smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C)C=C3)F)=O
|
DC030CC2023F3768_5190F27933D1A7E8_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN5C4=C3C(=CC=CC3=CC=C4)[S]5(=O)=O
|
480133F1F54EA3E5_49516DA7CF452FE1_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CSC4(CCC(=O)N34)C5=CC=C(C=C5)F
|
E68B6110546A2ED9_25E6B08583A27D60_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(N[S](C3=C(C(=CC(=C3)C)[N](=O)=O)C)(=O)=O)C=CC=C4)=O
|
3A153024E237558A_54DA66C6A24136D1_6038_UN
| 39
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CSC(=N3)NC(C(C)C)=O)=O
|
C5B1C73164DE8AE4_29F6D0D978B5F649_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C=CC(=O)N3CCN(CC3)[S](=O)(=O)C4=CC(=CC=C4)[N](=O)=O
|
9F7F600486C9319D_065FD857764050E4_6038_UN
| 40
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4CN(C3=C(C=C(OC)C=C3)OC)C(C4)=O)=O
|
F4F73E267C026DCC_FF86A66225A94627_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C(C)C)N[S](=O)(=O)C)=O
|
E100A26EA6FBEB9A_40F69644BC79E231_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3C=N[N](C3=NC(=C4)C5=CC=CC=C5)CC6=CN=CC=C6
|
21BA0E9BFC64058B_DA088615E3F70388_6038_UN
| 40
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CC=C(CC(C)C)C=C3)=O
|
1C27DCA1DC437AF0_C2AE29755E4124AE_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCCCN[S](=O)(=O)C3=CC(=C(C=C3)F)F
|
A816E5B42F0960F0_E3F662D74674C981_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC(=O)C3=CC4=C(C=C3)C=CC=C4
|
23DF6AEEDA5CF7E1_9B18D1668AC97845_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC=CC(=C3)N4CCCCC4
|
99DE2CEB25A642A9_9DE8BAB47A3AF199_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCN([S](N)(=O)=O)CC3)=O
|
A30750E20BA47F41_AA54E011B2ADE152_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C([S](N(CCC)CCC)(=O)=O)C=C3)=O
|
3759A30A926EC409_35344636BDA6F3AE_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3=CC=C(O3)C4=C(C=CC=C4)F
|
13A9B584019B4DAB_96A06329B07C998A_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C=CC3=CC=C(C=C3)OCC5=C[N]4C=CC=CC4=N5
|
83451CE59EEB542E_1D9B2D21AC855A7D_6038_UN
| 37
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)C5=CC=CC=C5
|
EAB1DD1BA25BD010_D02704F71D398F7D_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C35CCC(=O)N3C4=C(C=CC=C4)S5
|
92CB1EFA2E8B2074_84D3261E84B98E73_6038_UN
| 31
|
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