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)OCC5C[C@@H]4C[C@@H]4C5 | B4BEAE15FE732FA2_155630FC3D9ABAAA_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4C[C@H]4C5=CC=C(C=C5)F | 62DD259EBD25DDD8_11E6475D88E5CB32_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(OC)C4CCC4 | 07FA9E28923CBD8B_C5E1A7BDCC002E33_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](C)N | 250F91E284678D86_864227F91A92188A_6031_DP | 23 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCSCC4=NC=CC=C4 | 1471A364164110D3_84F8EC0289D90A2C_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCSCC4=NC=C[N]4C | BB21CB0F16DF8229_3B198FC8B44DBBEF_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4CCCO[C@H]4C5=C[N](CC)N=C5 | 13EF25B60256396F_326502F1A9F4F059_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOCCOCC=C | 883357BD6E0107C0_2B53AD32F650F2C9_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CN)COCCN4CC5=CC=CC=C5 | 055C0BCFEE64377B_6A4C60B00F5440D5_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H](CC(C)C)N | EDC77A5D6BEDDAE9_F9D72DC5DAF40279_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)(C)C4=CC5=C(C=C4)CCCC5 | B5939697BD63AE84_0D76DBD445944E67_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CN)COCCN4 | 5E1FD034E77DE002_577DA3594797FC74_6031_DP | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4C(CNCC4)C5=CC=CC=C5 | 65791712EA901B31_C2D17581C67F338D_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCOCCOCCOC | 285CE4E3A7746346_23D187BB9BFC61D9_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4CC4 | F8AD9FCE3F95E609_023BB46ED037753E_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C(=NS4)OC)Br | BE5E88CC3EFCA5A8_68FCE37AA0088FD4_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCN4C(C)(C)C | D5A48BEE5DCE1039_DC50A692C5ED0CB8_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=CC(=C4F)OC | F36BFC5393C3D309_D83A7C0DD4F7650F_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(OC)C4CCCCC4 | 7DD432A5C8B597FC_9302DA73119CAC7D_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(OC)C4CCCC4 | CD260D0DA328535A_C78D7645D8CC7CB5_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)C4=C(C=C(C=C4)F)F | A21CAFA7360DAE66_84C3134499D0952C_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[NH]C(=N4)CC5=CC=CC=C5 | 1C911E9560D25D13_EB3AA3EC5BA632D2_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C4=CC=C(OCC)C=C4)N | 821BA2068921FCAA_440DC2DD8E4437BA_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=NC(=CN=C4)F | 6E6CD710E50C3830_CC041FF733D65893_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(C)C4=CC5=C(C=C4)CCCC5 | 0B778604FC38E8D4_F5DF93D0C33CC21A_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4CCC5=C4C=CC=C5 | 92938B8D3ECB975D_A766ED238B9878A7_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC5=C(C=C4)OC(C)C5 | 40A40F8539C5A1C4_04F9E245CF80B5FC_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(C(C)(C)C)N=C4 | 54E3FFBEB69DDB2C_94F8E10239B7180F_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C(C=C4COB(C4=C5)O)F | B22077B13D05341D_EF71CB369C041162_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=NN=C(COC)O4 | 4438881B4EEA000A_C10AAD759FFDF0CC_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC=CCC | 02F2DA750E785C65_46FF5BB1F8EC5C15_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=CC=C(C=C4)[N](=O)=O | E660FB5FF582E306_D35FC1B0A832531C_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(OCC(C)C)C=C4 | 5D2FCBFA767E1496_11F25C3F3C6EC51D_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=CC=C(C=C4)C#N | 5EED7C4F2649E903_48491DD339ED38A8_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCC5(CN4)CC5 | A6B5CE7BCF2069E6_41EED22FD057DAC3_6031_DP | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=N[NH]C=N4 | CD974C68F8D3D21F_CDB4D23406FF83D9_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4CNCC[C@@H]4C5=CC=CC=C5 | 39454A3A39154E09_43304D29C6AE0801_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C(CC)(F)F)(C)C | A26E934153A11423_D79205714E7CA1A9_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C4=CN=C[N]4C)N | A4D8B5C2608BCF1B_047E9888A991736F_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC#CC4=CC(=CC=C4)Cl | B32C484962EAE0FC_049659017E5DB0B5_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(N=CS4)Cl | 23EE66C8017EBA47_16F3DC8AD2F06475_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CC(N)C4 | B80FB17BCF689184_6C750D8AD41F3519_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4CCCN4CCOC | E33373747617C002_B8E447B3DAEA0D22_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4CCO[C@H]4C5=NC=C[N]5C | 1E220EF580AAC23F_1907AA41D4C8EE94_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4CCCO[C@H]4C5=NC=C[N]5C | E3679B3843692EFC_ED2EE97482FC4723_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NN=CS4 | 2B47D964FCAE98AF_36C327AE5D230CE5_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC(=C4)C | 4D994C506A53B11C_5FFF9D35A371F23A_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CC(C)(CCC4)C)N | 7F584F3375EA7738_C307EDA6E589831A_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H](N)C4=CC=CC=C4 | EE38DD29B7ED4CC3_161619B5101F9F8A_6031_DP | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=NC=C4)C | 3D0B3CCFD88E9D28_9A63218979C89CB3_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4(CN)CCC(F)(F)CC4 | D3C062771F7087B0_8A7301A5146E8396_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=N[N]4C5=C(C=CC=C5)Cl | 5CC300E9EA82DD48_972CDE5EA83E9E7C_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CC5=C(CC4)C=C(C=C5)Br | 4A03D0AF0355159D_9ABDEA036C0D2D7E_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(C(OC)=O)C=N4 | 426B16ABA7AF4DDC_ECE0D49CFA2BBED9_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC(=C4)C(C)C | F75639774F91C0C8_F42F1F54E4169858_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCCOCCOC | 19B2773403815C91_665A83F941809034_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NN=C(CC)S4 | 11FB820A245D8E85_7CAF11572C670E7D_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4CCN(CC4)C5=C(C=C(C=N5)C(F)(F)F)Cl | 40515BE63FA1A8E5_79F1B13A6B5D271B_6031_UN | 38 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCSCCCCCCCCCCCC | D217B6B4D6FD7DE8_33F6DEC94AFD7D67_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC(CCC)C | D598FDB631F74EC0_87AF213DF278F4F2_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=NN=C4C)C | 9984CF1CE6F36792_078AA72A572DC1A0_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=C(C=CC=C4F)F | D3073DE3D6162BB5_7CE2D2D397C965C3_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H](CC)NC(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | A703BB26BEA9E15B_5791F9CB37980D70_6031_UN | 41 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC4=C[N](CC(OC)=O)N=N4 | 783F3688FEE08E4A_10B1CCBCA7084E55_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)(N)C4=CC(=CC=C4)C(F)(F)F | EF1505F26FF6C9D2_DEA0B1620DA1A8A6_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4NCCN(C)C4 | 410DCD8F66BFDD01_9D31164917EEF852_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4C[C@H](C)CCN4 | BD09AAAFD646AB0C_63ECDF91CD17123C_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC(C)N | 6E49E786B9842219_AC30710DABF21639_6031_DP | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](CC(C)C)NC(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | E1F36988A3A1A62E_ADA988ECC84B32D5_6031_UN | 43 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=CC5=C(C=C4)OCC5 | A2281E37B0C14DF2_DC5A259FB69CEDE7_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC4=CC=CO4 | 0413D3D8BC1ECF02_0158523557309184_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCN | 7627179EE3D3390A_6DCAD8B2B01E8AB0_6031_UN | 23 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=CC(=C4)N | C923AB7883C33261_5D99DB8EF67EA6F1_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=NO4)C5CCNCC5 | F3FE1A08E6BB99A1_13139AC39092C7D0_6031_DP | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NN=C5CCOCC[N]45 | 8B5F81EEFE085941_EBAD889B3C3B4D67_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCC(C)C | B9D1E666868421F1_9FE8946D6A46E430_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCN5C(=O)C4=C(C=CC=C4)C5=O | 7FEF311FBDA78A88_F6FC2B6455EAC25A_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=NC=C4)OC | 4B45AB4A82B3239C_7F7C1A52E9CE265A_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C(C)C)N=CC=C4 | 87A917585DE5CEC0_6FAED350F0D9D183_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4CCCO[C@H]4C5=C[N](C)N=C5 | 052CDBCDB9C4AA07_F10A4092555C25D6_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=CC(=C4)OCC | E3F048F997F0716C_15AC88865685DA34_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(CC)N=CC=C4 | C5F8E0AE700EE42E_B3BB9DDEB68D9628_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C)COC(=O)N4 | 0241E0A7CD3B489F_20B95BA6BD051BF0_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C(OCC)=O)CC4 | E87CDBAF359A631E_CCDA4EBBDC94BF21_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CS4)COC | 5232BB0CAB5FB61C_C314B95E6AAED63D_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4C5CCC(C4)CN5 | A91BDE9BF7D94167_BAA27C22E30D3307_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=C(SCC)C=C4)Br | E4DDEE4AC9591B26_E3B631CCAD1E045F_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=CC(=C4)Br | 208444E101196D97_2DADA57B8EC4CD1E_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C(=CC=C4)F)OC(F)F | DA5E8BC0B589F064_74BE2E158B2BA68E_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(COC)CCOCC4 | 6F95EBCCD74FC0FC_7EA33E1A03D98B9B_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC#CC4=C(C(=CC=C4)F)F | BAAE15D04955D116_4E977101312DBD99_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC#CC4=C(C=CC=C4)Cl | 15F01C216873E54C_FB193F541CDDECAC_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC4=CCCC5=C4C(=NO5)C | 7725E775D027D6E3_DF1837C4E0BE3B9D_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5(C(N)C4=CC=NC=C4)CCC5 | 17F0EFC054123665_98FB7BBC5A55ED09_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CC)COC(CI)C4 | 20D694B39F21B2DE_EE21E05707416B80_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(OCC)C4CC4 | 37464156CECAA0AD_7B8BE9DB61CCB781_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCSCC4=NC=CS4 | FA41DFD3007B1C9B_F10ED9EA45FC6EC3_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCCCC4(C)C | 9A23B7DBF4BBD191_255F28DA930898D9_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CC4C(C)(C)C | 3AE999898FAA3997_47CAE2F8DDD664FA_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)C(F)(C(F)(F)F)C(F)(F)F | 311A4685F2D18FB9_87B455775FC69F51_6031_UN | 36 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.