image
imagewidth (px) 400
400
| caption
stringlengths 1
55
| cid
int64 3
168M
| split
stringclasses 1
value |
|---|---|---|---|
C1=CN=CC2=C1NC=NS2(=O)=O | 10,012,589 | train |
|
C1=CN=CC2=C1NC=NS2(=O)=O | 10,012,589 | train |
|
C1=CN=CC2=C1NC=NS2(=O)=O | 10,012,589 | train |
|
C1=CN=CC2=C1NC=NS2(=O)=O | 10,012,589 | train |
|
C1CC(CC1CC(=O)O)(C(=O)O)N | 10,012,681 | train |
|
C1CC(CC1CC(=O)O)(C(=O)O)N | 10,012,681 | train |
|
C1CC(CC1CC(=O)O)(C(=O)O)N | 10,012,681 | train |
|
C1CC(CC1CC(=O)O)(C(=O)O)N | 10,012,681 | train |
|
C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CO | 10,012,695 | train |
|
C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CO | 10,012,695 | train |
|
C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CO | 10,012,695 | train |
|
C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CO | 10,012,695 | train |
|
CSC(=O)CCCCN=C=S | 10,012,726 | train |
|
CSC(=O)CCCCN=C=S | 10,012,726 | train |
|
CSC(=O)CCCCN=C=S | 10,012,726 | train |
|
CSC(=O)CCCCN=C=S | 10,012,726 | train |
|
CCCCCCSC1=CC=CC=C1 | 10,012,875 | train |
|
CCCCCCSC1=CC=CC=C1 | 10,012,875 | train |
|
CCCCCCSC1=CC=CC=C1 | 10,012,875 | train |
|
CCCCCCSC1=CC=CC=C1 | 10,012,875 | train |
|
CN1C=NS(=O)(=O)C2=C1C=CC=N2 | 10,012,941 | train |
|
CN1C=NS(=O)(=O)C2=C1C=CC=N2 | 10,012,941 | train |
|
CN1C=NS(=O)(=O)C2=C1C=CC=N2 | 10,012,941 | train |
|
CN1C=NS(=O)(=O)C2=C1C=CC=N2 | 10,012,941 | train |
|
CCCCC(=O)CCCCN=C=S | 10,013,008 | train |
|
CCCCC(=O)CCCCN=C=S | 10,013,008 | train |
|
CCCCC(=O)CCCCN=C=S | 10,013,008 | train |
|
CCCCC(=O)CCCCN=C=S | 10,013,008 | train |
|
C1=CC=C(C(=C1)CC(C(=O)O)O)O | 10,013,144 | train |
|
C1=CC=C(C(=C1)CC(C(=O)O)O)O | 10,013,144 | train |
|
C1=CC=C(C(=C1)CC(C(=O)O)O)O | 10,013,144 | train |
|
C1=CC=C(C(=C1)CC(C(=O)O)O)O | 10,013,144 | train |
|
C1CCN(CC1)C2CCCCC2=O | 100,139 | train |
|
C1CCN(CC1)C2CCCCC2=O | 100,139 | train |
|
C1CCN(CC1)C2CCCCC2=O | 100,139 | train |
|
C1CCN(CC1)C2CCCCC2=O | 100,139 | train |
|
C1CSC(SC1)C(C(F)(F)F)(F)F | 10,014,420 | train |
|
C1CSC(SC1)C(C(F)(F)F)(F)F | 10,014,420 | train |
|
C1CSC(SC1)C(C(F)(F)F)(F)F | 10,014,420 | train |
|
C1CSC(SC1)C(C(F)(F)F)(F)F | 10,014,420 | train |
|
C1=CC(=CC=C1OS(=O)(=O)N)Br | 10,015,065 | train |
|
C1=CC(=CC=C1OS(=O)(=O)N)Br | 10,015,065 | train |
|
C1=CC(=CC=C1OS(=O)(=O)N)Br | 10,015,065 | train |
|
C1=CC(=CC=C1OS(=O)(=O)N)Br | 10,015,065 | train |
|
CC1CC(CN(C1)C)C | 100,164 | train |
|
CC1CC(CN(C1)C)C | 100,164 | train |
|
CC1CC(CN(C1)C)C | 100,164 | train |
|
CC1CC(CN(C1)C)C | 100,164 | train |
|
C1CC(CC1O)O | 100,165 | train |
|
C1CC(CC1O)O | 100,165 | train |
|
C1CC(CC1O)O | 100,165 | train |
|
C1CC(CC1O)O | 100,165 | train |
|
CC(C)CC1C(=O)OC(=O)N1 | 100,167 | train |
|
CC(C)CC1C(=O)OC(=O)N1 | 100,167 | train |
|
CC(C)CC1C(=O)OC(=O)N1 | 100,167 | train |
|
CC(C)CC1C(=O)OC(=O)N1 | 100,167 | train |
|
CC(=O)OCCF | 10,016 | train |
|
CC(=O)OCCF | 10,016 | train |
|
CC(=O)OCCF | 10,016 | train |
|
CC(=O)OCCF | 10,016 | train |
|
C(CF)OC(=O)Cl | 10,017 | train |
|
C(CF)OC(=O)Cl | 10,017 | train |
|
C(CF)OC(=O)Cl | 10,017 | train |
|
C(CF)OC(=O)Cl | 10,017 | train |
|
CC(=O)SCCF | 10,018 | train |
|
CC(=O)SCCF | 10,018 | train |
|
CC(=O)SCCF | 10,018 | train |
|
CC(=O)SCCF | 10,018 | train |
|
C1CCC2(C(C1)O2)C3=CC=CC=C3 | 100,193 | train |
|
C1CCC2(C(C1)O2)C3=CC=CC=C3 | 100,193 | train |
|
C1CCC2(C(C1)O2)C3=CC=CC=C3 | 100,193 | train |
|
C1CCC2(C(C1)O2)C3=CC=CC=C3 | 100,193 | train |
|
CC(=CC(C(C)(C)C=C)O)C | 100,197 | train |
|
CC(=CC(C(C)(C)C=C)O)C | 100,197 | train |
|
CC(=CC(C(C)(C)C=C)O)C | 100,197 | train |
|
CC(=CC(C(C)(C)C=C)O)C | 100,197 | train |
|
C(CN)CF | 10,019 | train |
|
C(CN)CF | 10,019 | train |
|
C(CN)CF | 10,019 | train |
|
C(CN)CF | 10,019 | train |
|
C1=CC=C(C=C1)CCN | 1,001 | train |
|
C1=CC=C(C=C1)CCN | 1,001 | train |
|
C1=CC=C(C=C1)CCN | 1,001 | train |
|
C1=CC=C(C=C1)CCN | 1,001 | train |
|
CCC(C#N)Cl | 100,204 | train |
|
CCC(C#N)Cl | 100,204 | train |
|
CCC(C#N)Cl | 100,204 | train |
|
CCC(C#N)Cl | 100,204 | train |
|
C(C(=O)O)NC(=O)N | 10,020 | train |
|
C(C(=O)O)NC(=O)N | 10,020 | train |
|
C(C(=O)O)NC(=O)N | 10,020 | train |
|
C(C(=O)O)NC(=O)N | 10,020 | train |
|
CC1(C(C1(C)C)Br)C | 10,021,572 | train |
|
CC1(C(C1(C)C)Br)C | 10,021,572 | train |
|
CC1(C(C1(C)C)Br)C | 10,021,572 | train |
|
CC1(C(C1(C)C)Br)C | 10,021,572 | train |
|
CC(C)(C)C(CO)CO | 100,226 | train |
|
CC(C)(C)C(CO)CO | 100,226 | train |
|
CC(C)(C)C(CO)CO | 100,226 | train |
|
CC(C)(C)C(CO)CO | 100,226 | train |
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