smiles
stringlengths 11
172
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41
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int64 8
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC3=C(C=C(C(=C3)Cl)Cl)[NH]4
|
C046F4BB986CB4CD_9405A9627D71EA28_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CN(C(=O)C3)C4=C(C=C(C=C4)F)F
|
72A39AF05F3D31B1_C684027EAE8864C3_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(SC3=CC=C(OC)C=C3)C)=O
|
E419C83300D9DDCF_94A211EDC7D7CBEC_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC5=C(C=C3)C(=O)N(C4CC4)[S]5(=O)=O
|
AB5A64DE214BCDEA_B457C0A6D06847C7_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CNCC3CC3)=O
|
41A5987EEB75E798_4BCA68B0B37DDC22_6038_DP
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)N[S](=O)(=O)C4CC4
|
C6813E7EE469FCE3_71B37AD111692F25_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CN([S](C)(=O)=O)C3)=O
|
C4254635A94B9D5C_824B3BBA6A9919E0_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C(C)(C)C)C=CN=C3)=O
|
44D0C37DF80E334C_674EF3FE882864E2_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(N(C)C)CC3)=O
|
A785AE336EC5DB27_A606E6C91918BBC2_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN(C)C3CCC3)=O
|
18B0A76DD2B07FFA_FEF46F4BCF458B2D_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CCC)CC(C)C)=O
|
91FA2A9F8418F34D_FA9FA5D39D74ED68_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC)CC(C)C)=O
|
B5F7034AE4144AED_6ACCB52F5FA2114E_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)N[S](=O)(=O)C3=CC=CS3)=O
|
296C44CC4CACA04A_0AB3F3BF1FBC98C4_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCN(CC3)C(=O)CCC4=CC=CC=C4
|
61CFE3B743C543CC_3A3E2AC05B05A4C0_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCN(C3)C(=O)C4=CC(=C(C=C4)Cl)Cl
|
8CD393F0C0E0D4A8_E64922D950B961A2_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=NO3)C4=CC=CC=C4
|
4A73F8E08DB68A35_0AB05D2BE01CBCAE_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NOC(=C3)C4=C(C=CC=C4)F
|
5EFB13AD51803FBD_0B59928339B8D6F0_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=N[N](C3=CC(=C(C)C=C3)F)C5=C4CCCC5)=O
|
4F95B115FF36E225_7EAAC2BF52BBF258_6038_UN
| 35
|
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