smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C34CCC(C)(C3)CO4)=O | 1EF43960DC733178_C775EB036181865B_6038_UN | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4(ON=C(C3CNC3)C4)C)=O | 56A1D7B18693EBAD_E10AE3116F3ED948_6038_DP | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C[N](C)N=C3C=C4)=O | 19CBE6F77A6BB533_127AFB046F5DA6AB_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CC3(OC)CCCCC3)=O | 6E54A87F9AA0BA5C_57442F6767DAE15D_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4=N[N]3C=CC=CC3=C4C)=O | A8E969E1C1A82F41_26F82EB1591ACA48_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)[N]4C=CC5=C4C=CC=C5 | 07F5BBDDE65894EE_956B578C009AF4FF_6038_UN | 33 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=C(CC)ON=C3C4CCCOC4)=O | 5406AF0CAE26EAE1_7BCC628F1C94A7D8_6038_UN | 31 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NO[C@@H]4COC[C@H]34 | 813DF8E01974D373_73BE9857016010EB_6038_UN | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4(OC3=C[N](C)N=C3)CC4)=O | D52247D73CA6EB21_9BD272F08DBCE884_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C(C)C3=C(C=NC=C3)C)=O | E778089C1D785F03_B1EED48AC615A3FC_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C=C(C3CC3)C4=CC=CC=C4 | A84E2DBB35F0A6D7_9AB51E441ECF53EC_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3[C@@H]4CCCC[C@H]34 | 8830DD4C09B435C1_AB016DAFBDAEF00E_6038_UN | 25 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3CNC4(C3)CCCC4)=O | 2BAA52A9B63F1647_3AA067F0DBD4AD32_6038_DP | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N]4C(=N3)C(C)CCC4)=O | 6E0DFBC7BC7056F5_64161E4E0EA37946_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3OCC(C)(C)C3)=O | D7E977D701E7F290_E756EEC6FAC7AD00_6038_UN | 25 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@H]4[C@H](C3=C(C=C(OC)C=C3)F)CN(C4)C(C)(C)C)=O | 6B9445870D1A7CD9_FE969CF167B138BC_6038_UN | 36 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)CC4CC3OCCC3O4 | 7A2FD3267BF66ADA_CC94AE73568B5067_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3NC4(C3)CCC4)=O | EBEF6FB5810EF1B8_8059DF71431F03F5_6038_DP | 25 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CNC[C@H]3C(C)C)=O | A76ADDF7669D7C94_E5603C9455D73020_6038_DP | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CC3(CCC3)CO4 | 8B5A518279C64907_EEAAF3D1B712ACBD_6038_UN | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4CC5C3OC(C)(C)OC3C4C5)=O | 91A015F94FAD90C5_6670F24AE5614FBF_6038_UN | 30 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CC3)N4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | B64C384A6F122CBB_7300390C0CF7CFB6_6038_UN | 44 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CCCN3[S](=O)(=O)C4=CC=CS4 | 28CC8775252BA5E7_7DC3AFBEA9E896C3_6038_UN | 31 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@H]3C[C@@H]4CC[C@H](C3)N4C5CC5 | C8627193CDB4610F_2FBFD393BDA90534_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=NC=NC4=C3N=C[N]4C)=O | 89EC4B33C2A9CB06_F1E3F5985B6DAA58_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@H]4[C@@H](C3=NC(=NO3)C)C4(C)C)=O | F372E3AD83D13088_1467FD7C84C8EC49_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@]34COC[C@@H]3N(CCC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 17DB46BBE4544AD9_661E513A2D287C64_6038_UN | 44 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C=CC4=C(C3CNC3)C=CC=C4)=O | 84351609E2C85181_DA8488DCA6B689A7_6038_DP | 30 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C=C(COC)C)=O | 5830B8E7BD002A9D_461A52E121D258E7_6038_UN | 24 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=N[N](C)C(=C3)C4CCCC4)=O | 0551134FE54CDB49_16ACAF15FF7CA611_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3C[C@@H]4CC[C@H](C3)O4 | 6A9D93F2007A88DC_199A1AD83A6FFAE4_6038_UN | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCC#CC3=CC=CC=C3 | B6DDAF1CEACE0DC8_ABF48D87967B9418_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3COCCC3=NNC4=O | 1374064A2A98CAF9_078844CFA16E9B78_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3C4(CNC3)COC4)=O | FD14933ABDA52ECC_72DC54253863637B_6038_DP | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=C4C(=C(C)C=C3)N=CC=C4)=O | B9B056B4BA3E0E16_8CF960E2331497E6_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C(=C3F)OCC)F)F)=O | D031958AD4E1F9B0_FA562DDEA9DCBCC3_6038_UN | 30 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CN([C@H](C)C3)C)=O | 3D040C3AD437AC1F_5DD8B7A186637D8A_6038_UN | 25 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C[N]3C=CC=C(F)C3=N4 | BC18101652CAAE25_598681A428D8965D_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4CC3CCNCC3CC4)=O | 1FB21C18F7E7FD6D_8143750A8A50E379_6038_DP | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(OC3CNC3)C=C4)=O | 626F16518BDD48CC_5135F5077EAFF255_6038_DP | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3C(CCN3)C4=CC=CC=C4)=O | 329942BF5B14CA2A_6CF0A819C135EED1_6038_DP | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CCCC3=CC=C(CC)C=C3)=O | 7F54AC26D9045CC7_3B3702B637EC960B_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC(=CC=C3)C4=CC=C(C=C4)F | 349731EE1E74EA41_BC597DF8A9457198_6038_UN | 31 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=NC=C(CC3=CC=CC=C3)S4 | B06EAB44A6B0084A_3AC7F6078D1D0F78_6038_UN | 30 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C4[N]3C=CC=C4C)=O | 7B00341ED3CFA355_6D1875B41DCFE698_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C7CCN(C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)C6(CCC6)C7 | 30FAF3D2D382F09A_35B791DB81C14C6A_6038_UN | 44 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CN(C3)[S](C4)(=O)=O | 5AB16DD6035265F0_FE5B683684FC653B_6038_UN | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CC3CNC4(C3)CCC4)=O | 79F306CF23CC70E2_CB5D94274126AAE2_6038_DP | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CON)C=C3)=O | 96250CB6467DB699_A07011A7B4272E47_6038_DP | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(N=C(S3)CC4=CC=CC=C4)C5=CC=CC=C5 | F415C81C28E64E2A_2D5C5EB85EAA3E02_6038_UN | 36 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C[NH]3)C)=O | 60A747EE49F96F8D_9071C70813BCDA7B_6038_UN | 24 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(N=C[N]3C)[NH]4)=O | F7153CAF7E84FE0C_1A5C83418E20549B_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3C4(CN3)CCCCC4)=O | 577F9C6E88A6E321_DBBFF831614AF259_6038_DP | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3C[C@@H](OC)[C@H](C3)OC)=O | FC342077DE1753DC_86F58A617C03CEC4_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=NN=C4C=C(C)C=C[N]34)=O | B51AC0395DEFC1A2_5A231959747DC721_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(N=C(C)C3(C)C)C=C4)=O | 61F74F1E6A70B75D_01D0AEA90AEDC3A5_6038_UN | 30 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@]34CCCN[C@H]3COC4)=O | B1012C8FE94BF29E_DE5F9146392F8781_6038_DP | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=CC3=C(C(=CC(=C3)F)F)[NH]4 | BE2BEEB4B10CE93D_DFA7D6398C867711_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)OC)OCC)=O | 16F82B30F35C1B2F_6886FC553F9B9BE4_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C=C(C)C45CC3CC(CC(C3)C4)C5)=O | 3DAB7352A5800C03_CEEB964F5330D4B7_6038_UN | 31 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C(C)=CC3=CC=C(C=C3)C)=O | 943A74E10B49FA4F_09B4CE2A2A9C4DE4_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C4C[C@H]3OC(=O)O[C@H]3C4 | E275E5FA5BAE0FAC_76ADF63DC2005328_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=CN4C3=NCC4 | EB80B61AF607E727_6F79127CF63A9802_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CC(N(C)C)=O)C=C3)=O | 34EF1179ED4ADC21_4572DDC71172AF39_6038_UN | 30 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N]4C(=N3)C=C(C)C(=C4)C)=O | 5BC8C73E68C2C478_8858793E82FCFD21_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(COC3CCNC3)=O | 9F88BA72709AE5E7_770C2A029EE41F0A_6038_DP | 25 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3CC4CNCC3O4)=O | B16FE59AF636E1E5_654825519781CBA5_6038_DP | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C=CC(C)C)=O | C173D21B93FF07E6_7C3A3FCD6DD12113_6038_UN | 23 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3(CNC3)CC4=CC=CC=C4)=O | 43A4CD8066EE9C68_D05B306C44A69007_6038_DP | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3C[C@@H](CN3)OC4=CC=NC=C4)=O | EB3E25E2F6708834_A85F12E1244AF3F4_6038_DP | 30 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4C[N]3C=C(N=C3C(C)C4)C)=O | 3E50D27E30E28B5B_CCB4D351FB872076_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=CC(=NC=C3C=C4)C)=O | FA1421C2874E155A_731A14B09C5FCF1D_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C#CCC3CC3 | 5FD331390794292C_D129DAFA498ECB51_6038_UN | 24 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCC(=O)N3C4CC4 | AC148A81E3B5B143_E6BFC1486B17834C_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3CN(O)C(C3)=O)=O | 2130036FBA8678B9_A1ADDD2AE04047B6_6038_UN | 25 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=[N](C=CC(=C3)OC)=O)=O | 40BAE0517E087F6E_EE937A2FD911F4CE_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CO3)F | 53A00C398645521E_895A653D366C0A48_6038_UN | 24 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C4=C3C=CC=C(C)[N]3N=C4)=O | BFF95E3A820DE816_6D851836EB7017ED_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3(C(OC)=O)CCNCC3)=O | 06218C765D98EA87_AF1B1B6BF6C2B962_6038_DP | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CC3CNCC(C)O3)=O | E81BFB9E9BF38CDF_F65B87436B43CD04_6038_DP | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN=C4C=CC(=C[N]34)C#N | F64EE0C0E793B562_71C1C2E276E74638_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3C[C@H]3C4=CC(=C(C=C4OC)C)OC)=O | 310BFE5011D43220_4AA76CA8C497B144_6038_UN | 32 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)SC(=N3)CCC4=CC=CC=C4)=O | E786250F80BD9312_97D52EF080853EC5_6038_UN | 32 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CCC=CC)=O | 341FB6B79FBB6141_5E3F973C7337F4EF_6038_UN | 23 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)C[S](=O)(=O)Cl | 449492F003ABD9AE_FE74EDB81E175FF9_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3=NN=C(N)C=C3)=O | 778AD81E36A4C0F6_5346AC1A8A582D2C_6038_UN | 25 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CC3(OC)CCOCC3)=O | 7161C51E8C006686_DEE62F6F393E7E5B_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C(CCCCCC)(C)CCC)=O | 82C3239C2EBF8CE8_07EED2985940F0CE_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC=N3)C4CC4 | B640EDFED453118B_EAE594652940DE55_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CC[N]3N=NC=C3C4 | 9812AF137764D7BC_3806238EC4DE2B9D_6038_UN | 27 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3C[C@H]3OCC)=O | 7B8011D7FF9940C4_603F25FE2A7709BE_6038_UN | 24 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CC3=C[NH]C4=C3C=C(C)C=C4)=O | D6826EE0E9F5843D_50870C2DE07CF612_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C(F)C4=NC3=C(C=CC=C3)S4 | 3F6075D228E9648D_B5E7C64356F75CE7_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C(C3=NC(=CS3)C)F)=O | 61ECD5CFF1CD8818_D7E6538FE78B82CA_6038_UN | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CC[N]3C=CN=C3C)=O | 56BE184DBF77985F_A97B824FC322AF16_6038_UN | 26 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CCC(C3)C5=C4C=CC=C5 | 3AB2DBE9AA6C4CC8_D07A8DEBC646B221_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3C[C@]3(C)C4=C(C=CC=C4)F)=O | 926E7EE0D48AB190_CDF491FEDFE40E9C_6038_UN | 29 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(CCC3C(N(C(C)C3)C)C)=O | 443F15E91FC3092F_6E6DCA3F4A993CF6_6038_UN | 28 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC([C@H]4[C@H](C3=CC=C(OC)C=C3)CN(C4)C(C)(C)C)=O | 274B0C72EBD443BA_0353FE044BADD88A_6038_UN | 35 |
CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC(C3N(CC4=C3C=N[N]4C)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 70AA4FF10F2FDDAC_F674D096D2ED78BD_6038_UN | 44 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.