smiles
stringlengths 11
172
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41
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int64 8
77
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|
08F2A319D1DDC86E_11CF3B5EEF3CF1B0_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C=C3)F)[S](=O)(=O)NC4CC4
|
AF15A35935135E04_6D99B34D0AC56C7A_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C[NH]3)[S](=O)(=O)NC4=C(C=CC=C4)F
|
9985C16A15F362DA_4BD24A48BA821E82_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NN(C(C=C3)=O)C4=CC=CC=C4
|
C20C5F08AA74B651_E2D28C002EC6B5A2_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=N[N](C3=CC=C(C)C=C3)C5=C4CCC5)=O
|
534CC2F822AC6BB2_B1C35EF657D87D3D_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CN=C(N3CC(C)OC(C3)C)C=C4)=O
|
EC8BA42AEBEAC9D5_7A562B38B5DAE0CC_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C=C3)F)[S](=O)(=O)N4CCCC4
|
16E518A69171352D_CB0EF3D2AB25865C_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3)F)[S](NC(C)(C)C)(=O)=O)=O
|
DC46B38F2F0DDE10_1544E7484AF614B4_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4(C3=CC=C(C(C)(C)C)C=C3)CC4)=O
|
D0C8FBD566ED4668_74E6CD6D7AF3BEDE_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=N[N](C4=C3CCCCC4)C5=CC=CC=C5
|
316EC458CC914739_1FAF0924B91B2679_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(N=CC=C3)N4CCOCC4
|
F1F6E7AC68778CBC_FE1031B76005DDC5_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C([S](N(C(C)C)C)(=O)=O)C=C3)=O
|
9229F8B55D459E4E_8675E495685FD9C0_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4(C3=CC(=CC(=C3)C)C)CCC4)=O
|
A0A7C744AAB7EE56_1F064CC60B3E7511_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3OCCOC3=CC=C4
|
A2FD0F41F85B2D66_806204F49027FCD5_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CC(=C3)F)C4=CC=CC=C4
|
74234B80963779B2_2CD5A62F683DAEE8_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3)OCC4=NC=CC=C4)OC)=O
|
04E9C3E644578656_A3531414E76B75D1_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C[NH]3)[S](N(C)C)(=O)=O)=O
|
2F58C35FBD5EA81E_D1D82E71781C3721_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCN(CCC)CC3)=O
|
3D4FC2A9B3731861_108A48A2F0A820E0_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C5CN(C(=O)C3=CC=CO3)C4=C(C=CC=C4)O5
|
E222C28BE4842411_E159884B97B03E2F_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(OC=N3)C4=CC=CC=C4
|
C3BDBFFC6AB20AF8_A05816DD1AD5655A_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC[N]3C=NC=N3
|
B58E22FA172338D4_D8B9143B2D29274A_6038_UN
| 26
|
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