product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"0AF26949A8A7D162_ADF2B06A60A1C74A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C=C1)F)Br" | 21 | "B8E727524D67CD59" |
"B3EF276A47128C36_19FE1080D948AE01_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(OC)N=CC=C1" | 21 | "B8E727524D67CD59" |
"3404491FE9D3CE74_484FF81C3A5F96DE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(N)C1=CC=CO1" | 21 | "B8E727524D67CD59" |
"B0286D4108C9AE42_499AB29BE7265251_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CN=CC(=C1)OC" | 21 | "B8E727524D67CD59" |
"0316A289A7D4A7DF_D320A57D6E0027C5_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1(N)CCCCC1" | 21 | "B8E727524D67CD59" |
"0CA3FB2E76F55100_8F0B30CE020E853C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(NC)CC(C)(C)C" | 21 | "B8E727524D67CD59" |
"C43789E1EC487BBC_774646DCB713A8D3_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CC(C)(C)OCC1" | 21 | "B8E727524D67CD59" |
"EAD346893636DEBE_C7690F042132900D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C[N](C(C)C)N=N1" | 21 | "B8E727524D67CD59" |
"671056FD46B76F20_908804F4FF0F8AB2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC#CC1CCCCC1" | 21 | "B8E727524D67CD59" |
"ADF1A7FBA42481C3_8E18CC91617D468C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN(CC)C1CCC1" | 21 | "B8E727524D67CD59" |
"9CD1E0F58B305154_680F933273A44282_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)C1=NC=CC=C1" | 21 | "B8E727524D67CD59" |
"26411DB8893D7C0F_5E41EEDAFCA4D592_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=COC(=N1)C(C)C" | 21 | "B8E727524D67CD59" |
"2EAC908A1D641E42_1F2D1448DF8F47F4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=NC(=C1)F)F" | 21 | "B8E727524D67CD59" |
"E76E70790B98782E_532BF21EC6A38CDF_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCN(C)C1=O" | 21 | "B8E727524D67CD59" |
"6CC2DC7A7573C919_9803082A4A7F93C7_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=CC(=N1)CN" | 21 | "B8E727524D67CD59" |
"A7BDFB362067F0CC_3A0AC97CFC53B776_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCC(C)(C)CC1" | 21 | "B8E727524D67CD59" |
"D8836BDDA36385BB_8E7E45D6C274253F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CC(C)NCC1" | 21 | "B8E727524D67CD59" |
"9EDC2046F5A09D73_32590AF90A5C5DBC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(NC)CCC(C)C1" | 21 | "B8E727524D67CD59" |
"C487E5A5E728A641_3F580FE655E3495A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=CC(=C1Cl)N" | 21 | "B8E727524D67CD59" |
"98D85574CCB0B942_3FA5B394744AD3F0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCN(C)CC1)C" | 21 | "B8E727524D67CD59" |
"2E47D51DC358C81E_817F93351EA3CFE8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)NC1CCCC1" | 21 | "B8E727524D67CD59" |
"D73187D7A51622ED_AC33C18C717E81E5_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(NC)COC(C)C" | 21 | "B8E727524D67CD59" |
"08DE1F598D757E8E_07C050A66CFDB72C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C([NH]N=C1C)C" | 21 | "B8E727524D67CD59" |
"4F40930B0307921B_209186AAA15A6BA2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=NS1)C(C)C" | 21 | "B8E727524D67CD59" |
"FA1603CBDE38D3C9_F8FF614F4D705919_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1(CN)CCOC1" | 21 | "B8E727524D67CD59" |
"AD4A52B3DEF53495_DE8D3AEAC4A4CD39_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=NC(=N1)C)C" | 21 | "B8E727524D67CD59" |
"183FC3B7D83D870D_742B43883603AD7D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C1=CC=C(C)S1)N" | 21 | "B8E727524D67CD59" |
"721B0B8D3BDD2115_1F919189F54BE64B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC[N]1N=C(N)C=C1" | 21 | "B8E727524D67CD59" |
"94AD623A2AC7B1B9_AC2B09E705E5C472_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=CC(=C1)OC" | 21 | "B8E727524D67CD59" |
"7D3088EE1CC0A934_7A08AEF7C08A9AD0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOCC1CCCC1" | 21 | "B8E727524D67CD59" |
"00C3A31EB094F7D2_305E3725E2001C3F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1=CN=C[N]1C" | 21 | "B8E727524D67CD59" |
"574F58B1F84E71E9_52B806B5ABF4F3D6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1=N[N](C)N=C1" | 21 | "B8E727524D67CD59" |
"54F6AEE45B788131_297E369F1F645F4D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCN1CCCCC1" | 21 | "B8E727524D67CD59" |
"CA7D7A49DF25197D_E822354635BE3BFD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC=C(C=C1)Cl" | 21 | "B8E727524D67CD59" |
"A6587EFD9F2C4FB5_864038BB0B1BBC11_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C)C(=CC=N1)N" | 21 | "B8E727524D67CD59" |
"1D3EA81EBBFCD238_DC6D62186C2B94D0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(C)C1=CSC=C1" | 21 | "B8E727524D67CD59" |
"17A766906147CE5F_FFDAFA2D30F8B0AF_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(COC)CCNC1" | 21 | "B8E727524D67CD59" |
"34EB64E02CB1A55F_5E51EBA103420716_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)(C)C1=CC=CS1" | 21 | "B8E727524D67CD59" |
"0705A950B695342D_42E4234DBEAAC354_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C1=CC=N[N]1C)N" | 21 | "B8E727524D67CD59" |
"227B0620C8C4C166_C6A079DAB964F786_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=NO1)C(C)C" | 21 | "B8E727524D67CD59" |
"F34639CA50BA9C85_F7F5ECD0F8C1C030_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCC(F)(F)CC1" | 21 | "B8E727524D67CD59" |
"F0C1111258D5128D_AA01F91BE8AFA633_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC=CC(=C1)N" | 21 | "B8E727524D67CD59" |
"B061668D27FACC65_F860A16F036ECA96_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=CC(=C1)Cl)Br" | 21 | "B8E727524D67CD59" |
"24A0A62727F8CE5C_E09B386E5A336413_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC=C(C=C1)Br" | 21 | "B8E727524D67CD59" |
"420FF4AB341B6286_FAAA1E6B93C39CA8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@H](N)C1=CC=CC=C1" | 21 | "B8E727524D67CD59" |
"8E93460D3BDB178B_78614D0B39D0D1FC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C[N](N=C1C)C" | 21 | "B8E727524D67CD59" |
"96C1D01621DD4CCC_0A6D984894024E77_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=NC=C1)C#N" | 21 | "B8E727524D67CD59" |
"9157D8590B1F9374_77624405E15BCD3A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1CCC(C)C1" | 21 | "B8E727524D67CD59" |
"A4C8C7896A19A62B_6151B0877035D5FD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1=NC=NC=C1" | 21 | "B8E727524D67CD59" |
"20DE3F39C1B6809B_68C2E6D6F2B9FE3B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C=C1)Br)N" | 21 | "B8E727524D67CD59" |
"439A54CB924E8568_D0355076BB798446_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC2=N[N]1CCCC1=C2" | 21 | "B8E727524D67CD59" |
"766C07DEFCF9BE19_09D56670CE8099B5_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)C1COCCC1" | 21 | "B8E727524D67CD59" |
"FB2F6574932DD3C3_B5B0393681AAEE27_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C)C=NC=C1" | 21 | "B8E727524D67CD59" |
"F6806F78FBF9C3FC_2E1B6AD385FD2556_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)C1CCOCC1" | 21 | "B8E727524D67CD59" |
"00FE98CF410DF4EF_A70A6B3FFFA8A65E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC=C(C)C=C1" | 21 | "B8E727524D67CD59" |
"5B2ED4B1D46A1486_74DF4AED101939ED_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1=NC=NC=C1" | 21 | "B8E727524D67CD59" |
"3767738062F4922D_6094BA11C11A1F29_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCC1)NC2CC2" | 21 | "B8E727524D67CD59" |
"8123F31D97295229_C065E78019851AE9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C=C1)Cl)Br" | 21 | "B8E727524D67CD59" |
"3A9762C54D459C3A_94B9A41821FCF5BA_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC(C1=CSC(=N1)C)N" | 21 | "B8E727524D67CD59" |
"BF6D8D3123A5E75D_8D591C54BB7C4B67_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC2=C1CCC[N]1N=C2" | 21 | "B8E727524D67CD59" |
"EF851C9DA5485DE6_3F59FB7A75460931_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=C[N]1C(C)C" | 21 | "B8E727524D67CD59" |
"EA9100C5D7DC2967_DCED1F11EA60BCB4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCCNCC1" | 21 | "B8E727524D67CD59" |
"F55BF73C398327EB_7EB6230E5ADFB0B4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CN(C)C(CC1)=O" | 21 | "B8E727524D67CD59" |
"B8D8A0D39E37F987_F5168FD9679BA84E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(C(OC)=O)CCC1" | 21 | "B8E727524D67CD59" |
"FE19671CDEF7097A_64E3D24F87C5481A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC(=CC=C1)Br" | 21 | "B8E727524D67CD59" |
"85095B206FC548DF_A084F72782E9B987_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CNCC(C)(C)O1" | 21 | "B8E727524D67CD59" |
"BB7D7FC21F80E1A6_3033466D82DDB9E4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CN2CCC1CC2" | 21 | "B8E727524D67CD59" |
"508C08AE0E117BA0_015BACA3309AF007_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(COC)CCCC1" | 21 | "B8E727524D67CD59" |
"3D61C150BA7D18D6_984AA1272B681750_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@H]1CCCN1C(C)=O" | 21 | "B8E727524D67CD59" |
"E0FA68F9DF830517_43FDE435596FDCBC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOCCNC(N)=O" | 21 | "B8E727524D67CD59" |
"898A4F3E9DC07057_DD574082B0AD1CC6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C(=CC=C1)Br)Cl" | 21 | "B8E727524D67CD59" |
"F75121154A0D6011_3D5B8FB3D4280C05_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC=CC(=N1)C" | 21 | "B8E727524D67CD59" |
"4D47304133723787_148DDBBB523E672B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=CC(=C1)I)I" | 21 | "B8E727524D67CD59" |
"A95B244D021A498F_7B10D8A7549E3204_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=NC=C(C)C=C1" | 21 | "B8E727524D67CD59" |
"52C7C88563E37CCF_D529591F9CC100F1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)C1=CN=CC=C1" | 21 | "B8E727524D67CD59" |
"5E10F98C3F1C2210_0051BBDAF00BEAA4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=CC(=C1)Cl)I" | 21 | "B8E727524D67CD59" |
"6EEC2E9C322BCF0C_51B87FE091A51AEE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=CC(=C1)CC" | 21 | "B8E727524D67CD59" |
"EE755A6639A98200_DE14CEC921C3F44A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN2CC1(COC1)C2" | 21 | "B8E727524D67CD59" |
"BBE010DB0A5ECBE1_DDBB6198571B8B91_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=NC(=C(S1)C)C" | 21 | "B8E727524D67CD59" |
"CD7B6DC7FC88FC31_5C8001495F3D918B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CN=CC(=N1)C" | 21 | "B8E727524D67CD59" |
"62A505547582C48B_11FCB95C5DCDB8DD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)C1=NC=CC=C1" | 21 | "B8E727524D67CD59" |
"896B39BEC2BCCD43_CE0BD40689F233B3_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C=N1)Br)Cl" | 21 | "B8E727524D67CD59" |
"B6FC8524EE90593C_39745EC22998E811_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CC2CCC1CC2" | 21 | "B8E727524D67CD59" |
"FAE421CE648C9613_1F339779EF483F13_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CC2CCC1C=C2" | 21 | "B8E727524D67CD59" |
"63FC04B38E3A85AF_32BA112157FC943F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)C1=CC=CC=C1" | 21 | "B8E727524D67CD59" |
"B1479E9E0D126544_15301542BBF0FBFD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(NC)C=CC=C1" | 21 | "B8E727524D67CD59" |
"286CE5508A3A7008_E804ACE0408D42C6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(CC)CC(F)(F)F" | 21 | "B8E727524D67CD59" |
"8BA5DBA85D613DA6_3A5CA3B73926A295_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C)C=C(N=C1)Cl" | 21 | "B8E727524D67CD59" |
"D98FB30121A6112C_FC412090FADF61A2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=CC(=C1)Br)I" | 21 | "B8E727524D67CD59" |
"5E959F5357FCBD89_BCD9C8816BEB4AA6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@@H]1C[C@H]2CC[C@@H]1C=C2" | 21 | "B8E727524D67CD59" |
"2F87D86818448AAB_45ED06A7E7E7C592_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1C(=C1C)[Si](C)(C)C" | 21 | "B8E727524D67CD59" |
"AC24DD38FD656EAC_D4E7F0DD957B43AD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)N1CCCCC1" | 21 | "B8E727524D67CD59" |
"36C233E9DDD1A0F8_37BC9CB582813B5C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOCC1CCCO1" | 21 | "B8E727524D67CD59" |
"75E98681257D4058_B10F52AD7151AFF0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C)SC(=N1)Br" | 21 | "B8E727524D67CD59" |
"B6596DE90D0D4711_00630683040C39B0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC#C[Si](C)(C)C" | 21 | "B8E727524D67CD59" |
"A20F25B7D743B69F_F2C2084EB159525D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)(C)CC(F)(F)F" | 21 | "B8E727524D67CD59" |
"E10E139BA97C9B2F_E351A3BD2E704E8C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC=CC(=C1)C" | 21 | "B8E727524D67CD59" |
"5A3DE512986F34F4_E4C2E90CCFC07BB4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCSC1=NC=CC=C1" | 21 | "B8E727524D67CD59" |
"E515376F0F001E55_443D244659D8AFD7_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOCCOCCF" | 21 | "B8E727524D67CD59" |
"A131A3C2726DE47C_04EB8C3AC35A0CBF_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1NCCCC1C" | 21 | "B8E727524D67CD59" |
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