smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCC(C)(C)C3)=O
|
062AEB2B34A143E1_2E2AA911EF959889_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=N[N](C(CC)CC)C(=C3)C)=O
|
2BE2E42F41A9B94A_99E83E972779195F_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=N[N](C(CC)C)C(=C3)C)=O
|
34118AC783A83FF2_9E892E41E4F4B2E6_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=N[N](C(C)C3CC3)C(=C4)C)=O
|
CBFD640DD6441B4C_DC3FCC627DE3C837_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C(=CC=C3)[N](=O)=O)N4CCOCC4
|
72332978D962B01E_2AB87F610CF0C943_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC(=C3)C4=NN=C(C[S](C)(=O)=O)O4)=O
|
9CE1777F357554E7_4223C287D4116891_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C=CC(=C3C)[S](=O)(=O)Cl)=O
|
CFA46AB12FA6B10F_AE4606E9DECB6633_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C5(CC(=O)N4CCC3=C(C=CS3)C4)CCCCC5
|
F0FFAFE1775A2AD3_DD14B379B685086F_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=COC(=C3)[S](N(C)C)(=O)=O)=O
|
DEDE962B1173C36D_15EFE2332ABF18A8_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCCC3=CC(=C(C=C3)Cl)Cl
|
E3D45399A5016F97_FFAE743E3DEBA703_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC3=C(CCOC3)[NH]4
|
C96821ADD179EF22_FE25FA6FB09472E3_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3C(N(CCOC)C(C3)=O)C4=CC(=C(C=C4)Cl)F)=O
|
DD4E2BC100311106_295DB4AFB85A01AD_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC3=NC(=NO3)C4=CC=CC=C4
|
2F7E14CE03877C94_5FB581C3317E7512_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(C3=C(C(=C(OC)C=C3)OC)OC)=O)=O
|
CB54C18535567D9B_95B76D37FD35DB3B_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3C(N(C(C)(C)C)C(C3)=O)C4=CC(=C(C=C4)Cl)F)=O
|
43A8578083B338AE_CF554148A87E5897_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C4=C(N=C3)C=CC=C4)SC5CCCC5
|
4376066DC27E4602_DAB2E0E2F6216BCD_6038_UN
| 34
|
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