smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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|
63136E1D97D82E1E_77EB2A8921BA1DA9_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3C=CC=CC3=NC5=C4CCCC5=CC6=CC=CC=C6
|
A404F056CAE885CF_F1BAC6ED9092C759_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCN3CCSC3=O
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EEAEBBE3CFFB1244_5F93266E4ED96ED1_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN3C(N(CC)C(C4=C3C=CC=C4)=O)=O)=O
|
75D0A3E8BC2A99F1_C5D007458ABC8BB4_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CSC(=C3)C4=CC=CC=C4
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5E7F896E947C622D_A6A83768993F9975_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCCC3C5=NC4=C(C=CC=C4)S5
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DDA32CF545A10A21_5D86FC140923A650_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)COC3=C(C=CC=C3)C#N
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC[S](=O)(=O)C3
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46BD1FA1BF85DD72_2B31609B446B39F7_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN(C)C3=NC=CC=N3)=O
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8FB4D3FA14D07E11_982DCC9891F35BD7_6038_UN
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023129A54CF4426D_92C87CD1E1F0021F_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3)OC4CCCC4)OC)=O
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC5=C(C=C3)C(=O)N(CCCN4CCOCC4)C5=O
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5FA32D0C3BBDD4F8_B6AE72E69809AF70_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=CC(=C3)C)N[S](=O)(=O)C)=O
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D820680A1FC8E3E4_DE586F6D71E443D6_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C=C3)F)Br
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EA0FBAB6807A0DC0_DA2621E1D749B633_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN3CCN(CC)C(C3=O)=O)=O
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3F1A63CD5F88098F_7EE45F5820365F69_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC=C(CSC3=NC=C[N]3C)O4)=O
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83CE1F3EE14BF72C_5DD65E6DBD2C8F1B_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C([N](C)N=C3)[N]4C=CC=C4)=O
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7D36529784BD6506_9A0A16F8A89AB0C0_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCN(C3)C(=O)CC4=CC=CC=C4
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F6C2C104CA32F765_EE25EB077F9B45CD_6038_UN
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15DCCBA204DDC439_9926956FFA7EC138_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C[S](N)(=O)=O)=O
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4A68B935A0DB3150_C7F919F5EDDCAA4E_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CN=C(OC(C)C3=CC=CC=C3)C=C4)=O
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EE3C2FD4CDFC3CA2_F846129E186BB1C4_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C=C3)I)Br
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A3B6460FB64F7931_388F1E6B4E20EFA6_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3CC4(CN3)CC4)=O
|
28B7D01426227D41_7D55BA699468B6BA_6038_DP
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCC3=NC(=NO3)CCC)=O
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3F5997F868B9A38E_91DC318E9EF2CD3D_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCN[S](C)(=O)=O)=O
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087E280508ADF2B1_FC5AECD625B33224_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C(N=C4C(=C3C)C=CC=C4)C5=CC=CC=C5)=O
|
3CB0C73341A1D276_EE44267C87705541_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC=C[N]3CC=C
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C48BB70AEED02E25_A91CCD7D2AAB68A3_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3=NNC(=O)NC3=O
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27EF97C4E600E4E2_1AA3B025EBCE5401_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C=C3)[N]4C=NC=C4)[N](=O)=O
|
9771457608415FFC_2ED5B609EA756F5D_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C([N](C3=CC=C(OC)C=C3)N=N4)C)=O
|
650BA4EC869DAEB7_8CA68144C1DD0933_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C3C(C4(CCC3C4(C)C)C)=O)=O)=O
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5443AE375BFC8395_3DD5AA04E531B615_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(SCC3=C(C(OC)=O)C=CO3)C=CC=C4)=O
|
3EC0A221A63EE29E_0AC68A058B5C2644_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC(=O)NC3=NC=CS3
|
A1565F505B7B6221_99750AE64BD3EB41_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCNC3)=O
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A56979229B5ECBA2_94C6138249AA899A_6038_DP
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3C=CN=CC3=CC=C4
|
AA82F2A3C9CB1923_5B8BE7F4F64EEDF8_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=COC(=C3)C#CC4=CC=CC=C4
|
5D491DD91B40E018_A86C6918DB5A977C_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(N=C(C3=CC=C(C)O3)S4)C)=O
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8132EBC16769AF01_06D17D00ACE2C1DD_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCN3CCCC3
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83FDAD2834CC41E2_C3CDD11720A76C98_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CN(C)CC3)=O
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05F8DE4F32BC345B_3D601BA5A65185DF_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CC=C(C=C3)[N]4C=CC=N4
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B0DD0C2430656F5C_E8704B8526C734A7_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=NC=C3)F
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31228B3963FFDF46_78EB6F16B7461C06_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN3CC[S](=O)(=O)CC3
|
0AD168B510EAED8C_F13848F2071E0608_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=CS3)[S](=O)(=O)Cl
|
A93DA3DDCD43C5FB_D8EA10387DC95B0B_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=C(C=C(OCCCC)C=C3)[NH]4)=O
|
701EB8F7C1D51FEA_2DB294AC058186CE_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCC3=NN=C(O3)C4=CC=CC=C4
|
76FB1895DE926E20_141214CDF7DEE2ED_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCC3=NC(=NO3)C4=CC=C(C=C4)F
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2A6D03401D7F5A6E_D9704DBDE04C5CDA_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(N=C(CCCC)S3)C)=O
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6E9EF52FF27471F6_5915CA8A677B299E_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(N=C(C(C)C)S3)C)=O
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9C5203441CC2CB8A_B5497FC437D07BA2_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(N(C)C)N=CC=C3)=O
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BC86AC5E885D6397_003ADF17E327B73A_6038_UN
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|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(N=C(C3=CC(=C(OC)C=C3)OC)S4)C)=O
|
C63C49186906C964_651EA8F62F2DD426_6038_UN
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|
1AE5506DE79E437B_1B6BE39F881EE4D1_6038_UN
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|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=CC=CC(=C3OC4)OCC)=O
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30059FDC4506B879_FFA77C7CF65E53B0_6038_UN
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|
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|
1536A09EE7B9151B_EA3BA0B38A9CFF79_6038_UN
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|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCC3=NC=C(O3)C4=CC=CC=C4
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8220108444C1549A_53434D14C4D06195_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC[S](=O)(=O)CC3=CC=NC=C3
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9B5F3BAF334519E3_D7A5638536767D86_6038_UN
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|
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6ECE61C8F4414771_0ED4569BC068C97B_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CN(CCC3)CC4=CC(=CC=C4)F
|
834AC1724B424533_38825DA46FBD98CB_6038_UN
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|
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|
0B06FE3A9D2AA780_89180786B4E78005_6038_UN
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9AD4D967F36942AB_2A98C4B92AEB9C54_6038_UN
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04E3B8F95164C442_4D0A7235645E1949_6038_UN
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E1AD66DCAC5B7609_D05321388156C48B_6038_UN
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8692BE7287FC008A_91E17B3A3CAE5EFD_6038_UN
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8CBE1398A0DF3E10_0F0558B968C1CAB6_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(COC4=CC3=C(OC(C=C3C)=O)C=C4)=O
|
AC183F092B00FBC2_6DB4ED378534F736_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CSCCN(CC)CC)=O
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70203955C68DD6F5_E9E114776F8AECE9_6038_UN
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|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCNC)=O
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F0E43958D5B87C19_8B07114794244DA1_6038_DP
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C[N]4C3=C(C=C(OC)C=C3)C=C4)=O
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C6349878C1707FD3_E76AFE71DBF825E4_6038_UN
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69DAF75D6F82DBFC_DFB60ED789005C23_6038_UN
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5B78D5B7B932595C_A1604EA276068929_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCN(C(N(C)C)=O)CC3)=O
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A63B8127FD72B54B_EA35A884846ED5F4_6038_UN
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EEECCD45DF422893_7BC26E64E0519BEB_6038_UN
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BDE24FE1249201CB_FC96A67CD62EDD51_6038_UN
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DC84F6DF5A13D693_538F7D65E98FFFBB_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCN(C3)C(=O)N4CCCC4
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C=C(S3)[S](=O)(=O)Cl)=O
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8AFCC19D5C15E726_665DC22FBCF4FBF3_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NC(=C(C=C3)C#N)C)=O
|
0FA398D4D688CF7C_265759DC8B850544_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN3C4CC(C3)C=C4
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409BE38D69899EF6_2E5A6F7FD6A88748_6038_UN
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EA00C9343683F9C6_37CED08BC3203042_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[N]3CC)C(C)C)=O
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EB9ECB46D5E65349_3895FEA859A6F864_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C([S](N(C)C)(=O)=O)O3)=O
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4FD574001C4DF56F_BCF69E9771474043_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CS3)[N]4C=NN=N4
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BC9891BED8E1D145_76D0D09BBFF0E1B8_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C(N=C(C)NC3=O)C)=O
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17C3371902271F2E_1C23CD850F9EE9EB_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(O3)[S](=O)(=O)N4CCCCC4
|
F6F44A81A0E8A5C1_A885220E77EC7438_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCC4=NC3=C(C=CC=C3)O4
|
C0B95A1F230852E0_9B27E8E7CD356CE7_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(OCC)C=CC(=C3)[S](=O)(=O)Cl)=O
|
B10DC1FE6F32E270_E30AF1454C7C4800_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(C3=C(N=CC(=C3)C(C)=O)S4)C)=O
|
CD1E218ABA8DCA84_91BF4F54FD7E932B_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC=C(C[S](C3=CC=C(C)C=C3)(=O)=O)C=C4)=O
|
2BC80A9F2052A97D_E43DC08D39CFE212_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CSC(=N3)C4=CC=C(C)O4)=O
|
C205A236F1106884_28EB66DEAB20C361_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)OC(=C3[S](=O)(=O)N)C)=O
|
84659F6AC79D0D40_0F7D07F220CF36B2_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CN(CCC3)CC4=CC=NC=C4
|
625574339434B8E9_2844EC28D195148F_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[N](N=N3)C4=CC5=C(C=C4)OCCO5
|
8D1B0A9821F0D19D_870423DD71F60E0D_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)N=C(S3)CC4=CC=CC=C4)=O
|
F88E8B6C66ACCFA7_1822AF16A41FB81A_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN3C=C(C(N)=O)C(NC3=O)=O)=O
|
E4CAC83C764CF9A2_5B8BF391F35DDE01_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C(C)C)[N](N=N3)C4=CC=C(C=C4)F)=O
|
3CE1C6EBE310738E_56D7C1076F0CE74B_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CSC(=N3)C4=CC(=C(C=C4)Cl)Cl
|
60187DD95F9CE59C_B8D8522DADE0E415_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCSC3=NC=NC4=C3C(=C(C)S4)C)=O
|
635FAC192552C7B0_35691A03DFE7E185_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC3=NN=C(O3)C4=CC5=C(C=C4)C=CC=C5
|
D48AA9934C6EE4E4_B345EF6E2D972B96_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=C(C(N(C(C)C)[S]3(=O)=O)=O)C=C4)=O
|
8353E1B7134461BF_C6DAE300E6892F12_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=CC=C3)C[S](=O)(=O)C4=CC=CC=C4
|
69C2B5FAD9423085_4919ECC0DF1B518B_6038_UN
| 34
|
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