product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"B07AB7CFD87E67B8_715B24C4729C750A_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CSC(=N1)C(OCC)=O" | 21 | "599D759A643E7E14" |
"A5723691B46B8FBD_9C5DDED4D76B83CD_6031_UN" | "CN(CCC#C)CC(=O)OCC2=C(C=C1OCOC1=C2)Br" | 21 | "599D759A643E7E14" |
"A5A7B249B63F24C2_40E282A670E4F3CC_6031_UN" | "CN(CCC#C)CC(=O)OCC2CSC1=C(C=CC=C1)O2" | 21 | "599D759A643E7E14" |
"0B907ADC73AD679F_DADF3AC92CA6274D_6031_UN" | "CN(CCC#C)CC(=O)OCC2=NC1=C(C=C(C=C1)F)O2" | 21 | "599D759A643E7E14" |
"9A763E11C38880E7_6E465E39BA7EC7BA_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(C=C(C=C1)B(O)O)Cl" | 21 | "599D759A643E7E14" |
"D5820AA1F490B759_BEA775A91751C6C6_6031_UN" | "CN(CCC#C)CC(=O)OCC2=NC1=C(C=CC(=C1)N)O2" | 21 | "599D759A643E7E14" |
"01113E26F8232A6C_5B59C9F78784E523_6031_UN" | "CN(CCC#C)CC(=O)OCCCCC1=CC(=CC=C1)Br" | 21 | "599D759A643E7E14" |
"D773EC5362E78176_719CF4D7761C8E05_6031_UN" | "CN(CCC#C)CC(=O)OCC2CCC1=NN=C(C)[N]1C2" | 21 | "599D759A643E7E14" |
"C8DFECDE85D12A15_2C86A3CB890F1342_6031_UN" | "CN(CCC#C)CC(=O)OCCN(C(CCCC)=O)CC" | 21 | "599D759A643E7E14" |
"22F638FB2C7A561F_12A2966C0EAF9C07_6031_UN" | "CN(CCC#C)CC(=O)OCCCNCC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"EF486BFD79695E4A_DA721F353A26F530_6031_UN" | "CN(CCC#C)CC(=O)OCCCNCC1=CN=CC=C1" | 21 | "599D759A643E7E14" |
"AF36F9E4EE22BEC3_50F0A03AEEBAE34E_6031_UN" | "CN(CCC#C)CC(=O)OCC2=CC1=C(C)C=CC=C1[NH]2" | 21 | "599D759A643E7E14" |
"4D14882A4C3345CC_F541A9DCBC758568_6031_UN" | "CN(CCC#C)CC(=O)OCCSCC1=CC(=NC=C1)N" | 21 | "599D759A643E7E14" |
"BD31CB89ED91136D_CC133F9C890F72F3_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(C=C1)OC(F)F" | 21 | "599D759A643E7E14" |
"9101C37DFFC81D5D_451C568D47893DFF_6031_UN" | "CN(CCC#C)CC(=O)OCCCCCCCCCCC" | 21 | "599D759A643E7E14" |
"44D23A95083357E3_38CC088C2FC08A83_6031_UN" | "CN(CCC#C)CC(=O)OCC2=CC(=C1OCOC1=C2)Br" | 21 | "599D759A643E7E14" |
"B1526FC37C04C614_137908438DE1B33C_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NC(=NO1)C2=CSC=C2" | 21 | "599D759A643E7E14" |
"27CEC77464B103D0_2E3B4DFDA9F9B1BB_6031_UN" | "CN(CCC#C)CC(=O)OCCNCCC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"5BAC2E0E20F7D3BA_205DB2C14DE9A61C_6031_UN" | "CN(CCC#C)CC(=O)OCCC(N)C1=CC=C(C=C1)F" | 21 | "599D759A643E7E14" |
"805D6823E5C48739_ED57E297080D7FCA_6031_UN" | "CN(CCC#C)CC(=O)OCC1CCCC2=C1C=CC=C2" | 21 | "599D759A643E7E14" |
"068634326DD16A81_8C07D2781D718E68_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CN=C(O1)C2=CC=CO2" | 21 | "599D759A643E7E14" |
"ACDD1CD90C8B997D_686818AA4132AE3D_6031_UN" | "CN(CCC#C)CC(=O)OCCN1CCC(CNC)CC1" | 21 | "599D759A643E7E14" |
"09218DA7BB1531BE_F981003019D00BBC_6031_UN" | "CN(CCC#C)CC(=O)OCC2CC1=C(C=CC(=C1)Br)O2" | 21 | "599D759A643E7E14" |
"2874E8C93AA1274A_50CF0CEF8F9AE73F_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NC2=C(C=C1)C=CC=C2" | 21 | "599D759A643E7E14" |
"C783A6F0679157FE_69CDE9224FC7711F_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(CN(C)C)C=C1" | 21 | "599D759A643E7E14" |
"074C60DC259BBFE6_4C03325F2279B9B2_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(C=C1)SC(F)F" | 21 | "599D759A643E7E14" |
"DA95857E9D56A601_E3DFBC8F9469806B_6031_UN" | "CN(CCC#C)CC(=O)OCC2CNC1=C(C=CC=C1)C2" | 21 | "599D759A643E7E14" |
"D6D056287687643E_1BD910907DC9B8D3_6031_UN" | "CN(CCC#C)CC(=O)OCC(CCC)N1CCNCC1" | 21 | "599D759A643E7E14" |
"CB0E9CD8B0F674F7_C0C55959E8C69BC1_6031_UN" | "CN(CCC#C)CC(=O)OCCCOC1=CC=C(C=C1)Br" | 21 | "599D759A643E7E14" |
"5E3D6E480BE9F7CC_C0762C7E015AA4DE_6031_UN" | "CN(CCC#C)CC(=O)OCC2=CC1=C(C=CC=C1Cl)[NH]2" | 21 | "599D759A643E7E14" |
"57D55F9ECE67670D_533BB14B2C43AB5D_6031_DP" | "CN(CCC#C)CC(=O)OCC1CCCN1C(C(O)=O)=O" | 21 | "599D759A643E7E14" |
"16AA12A05EAECB67_B6FC1BD6810E52FF_6031_UN" | "CN(CCC#C)CC(=O)OCCCOC1=CC(=CC=C1)Br" | 21 | "599D759A643E7E14" |
"7D0961AB4E731B2F_67B7E749887CC70C_6031_UN" | "CN(CCC#C)CC(=O)OCC1OC2=C(NC1)C=CC=C2" | 21 | "599D759A643E7E14" |
"62CD22159C8CEBED_558719E4DDD36034_6031_UN" | "CN(CCC#C)CC(=O)OCCOC1=C(CN)C=CC=C1" | 21 | "599D759A643E7E14" |
"13D936308C738733_262DA073466AEB12_6031_UN" | "CN(CCC#C)CC(=O)OCC(C1=CC=C(OC)C=C1)C" | 21 | "599D759A643E7E14" |
"D9C90B2E7C297A97_30D44B8E941802F2_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(C(CC)C)C=C1" | 21 | "599D759A643E7E14" |
"C7F746D017204FCF_571B0C649317732D_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(C=C1)OCC#N" | 21 | "599D759A643E7E14" |
"CFE2D416105833C3_4653CA4222C7E730_6031_UN" | "CN(CCC#C)CC(=O)OCC(NC)C1=CC(=CC=C1)Br" | 21 | "599D759A643E7E14" |
"223DA121481EADDB_EE9408B9A1941ACA_6031_UN" | "CN(CCC#C)CC(=O)OCCOC(=O)C1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"D4C7D87302B7A5C0_A34CEE15EB354F23_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC(=C(C=C1)[N](=O)=O)Cl" | 21 | "599D759A643E7E14" |
"8B95033D00DE27B1_3196C96B3716575A_6031_UN" | "CN(CCC#C)CC(=O)OCC(C1=CC=C(CC)C=C1)N" | 21 | "599D759A643E7E14" |
"148FF6D7D0818D54_88C886D1A04F9EA0_6031_UN" | "CN(CCC#C)CC(=O)OCC(C)(CN)CC1=CC=CS1" | 21 | "599D759A643E7E14" |
"3728C84CF53F9600_9CD9A59872DA41EE_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(C)N=C2[N]1N=C(C)S2" | 21 | "599D759A643E7E14" |
"711211C6F913E6A8_769BC08AC1C0BAC8_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(C=C(C=C1)[N](=O)=O)Cl" | 21 | "599D759A643E7E14" |
"42681056AF2353B1_34FA9C50EDBF852F_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NN=C2C=C(Cl)N=C[N]12" | 21 | "599D759A643E7E14" |
"36B17D20BEA1B381_81B24C63A7035405_6031_UN" | "CN(CCC#C)CC(=O)OCCCC1=CC(=C(C=C1)Cl)Cl" | 21 | "599D759A643E7E14" |
"89B1E84425BE797B_D3A1A9A0D67FB1FE_6031_UN" | "CN(CCC#C)CC(=O)OCC2COC1=C(C=CC=C1)O2" | 21 | "599D759A643E7E14" |
"0D6174E28D768988_02B522DFC57E0B87_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC(=C(C=C1)[N](=O)=O)C" | 21 | "599D759A643E7E14" |
"2E211D9E58CD5B50_741538E553F8CD89_6031_UN" | "CN(CCC#C)CC(=O)OCCC(N)C1=C(C=CC=C1)Br" | 21 | "599D759A643E7E14" |
"63F8197F25B79D33_51F26253E16CA9C8_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(SCCC)C=C1" | 21 | "599D759A643E7E14" |
"FEBD9000B86BDB8A_5E1B8E46EB95E869_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=CC(=N1)C(OC)=O" | 21 | "599D759A643E7E14" |
"3E66521401C678CD_93884AF500A1BFA8_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NN=C([N]1C)C2CCC2" | 21 | "599D759A643E7E14" |
"2DB57AF2DABFFD70_D2B4E30C77C27FF2_6031_UN" | "CN(CCC#C)CC(=O)OCC2=NC1=C(C=CC(=C1)Br)[NH]2" | 21 | "599D759A643E7E14" |
"4643636C1A6A546C_E69A3CC9755C0D3E_6031_UN" | "CN(CCC#C)CC(=O)OCCCN1CCCCCCC1" | 21 | "599D759A643E7E14" |
"A2D3010FC5D6192B_FA73123C0FCD047A_6031_UN" | "CN(CCC#C)CC(=O)OCC2=C1OCCC1=CC(=C2)Cl" | 21 | "599D759A643E7E14" |
"E2723FF89245493C_B721635F35745476_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(SC(C)C)C=C1" | 21 | "599D759A643E7E14" |
"7D0DE51054AC7933_60CA0D9CC7F2686E_6031_UN" | "CN(CCC#C)CC(=O)OCC1CCC2(CC1)OCCO2" | 21 | "599D759A643E7E14" |
"1A2D156B91BD3497_BEE001DA94D68FD2_6031_UN" | "CN(CCC#C)CC(=O)OCC1CCOC2=C1C=CC=C2" | 21 | "599D759A643E7E14" |
"E8E81C8655ADDFCC_0E328FC8A153DEBC_6031_UN" | "CN(CCC#C)CC(=O)OCCOC1=C(C)C=C(C=C1)N" | 21 | "599D759A643E7E14" |
"59056BE67C895A73_624A1AC004A23E2D_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(C=CC=N1)C(F)(F)F" | 21 | "599D759A643E7E14" |
"6C6EBB2ACEF9A4D3_6CAA4267B3F73ED7_6031_UN" | "CN(CCC#C)CC(=O)OCCCSCC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"F076FBC4D2F34176_B38584E2369D755F_6031_UN" | "CN(CCC#C)CC(=O)OCCC1=CC=C(C=C1)[N](=O)=O" | 21 | "599D759A643E7E14" |
"4BEE1C28ACA35F70_00FE4E696DFD624A_6031_UN" | "CN(CCC#C)CC(=O)OCCN(C)C1=CC=C(C=C1)N" | 21 | "599D759A643E7E14" |
"DE8B46A1821A41E4_F3D4EEEAA3700600_6031_UN" | "CN(CCC#C)CC(=O)OCCOC1CCCCC1CC" | 21 | "599D759A643E7E14" |
"5E30919FB3ACD1B7_6ED54681C29D1142_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(C)OC2=C1C=CC=C2" | 21 | "599D759A643E7E14" |
"2A7C955940716F10_A4FC5C57420D13C0_6031_UN" | "CN(CCC#C)CC(=O)OCCCC1=CN=CC(=C1)OC" | 21 | "599D759A643E7E14" |
"DC6F5A46E358A5C6_136ADCE9CB750C0A_6031_UN" | "CN(CCC#C)CC(=O)OCCN1C(NC(C)(C)C1=O)=O" | 21 | "599D759A643E7E14" |
"0AB472F9F2A34D97_AEC7D4D29BC2DD30_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(OC(C)C)C=CC=C1" | 21 | "599D759A643E7E14" |
"ACBA56EE3ECEA5FC_CE0547081C8C102D_6031_UN" | "CN(CCC#C)CC(=O)OCC1(CC(OCC)C1(C)C)N" | 21 | "599D759A643E7E14" |
"C22D0A73368C68D0_BC1A7E5F05EDA561_6031_UN" | "CN(CCC#C)CC(=O)OCC2=C1C=CC=NC1=CC=C2" | 21 | "599D759A643E7E14" |
"715A8BFB0D2E2631_4D542518EA113218_6031_UN" | "CN(CCC#C)CC(=O)OCC(C)NC1CCN(C)CC1" | 21 | "599D759A643E7E14" |
"0F29D2DA5C91EE85_B62DD85696983EBF_6031_UN" | "CN(CCC#C)CC(=O)OCCNC1(CCCCC1)C#N" | 21 | "599D759A643E7E14" |
"3FBBB584829B97D5_78F75B37F132BE28_6031_UN" | "CN(CCC#C)CC(=O)OCC(NC)(C)C1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"93B08EA45ED8813D_26C22C2EDA3916A5_6031_UN" | "CN(CCC#C)CC(=O)OCC(NCC)C1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"FB764FC8E34E6FC8_D0E1B69595FCF7FF_6031_UN" | "CN(CCC#C)CC(=O)OCC(CC1=CC=C(C)C=C1)N" | 21 | "599D759A643E7E14" |
"4EEEAE979B2B9DDF_7351CC316E70383D_6031_UN" | "CN(CCC#C)CC(=O)OCCCNCC1=NC=CC=C1" | 21 | "599D759A643E7E14" |
"26353CA3FB9C882D_BD664465AA998A20_6031_UN" | "CN(CCC#C)CC(=O)OCCNC1CCCCCCC1" | 21 | "599D759A643E7E14" |
"9FBF19D21BCD44B9_11FB6739A4AC0E00_6031_UN" | "CN(CCC#C)CC(=O)OCCNCC1=CC=C(C=C1)Cl" | 21 | "599D759A643E7E14" |
"9618ADC036A53587_BF1F4EEB601A0757_6031_UN" | "CN(CCC#C)CC(=O)OCC2=NC1=C(N=C(C=C1)Cl)[NH]2" | 21 | "599D759A643E7E14" |
"2AFA4B7682C580A2_3BA66C1E5B0748E8_6031_UN" | "CN(CCC#C)CC(=O)OCC(CC1=C(C)C=CC=C1)N" | 21 | "599D759A643E7E14" |
"7F84CC178EEB7B3F_402B0781A1EBB5E0_6031_UN" | "CN(CCC#C)CC(=O)OCCOCC(F)(F)C(F)(F)F" | 21 | "599D759A643E7E14" |
"38CD795072F9F681_C8D95AD369E47D49_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(C=C1)CCC#C" | 21 | "599D759A643E7E14" |
"E7F939B91F52D1E3_7078CD7E4DBE2AE0_6031_UN" | "CN(CCC#C)CC(=O)OC[C@H](C)OC1=CC=C(C=C1)Cl" | 21 | "599D759A643E7E14" |
"1D952A85791E3373_F1B557F8E319073E_6031_UN" | "CN(CCC#C)CC(=O)OCCNCC1=CC(=CC=C1)F" | 21 | "599D759A643E7E14" |
"50A6784FD496E7AA_8E64C3115BAF3995_6031_UN" | "CN(CCC#C)CC(=O)OCCNC1CCC(CC)CC1" | 21 | "599D759A643E7E14" |
"73DE792EB2A2D631_BEF2DD01DDD9E285_6031_UN" | "CN(CCC#C)CC(=O)OCCC1=CC(=C(C=C1)N)OC" | 21 | "599D759A643E7E14" |
"E46777CCF61004EB_D7CACC22200973C1_6031_UN" | "CN(CCC#C)CC(=O)OCCNC(C)C1CCCCC1" | 21 | "599D759A643E7E14" |
"E0FECD6A59A58F4C_155EC85011C78B7D_6031_UN" | "CN(CCC#C)CC(=O)OCC(CN)CC1CCOCC1" | 21 | "599D759A643E7E14" |
"A9BD63D1ED3C2F47_011EE3AF6A937FC6_6031_UN" | "CN(CCC#C)CC(=O)OCCSCCCCCCCC" | 21 | "599D759A643E7E14" |
"D6C21F6510E309F8_EFDA70EAAA708EBF_6031_UN" | "CN(CCC#C)CC(=O)OCC1CCC(CC1)OCC#C" | 21 | "599D759A643E7E14" |
"5131C53356BD9B10_4950395B7ADD8DCD_6031_UN" | "CN(CCC#C)CC(=O)OCC(N)CC1=CC=C(C=C1)F" | 21 | "599D759A643E7E14" |
"9E9727F8D03EA930_A1855FC659916A7A_6031_UN" | "CN(CCC#C)CC(=O)OCCN(C)CC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"88414C9DD3A1262C_601B77B73703D665_6031_UN" | "CN(CCC#C)CC(=O)OCC(CN)CC1CCCCC1" | 21 | "599D759A643E7E14" |
"D477FC23AAC0A664_7B45F9A4C9D84153_6031_UN" | "CN(CCC#C)CC(=O)OCC(CN)CC1=CN=CC=C1" | 21 | "599D759A643E7E14" |
"128860B2660CBD7E_CB728F067E0E64C8_6031_UN" | "CN(CCC#C)CC(=O)OCCNCC1=CC(=CC=C1)Br" | 21 | "599D759A643E7E14" |
"53D569FE57DF5961_563C5435A7E6A822_6031_UN" | "CN(CCC#C)CC(=O)OCC2CCC1=C(C=CC=C1)C2" | 21 | "599D759A643E7E14" |
"FF016DB1FD4C298E_752BB1740A9FE066_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NC=C(C(C)(C)C)C=C1" | 21 | "599D759A643E7E14" |
"E90A215B4090A074_543CFD2C8093EF5D_6031_UN" | "CN(CCC#C)CC(=O)OCCSC1=CC(=C(C=C1)N)C" | 21 | "599D759A643E7E14" |
"D47D5EB33DA1B313_4A0E6C9C07A8781A_6031_UN" | "CN(CCC#C)CC(=O)OCC2=NC1=C(C=C(C=C1)Br)S2" | 21 | "599D759A643E7E14" |
"7DB837799059DA41_733E8BDA37148F91_6031_UN" | "CN(CCC#C)CC(=O)OCCOC1=CC(=CC(=C1)C)N" | 21 | "599D759A643E7E14" |
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