smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=C(N=C(C)S3)C=C4)=O
|
8ABBB9F4B392994A_D034A8E40E210549_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CN=N[N]3C4=CC(=CC=C4)F
|
C386EE0FA21B869C_EEE52F1AD1EE62E7_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C[N](C)N=C3C4CCOC4)=O
|
EAD1486793EA24A7_0A4A3B8989DD0540_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[NH]3)C4CCNC4)=O
|
85736F26DD684042_B3C9E9A3FDCAE424_6038_DP
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(OC)(C)C)=O
|
826D58569BA9F3E4_8A4813B200A38DF4_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCC4=C3N=C(C)S4)=O
|
9C725CD22FEB1FD4_068377BB1A589088_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](N=N3)CC4CCCC4)=O
|
3EF325C072254D36_83E6C8F1C167D649_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C(=C(C)C=C3)Cl)F)=O
|
B29EF798876FB306_12462E295E52C94D_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(N(C)C)C=C3F)[N](=O)=O)=O
|
4B3744FDA5053407_59CB4DA7FC1AEBC6_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3OB(O)C4=C3C=CC=C4)=O
|
3F8252D610FAB56B_BBCF76FA35F96D10_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(OCCC)C=CC=N3)=O
|
C0234F455C549B3B_676337123E7CD4B7_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H]3C[C@H](OC)CN3C(=O)C)=O
|
0A4A88A31DE6B922_B3B4844784185489_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C(C)(C)C)S3)[S](=O)(=O)Cl)=O
|
E8229E35D4CBBC6C_27DFA40962C848BE_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCC(=O)C4=CC=C[N]34
|
1B09051CD3EB1E0B_F53CF5949D878F49_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C(C)C)C3=CC=NC=C3)=O
|
3D555811F1C67ABE_C60DD3811A3C34BC_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C([N](CC3=NOC(=N3)C)N=N4)C)=O
|
74AFFD91E7F9E33D_980CB37D6B6E166C_6038_UN
| 31
|
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