO[C@H]1CCN(C(=O)CC2CC2(C)C)C1
|
NC1=CC=C(C(=O)NC(CO)C2=CC=CC=N2)C(F)=C1
|
CCC(=O)NC[C@H]1CCCN1C(=O)C(C)=CC1=CC=CO1
|
CCC1=CC=C(CO)C=C1OCC1CCC(C2CC2)O1
|
O=C(CNS(=O)(=O)N1CCC2(CCCC2)CC1)C1CC1
|
CC(=O)N[C@@H]1CCN(C(=O)C(C(C)C)N(C)C)C[C@H]1O |&1:4,18|
|
O=C(NC1=CC=C(Cl)N=C1)C(=O)NC12CC1CS(=O)(=O)C2
|
CC1=CC(C)=CC(/C=C/C(=O)N2CC(C)C(C)C2C)=C1
|
CC(C)[C@@H](CNC(=O)C(C)(F)F)NC(=O)CC1CC1
|
C=CCC(C)CN(CC(CC)CC)CC1(C)CC1(F)F
|
COC1=CC=C(NCC2CC23CCC3)C=C1NC(N)=O
|
CN1C=C(Cl)C=C1CNC(=O)C1=NC(OC(F)F)=CC=C1
|
CC1=CC(F)=CC(OC(=O)N2CC(=O)N(C)C2=O)=C1
|
CC(C)(C)C1=CC=CC=C1C(=O)NC1CC(CF)C1
|
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCC=CC2CO)=N1
|
C=CCCNC(=O)C1=CC(Cl)=CC=C1NCC
|
C=CCC(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CC)CO
|
COC1=CSC(C(=O)NC2CC3(C2)CC3NC(C)=O)=C1
|
CC12CCC(CNCC3=C4N=CNC4=CC=C3F)(CO1)C2
|
CO[C@@H](C)CNC(=O)C1(C)CCN(C(=O)CC=C(C)C)C1
|
CCC1=CC(OC2=NC=NC(C)=C2CC)=CC=C1Cl
|
CCOCCCCNC(=O)NC[C@H]1C[C@H]1CF |&1:12,14|
|
BrC1=C(Br)OC(CN2CCC23CCCOCC3)=C1
|
COC1=C(CN2CCC([C@H](C)N)CC2)C(C)=NN1C
|
CCC(NC(=O)CC1COC1)C1=NC(C(C)(C)C)=NO1
|
COCC1(CNCC2=C(Cl)C(Cl)=CC=C2[N+](=O)[O-])CCC1
|
CC1=NC(N)=C(C(=O)NCCCCCN(C)C)S1
|
CN(CCC(N)=O)CC1CCCC2(CCOC2)O1
|
COCC=CC(=O)N(C)C1CN(C(=O)CSC)CC1(C)C
|
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