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)C3=CCCC3 | 426A0C02EE294A6A_A0B522274D5AEE91_6038_UN | 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3CCC3 | F2ED3E8A274E8D3C_FE44AA8F6F7CC887_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CC(=C(C=C3)F)F | C939CEFF34AA4CC4_60C7CDD00A4452F7_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(CC(C)C)N=C(S3)C)=O | A07B655740480903_1BE67D8183B34E70_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC)OC3=C(C=CC=C3)C)=O | A0D89EBE92BB5CF7_BFB6795900B7738F_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C=C3)I)Cl | 0F89C03D2F7CB862_B308AD46B9684910_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C[N]3N=CC=N3 | ACABDEC19075B7C4_334EFF727CBC436C_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCC(C(OC)=O)C3)=O | 53AAD770827CE7D4_60DDE6BF56FA5C4D_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H](C)N(C)C)=O | 855DD6D327EA7457_2FAF1D749F98C1A6_6038_UN | 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC4=NC3=C(C=CC=C3F)[NH]4 | 142A175DE22FA918_D7701CB5FA81CAC7_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C(=CC=C3F)[N](=O)=O)F | 5D62A0124DE38071_C1DFB063B10FC1EF_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C(OCCCOC)C=C3)=O | D0FD0DD4635D6F8E_6E155B112F3F6E46_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(C3=CC(=C(OC)C=C3)F)=O)=O | D3C97D059A7A7A36_8F71F33A19EB356F_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)C4=CC3=C(C=CC=C3)O4)=O | 4D7C2A99406CA193_CEAFB37F5A877F4A_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC4=NC3=C(C)C=CC=C3[NH]4)=O | 302B911D72051199_4D94885353B19ECF_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC34CCCC4 | 63DFEA9BB4FA65F0_500BEB5ECC733E17_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)CNC)=O | 5C1D1855F3F41E1C_9377803B5F981903_6038_DP | 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4CCC(=O)N(CC3=CC=CC=C3)C4 | E5AAC7CD31F328EB_680AC18F9FDF138B_6038_UN | 32 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C(=C3)[S](=O)(=O)Cl)F)C)=O | 5C2CBE22011B3A48_24E943E1C7262C41_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=CC=C3)SCC#N | 802417D94BFF90F7_B559D8CFC1274CF7_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=CSC)=O | 32B1AA4576C409DB_CD0CC1EB37365E50_6038_UN | 22 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=CC(=C3)[N](=O)=O)[S](=O)(=O)Cl | 4FDC1538366C1B23_CB9D4808C568B03D_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)COC3CCOC3 | 90F648AEB2647684_8C4BA0430C8F7CD3_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C[N]3C)C#N)=O | 76839C81ECC6C337_E104CDE625331B72_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3=CSC4=C3C=CC=C4 | 428A3D521A5333CE_A1C4EF5705B24CC1_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3OCCOC3=CC(=C4[N](=O)=O)[N](=O)=O | 09C5DC04CF805165_6B1E72D69FF4E4C4_6038_UN | 34 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CN(C(=O)C3)C4=C[NH]N=C4 | 5AD6D77D04ACF0EC_BCBBF8CDDDE3E626_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=C(C)O3)C)=O | DCBFBC21968E8722_DA69F792BE8E220A_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C[N](C)C=N3)=O | 4E18D68B08DA4147_47B9F3BB971B2283_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(=C(C)C)C)=O | 5BC910BBB083913B_27D176C85212F9B5_6038_UN | 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CCN(CC3=CC=CC=C3)C4 | 8C177F33F227EBDE_C6923E84EF864A4D_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=NC=C3)N4CCC(C)C4)=O | 98842FD2DE08A16C_C3D17D8E69DE5FDC_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CC(=CC=C3)C#N | BBCCF9CD53AB86E9_3732B0049477ED9B_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(N=C(C(OC)C)S3)C)=O | FEF654BDFB168FAA_360ED80D7E1D65F1_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(N(C3CCN(CC)CC3)C)=O)=O | 6B60F439E89E4A3E_F520FA07C96769EE_6038_UN | 32 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3)F)CSC)=O | 42E8A1A3D2BA1A80_66A3D7B5E7DFA9A0_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CN(C(=O)C3)C4=NC=CS4 | 61BE4314A82252F2_F7F8006552124348_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CS3)F | F7849404D2324E4D_00F0D9F82FAD8AEF_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CN=C3C=CC=CC3=C4C)=O | 1498F493031B7D8A_F88219785A248C82_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C)S3)C4=CC=C(C=C4)F)=O | 01C9F9FFF7BBE208_99156D276F9F15B7_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C3=C[N](C)N=C3)N4CCOCC4)=O | 8B3BE9239C797CD6_D8E04B26543F6904_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC3=NN=C(C(C)C)O3)=O | 814EB0DE7D4E7FF1_7D8C3BE19D7F4F76_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)C3CCCC3)=O | FC749D43B9917F64_F35305D5021BCD19_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=CC(=C3F)[S](C)(=O)=O)F)=O | 6DA00650DB8EB8CC_0639185E2D07F64D_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC=CC3=CC(=CC=C3)F | 61152EC1842A4971_DDF77AC247438697_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CN=C(C(OC)C)S3)=O | 510AA6A6C9400DA0_890BD1594235219D_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCCCC(C)C)=O | 3B4C896E982FC98F_2CE423ACD1F4D854_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C(O)C=C3)=O | 908474AA16E90C57_7335870A5C6E6219_6038_DP | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CC)CC3)=O | 4F8E534F76FBECE6_F2E124540D0761A1_6038_UN | 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3CCCCCC3 | 278CCE19C47BF829_18E9A79F3DFA8DAB_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCC3=CC=C(C)S3)=O | FDC681D975189A12_DB2E14E0603FEB4D_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCCN3C(=O)C=CC3=O | A6557CF94CE30D33_B2F8C6D9334470F0_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C(C)C)[N]3C=CN=C3)=O | 3CC537EA408D06A3_E08BB3FE6F471649_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC=C(OC3=CC=CC=C3)O4 | A7EC4EE15BAFCF3F_2D90DE851F2EFE8B_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(C)C(=O)C3=CC(=CC=C3)F)=O | 129A9759916EA408_E398F8D6B82A9B8C_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C3=CC(=C(OC)C=C3)OC)C)=O | F03CF7E698CF4FFE_F6E3135D01D0E86F_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4(CC3=CC=CC=C3)CC4 | 453CC1092691969A_43A1779B7E011896_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CC)COC3)=O | 84D5F698B9F57F79_E4618E981D6178AD_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CC)CCC3)=O | 036890AA12379E5E_C3AEE230FDDBC772_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=CS3)[S](NC)(=O)=O)=O | 32B0CA4251974979_DD21FE51C28902C4_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(C)CCCO3)=O | 38130096B3E5D33E_A01B19D163738E9C_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC(=CS3)CN4CCOCC4 | 80F040987341A582_9B89210577533749_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(N(C(CC)=O)C)C=CC=C3)=O | 3694DB269DA2D436_9EBF55D7FF93D7D1_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=NC(=NO3)C4=CN=CC=C4 | 361674D1E6535CAA_8839E18124C1E8A4_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=CS3)OC)=O | 6DD3B370E1E32AF0_6F15A12039DC90F8_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3CCCCN3C)=O | 9D81EBBEF7CE189E_804B698FD1E8E793_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CC=C(C)CC3)=O | 9FF72AD77F66B77F_01FA7FC709DD4259_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CN(C(C=C3)=O)C4=C(C=CC=C4)F | C78AB0043D04DBEE_733C38DC3CF3D595_6038_UN | 32 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=N3)C)OC)=O | 31C878346C91BDE4_EFCCA41AF004818D_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CSCC(C)=O)=O | DDE382B6B6071CE6_28F8FCF0F61AC2E7_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC)OC3=C(C=CC=C3)F)=O | AC9001B1FAC14100_B2B6BE5B5948036D_6038_UN | 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3CCCOC3 | 77F5742A93488896_6F8751117377ECD9_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(O3)C)C)=O | 7413908EC7B9D3B8_70C068D772DC2B8F_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)N=CO3)=O | 29FC6BFF785B7F12_1FEAC2412828DF9D_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCOC3=CC(=C(C)C=C3)C)=O | AB99AD6AD03B1B78_F80A053505EB9824_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C(=CC(=C3)[S](=O)(=O)Cl)F)F | D544646DDA41B5FB_FA35C650194FFF65_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4CCN(C3=C(C)C=NC=C3)CC4)=O | B6B1D6890803FB40_3AE1CA39B6BFB93C_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=N[NH]C=N3 | EA1604C225385828_DEB0FB0E54F3FD67_6038_UN | 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CSC(=N3)C(OC)C)=O | EAFAB5F02D7C9345_3E1262C34AEEDFC0_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[NH]N=C3C4=CC(=C(C=C4)F)Cl | 024D1A329E3333AE_36E9FC9C60406B7E_6038_UN | 31 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3=NN=C[NH]3 | 37ACBE1314D58F5E_D43C1D8C87C791FD_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCOC(C)=O)=O | FB1A722C93592415_89C9D7CB4696DD87_6038_UN | 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=C(C(=CC=C3)F)F | 3628B1F171B3F0D4_933C3FFA2B1860AE_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCOC(CC(C)C)C)=O | DEA2FF476B95011E_EAA9BD545205DAA5_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCSC3=NC=CC=C3 | E656338B45B331AE_0D3FC7DB58D635CD_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3CCCCO3 | C69B80EC294FB5C3_01A7E422EB33B7CF_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C(=C3CCCC3)F | 0E826C1B75D36BB3_293C06B9DD9C0A23_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CCCCC)C(C)C)=O | 6AB4ED10536C8E30_D0B7BCF0526865C0_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC(C)C)N3CCCCC3=O)=O | 1163B4E93B225F1E_A06DB85E83E81B61_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(N(CC)CC)=O)=O | 70E3FC9750A335E3_3AF5E954754C84A1_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=C3CCC(C)C3)=O | 0BBBE02B0F1CCBE7_A40BF0943B0DD454_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C(C(CC)C)C=C3)=O | 18365C6A66C59DA2_2C4E19F6DFF67F1A_6038_UN | 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(O3)C)[S](N(C)C)(=O)=O)=O | C42794FFB76A7C77_422777A6DE5E2B57_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(N=C(S3)C4CC4)C5=CC=CC=C5 | B74D85263A65B96D_475C467DF2841A9F_6038_UN | 32 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C[N]3C)C(=O)N)=O | 4424184E27062175_8BBFFB1D84D7A03E_6038_UN | 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[NH]N=C3C4=C(C=CC=C4)F | 5E18D3C438A811F2_468404C8DD882BD1_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=N[NH]C(=C3)C)=O | 7E7FB1320E096E9C_D80FD0F733376EA5_6038_UN | 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCN(C(C(C)(C)C)=O)C3)=O | 57CB5A109CD3CC05_EC1FE1941A8DE4E6_6038_UN | 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(OCC)C(=C)C)=O | 34B583495FA6B75C_174978A5461B0C43_6038_UN | 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C[N]3C(=NN=C3C=C4)C5CC5 | 814BEE20641BC374_775900E188B71FCC_6038_UN | 30 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.