product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"C733E813A186D2FB_17215B7AFAF9CB2E_6031_UN" | "COC(=O)NCCC(=O)OCC2=CC1=C(N=C(C)S1)C=C2" | 21 | "E07D3189366F383E" |
"A79C2CBA96A132FF_150ECC6FA53768F7_6031_UN" | "COC(=O)NCCC(=O)OCC=CC1=CC=C(CC)C=C1" | 21 | "E07D3189366F383E" |
"030508B6572EB80B_A004EEC3E92E72E3_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=CC=CC(=C1)C" | 21 | "E07D3189366F383E" |
"ACB33149EF78D273_A0AF7E73480A0BA5_6031_UN" | "COC(=O)NCCC(=O)OCC[N]1C=C(C(OC)=O)N=N1" | 21 | "E07D3189366F383E" |
"D6E1DD0C3CA89C67_41F37AC7E93FD23B_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=C(C(C)(C)C)C=C1" | 21 | "E07D3189366F383E" |
"E374A406749EC697_69F17359E98B3DE7_6031_UN" | "COC(=O)NCCC(=O)OCC1=C[NH]C2=C1C(=CC=C2)F" | 21 | "E07D3189366F383E" |
"BC75E77C29D3E7F6_6300967ABCA199D6_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=C(N=CC=C1)Cl" | 21 | "E07D3189366F383E" |
"9C49EF2DD162CD4B_877E3A5161510EAF_6031_UN" | "COC(=O)NCCC(=O)OCC(N)C1=C(C=CC=C1Cl)Cl" | 21 | "E07D3189366F383E" |
"01B962572D4D3244_70D8FA0D75474CC7_6031_UN" | "COC(=O)NCCC(=O)OCC(N)CC1=CC=C(C=C1)I" | 21 | "E07D3189366F383E" |
"D723C880B805C179_182EB36EA3B8E11E_6031_UN" | "COC(=O)NCCC(=O)OCCCOCC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"019D6385D937CCA7_6A633A798486269C_6031_UN" | "COC(=O)NCCC(=O)OCCNC(C)C1=CC=C(Br)S1" | 21 | "E07D3189366F383E" |
"EBF5DAAE0DCEE90C_4BC517760DDDD7FD_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=C[N](CC)N=C1" | 21 | "E07D3189366F383E" |
"5627F7BFF5B1D362_D8A41402C7395BF5_6031_DP" | "COC(=O)NCCC(=O)OCC(CC1=CC=N[N]1C)CN" | 21 | "E07D3189366F383E" |
"AB9A81960DB5F75F_A5EE4A5AED779378_6031_UN" | "COC(=O)NCCC(=O)OCC1CCN(C(OC)=O)CC1" | 21 | "E07D3189366F383E" |
"FCDC15CBD0CEA938_C76C38A6E72D6D12_6031_DP" | "COC(=O)NCCC(=O)OCC(CN)CC1=NC=CC=C1" | 21 | "E07D3189366F383E" |
"AB14B9A6BC6BF8EA_19BB6B96E76B6697_6031_UN" | "COC(=O)NCCC(=O)OCCC(N)CC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"F75531353BBA15C9_56D341B34F3841AF_6031_UN" | "COC(=O)NCCC(=O)OCCC1(CCC#C)OCCO1" | 21 | "E07D3189366F383E" |
"EC4AEB9A7109EFDA_AE3664939E99FE0F_6031_DP" | "COC(=O)NCCC(=O)OCC(CN)CC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"7A7BDE4126E7D6F7_200611AAA90CBE8A_6031_UN" | "COC(=O)NCCC(=O)OCC(C)OCC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"B49BA10C85E9B58F_8627FB24BC649C69_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC2=C(N=N1)C=CC=C2" | 21 | "E07D3189366F383E" |
"B26D3CB69ECAAAA8_A2B67B486F4199E8_6031_UN" | "COC(=O)NCCC(=O)OCCC(C)(C)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"7603746F4F728776_BEDB7262CB3CA660_6031_UN" | "COC(=O)NCCC(=O)OCCOC1(CN)CCOCC1" | 21 | "E07D3189366F383E" |
"382C4EB8FC35066B_0EEE93CCDBDEAEA7_6031_UN" | "COC(=O)NCCC(=O)OCC1(N)CC2=C(C1)C=CC=C2" | 21 | "E07D3189366F383E" |
"4D0DB72A34D13211_EFC25E948C94861B_6031_UN" | "COC(=O)NCCC(=O)OCC(N)C1=C(C(=CC=C1)Cl)F" | 21 | "E07D3189366F383E" |
"6342530095927877_1DA652D3935E8369_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(C=C(C=C1)Br)O2" | 21 | "E07D3189366F383E" |
"1620901E3C68788E_DD219228A897FC7B_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)C1=CC=C(C=C1)Cl" | 21 | "E07D3189366F383E" |
"E50135E790412647_D3C9502090FDDC35_6031_UN" | "COC(=O)NCCC(=O)OCC1C(CCNC1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"C5D81028E677D0C8_BDDF594DE1D75A40_6031_UN" | "COC(=O)NCCC(=O)OCC(C)(N)C1=CC=C(C=C1)Br" | 21 | "E07D3189366F383E" |
"AB78B067CE258B13_87A11755110CE6E2_6031_UN" | "COC(=O)NCCC(=O)OCCCOC1=CC=C(N)C=C1" | 21 | "E07D3189366F383E" |
"F52A10DD6235F3C8_6D9D2C011F344E26_6031_UN" | "COC(=O)NCCC(=O)OCC=CC1=CC(=CC(=C1)Cl)Cl" | 21 | "E07D3189366F383E" |
"B2AB807879D3783A_3BB0A42A9F2F142A_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)C1=CC(=CC=C1)Cl" | 21 | "E07D3189366F383E" |
"5EE673435479C7D8_1089C3C872780A20_6031_UN" | "COC(=O)NCCC(=O)OCC(C)(CN)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"CEE73146148935E8_D5CACCCECAB73448_6031_UN" | "COC(=O)NCCC(=O)OCC1CCN(CC(F)F)CC1" | 21 | "E07D3189366F383E" |
"0EC752F28F3D09E9_CE99DAE78A6F4650_6031_UN" | "COC(=O)NCCC(=O)OCCC2=C[N]1C=CC=CC1=N2" | 21 | "E07D3189366F383E" |
"9D4FBCDAAA51C298_2C9E4C6EAE612838_6031_UN" | "COC(=O)NCCC(=O)OCCOC1(CCOCC1)C#N" | 21 | "E07D3189366F383E" |
"414F16DF23594CC0_50739AA98DE2AF4C_6031_UN" | "COC(=O)NCCC(=O)OCC2=CC1=C(C=CC(=N1)Cl)O2" | 21 | "E07D3189366F383E" |
"F99BDB5497A2360D_F7740A80CB108CF0_6031_UN" | "COC(=O)NCCC(=O)OCC=CC1=CC(=C(C=C1)F)F" | 21 | "E07D3189366F383E" |
"B67B2E26F4FB55EB_E93065009975E843_6031_UN" | "COC(=O)NCCC(=O)OCC(C)(C)C(N)C1=CC=CS1" | 21 | "E07D3189366F383E" |
"2AD27CBB62CB77B5_EB1DD716980F7717_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C([S](C)(=O)=O)C=C1" | 21 | "E07D3189366F383E" |
"5CB37783D6CCCDC6_1A08E04BE9A29549_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(OC)N=C(C=C1C)C" | 21 | "E07D3189366F383E" |
"835B6C80FAD31AF0_1E33DEF859499A87_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=NC=C1)OC(C)C" | 21 | "E07D3189366F383E" |
"CE5D757DF82A5F87_E2625852606DCE65_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=CS1)C(OCC)=O" | 21 | "E07D3189366F383E" |
"19EBEC67A4E66BC0_9687C827BCF6F5F2_6031_UN" | "COC(=O)NCCC(=O)OCC(C1(OC)CCC1)N=[N]#N" | 21 | "E07D3189366F383E" |
"FA7A3958674C55BE_75557F49D15B3BD4_6031_UN" | "COC(=O)NCCC(=O)OCC1=C([S](C)(=O)=O)C=CC=C1" | 21 | "E07D3189366F383E" |
"21D8D551B5A257D7_0FFD676F505D2CBA_6031_UN" | "COC(=O)NCCC(=O)OCC1OC2=C(OC1)C=CC=N2" | 21 | "E07D3189366F383E" |
"1BB4470920FD936B_7CEC9AED85374F18_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=CC(=C1)I)[N](=O)=O" | 21 | "E07D3189366F383E" |
"6124F2ED5304D2AE_92366D20905E19CF_6031_UN" | "COC(=O)NCCC(=O)OCC1=N[N](C)C(=C1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"D67632049519CB92_D7A6ADC6173CB163_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=N[N]1C2CCCC2" | 21 | "E07D3189366F383E" |
"14A770BCBE10FB2B_2065D4620C413D87_6031_UN" | "COC(=O)NCCC(=O)OCC[N]1C=CC(=N1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"F1DF76D05981493A_AA0D4CBEE665B694_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(N=C(C(C)C)C=C1)C" | 21 | "E07D3189366F383E" |
"97984978C82BA3E3_552129A778C980E1_6031_UN" | "COC(=O)NCCC(=O)OCC1=NOC(=C1)C2=CC=CS2" | 21 | "E07D3189366F383E" |
"0E426385A88F3615_61E80C939E3E2C99_6031_UN" | "COC(=O)NCCC(=O)OCC2(C(N)C1CC1)CCCO2" | 21 | "E07D3189366F383E" |
"A5EAF517B4D8832A_260028DF2C64A531_6031_UN" | "COC(=O)NCCC(=O)OCC1=NOC(=C1)C2=CC=CO2" | 21 | "E07D3189366F383E" |
"6814EF334475C445_F9BDE6324785554C_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=C(C)C=C1)[N](=O)=O" | 21 | "E07D3189366F383E" |
"5CDBC7DA7ABE906B_6E361FB28DA40989_6031_UN" | "COC(=O)NCCC(=O)OCC1=C[N](N=N1)C2CCNC2" | 21 | "E07D3189366F383E" |
"2FB6FFC3A96A9B01_25531A9675AFEEFA_6031_UN" | "COC(=O)NCCC(=O)OCC1=N[N](C=C1)CC(F)(F)F" | 21 | "E07D3189366F383E" |
"5A146F030E349971_5B9B7D6448D5D890_6031_UN" | "COC(=O)NCCC(=O)OCC[N]1C=C(Cl)C(=N1)[N](=O)=O" | 21 | "E07D3189366F383E" |
"6F8809206205DE67_77E22708C8A9AE65_6031_UN" | "COC(=O)NCCC(=O)OCC1=C[N](N=C1)CC(F)(F)F" | 21 | "E07D3189366F383E" |
"4EE77FCF063213A5_49701856BC491DCF_6031_UN" | "COC(=O)NCCC(=O)OCC1(NC(C)C)CCNCC1" | 21 | "E07D3189366F383E" |
"46B4DFB8489285A2_C6F74DF74ACB340D_6031_UN" | "COC(=O)NCCC(=O)OCC(NC)C1=CC=C(C=C1)Cl" | 21 | "E07D3189366F383E" |
"5889F06DE942C31E_FCD5FD48BB3A18F2_6031_UN" | "COC(=O)NCCC(=O)OCCOC1=C(C=C(C=C1)Cl)Br" | 21 | "E07D3189366F383E" |
"A62A124D29A41F97_55DB2F0C98B0677B_6031_UN" | "COC(=O)NCCC(=O)OCCCN(C)C1CCNCC1" | 21 | "E07D3189366F383E" |
"B0F10CB36EA3F43A_FEF1FB25FE0A09EF_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(N(C)C)N=CN=C1Cl" | 21 | "E07D3189366F383E" |
"89820F7F58DF50F8_B913769E0DA578CA_6031_UN" | "COC(=O)NCCC(=O)OCC2=C1C=CC=CC1=CN=C2" | 21 | "E07D3189366F383E" |
"8D37E20E34ECA0D6_94B416B9003B3CC5_6031_UN" | "COC(=O)NCCC(=O)OCCCC(N)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"EF7A281941A73FE4_C2807CF8C865FCFC_6031_UN" | "COC(=O)NCCC(=O)OCC(F)COC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"F98B90DDA4D6284C_93A31B791DBBFC95_6031_UN" | "COC(=O)NCCC(=O)OCCC(C(OC(C)C)=O)(C)C" | 21 | "E07D3189366F383E" |
"B245725A5CC023CE_2BAA6C1467844E4C_6031_UN" | "COC(=O)NCCC(=O)OCCCCC1=CC=C(N)C=C1" | 21 | "E07D3189366F383E" |
"0DE108C40E19F889_FEC31BBEB4DB4A68_6031_DP" | "COC(=O)NCCC(=O)OCCC1=C[N](CC(O)=O)N=N1" | 21 | "E07D3189366F383E" |
"2A1164887C95B6A5_7500F85E18A11723_6031_UN" | "COC(=O)NCCC(=O)OCC2=CC1=C(C=CC(=C1)N)O2" | 21 | "E07D3189366F383E" |
"B62C953F3FCE341B_FB7F289E5C97F298_6031_UN" | "COC(=O)NCCC(=O)OCCNC1CC(OC(C)C1)C" | 21 | "E07D3189366F383E" |
"147A054E80D8F947_4BF8CF121E3DBE96_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=C(C(OC)=O)S1)C" | 21 | "E07D3189366F383E" |
"7B57CA9D1A5C8844_7574EC1FC0754EED_6031_UN" | "COC(=O)NCCC(=O)OCCNC1=C(OC)C=CC=C1" | 21 | "E07D3189366F383E" |
"727AAE8DCBE89CE5_AEDE4C80E808CB6B_6031_UN" | "COC(=O)NCCC(=O)OCCN1CCC2=C1C=CC=C2" | 21 | "E07D3189366F383E" |
"12015DBBD1897DB5_499C299E7C4C9D8C_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC=C1OCCCC1=C2" | 21 | "E07D3189366F383E" |
"A5500F52336270CF_208D1228EC4AC7EB_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)SCC#C" | 21 | "E07D3189366F383E" |
"F38824DACC484F9E_73E6CD43202477F5_6031_UN" | "COC(=O)NCCC(=O)OCC1=C([N](N=C1C)C(F)F)C" | 21 | "E07D3189366F383E" |
"5A24FACE8DE9A511_8962EB20E66F1F96_6031_UN" | "COC(=O)NCCC(=O)OCCCN(CC)CC(F)(F)F" | 21 | "E07D3189366F383E" |
"741D8BD5108386D1_12718CD0099E103D_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)OCC#C" | 21 | "E07D3189366F383E" |
"8302A50718CE3E96_4B1E6D85AC48292E_6031_UN" | "COC(=O)NCCC(=O)OCC(C)NCC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"553556F3BD78AA10_86951809550480B0_6031_UN" | "COC(=O)NCCC(=O)OCC(C)C1=CC(=C(C=C1)Cl)Cl" | 21 | "E07D3189366F383E" |
"E844A3D70AD35D4C_4934A6B64AA9B6D8_6031_UN" | "COC(=O)NCCC(=O)OCCCCN1C(=O)CSC1=O" | 21 | "E07D3189366F383E" |
"72FE73DC691A0604_45734728655E3448_6031_UN" | "COC(=O)NCCC(=O)OCC2CC1=C(C=CC(=C1)F)O2" | 21 | "E07D3189366F383E" |
"0D5B1F1984996ABD_FCD0DD46B91710DE_6031_UN" | "COC(=O)NCCC(=O)OCC(NC)CC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"29C9CB5E48A175D1_B1F15EDA15EE62CB_6031_UN" | "COC(=O)NCCC(=O)OCCC(CN)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"2D299B2D3BC11A02_97C2895046CF81F0_6031_UN" | "COC(=O)NCCC(=O)OCC1=NN=C2C=CC(=N[N]12)Cl" | 21 | "E07D3189366F383E" |
"D140BAC8D409BE3B_B5EC57E5BF8CB8CF_6031_UN" | "COC(=O)NCCC(=O)OCCN[C@@H](C)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"F68DB3B5CB6E64C3_AF0DD9B3D0C7F281_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=CC=C1)OCC#C" | 21 | "E07D3189366F383E" |
"17451C2D0DE38C8E_3BA20B75EA27D8D8_6031_UN" | "COC(=O)NCCC(=O)OCCC1=C(C=CC=C1)[N](=O)=O" | 21 | "E07D3189366F383E" |
"18F69133F0B75215_29775342FAE66331_6031_UN" | "COC(=O)NCCC(=O)OCCCC1=C(C=CC=C1F)Cl" | 21 | "E07D3189366F383E" |
"F00D86EF262697C9_93F3BCD189E03969_6031_UN" | "COC(=O)NCCC(=O)OCCCNC1=C(N)C=CC=C1" | 21 | "E07D3189366F383E" |
"04CD45BC478895E0_87DA0BD9F48F7885_6031_UN" | "COC(=O)NCCC(=O)OCCNCCN1CCOCC1" | 21 | "E07D3189366F383E" |
"72C3E6B4792D228A_B7D882535C7263D8_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(OCC)C=CC(=C1)N" | 21 | "E07D3189366F383E" |
"65EA9AFD9BC6CDA0_379521FC01B971E1_6031_UN" | "COC(=O)NCCC(=O)OCC(OC)CC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"452F0AAC951AF58E_7E9A5129CF63C9CB_6031_UN" | "COC(=O)NCCC(=O)OCCC1=C[NH]N=C1C(F)(F)F" | 21 | "E07D3189366F383E" |
"047FB799E9A61536_6783F01E0D83B059_6031_UN" | "COC(=O)NCCC(=O)OCC1=N[N](C=C1)C2CCCC2" | 21 | "E07D3189366F383E" |
"835F8D29A2CA648C_C887986370630047_6031_UN" | "COC(=O)NCCC(=O)OCCCCCC1(C)OCCO1" | 21 | "E07D3189366F383E" |
"CCCD6DD4E4D42CC4_B92C15F6A8F00A7E_6031_UN" | "COC(=O)NCCC(=O)OCCCNC1=CC=C(C=C1)Cl" | 21 | "E07D3189366F383E" |
"EE669AB760AA4C02_087F7D4DD725F7B5_6031_DP" | "COC(=O)NCCC(=O)OCC(CN)C1=CC=C(C=C1)F" | 21 | "E07D3189366F383E" |
"ABB12F6AA9728755_A3596A3155BD4225_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC(=C1)[S](C)(=O)=O" | 21 | "E07D3189366F383E" |
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