product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"6D69469C640BF384_D3C1A5C333AB700E_6031_DP" | "CN(CCC#C)CC(=O)OCC(CN)CC1=CC=NC=C1" | 21 | "599D759A643E7E14" |
"A2E625433B3AC6C7_AEC11F69A8A88D04_6031_UN" | "CN(CCC#C)CC(=O)OCC2=CC1=C(N=C(C)S1)C=C2" | 21 | "599D759A643E7E14" |
"004F2E72E0ED5DFD_ACEE887CF7662EDD_6031_UN" | "CN(CCC#C)CC(=O)OCC=CC1=CC=C(CC)C=C1" | 21 | "599D759A643E7E14" |
"246ED851BC2AB50B_19E4AAD0BB7F34C9_6031_UN" | "CN(CCC#C)CC(=O)OCCNCC1=CC=CC(=C1)C" | 21 | "599D759A643E7E14" |
"B7AAC7334E893CD9_194F3A601A5B4D8F_6031_UN" | "CN(CCC#C)CC(=O)OCC[N]1C=C(C(OC)=O)N=N1" | 21 | "599D759A643E7E14" |
"B78AABE5283A1435_F8133ED4BB6E9411_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CN=C(C(C)(C)C)C=C1" | 21 | "599D759A643E7E14" |
"A06D4C2FC22E434B_D011374ABBDA7BCD_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C[NH]C2=C1C(=CC=C2)F" | 21 | "599D759A643E7E14" |
"F18F55FECFA1A948_DAE0D269EEF0DFFC_6031_UN" | "CN(CCC#C)CC(=O)OCCNCC1=C(N=CC=C1)Cl" | 21 | "599D759A643E7E14" |
"2B4597EA90A68DD9_3E9E7E4233004885_6031_UN" | "CN(CCC#C)CC(=O)OCC(N)C1=C(C=CC=C1Cl)Cl" | 21 | "599D759A643E7E14" |
"C06E27793ED7A892_C938BE1E27160AED_6031_UN" | "CN(CCC#C)CC(=O)OCC(N)CC1=CC=C(C=C1)I" | 21 | "599D759A643E7E14" |
"08B730061AD1A6A2_A1CEF77DF1E9A734_6031_UN" | "CN(CCC#C)CC(=O)OCCCOCC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"E0B87A53A7D6CEC4_D3837E6AD6D760B6_6031_UN" | "CN(CCC#C)CC(=O)OCCNC(C)C1=CC=C(Br)S1" | 21 | "599D759A643E7E14" |
"D7C24FC57A9F69E1_F22553655F8C91D7_6031_UN" | "CN(CCC#C)CC(=O)OCCNCC1=C[N](CC)N=C1" | 21 | "599D759A643E7E14" |
"C597CE73B3204769_6144501195681DDF_6031_DP" | "CN(CCC#C)CC(=O)OCC(CC1=CC=N[N]1C)CN" | 21 | "599D759A643E7E14" |
"342907BDF66AD5A4_1C0E0E49BF26D552_6031_UN" | "CN(CCC#C)CC(=O)OCC1CCN(C(OC)=O)CC1" | 21 | "599D759A643E7E14" |
"72F1A19409B59204_7E8C7CB5B57C2B38_6031_DP" | "CN(CCC#C)CC(=O)OCC(CN)CC1=NC=CC=C1" | 21 | "599D759A643E7E14" |
"9117C204020E2528_A05B2F85B53A20BD_6031_UN" | "CN(CCC#C)CC(=O)OCCC(N)CC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"87C69647D2C45213_EF3305A01D690785_6031_UN" | "CN(CCC#C)CC(=O)OCCC1(CCC#C)OCCO1" | 21 | "599D759A643E7E14" |
"64E5ED714BF8456F_17D62080CCC8B825_6031_DP" | "CN(CCC#C)CC(=O)OCC(CN)CC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"1F86C33EB420EFD1_99E655B9FB5DF8A0_6031_UN" | "CN(CCC#C)CC(=O)OCC(C)OCC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"F13E8C1A9B12C19D_3FC7BF37EE35DA43_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NC2=C(N=N1)C=CC=C2" | 21 | "599D759A643E7E14" |
"4575680D3D237876_1B563F5B3D10DFC2_6031_UN" | "CN(CCC#C)CC(=O)OCCC(C)(C)C1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"51693E7F56D7CC93_073B3671996DE04A_6031_UN" | "CN(CCC#C)CC(=O)OCCOC1(CN)CCOCC1" | 21 | "599D759A643E7E14" |
"5E39F1538D82A29D_B70ED7DF898FE88D_6031_UN" | "CN(CCC#C)CC(=O)OCC1(N)CC2=C(C1)C=CC=C2" | 21 | "599D759A643E7E14" |
"7731CA7F2AC35274_56221A87DEC5C031_6031_UN" | "CN(CCC#C)CC(=O)OCC(N)C1=C(C(=CC=C1)Cl)F" | 21 | "599D759A643E7E14" |
"F5C2E41922D3FE06_A44616C0C10FC543_6031_UN" | "CN(CCC#C)CC(=O)OCC2=NC1=C(C=C(C=C1)Br)O2" | 21 | "599D759A643E7E14" |
"5F7D2E1A0F11F5B1_64C1D63BFAC6BA51_6031_UN" | "CN(CCC#C)CC(=O)OCC(CN)C1=CC=C(C=C1)Cl" | 21 | "599D759A643E7E14" |
"4F357D41C21773BF_6A291433C2AC9A1F_6031_UN" | "CN(CCC#C)CC(=O)OCC1C(CCNC1)C(F)(F)F" | 21 | "599D759A643E7E14" |
"6ADA2D587B368477_043F1D5EB3861C6A_6031_UN" | "CN(CCC#C)CC(=O)OCC(C)(N)C1=CC=C(C=C1)Br" | 21 | "599D759A643E7E14" |
"3A3ED1E9CA281073_3E415346435DA0C8_6031_UN" | "CN(CCC#C)CC(=O)OCCCOC1=CC=C(N)C=C1" | 21 | "599D759A643E7E14" |
"5D5B691BCA3622E1_D47D68124D65080C_6031_UN" | "CN(CCC#C)CC(=O)OCC=CC1=CC(=CC(=C1)Cl)Cl" | 21 | "599D759A643E7E14" |
"C08BFACC4FBE7D0C_8250E039CD7E5200_6031_UN" | "CN(CCC#C)CC(=O)OCC(CN)C1=CC(=CC=C1)Cl" | 21 | "599D759A643E7E14" |
"FE1543B2A6F14D8F_A96987DB20294C0A_6031_UN" | "CN(CCC#C)CC(=O)OCC(C)(CN)C1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"BEAF50CF65AC6172_6C2A88DD98E67262_6031_UN" | "CN(CCC#C)CC(=O)OCC1CCN(CC(F)F)CC1" | 21 | "599D759A643E7E14" |
"E667EB178EAF0454_77799EF4D83E007A_6031_UN" | "CN(CCC#C)CC(=O)OCCC2=C[N]1C=CC=CC1=N2" | 21 | "599D759A643E7E14" |
"27E0C784F365574A_957E087DFC306E12_6031_UN" | "CN(CCC#C)CC(=O)OCCOC1(CCOCC1)C#N" | 21 | "599D759A643E7E14" |
"B9387B4FAD53AA0F_E993DEBADFB3E966_6031_UN" | "CN(CCC#C)CC(=O)OCC2=CC1=C(C=CC(=N1)Cl)O2" | 21 | "599D759A643E7E14" |
"43AC5D9ACEDDA9EA_4E944E939941CADA_6031_UN" | "CN(CCC#C)CC(=O)OCC=CC1=CC(=C(C=C1)F)F" | 21 | "599D759A643E7E14" |
"A047385C1335B48D_50D02113CB24AE69_6031_UN" | "CN(CCC#C)CC(=O)OCC(C)(C)C(N)C1=CC=CS1" | 21 | "599D759A643E7E14" |
"54AE3EEFF580F065_52FD9305CA5E313D_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C([S](C)(=O)=O)C=C1" | 21 | "599D759A643E7E14" |
"A4E0BD4E2BBBD01C_A3E8A458BBF3D363_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(OC)N=C(C=C1C)C" | 21 | "599D759A643E7E14" |
"3A465DB949F3798A_A7D39AEB0B18DCAD_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC(=NC=C1)OC(C)C" | 21 | "599D759A643E7E14" |
"F7C86CD5C7AC52C9_5B821C41323C884F_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NC(=CS1)C(OCC)=O" | 21 | "599D759A643E7E14" |
"43AED1BB7ACEEF7C_2F678C34EEA7B3D8_6031_UN" | "CN(CCC#C)CC(=O)OCC(C1(OC)CCC1)N=[N]#N" | 21 | "599D759A643E7E14" |
"F66B61D47EACCD68_CCB53B5A830A7DFE_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C([S](C)(=O)=O)C=CC=C1" | 21 | "599D759A643E7E14" |
"11637F799CC7B4F3_B61D237C020C6A90_6031_UN" | "CN(CCC#C)CC(=O)OCC1OC2=C(OC1)C=CC=N2" | 21 | "599D759A643E7E14" |
"7A5F9FD295DB4F42_C50CDEFED7660932_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC(=CC(=C1)I)[N](=O)=O" | 21 | "599D759A643E7E14" |
"86625ACE6C32B6A7_2BD62933C20F5FE5_6031_UN" | "CN(CCC#C)CC(=O)OCC1=N[N](C)C(=C1)C(F)(F)F" | 21 | "599D759A643E7E14" |
"36690A4FFBA7A5C9_6E46E9D5456DF749_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=N[N]1C2CCCC2" | 21 | "599D759A643E7E14" |
"C7BA762B16DBDA73_998590715E107BAD_6031_UN" | "CN(CCC#C)CC(=O)OCC[N]1C=CC(=N1)C(F)(F)F" | 21 | "599D759A643E7E14" |
"C99DED6797213EEF_13ED08ADB434F0BE_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(N=C(C(C)C)C=C1)C" | 21 | "599D759A643E7E14" |
"6DCBEFDE4DA336AA_ECC16DB42A98C6CB_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NOC(=C1)C2=CC=CS2" | 21 | "599D759A643E7E14" |
"9F92E633C9E8FD1A_D8084880CC6F6AB3_6031_UN" | "CN(CCC#C)CC(=O)OCC2(C(N)C1CC1)CCCO2" | 21 | "599D759A643E7E14" |
"0C19AA06B8D7957B_9FE06CCC7E35E31B_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NOC(=C1)C2=CC=CO2" | 21 | "599D759A643E7E14" |
"A3CDDE155C989A01_405DA22115D41366_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC(=C(C)C=C1)[N](=O)=O" | 21 | "599D759A643E7E14" |
"C5FCAE81F4869250_D7D65BA1DFF54FA3_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C[N](N=N1)C2CCNC2" | 21 | "599D759A643E7E14" |
"4DA7611F4B64E904_9CB35E8527FEA8D0_6031_UN" | "CN(CCC#C)CC(=O)OCC1=N[N](C=C1)CC(F)(F)F" | 21 | "599D759A643E7E14" |
"49387A7B09DFAE49_E27B39771A849EBA_6031_UN" | "CN(CCC#C)CC(=O)OCC[N]1C=C(Cl)C(=N1)[N](=O)=O" | 21 | "599D759A643E7E14" |
"A25F8BAAD36291DE_CE02631B9AF8E84F_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C[N](N=C1)CC(F)(F)F" | 21 | "599D759A643E7E14" |
"693696DC1B33C1A9_F0905C45EE185BE5_6031_UN" | "CN(CCC#C)CC(=O)OCC1(NC(C)C)CCNCC1" | 21 | "599D759A643E7E14" |
"1E6D4A84304A209A_7F1709E4189A7227_6031_UN" | "CN(CCC#C)CC(=O)OCC(NC)C1=CC=C(C=C1)Cl" | 21 | "599D759A643E7E14" |
"3D7096299C28FEB5_4535B95BE96B5ED8_6031_UN" | "CN(CCC#C)CC(=O)OCCOC1=C(C=C(C=C1)Cl)Br" | 21 | "599D759A643E7E14" |
"068CDA2A6EC22351_EC3B6B1FCAE12151_6031_UN" | "CN(CCC#C)CC(=O)OCCCN(C)C1CCNCC1" | 21 | "599D759A643E7E14" |
"D4DF378537AF6B22_4711BF36AC5B4FC5_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(N(C)C)N=CN=C1Cl" | 21 | "599D759A643E7E14" |
"5C8C722D409E2E5D_00F3328D5FF43EE0_6031_UN" | "CN(CCC#C)CC(=O)OCC2=C1C=CC=CC1=CN=C2" | 21 | "599D759A643E7E14" |
"FAE6CEDA9A0D4CE1_2D5452AA526A7AEF_6031_UN" | "CN(CCC#C)CC(=O)OCCCC(N)C1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"DEB5077B50A6D2C8_7B6038EB9A34BAD6_6031_UN" | "CN(CCC#C)CC(=O)OCC(F)COC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"BD75D871B21E106E_2A435F6A4FEABABF_6031_UN" | "CN(CCC#C)CC(=O)OCCC(C(OC(C)C)=O)(C)C" | 21 | "599D759A643E7E14" |
"BB8E10B498F39367_924A280735D50866_6031_UN" | "CN(CCC#C)CC(=O)OCCCCC1=CC=C(N)C=C1" | 21 | "599D759A643E7E14" |
"A2B9723D6EB5F871_47235FADE68A0C42_6031_DP" | "CN(CCC#C)CC(=O)OCCC1=C[N](CC(O)=O)N=N1" | 21 | "599D759A643E7E14" |
"3B0958512514195B_CCE0BC4D4AF05109_6031_UN" | "CN(CCC#C)CC(=O)OCC2=CC1=C(C=CC(=C1)N)O2" | 21 | "599D759A643E7E14" |
"D138D1C3ED01F35A_429F6C8D0EC6B4B2_6031_UN" | "CN(CCC#C)CC(=O)OCCNC1CC(OC(C)C1)C" | 21 | "599D759A643E7E14" |
"620C9A3E57ADA251_F2188B014C6CF8BC_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NC(=C(C(OC)=O)S1)C" | 21 | "599D759A643E7E14" |
"0A6A2DFFB46769C8_CC94A80C922408C7_6031_UN" | "CN(CCC#C)CC(=O)OCCNC1=C(OC)C=CC=C1" | 21 | "599D759A643E7E14" |
"1071C0E1D59EC00B_173E0893BA598D41_6031_UN" | "CN(CCC#C)CC(=O)OCCN1CCC2=C1C=CC=C2" | 21 | "599D759A643E7E14" |
"A821F86BDA72197A_F07C6D8D2E1DDBA6_6031_UN" | "CN(CCC#C)CC(=O)OCC2=NC=C1OCCCC1=C2" | 21 | "599D759A643E7E14" |
"BFA0DE1BE45A001B_996D563BBE1B81C1_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(C=C1)SCC#C" | 21 | "599D759A643E7E14" |
"9F42E6E0410DCCEF_CA068950727531DF_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C([N](N=C1C)C(F)F)C" | 21 | "599D759A643E7E14" |
"99F96AA78B3751B5_3082AF33B43E59BC_6031_UN" | "CN(CCC#C)CC(=O)OCCCN(CC)CC(F)(F)F" | 21 | "599D759A643E7E14" |
"7367E2B6D7ECF3D8_AB91C8C35BCF5617_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC=C(C=C1)OCC#C" | 21 | "599D759A643E7E14" |
"ADFE44CC3274EDBA_F2FE2996FE196F04_6031_UN" | "CN(CCC#C)CC(=O)OCC(C)NCC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"003DA2071B119002_3F755C1A0755C69A_6031_UN" | "CN(CCC#C)CC(=O)OCC(C)C1=CC(=C(C=C1)Cl)Cl" | 21 | "599D759A643E7E14" |
"1F6B4819C2FB396A_F0D4E2A518F8F0F2_6031_UN" | "CN(CCC#C)CC(=O)OCCCCN1C(=O)CSC1=O" | 21 | "599D759A643E7E14" |
"D5F7839971250EA0_FC93033B370F7262_6031_UN" | "CN(CCC#C)CC(=O)OCC2CC1=C(C=CC(=C1)F)O2" | 21 | "599D759A643E7E14" |
"C2A094F3785E1DF3_45309955EB4656F4_6031_UN" | "CN(CCC#C)CC(=O)OCC(NC)CC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"DC7773438DA36A71_08111AC947BF24E1_6031_UN" | "CN(CCC#C)CC(=O)OCCC(CN)C1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"1E1BC7DD74608940_2E22CD43149EC7DA_6031_UN" | "CN(CCC#C)CC(=O)OCC1=NN=C2C=CC(=N[N]12)Cl" | 21 | "599D759A643E7E14" |
"D683EF5E43F45733_0C0C13F6EDDDFEE5_6031_UN" | "CN(CCC#C)CC(=O)OCCN[C@@H](C)C1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"C450B620D5BA0F4F_16ED9DA08296B4AB_6031_UN" | "CN(CCC#C)CC(=O)OCC1=CC(=CC=C1)OCC#C" | 21 | "599D759A643E7E14" |
"A17D8224286D594E_82424F66B8769EF2_6031_UN" | "CN(CCC#C)CC(=O)OCCC1=C(C=CC=C1)[N](=O)=O" | 21 | "599D759A643E7E14" |
"86BC22B93E9128D1_90971751A8B7251B_6031_UN" | "CN(CCC#C)CC(=O)OCCCC1=C(C=CC=C1F)Cl" | 21 | "599D759A643E7E14" |
"2F701D1FD7A3F4E7_2A13F8C2DBB17F43_6031_UN" | "CN(CCC#C)CC(=O)OCCCNC1=C(N)C=CC=C1" | 21 | "599D759A643E7E14" |
"B36FB7ABE50C2D4D_3E3A4FCAA6DE3EAF_6031_UN" | "CN(CCC#C)CC(=O)OCCNCCN1CCOCC1" | 21 | "599D759A643E7E14" |
"E0E179F93AE9E1E3_0E38C6400E2325F2_6031_UN" | "CN(CCC#C)CC(=O)OCC1=C(OCC)C=CC(=C1)N" | 21 | "599D759A643E7E14" |
"2712575C7077F15B_8E7565EF53E837CB_6031_UN" | "CN(CCC#C)CC(=O)OCC(OC)CC1=CC=CC=C1" | 21 | "599D759A643E7E14" |
"1388D747306C6DAA_C77A153A9D328FE1_6031_UN" | "CN(CCC#C)CC(=O)OCCC1=C[NH]N=C1C(F)(F)F" | 21 | "599D759A643E7E14" |
"0B3046EF23259652_DE63B40D5FD2F673_6031_UN" | "CN(CCC#C)CC(=O)OCC1=N[N](C=C1)C2CCCC2" | 21 | "599D759A643E7E14" |
"91473E4AE25FF186_7167DC702232466D_6031_UN" | "CN(CCC#C)CC(=O)OCCCCCC1(C)OCCO1" | 21 | "599D759A643E7E14" |
"4367F3430C18167A_00CC51E5FAA14C54_6031_UN" | "CN(CCC#C)CC(=O)OCCCNC1=CC=C(C=C1)Cl" | 21 | "599D759A643E7E14" |
"BED0429EB3F0B719_B19F395E8574B19F_6031_DP" | "CN(CCC#C)CC(=O)OCC(CN)C1=CC=C(C=C1)F" | 21 | "599D759A643E7E14" |
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