smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
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04E6EDD7042E815A_6E4C01E83B329773_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(N(C)C)C[N]3N=CC=C3)=O
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC=NC=C3
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)SC4=NC3=C(C=CC=C3)[NH]4)=O
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EBFF10129C0CB35C_4A7C04045F314F77_6038_DP
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CD845DA1BF1C0823_22FBF82F48C891F8_6038_DP
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32E38820C9E5FD02_B942BAE2DB5F4DA4_6038_UN
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E22C5BF9A999891B_2362F597365F02B6_6038_UN
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| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=N[N](C(=C3)C(C)C)C4=NC=CC=C4)=O
|
7261831A4B1F6A7F_A673E471843221A7_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(N=C4SC=C[N]34)C5CC5
|
BED1A3A48755A0DA_30673865A5F3985D_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(ON=C3)C4CC4
|
C3A3A1E2818E7EC3_79822BEC989DCD97_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC=C(C3=NN=C[N]3CC)C=C4)=O
|
DB485E8161579B06_86A66A645F4014B5_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(CC)C=C3)C#N)=O
|
481D9042C1660C11_75B78CDC183E1454_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=N[N](C(=C3)C(C)C)C4=CC=CC=C4)=O
|
E4A78A521401994B_EC3F7FC3B201A4D2_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=CC4=NC=C[N]34
|
B5888D66C2329720_8464E80A6170C162_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=N[N](C(=C3)C(C)C)C4=CC=NC=C4)=O
|
45DAE53866C9BCCB_97F7776F3115B2EC_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)C(=O)C4=C[NH]C=C4
|
E67F4BBBD23A2CE6_507EEE35566BB66A_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=NC(=CS3)CC)=O
|
3E7ED676C1EDFCB8_3B2BAF9F836743DC_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC4=C([N]3N=NN=C3N=C4C)C)=O
|
7F5B1B25AFA895F3_AEEC102C24CB06A0_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCN3C4=NC=NC5=C4C=C(C)S5)=O
|
9381E49A59F87790_F7ACBCE113B12BC9_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CN=C(OCCN(C)C)C=C3)=O
|
749F52101636D0C5_9D117444BA17B7EA_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCC3=CSC(=N3)C)=O
|
F6016A832C290080_0EC232CF64D357BC_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4[N]3C=CN=C3CCC4
|
E188AF8F132E92B2_4C36DC94E43F44F9_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3N(C(C)C)CCC3)=O
|
656CD46DAAB02081_B34BD742CCBB7041_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=NO3)C4=CC5=C(C=C4)OCC5
|
FDB2A9498A839E27_FE281C96770AFEED_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3)OC(=O)C)OC)=O
|
E6EC963996C13B07_0A294773C5742D7E_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC3CCOC3=O
|
4D11B4EBA4C69A4E_47C34FD345428A84_6038_UN
| 26
|
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