SMILES
stringlengths
11
220
Source
stringclasses
16 values
IC1=CC2CC1C13CC21C1CC3CC1c1ccccc1
tartarus_reactivity
IC1=CC2OC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
BrCC=C1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1
tartarus_reactivity
CC1(Cl)C2CCC1C13C4C=CC(C4)C21C3c1ccccc1
tartarus_reactivity
BrC1=CC2CC1C13CC21C1CC3CC1c1ccccc1
tartarus_reactivity
N=C1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1
tartarus_reactivity
OC12C=CC(C1)C13CC21C1CC3CC1c1ccccc1-c1ccccc1C=CCBr
tartarus_reactivity
IC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1-c1ccccc1
tartarus_reactivity
Ic1ccccc1C=CC=Cc1ccccc1C1CC2CC1C13OC21C1C=CC3C1
tartarus_reactivity
C1=CC2C(Oc3ccccc3)C1C13CC21C1CC3CC1c1ccccc1
tartarus_reactivity
C(C=CC1CC2CC1C13NC21C1C=CC3C1)=CCc1ccccc1-c1ccccc1
tartarus_reactivity
Cc1ccccc1C1CC2CC1C13NC21C1C=CC3O1
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1Nc1ccccn1
tartarus_reactivity
C1=CC2C(Oc3ccccc3)C1C13SC21C1CC3CC1c1ccccc1
tartarus_reactivity
Cc1ccccc1-c1ccccc1C=COc1ccccc1C1CC2CC1C13CC21C1C=CC3S1
tartarus_reactivity
C=CC1C2C=CC1C13CC21C1CC(c2ccccc2C)C3C1
tartarus_reactivity
CC=CCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
Cc1ccccc1C1CC2CC1C13CC21C1C=C(F)C3C1
tartarus_reactivity
Fc1ccccc1C1CC2CC1C13OC21C1C=CC3C1F
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1C1C=C1c1ccccc1
tartarus_reactivity
C1=CC2C(c3ccccc3)C1C13CC21C1CC3CC1c1cccnc1
tartarus_reactivity
OC12CC(c3ccccc3)C(C1)C13SC21C1C=CC3C1
tartarus_reactivity
C=C(Cc1ccccc1C)C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1OCc1ccccc1
tartarus_reactivity
C1=CC2SC1C13OC21C1(c2ccccc2)CC3CC1c1ccccc1
tartarus_reactivity
Brc1ccccc1NC1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
CCC1C2C=CC1C13C4CC(CC4c4ccccc4)C21C3Br
tartarus_reactivity
ICOc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
C1=CC2(c3ccccc3)CC1C13NC21C1CC3CC1c1ccccc1
tartarus_reactivity
C=CCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
C=CC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1C
tartarus_reactivity
ClC12C=CC(C1)C13OC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
Cc1ccccc1C1CC2CC1C13OC21C1OC3C=C1F
tartarus_reactivity
C1=CC2OC1C13SC21C1CC3CC1Cc1ccccc1
tartarus_reactivity
Cc1ccccc1C1CC2CC1(C)C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
ClC1C2CC(CCc3ccccc3)C1C13CC21C1C=CC3C1
tartarus_reactivity
Brc1ccccc1CC1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1
tartarus_reactivity
CC=CC=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1c1ccccc1-c1ccccc1
tartarus_reactivity
CC=Cc1ccccc1C1CC2CC1(C)C13CC21C1C=CC3C1
tartarus_reactivity
Brc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
BrC1C2C=CC1C13OC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
Cc1ccccc1C=COc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
BrC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1F
tartarus_reactivity
BrC12CC(CC1c1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
C(=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3S1)c1ccccc1
tartarus_reactivity
CC1CC2C(c3ccccc3)C1C13CC21C1C=CC3O1
tartarus_reactivity
C=CC1C2CC(c3ccccc3OC)C1C13CC21C1C=CC3C1
tartarus_reactivity
CC12CC(CC1c1ccccc1)C13NC21C1C=CC3O1
tartarus_reactivity
Oc1ccccc1C1CC2CC1C13NC21C1C=CC3C1
tartarus_reactivity
SCc1ncccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
FC1C2C=CC1C13OC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
O=CCCc1ccccc1C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
Fc1ccccc1C1CC2CC1C13CC21C1C=CC3C1Cl
tartarus_reactivity
FCC1C2C=CC1C13OC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
CC1=CC2OC1C13SC21C1CC3CC1c1ccccc1
tartarus_reactivity
CC1=CC2OC1C13SC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
Cc1ccccc1C12CC(CC1c1ccccc1CBr)C13CC21C1C=CC3C1
tartarus_reactivity
CC=CCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
ICCCCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
C1=CC2CC1C13NC21C1CC3CC1c1ccccc1-c1ccccc1
tartarus_reactivity
BrC12CC(c3ccccc3)C(C1)C13OC21C1C=CC3C1
tartarus_reactivity
ClCc1ccccc1CC1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
FCC=CC1C2C=CC1C13SC21C1CC(c2ccccc2-c2ccccc2)C3C1
tartarus_reactivity
CCCCN1C23C4C=CC(C4)C12C1CCC3C1
tartarus_reactivity
CC1CC2C(c3ccccc3)C1(Br)C13CC21C1C=CC3C1
tartarus_reactivity
BrC1=CC2OC1C13OC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
Cc1ccccc1C1CC2CC1(Br)C13CC21C1C=CC3C1
tartarus_reactivity
Cc1ccccc1CCOc1ccccc1C1CC2CC1C13CC21C1C=CC3S1
tartarus_reactivity
Clc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
O=Cc1ccccc1C1CC2CC1C13OC21C1C=CC3C1
tartarus_reactivity
NC1CC2CC1C13NC21C1C=CC3C1Oc1ccccc1
tartarus_reactivity
BrC12C=CC(C1)C13OC21C1CC3CC1c1ccccc1
tartarus_reactivity
C1=CC2C(c3ccccc3)C1C13CC21C1NC3CC1C1=CC=C(c2ccccc2)C1
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1c1ccccc1CCCc1ccccc1
tartarus_reactivity
CSc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
COc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
BrCC1C2C=CC1C13OC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
CC12CC(CC1c1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
Sc1ccccc1C1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
C1=CC2C(c3ccccc3)C1C13SC21C1CC3CC1c1ccccc1
tartarus_reactivity
C1=CC2C(c3ccccc3N3C=C3)C1C13CC21C1CC3CC1c1ccccc1
tartarus_reactivity
COCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
Fc1ccccc1C1CC2CC1C13CC21C1C=C(Br)C3C1
tartarus_reactivity
ClC=Cc1ccccc1C=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
C=C1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1CBr
tartarus_reactivity
BrC12CC(CC1Cc1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
FC1=CC2CC1C13CC21C1CC(c2ccccc2Cl)C3C1
tartarus_reactivity
CC1CC2C(c3ccccc3)C1C13CC21C1C=CC3C1F
tartarus_reactivity
OC12C=CC(C1)C13OC21C1CC3CC1c1ccccc1
tartarus_reactivity
Sc1ccccc1C1CC2CC1C13CC21C1C=CC3(c2ccccc2)C1
tartarus_reactivity
CC1CC2C(c3ccccc3)C1C13C4C=CC(C4)C21C3Br
tartarus_reactivity
CC(O)=CC=Cc1ccccc1-c1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
Cc1ccccc1C1CC2CC1C13NC21C1C=CC3C1c1ccccc1
tartarus_reactivity
BrCC1=CC2CC1C13CC21C1CC3CC1c1ccccc1-c1ccccc1
tartarus_reactivity
BrC12C=CC(C1)C13OC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
Cc1ccccc1C=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
C=C(CCC=Cc1ccccc1)C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity