SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
C1=CC2(c3ccccc3)CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CC=CCc1cccc(C2CC3CC2C24CC32C2C=CC4C2)c1 | tartarus_reactivity |
FC12CC(CC1c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1N=Cc1ccccc1 | tartarus_reactivity |
FCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1c1ccsc1-c1ccccc1 | tartarus_reactivity |
C(=CC1CC2CC1C13OC21C1C=CC3O1)Cc1ccccc1 | tartarus_reactivity |
NC1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1Br | tartarus_reactivity |
Cc1ccccc1C1C(C)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Cc1ccccc1C1CC2CC1C13C4C=CC(C4)C21C3I | tartarus_reactivity |
OC1C2CC(c3ccccc3)C1C13OC21C1C=CC3C1 | tartarus_reactivity |
Oc1ccccc1C1CC2CC1C13NC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
BrC1C2CC(Cc3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
Brc1ccccc1CC1CC2C(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CN1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CCCC=C(c1ccccc1)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2C(c3ccoc3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
BrCc1ccccc1C=CCCC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
FC1=CC2CC1C13CC21C1CC(Nc2ccccc2)C3C1 | tartarus_reactivity |
CC1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
Brc1ccccc1CCCNC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2OC1C13CC21C1C(c2ccccc2)CC3C1c1ccccc1 | tartarus_reactivity |
NC12CC(c3ccccc3)C(C1c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
Oc1cccc(C23CC(CC2c2ccccc2CS)C24CC32C2C=CC4C2)c1 | tartarus_reactivity |
NC1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1 | tartarus_reactivity |
ClC1C23C4CC(c5ccccc5)C(C4)C12C1C=CC3C1c1ccccc1 | tartarus_reactivity |
SC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1c1ccccc1C=C1CC1 | tartarus_reactivity |
Clc1ccccc1OCCC=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C=CC1CC2CC1C13NC21C1C=CC3C1c1ccccc1-c1ccccc1 | tartarus_reactivity |
C(C=CC1CC2CC1C13OC21C1C=CC3O1)=Cc1ccccc1 | tartarus_reactivity |
CC12CC(c3ccccc3)C(C1)C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
CC12C=CC(C1)C13CC21C1CC(Nc2ccccc2)C3C1 | tartarus_reactivity |
OC1C2C=CC1C13CC21C1CC(Nc2ccccc2)C3C1 | tartarus_reactivity |
SC1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
C(=CC1CC2CC1C13CC21C1C=CC3O1)Cc1ccccc1 | tartarus_reactivity |
CCC=C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2C(C3=CCC3)C1C13OC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
Clc1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
Cc1ccccc1C1CC2(C)CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC=CC(=O)C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2OC1C13OC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C(C=Cc1ccccc1)=CCNC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
NC1CC2CC1C13CC21C1C=CC3C1c1ccccc1Cl | tartarus_reactivity |
Cc1ccccc1COc1ccccc1C1CC2CC1C13CC21C1C=CC3S1 | tartarus_reactivity |
BrC12CC(C=CC=CCc3ccccc3-c3ccccc3)C(C1)C13OC21C1C=CC3C1 | tartarus_reactivity |
BrC1(c2ccccc2)C23C4C=CC(C4)C12C1CCC3N1 | tartarus_reactivity |
C1=CC2CC1C13C4CC(c5ccccc5)C(C4)C21N3c1ccccc1 | tartarus_reactivity |
OC12CC(CC1c1ccccc1)C13OC21C1C=CC3O1 | tartarus_reactivity |
C1=CC2OC1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
FC=C1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
C(=CC1CC2CC1C13CC21C1C=CC3C1)c1ccccc1 | tartarus_reactivity |
Cc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C=C(c1ccccc1Cl)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Nc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC12CC(CC1c1ccccc1)C13C4C=CC(C4)C21C3Br | tartarus_reactivity |
C(=CCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1)Cc1ccccc1 | tartarus_reactivity |
BrC=C1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2C(c3ccccc3)C1C13CC21C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
Cc1ccccc1C=COc1cccc(-c2ccccc2)c1C1CC2CC1C13CC21C1C=CC3S1 | tartarus_reactivity |
Fc1ccccc1-c1ccccc1C1CC2CC1C13OC21C1C=CC3O1 | tartarus_reactivity |
Cc1ccccc1CNC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC1=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C(=CC=CC1C2CC(c3ccccc3)C1C13SC21C1C=CC3C1)C=Cc1ccccc1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1c1ccccc1NC1=NCCCC1 | tartarus_reactivity |
O=CCNc1ccccc1C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C=C(Br)CCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
ICC=CC=Cc1ccccc1C12CC(CC1c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1(c2ccccc2)CC3CC1c1ccccc1 | tartarus_reactivity |
CCc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Cc1ccccc1C1CC2CC1C13C4C=CC(C4C4=NC4C)C21C3c1ccccc1 | tartarus_reactivity |
Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C=CC=CC=CC1CC2CC1C13CC21C1C=CC3C1c1ccc(-c2ccccc2)cc1 | tartarus_reactivity |
O=C1C2CC(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC=C(c1ccccc1CC)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
NC1CC2CC1C13C4C=CC(S4)C21C3c1ccccc1Nc1ccccc1 | tartarus_reactivity |
COCC=CCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CC1C(Cc2ccccc2Br)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
COCCCC=CC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
ClC12CC(CC1c1ccccc1-c1ccccc1)C13OC21C1C=CC3O1 | tartarus_reactivity |
CCc1ccccc1C1C(C)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13C4CC(c5ccccc5)C(C4)C21C3c1ccccc1 | tartarus_reactivity |
C=C1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
CC=CCCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
Fc1ccccc1C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Oc1ccccc1NC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C23C4C=CC(C4)C12C1CC3CC1C=CC=Cc1ccccc1 | tartarus_reactivity |
CC1C2C=CC1C13NC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2CC1C13C4CC(c5ccccc5)C(C4)C21C3C1CC1 | tartarus_reactivity |
NC1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
CC1CC2C(C=Cc3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
BrCC1C(c2ccccc2-c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Sc1ccccc1C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
BrC12C=CC(C1)C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2OC1C13NC21C1CC3CC1c1ccccc1Nc1ccccc1 | tartarus_reactivity |
C=CC=C1C23C4CC(c5ccccc5)C(C4)C12C1C=CC3C1c1ccccc1 | tartarus_reactivity |
Cc1ccccc1NC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2SC1C13CC21C1C(c2ccccc2)CC3C1c1ccccc1 | tartarus_reactivity |
BrCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2C(c3ccccc3)C1C13C4CC(c5ccccc5)C(C4)C21C3c1ccccc1 | tartarus_reactivity |
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