smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34 | 85FBB6FA98BF03E4_A7C45AB1EDDA8642_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C]3(C[C]4(C3)C[CH2]C4)C5=CC=NC=C5 | EA2BCDD88980D6C6_FD01CFAB2C6AAB68_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3OC=CC3=C(C=C4)F | 4A7A15FE76ECA63A_7CF5468AC7B0A6B2_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC4=C3C=C(C)O4)=O | 17E138E0F4F77DD6_39D6C19C39BC756A_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC4=C(C=C3)CNCCO4)=O | 8C19DFF33E6CBE2B_49B573B06FD003A1_6038_DP | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC(=C(N=C3)Cl)Br | 36F03BA40BC596F7_D3F831F3BE57075A_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C(N(C4=C3C=CC=C4)C)=O)=O | 4E32066A49D68B6C_27C20F39AEF16B37_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@]34CCN[C@H]3CCCC4)=O | E089B3B5A6DCB914_AE1D7CB78EF5B387_6038_DP | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(C3=C(C)C=CC=C3)N=NS4)=O | 52062519CCAFFE7B_E8C4BC05DF7F958C_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CNC3CCCNC3)=O | 8FB44693B60AB37D_A2D7069202D8811C_6038_DP | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN[C@H]3CCNC3)=O | 9399CB047FEB037A_4C968668C39721B9_6038_DP | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CNC3CCNC3)=O | 91922A61EE1FAC4C_EF8ACA39CDF307EE_6038_DP | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]4C[C@H](NC3CCNCC3)C4)=O | B0DB8D4F03CA86A2_1709498C4657EE13_6038_DP | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]4C[C@H](NC3CCCNC3)C4)=O | 898F605AADEE3D9A_9DD94E859983AD2E_6038_DP | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C(C3CCCCCC3)N4CCCCC4 | A5EC7D04DEA73296_FED4671100537092_6038_UN | 32 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(CCC)C=C)=O | 71EC5CBCEE14DE18_D4F740125384B79F_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(C3=CC=N[N]3C)[NH]N=N4)=O | E09DD399D1E494BA_833C2CA775DD1E1D_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC=C(CN[C@H]3CCNC3)S4)=O | 583DD8B809F97A24_5F9446528BCBF956_6038_DP | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC3=C(C(=C(C=C3)Cl)F)O4 | F464F547612D3354_008D02DC14969885_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[N]3C)C4CCCC4)=O | E2FEACFE232C17A4_B9ED697C0F331F1A_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CCCNC3)C#N)=O | 889EACEA0ACA15EB_A5DA38BFA0602448_6038_DP | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=COC4=C3C=CC=C4F | 381F9F4FFA4ABC4F_FC0A3A32CD749009_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=COC4=C3C=C(C)C=C4)=O | 6C143CD641BBBC9E_C41F54D1C0432A65_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=COC4=C3C=C(C=C4F)F | 714780AED67E983B_D6ADE2032BD8DEAF_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=COC4=C3C=CC(=C4)C)=O | 8C9ABD92CC38E0B2_4BE33D375B03D4A6_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CC4=C(C=C3)SC=C4 | 04DABBC3259B6CAE_FC845AA49B115949_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C6(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)CC6)=O | F93D56C02E366F11_1971555804FB1C5F_6038_UN | 40 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCN(CC3)C4=CC(=O)NC=N4 | 02426B5CD7753266_41E99737AEE0B93D_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCN(C3)C4=CC(=O)NC=N4 | 244EAC3E7BC69E8F_E6A6D0B1657B030D_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H](C)N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | F46CBB774258395B_09C795B730305119_6038_UN | 39 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC)N(CC)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 01A10F7A8E6BB44C_177467A6BA949F47_6038_UN | 41 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)OC(=C3)CN(C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 31AC8281A531D87F_0DCFBF33BFCA70B9_6038_UN | 44 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)COCC3CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | BEF24C1821C7CB7B_1F8C6B2987DB5E74_6038_UN | 44 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 6A9A16B9BFDBA8C4_9772CE9E110E32D5_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4N(CC3=NN=C(C)[N]3C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 946F533F3F5BDFBE_2CBC32760254566B_6038_UN | 45 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CCCC(C)(C)C3)=O | BDFD628A235A7A93_642126AC2BBD1239_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(C=C3)[S](CC4)(=O)=O | E3D93CBFCB7C9E11_8C0350CB182DF259_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(COC)CCCCO3)=O | AD846A5ED5ACA867_4B9C72537E06B8FA_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCC3CNC3)=O | D49F8AFA78BDB8F6_03E8776C4E40433A_6038_DP | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(OC)C3=CC(=CC(=C3)F)F)=O | CCA335EF0CE2D905_306EDA2750E66D3A_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[N](N=N3)C4CCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 24A6E40780AEDC41_FDC27C90F03D5496_6038_UN | 45 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC4=C3CCN(CC3=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 35F08246C32141F9_A3DC74CFDFD19CF8_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(C=C3)OCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | A649ABFBC0DBEFAF_C2002BA913260F2F_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)[N]7C=CC=N7 | 0EC8B8DBD2C72FC6_61C18C7795722CFD_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C[N](C)N=N3)=O | 74ADEB29290CB2FC_B33F2BD63C35A618_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=NC=N[N]3C)=O | 61F79672D889937D_24112567F33E55CA_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3CN(C[C@H]3C4=CN=C[N]4C)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | B2AA52CCC028F01B_2C9F7A5CF8B3B824_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=N[N](C3=CC(=CC(=C3)OC)F)C=C4)=O | B245685EF76DF9E8_D67A50DB2610A33F_6038_UN | 32 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[N](N=N3)C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | DBB8A6157B50E191_098B8689AA28BDDD_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C7=C[N](CC3CCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)N=N7 | 6C15B2D7F020E2B9_75AE0B36475F1141_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](N=N3)C4CCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 400D7B185147BB69_DB17A3E1FD0BAAF2_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC(CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7=CC=CC=C7 | 5B3E905B8E4AFEB4_8D78DE38569E1393_6038_UN | 47 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CSC(=N3)CC4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 9633ACC9B190D870_54C5BB670A3AF4C7_6038_UN | 47 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)N=C(S3)CC4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 8A5CB65CDD9972EB_743075B842850798_6038_UN | 48 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(C(O)=O)CCCC3)=O | AFFFFC46BAE32905_B5FD664399407FBA_6038_DP | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C[N](C)N=C3C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 9FB0F9A0352CD945_80B0F8C77F5E2BAA_6038_UN | 47 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[N](N=C3)C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | A1EED83FD4ED11FE_7213FF2592681DA5_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CN(CC34CCC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | C2BE3AE65347C9B1_69837A76B8F489FD_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3CN(CCC3=N[NH]4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 482D0434F85D866D_7ED72945D3B4EF6D_6038_UN | 44 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[N](N=N3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | D993422C2331C8E6_B5AC900D56F9C7A8_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC34CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 23C1B1D77082D5F0_7475B67FB70396FE_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)ONC(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 235F678C1E938493_007F35D0A0BDE4F9_6038_UN | 39 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC4OCC3(CNC3)C4)=O | 2E98962177240F36_2189D1A7E8EE3A84_6038_DP | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=CC3=CC=C(C)O3)=O | CA82DBDA21392793_85441404EB8757A7_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCOCCO)=O | E439840D6C42BCC1_CAD0947FF7EDAB33_6038_DP | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(COC3)C#N | 44E37821357BF757_341103FC9C0D81EC_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC3=CC=C(C(OC)=O)[NH]3)=O | 7FE64C39D2D6BDDF_34A07ABCA1422A07_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)(C)[N]3C=C(N=N3)C4=CC=NC=C4)=O | A6C1915506F4E118_E3860A76A6027302_6038_UN | 32 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(C=C3)N=C(O4)C5CCCO5 | 01DFBED7641DC3B5_8AD388598E3A7D21_6038_UN | 32 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H]3C[C@@H](C)CC(C3)(C)C)=O | D7F982752343E0D9_185947CEAC732827_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(C(OC)=O)CCNC3)=O | 7038F1AACDD185E9_F11367E914132932_6038_DP | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=NC=C3)C(N)=O)=O | D183D1F02705B061_E947585249E1219D_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C6(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)CCOC6)=O | AB6363FB068E41FE_A33FFAE15E6DBB4F_6038_UN | 42 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C#CC3CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | EA121CD4C5FC11A6_86433B01481CDF61_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C34CCC(CC3)N(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | AC5C32F8F9DC9374_C643450F765228CD_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC4CCC(C3)N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | A13EC0BB929D7664_568317024CAC663C_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CN(CC34COC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | E3A6537B7CDCE33B_43BF5E2FFEC91765_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3C[C@H](C)N([C@@H](C3)C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 2A14790042E54763_F3C9ED44F6E2445E_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3N(CCC(C)(C)C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | DCADCA95E9BAA7C2_A69666C61743BC8C_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC3=C(C=CC=N3)[NH]4 | 0F7B919A34FEDF5D_FA7862356D933F07_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC(=N3)C(C)(C)C)=O | F20E4D4B3320F5E3_A2ACA8CE1CC8072E_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)(C)CF)=O | D5B9D1801048F583_20D2156F9DDEC411_6038_UN | 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCNC3=O)=O | 01B2479D35C3FF2E_978AB250D1568481_6038_DP | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[N]3C4=CC=CC=C4)C)=O | 51AC496018014DA2_69725CFE2CF67032_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CC(C)(C)OCC3)=O | 6E41F24049CC892D_AF0B0531D1EB45BC_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)(C)C#C)=O | 68AD41B4ABDE2545_A8EC29852F0E4D1C_6038_UN | 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C[N]3C=NN=N3 | 216805D64DFD64B4_0CBD4832FEF4A874_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(CC[S](=O)(=O)CC3)C#N | 6639715576820C86_6378360AA94F64E3_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN(C(C)C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 220C6FB934C6E485_D638ADD5F336D18E_6038_UN | 40 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN(CC3CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | E66726696BB363BB_0CAF3C2A8A8244EF_6038_UN | 41 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCN(CC3=CC=C(C=C3)F)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | B854AF3B28C32DA3_EDA5CCA56A8181DD_6038_UN | 46 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCN(C3CCCC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | B35DDBB4BFB59E72_B2E0CF33D9BDCFF5_6038_UN | 43 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4CCC3CCCCC3N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | BEE556A6D496521A_8CAE52DEA70872C7_6038_UN | 45 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN(CCOC)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 819902710974FCFF_77A7A58AAF54F070_6038_UN | 41 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CC=C([S](C)(=O)=O)C=C3)=O | CEC79D83B3D517A9_C443686664FE9FCC_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC3=CC(=NO3)C)=O | 53E001758D18D7A1_8D87EA8F41782AC6_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC4=C3OCCOC3=CC=C4 | CE00141F94E0DE9C_0C93A87C10703FB5_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CCCNC3)F)=O | 0A39EE7C60BC3AF1_9194453500B74076_6038_DP | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C([N](C)N=C3)[S](=O)(=O)N)=O | 8319FF871435D007_4DADFA6034FF0CB4_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C=CC3=CC(=CC=C3)C#N | 515955F0671A3DFB_5384F251BF5B8EF8_6038_UN | 28 |
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