smiles
stringlengths 11
172
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int64 8
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| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@@H]3CCCN3[S](=O)(=O)C4=CC=CC=C4
|
9222C928128916F6_CCE2F3A7994E11D7_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H](C(C)C)N[S](=O)(=O)C3=C(C=CC=C3)F)=O
|
0B7B9B2BE4D5C30B_A5731BE34D8D9588_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3)[S](=O)(=O)Cl)C)=O
|
4D5327A657323239_DAD29DDDBB7A7751_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)OC(=C3)[S](N(C)C)(=O)=O)=O
|
B49BE5BA9C9A424F_D2FDDD0C3E93A490_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCSC3=NN=C(C)[NH]3)=O
|
D469042509B1955A_89E98F5161828B19_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C)C=C3)[S](=O)(=O)NC4CCCC4)=O
|
56B4394C10D8A069_3BCFF04DC3E9C87B_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C=C3CC3
|
1C9D70265399B0B0_72526F0128597473_6038_UN
| 22
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(OCC(OC)=O)C(=C3)C)C)=O
|
6BF7B2D78C8E4300_5540D75E8800AC4A_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CCCCC)(C)C)=O
|
E86D5CCC36C8F0F7_25CEC6515FFAA9D3_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C[N]3N=NN=C3C=C4
|
8ABD8B17E838CC7B_A5C689758A2AE552_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=CC(=C3F)OC)F)=O
|
9BE740996F122526_0801EB8F383815B8_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CN=C(C=C3)[N]4C=CC=C4
|
BD202DFDC3E5BA31_AD17FECDFE639028_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4
|
2633B570E5D9278F_53086EFF4DC7BF14_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NOC(=N3)C4=CC(=CC(=C4)F)F
|
D046520CA3F7CFC3_EDA2692A38A2714C_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=C(C)C3=C(C=C(C=C3)F)F)=O
|
C061CDD76CF175FB_4DF0C182503206BE_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3CSCCN3)=O
|
A5085D32BA21BF74_00B1431E49C4DBC9_6038_DP
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)=C3CCCC3)=O
|
9BBB451875C6D993_409D9D2F991D3A1A_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C4=C([NH]3)C=CC(=C4)C)=O
|
54AE8CC7436C8B8B_FA392F03F4A47697_6038_UN
| 29
|
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