smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(CCCCCCCCC)C | 08160BC770240C4B_56742A1EE449246C_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[S](C4=CC(=C(N)C=C4)F)(=O)=O | E3FEEF904DF19139_D3FDD71DAF314224_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=CC(=CC(=C4)Cl)Cl | 7ACB7E1BD18DF737_7C9AEEA514B38C74_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC)CC | 538C28A0321A2BFE_9F3A5E80DA3D3040_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4N=C(C(CC)(C)C)C=C4N | 080A56BE69CB65FC_3E4D4C35C34A52BD_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(C(C)(C)C)C=C4 | 175192F8592C3788_4E61866ACF7B0787_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)C4CCOC4 | 061AE46C1F677500_A4BE73E89A3D32FC_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC#CC(F)(F)F | 53EFD7101AA65D42_BC82C47679372199_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=C[N](N=C4)C5=CC=CC=C5 | 830FF98775CCC3B0_40ABB399CC21FE52_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C(N)C4=CC=CC=C4)CC5=CC=CC=C5 | A5CCC24958044152_42015110C8448A68_6031_UN | 36 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[NH]C5=C4C(=CC=C5)F | F6E3869850C9E25B_66638FF4CFCFE85B_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=C(N=CC=C4)Cl | 0039650B3C552074_6C926AD79AE54C6A_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)C4=C(C=CC=C4Cl)Cl | 8AA786CB650C6D69_88ECC6FC4715DB13_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[S](=O)(=O)C4=CC5=C(C=C4)NC(=O)O5 | C67B569C5F08B836_A1A5B39FACD82B89_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)CC4=CC=C(C=C4)I | 3B53EDB32253F2AE_7F4A06A05303997B_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CCC(C)(C)C)N | B5128EF0E0696CB6_32D4281C64D20C67_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCOCC4=CC=CC=C4 | E2B8D64F358CFC49_17BC4FC385FC34A2_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC(=NS4)C | 13E16AAB944AD766_E6F7BE8D050CED11_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(C)(F)F | 4D570FF6A80D2A4A_2C08837F909228F8_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CCOC4)NCC5=CC=CC=C5 | EA3970C8845F1031_315357A6B03F4EDB_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC(C)C4=CC=C(Br)S4 | AFC84D5B1C474226_65F1C6D4A2C2F320_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CCN(CC)CC)N | 137EF612EBB32F0F_F604F0B91F82CDD9_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4CCC4 | ABEBDEF7E947E2D4_4AEBD97EE752F8A9_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CCCCCCCCCC)CCC | F01824403CF8896C_5247BD1EC987EAD1_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=C[N](CC)N=C4 | 0C488A150C14D114_4457EBDB2B990241_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCOCC(F)F | A1F4553B75D1F70B_1B1BFDA71D451577_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4=C(C=NC=C4)Cl | BF33358DF30A98BF_CC7FE5AC68342BC8_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN(C)CC4=C(C=CC(=C4)N)Cl | 7CAF673662BBDF53_698CD38521BDA9A5_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CCCCCCCCCCCC)C | 17D7B1FCC296F60B_38DC65BF2AD20E92_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=CC=C(C)O4 | EA2963B55F1C8063_5B43D95C365E3757_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC4CCOC4C | 18A343086992C233_CD3DFDFDF5045033_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)C4=C(C=C(C=C4)Cl)C(F)(F)F | 0683FA6D2015F616_AFD6CEDF51983E89_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)C4=C(C=C(C=C4)Br)C(F)(F)F | 460097D238987CD5_DF24668CFC6391E4_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC(=C4)Cl)OCC5CC5 | 290BB99ECB27A2C8_D3EE570C74BC5D39_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4CCCCCC4 | 8BA58096EFC46B97_38C5DE75B82CEC41_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC(C)C)CN | FB726E6C798F77E0_DA46FBB0099874ED_6031_DP | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CC4(CC4)C5 | F4C576237FEAB1E4_46CDDC50886F331A_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC(=C4)NC(OC)=O | F409CC4AF45AC4C9_6CFCB82374F33620_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CCC4 | 67BCB706D50FBE5C_67AC948F6DF6E34E_6031_DP | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC=CCN | BB612C8BFC038F17_5919247C5D80C57E_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(N)C=C(C=C4)Br | 7C9CBD96541B080B_1240FB915076854F_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC5=C(C=C4)[NH]N=C5 | 3BCA21D6889F0F6C_44016C04DD97A820_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC4=CC=N[N]4C)CN | 27581537AB2305BE_D736E8AFE17D8E49_6031_DP | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC4CC5CCC4C5 | EC481942F76F6984_0B21FCB78A1D3CFD_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=C(C=C4)Cl)[N]5C=NC=N5 | CD3E09B895C5640C_484568AB9B7317E5_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C(=CC=C4F)Br)F | 0540F9DA3CAC444D_D694D281B3BBA6CC_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=C(C=C4)I)Cl | E81B61F3C4F68CBA_1BCD7909F09260D3_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)[S](=O)(=O)C | 259BFB8E2A1C7AF2_08A63F0F9CB105A2_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCN(C(OC)=O)CC4 | 621FBF853C746C08_AA7CB6F7CB3346C4_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC(=C4)SC | 6593AE3ADC053A9B_722B97DB73C42D28_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=NC=CS4 | 39FDEA0CE1BBAF6A_23225CBEA4160A4D_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C4CC4)C5CC5 | B40162EB58374C34_63C09161D360D7D0_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4=NC=CC=C4 | 960FB919C93BFBC5_C8FEC40BC169B8AE_6031_DP | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOCCOCC4CCCO4 | F0766A7C051669BB_6566C211BF9374B7_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NOC5=C4CCCC5 | 53ABC272564625FA_846E9A6AE2FC3B52_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CCOC)N | F3C184FB0A4C6F26_DD4FF80680EDE160_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)=CC4=C(C=CC=C4)C(F)(F)F | EF4A89189FEE5B33_B1162686ECCABAB3_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(N)CC4=CC=CC=C4 | CE6D2DFA2CA5E717_1629973BC12FB32B_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](C(C)C)NC(C)C4=CC(=CN=C4)F | EB635EE54800C894_81D1F502CE127CD2_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CNCC4)F | E549FB05CEAD05F8_CB0812B0EE81A3D8_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC=C4)SC5=CC=CC=C5 | 68CF80A19F647564_93927CB83B05EF13_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CCC(C)CC4)NCC(F)F | F97B05FCC63CE617_6ED8D6C9491CB78B_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](CC)NC4CC5=C(CC4)C=CC=C5 | 28821B496C88B9F6_14A7E6A13D727074_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=COC(=N4)C(C)(C)C | A08998B17B11D493_6168039270AE0841_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOCCNC(C)C | 3D7F40157DD431D3_7A33CB87B5CB6F12_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCC4=NC=CS4 | FEF78D161E6307B0_896A848305F4333A_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CC)CC4 | D12E746037B874C8_556F1DD3BA2C54BB_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C(C)C)CC4 | ECE86DBFC0537D02_92BB24CFFD28AB4F_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)CC4CCCC4 | C32FEA54BEE0E149_D9A51D303389989B_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H](C)N(C)C | 67685100DDE99627_678B2D3A27C64FCF_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CC(C)(C)C4 | D0A1D33FBAA4B296_403AD0CFC219C0FD_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4(CCC#C)OCCO4 | B7C1CF76E34E038E_5941BD1E697C9413_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C[N]4C=C(Br)N=C(Br)C4=N5 | 45903D9CC548F96A_A1BF9EF9E3A74B37_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CC(=C4)C(F)(F)F)[S](C)(=O)=O | 8BFCFABF64348252_8F82E0195B78D201_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C(N(C)C4=NC=N[N]4C5)C | 2A1422F5FF6D222D_709A956ADEF601BF_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[NH]N=N4 | 83705B01E37B4909_B60E77A7F4DBF56F_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC(C)C)C | 644D488D6DC57681_51C83F4427CAB5A6_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C([NH]4)C)C(OCC)=O | 0A1D90D5010AF536_E76AF851104CBCD3_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC(=O)NCC4=CC=CC=C4 | AE1B2FABA8BF8822_F251EB99809A81C9_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C(N(C)C4=NN=N[N]4C5)C | F0858E85BECBE459_AD2555A8267B65F3_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCN(CCN(C)C)C | D0CBE897CD996B3C_498AA3385FF9B1FF_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCCCN4CC5=CC=CC=C5 | C4690A450AF0E931_B2FE41EC1824D9C8_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CCOC5=C4C=CC=C5 | 8F6F712220EE1D48_B2F000F6305701BB_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CCCC5=C4C=CC=C5 | F4115ED55CD3E5E2_630B1F0151522697_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)C4=CC=C(C=C4)C(F)(F)F | 7E85937FCE95C4C4_773ACC6940DD79C9_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H](NC)C | 9DCD6C821DF5F4E5_6C6726006D5E6C91_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4=CC=CC=C4 | 8CF5E6DE4362468E_A1A4983EB8DD2BB3_6031_DP | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)N5CCN(CC5)C6CC6 | 5C9B17B5F034AD70_71015BB082372E80_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C[N](C4=C(C)C=CC=C4)N=N5 | 16178C3DA80FCC2E_8FD627E69E900875_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(F)CNC4 | D85EBAF4E49B6E1B_69BCFCF7AEF37649_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4([S](C)(=O)=O)CC4 | 7588821B034E15B0_6888114B55A0301A_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(COC)CC4 | 0704B85394961E68_8E3F47533A17BFDD_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(O4)C(F)(F)F | 39C0B26E22B76932_EAD8B1D08A105C99_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)OCC4=CC=CC=C4 | 60D9CA35275829DE_2F94ED078F486B36_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](C)N(C)C | 81D2A83C0AD72977_1A4E567858A6A7CC_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=N[NH]4)C(F)(F)F | 16105941FA5DB0DF_30798230DFC6971E_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(SC)CC4 | 184E6A0BC7E64F9E_9AF9297B708711A1_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](C(C)C)NC(C)C4=CC=C(C=C4)Cl | 1045D7625160DC95_7A223B8D89E00639_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C(OCC)=O)(F)F | 4B5425F30F1878CD_3E93E3CBD7465DC9_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC5=C(N=N4)C=CC=C5 | F2D5ABBCCEBA0EB2_89B507899A2049D5_6031_UN | 30 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.