smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CCC(CC3=O)C4 | D2C8B5AA4DD736C4_D277EDD9D6147839_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC(F)C3 | 73A6CD91E97200F3_7444A108EE7946F5_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)C4(C)OCC4)=O | F3956E1BFDD4F6A2_6A425797F2ECC0D4_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=N[N](C=C3CN4CC(N(C)C)CC4)C)=O | AF97F175197321FD_B7A6CBA3EC0D33FB_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4(CC3=C(C=CC=C3)C4)N5CCOCC5 | 4140010432FAB633_427D964C5E06DC7E_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CSCCC)O3)=O | F9165DF1ED441BBD_1F66B9B938E0F110_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C(CO)S3)=O | 7CF664F08E0983EE_C22B69ABB52B2151_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CSC(=N3)C4=CN=C[NH]4 | 9A8D8EEE0C776B97_D5F767C760503BAC_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4[N]3N=CN=C3CCC4 | 1C9475C463AB84B6_078CD05D16767311_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C(C(N)=O)C=N3)=O | 8F04FB38BFF353A9_B69A1716576310ED_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CSC4=NC=C[N]34 | 7759E427D7089BCA_B5060B2857EC81C8_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C[N]([C@@H]3COC[C@H]3OC)N=N4)=O | 3D5F2A011EE50900_20D490127867C55E_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CSCCOC)O3)=O | 78B0530949F4927C_E792755143B10FC7_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(N3CCC(C)(C)C3)C=C4)=O | 401DE1055754AE5B_1746CC6704762537_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C(N(C)C)=O)(C)C)=O | 6C75368AD5D0BAD4_88306A0A458719BC_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=N[N](C=C3)C4=CC(=C(C(=C4)F)F)F | EE11275FF31A06A6_2587B336DEB9CA30_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)C4CC(=O)C4 | B6E1DD68C6E7B257_A5BD426A60BA5FB8_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CSC(=N3)N4CCNCC4)=O | B647365193C5CDFD_C79A55CAADB64FDD_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC4C3CN(CC3[S](C4)(=O)=O)CC5=CC=CC=C5 | 5B236F569925B56F_9E2A1F35358BAEB9_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3CNC3)[NH]N=C4)=O | D1A5AF6888D92A1C_484C45BDF38C1F6C_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CSCC(C)C)O3)=O | C3319A069E6F2F87_479FF346613FD7DB_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=N[N](C(=C3)CC)C4=CC=CC=C4)=O | 24799BC629ADD11C_4BF369EBE1FFDE57_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C)C=C3F)[N](=O)=O)=O | D7C165B3A554D2FD_F1DD9E618B14D629_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(C)[NH]3)=O | 554271070BC25720_B843AC15918E2828_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3=CC=N[N]3C)[NH]N=C4)=O | 18AED49E976C6B3D_6DCE6648A19F7BEC_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C([N](C)N=C3)S4)=O | 3EDC0079BE879C0D_1E52253C4E253FE3_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3NCCCC3C)=O | 74B714A186CF411B_FB41421E0E5AB6BF_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)[S](=O)(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5 | BD74423F2C114EF2_FE52D51B02CE97F6_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C)C=C3)[S](=O)(=O)N4CCCCC4)=O | F0D914E430DEF62A_9F976D32BA2004F9_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](N4CCN(C)CC4)(=O)=O)=O | 6A2DAC61AF208631_EBB98A5B4B9CA698_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=C[N](C3=NC=N4)C5CC5 | 6E2BDC4DB3934867_E4CD9BD202B2C83B_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]4CC3=C(C=CC=C3)N4C(=O)OCC5=CC=CC=C5 | 1A158F9DF046C725_A98BA68C64B749D0_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CNC3)F)=O | 95C31D19ACA1297A_EF5154DC6EFD2392_6038_DP | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)CC=C)=O | B493B673DE0C4938_2DF39A3C940B9001_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C[N]3N=C(N)N=C3C=C4)=O | 3776B400A54AF004_B29D02639EA018BD_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NC=CC(=C3)C)=O | 65091E1D93B8D782_68FEBC267F967052_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C5=CC3=C([N](C)N=C3C4=CC=CC=C4)S5)=O | B67A5D16CA3A48F6_E69D8BB76818E4AB_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C)C=C3C=N[NH]C3=C4)=O | 60BB2E0B4FADEB3A_E491DB8A005512F0_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3CC(C)(C)OC3)=O | 5B2C544DB0C72BC5_13B22E020DC37DE3_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H]3CNC[C@@H]3C4=C(C=C(C=C4)F)F)=O | A76E433D0D5B4EB0_751552AF272CF140_6038_DP | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H]3CNC[C@@H]3C4=CC=CC=C4)=O | C44AC483DD6562A4_D200224E65CC62BC_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)OCC4CC4 | 0B84B87A8D5BBA8F_25CBC39061ED5737_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CN(C[C@H]3C4=CC=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | BE817DC410D19B89_0DEC75CB175A99E8_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(C)C=C3)C)=O | 9129FAA659646635_F5216408BB990E32_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC4=C3C=CC=CC3=NC=C4 | 54054E069AB4C34B_9090C42FC8454BCF_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=C[NH]C4=C3N=CC=C4 | 047A4AD3E901F27F_AFE9DB5300477C0C_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=NC4=C(N=C3)C=CC=C4 | CB77C7C19DE95AEB_E0718AEFAB4FE3CE_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C(Cl)S3)Cl | 24697A7537EA8FD6_2E8AF1C66D18E08B_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=NC=C(C)C=C3)=O | 9FBE873EDF9A70A1_9ED9C191C3BFFA3B_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CN=CC(=C3)C)=O | 5E266C93034BAA12_D9C8B97D493AAE27_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4(C3CCNCC3)CC4)=O | 5794EDA997DCDCE3_32E95F20FB875ACC_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CNCC34CCOC4)=O | 70A82B36FDA10A28_68459A74DE7EAF2D_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CN(C[C@H]3C4=CC=C(C)C=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | B695B64BFE28C5A8_5BC8F5A556296A10_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)SC(=N3)C(OCC)=O)=O | A3770B70C301A9BE_8DAE3C9FB47AF9A4_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(CC34CCCC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | A9FF27ACA8746FB2_77A24797087FCE6B_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](N=C3C)C4CCC4)=O | 8EFDB0237FBA2CBE_46EC4A559C58D26D_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CNCC3C4CCNCC4)=O | 913258F170B160BC_A55795E2922B111B_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(C3=CN=N[N]3C)C=C4)=O | A810986C4095F134_10F6282F8802EDCB_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C5CC3(C4=CC=C(OC)C=C4)CC5)=O | F7C97C75E61C7128_AC16D5B07DEFA2C9_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3C4CC3(CC4)C5=CC=C(C=C5)F | 586F34089F4C0B94_D89E07CD2D507C78_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(CC)C=NC4=C3C=CC=C4)=O | 228F5D955BDCF4B6_13504F48718E64D0_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3C[C@H]3C4=CC5=C(C=C4)OCCO5 | 8070CD241A759E4C_52CFF0A7648C47FB_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)C4=CCOCC4 | 6F28BDDF624032A3_1F14D4F9EBCC30A2_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCN(CCCCC)CCC)=O | F991BC938C621032_D1CA1EB6709B4944_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34C5C6C3C7C4C5C67C#C | 978CE1396CF73032_E0015500EA7DF49D_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CSC(=N3)C(C)=O)=O | C496F2868822EC6C_6EB0CCA0D3364451_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=C(C)C3=CC=C(C=C3)[N](=O)=O)=O | B0EDBB7A61C72B94_5C00D58F5C2ECCB6_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C[N](CCC3CCCCN3)N=N4)=O | 222499D3E8AAE477_18FDE99DB703BBD3_6038_DP | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3C4CC3(CC4)C5=CC=CO5 | 739B99CA61CB3600_69E0B613771AD38C_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@]3(C[C@H](C(O)=O)C3)C)=O | 64B5E6DA9C625C3C_F85E7959A4DF631D_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(CC)OC(=C3)C)=O | E9E8A5AA2893E8B5_0F1B3EDECE597F91_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=NC=C3 | ADEBCA3C551A36A0_7802B92E61798930_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C(CC)NC3=O)=O | E14A18D1F830FF2E_7631990508E2F377_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(CC(C)C)N=C(S3)C5=CC4=C(C=CC=C4)O5)=O | F8DA68F126C1FB3D_493609D72838875C_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=N[N](C=C3CN4CC(OC)CC4)C)=O | 7CB1FCAF96DB5550_FD3108C9B357DB58_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CC[C@H]4C[C@@H]3CO4 | 2D5E32D8936F57D5_E398C69333EE9DC7_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@H]3CC[C@H](CC3)[N]4C=CC=C4 | 5A0C42466641AB58_90679D487E86BC0D_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C3=CC(=C(C=C3)F)C)=O)=O | A624A0621112291C_29A0E099E90A4BAD_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)C[N]3C=NC=C3)=O | 95A1C3F35A473773_5DEF604D3C9FADD7_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(C=C(OC)C=C3C)[NH]4)=O | 9D08DA62B25EB71F_326E830407EA150E_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN=C(N=C3)C4CCCN4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 3CF5070D7E306A2E_8FEADF4345CF675B_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3(C)OCC3)C=CC=C4)=O | 09DC46239203C7CE_1CFE07086FE18BA9_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H](C)NC)=O | 2B94B80A7F22BC0E_8138A1C994FFA72E_6038_DP | 20 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NOC(=C3)O | 3CEB6B0ECD392AE4_8C5F1CE0EABF08CD_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC4=C3[N](C)N=C4)F)=O | 14C2A85A7F15631F_E2C09DB191B95930_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C4CCCC[N]34)C(OC)=O)=O | 642E21AA05A8991E_3BEAE3FF4E75E1B4_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 | E084104A6DA8A5AF_7AB952520516B8B7_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)C4=CC=C[NH]4 | B81E99F12092087A_5CEDEC8E21B9FCE9_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN4CSC(=S)N(CC3=CC=CC=C3)C4 | 6720A50E8B69B910_01359481E0C5FA22_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)C=CC4=C3N=CC=C4)=O | EBC543D120AC3BC0_C6259CC858949FCD_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C3=C(C)C=CC=C3)C4CCCC4)=O | D94A0783AE28549A_99C0DB8C921ADB43_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CNCC34CCC4)=O | BF25A8CA41F86178_0564CD0803E31F08_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=NC(=N3)C(C)C)SC4=CC=CC=C4)=O | 7DD213E14DDC63C0_3F3C0764D74D872E_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN3C=C(OC)C(C=C3C)=O)=O | 1CC79A974216A6A8_7EA79383F9199C32_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C[NH]3)CN(C)C)=O | B0E4523B1E473A49_1235AE172198790F_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@]35CC[C@H]3CN(CC4=CC=CC=C4)C5 | 39CC2FD4B69FD592_4B50DA5C8B52F7BE_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[N]3N=CC=C3C4=CC=CC=C4 | E28637EBA94E0CA5_A5DCB4C8B712336E_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C4=CC3=C(C=CC(=C3)OC)C=C4)C)=O | 2588A68D5A8ACE5B_9256C91068E96EF6_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CCO[C@H]3C4=C[N](N=C4)C5=CC=CC=C5 | 095F4E8E52A9EE34_4988AF3EAFFF13A0_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(NC)C3=CN=C[N]3C)=O | DA71409C3281778D_5465C0DF976381A3_6038_DP | 25 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.