smiles
stringlengths 11
172
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| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C[N](CC3CCOC3)N=N4
|
5AB796CFBE2E563F_01615953700D43A8_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](C(=C3)C)C4CCOC4)=O
|
4F59A7CEBA094630_39AD19E490F20DA1_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3(CC3(C)C)C4=CC=CC=C4)=O
|
22A99E07F7FD007C_572F984D3DAA1A21_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CN=CC(=C3)C4=C(C=C(OC)C=C4)C)=O
|
53EA75E3C55B6B56_F4D8299542B9D8A3_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)C3=NC=CN=C3)=O
|
E16414BA27077544_4A3B417AE25E1C49_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CC(C)OCC3)C)=O
|
70686687525177AF_7902EF320677641A_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CCC(C)CC3)C)=O
|
51DD0A0D158FAB13_92BAE5FB278F1F4B_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CCCC3CC)C)=O
|
53CE3D276B6E879F_8A68FD2F5F9E2F41_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(N=[S](C)(=O)C)C=CC=C3)=O
|
560655D668E4BD22_1F4AF6C893A4305D_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3[C@](C)(CN(C3)CC4=CC=CC=C4)C5=CC=CC=C5)=O
|
299AD8A7FB3F2526_ABB7F92C9EAFCF7C_6038_UN
| 37
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](C(=C3)C)CC4CCCOC4)=O
|
8774B144C6A6E6E4_0F270B255E4A3895_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=N[N](C=C3)C4CCOCC4
|
92D9EFAAC5835AE4_1DC921113C8133FD_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCC(C)(C)CC3C4=CC=CC=C4)=O
|
DD82F18CACDBAC24_9985F0723B0AA198_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC(CO3)C4=CC=CC=C4
|
8EA75D9280F6661E_9FE79CCFBDEB0D96_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC4=C(C3=CC=C(OC)C=C3)N=C(S4)C)=O
|
764AABF4F0DE9F4B_DDF64CFA9929EEF3_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C=C(C=C3)OC4=CC=CC=C4)=O
|
DE5E68FCD03F4D9D_77DC971EE37A46B0_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3[C@H](N(CC)C(CO3)=O)C4=CC=N[N]4C)=O
|
EB3B86AB3C3B00F1_20AC235DBB6A0E79_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CC=NS3
|
9A75D08F858AB381_B7D8653CF07CF698_6038_UN
| 24
|
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