product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"A43F3DCCF3838694_D72F6534DC8DD78B_6031_UN" | "COCC(C)C(=O)OCCOCCCC1=CC=CC(=N1)C" | 21 | "62D927534FAA4E2D" |
"3F2E5AB732169F20_0BF6947326E99127_6031_UN" | "COCC(C)C(=O)OCC1=C(C=CC=C1)N2CCOCC2" | 21 | "62D927534FAA4E2D" |
"9710FC794F1CC250_2F751B49CFCC34B1_6031_UN" | "COCC(C)C(=O)OCC2=CC(N1C=C(C)C=CC1=N2)=O" | 21 | "62D927534FAA4E2D" |
"9DBAB177201956B5_1FDC480889B0FE00_6031_UN" | "COCC(C)C(=O)OCCCNCC1=C(OC)C=CC=C1" | 21 | "62D927534FAA4E2D" |
"DD605A0B5EB35FB1_0F4253DC6B89D7A3_6031_UN" | "COCC(C)C(=O)OCC(C(OC)=O)CC1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"594D3A023130D92F_C500C20BE96B5E55_6031_UN" | "COCC(C)C(=O)OCCOC1=C(OC)C=C(C=C1)CN" | 21 | "62D927534FAA4E2D" |
"BB73A5CA7CC26B98_DA440423A03DC610_6031_UN" | "COCC(C)C(=O)OCC1=C[N](N=C1)CC2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"B3F0D47BAD5E2968_1FA8428C80E00A2F_6031_UN" | "COCC(C)C(=O)OCC2=NC1=C(C=CC=C1)[N]2C(F)F" | 21 | "62D927534FAA4E2D" |
"D799F16246C20F90_9BCA852BEEC05C78_6031_UN" | "COCC(C)C(=O)OCC1=NC2=C([N]1CCC)C=CC=C2" | 21 | "62D927534FAA4E2D" |
"C98A7ECE0AE4B9DB_CCC0D7FFB3388AFA_6031_UN" | "COCC(C)C(=O)OCCCNCC1=CC(=C(C=C1)Cl)Cl" | 21 | "62D927534FAA4E2D" |
"A9B912CFF50C7A47_5E63786823BAEC88_6031_UN" | "COCC(C)C(=O)OCCCC1=CC=C(OC(C)C)C=C1" | 21 | "62D927534FAA4E2D" |
"CB370EC3CE07789B_37F7A31B66F93084_6031_UN" | "COCC(C)C(=O)OCCCOCCCN1CCCCC1" | 21 | "62D927534FAA4E2D" |
"E540A45BFB3D0B7C_586A8290BCB2D401_6031_UN" | "COCC(C)C(=O)OCC1=C(C=CC=C1)N2CCCCC2" | 21 | "62D927534FAA4E2D" |
"DA7724DADDCA51B3_7E6BEF32E893CBC8_6031_UN" | "COCC(C)C(=O)OCC2CCN(CC1=CC=CC=C1)C2" | 21 | "62D927534FAA4E2D" |
"1A397E301293CCC1_C054EF5BC4D580C9_6031_UN" | "COCC(C)C(=O)OCC1=C(C)N=C(S1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"596255B85D8DF260_2FBD6EA1FC50CB98_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=N1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"0AA38530AB31EDC5_10A91C6AE0612F79_6031_UN" | "COCC(C)C(=O)OCC1CNC(=NO1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"4472A36FC587BFA1_D7A3E0A48F8F1BBC_6031_UN" | "COCC(C)C(=O)OCC[N]1C(=C(C(OCC)=O)C=N1)N" | 21 | "62D927534FAA4E2D" |
"0A897A2F5564C50D_91A0D39AAF802A69_6031_UN" | "COCC(C)C(=O)OCCOCC1=C(C=C(CN)C=C1)F" | 21 | "62D927534FAA4E2D" |
"56B7E52A43D6CE54_DD701161E21EF918_6031_UN" | "COCC(C)C(=O)OCC1CCN(CC1)C2=NC=CN=C2" | 21 | "62D927534FAA4E2D" |
"54FDBC1E3866A6A8_F585E62D33D45064_6031_UN" | "COCC(C)C(=O)OCC1=CC(=CC=C1)OCC(F)(F)F" | 21 | "62D927534FAA4E2D" |
"E0E7F559B7865DD7_E12542DCA5648A34_6031_UN" | "COCC(C)C(=O)OCCOCCNCCN(CC)CC" | 21 | "62D927534FAA4E2D" |
"FA3ADF31E0F4A7E0_EB8A280A248A1813_6031_UN" | "COCC(C)C(=O)OCCN1C(=O)NCC2=C1C=CC=C2" | 21 | "62D927534FAA4E2D" |
"C5397E169069DB71_2C0C012151951E3C_6031_UN" | "COCC(C)C(=O)OCC(N)CC1=C[NH]C2=C1C=CC=C2" | 21 | "62D927534FAA4E2D" |
"F125D06FCBC7C2FB_C40F3E861CC1ACF8_6031_UN" | "COCC(C)C(=O)OCC1CCCN1C2=NC=NC(=C2)Cl" | 21 | "62D927534FAA4E2D" |
"271D0CFB1B4E3648_40E936D5C309A078_6031_UN" | "COCC(C)C(=O)OCC1=C(C=C(OC)C=C1)OC(F)F" | 21 | "62D927534FAA4E2D" |
"1D4E50BA1A69976A_B581A82CC065FF1D_6031_UN" | "COCC(C)C(=O)OCC1=C(C=CC(=C1)OC)OC(F)F" | 21 | "62D927534FAA4E2D" |
"E6F453E5AFCA329C_E09459E399840C3F_6031_UN" | "COCC(C)C(=O)OCCNC1CCCC2=C1C=CC=C2" | 21 | "62D927534FAA4E2D" |
"28D7E547789CEC7D_59BD979A8E3C4CEE_6031_UN" | "COCC(C)C(=O)OCC1CCN(CC(OCC)=O)CC1" | 21 | "62D927534FAA4E2D" |
"4252C40BD5C20C9F_CCBEB557C537546A_6031_UN" | "COCC(C)C(=O)OCC1CN(C(=O)C1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"AE3ED5E94772DC7C_7943D17DBBE23569_6031_UN" | "COCC(C)C(=O)OCCCC2=C1C=CC=CC1=CC=C2" | 21 | "62D927534FAA4E2D" |
"FF561588B122D803_C8B9AF75415DD134_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(C=C1)OCC(F)(F)F" | 21 | "62D927534FAA4E2D" |
"680415C388F7E4C6_E6C1EBEBD3E47B67_6031_UN" | "COCC(C)C(=O)OCCN2C(=O)C1=C(C=NC=C1)C2=O" | 21 | "62D927534FAA4E2D" |
"D080A328079085A6_2DF9C64E4088F76E_6031_UN" | "COCC(C)C(=O)OCC1=C[N](N=N1)C2=CC=C(C=C2)Cl" | 21 | "62D927534FAA4E2D" |
"F8768ADD8F02904E_BFCA51871544EE6E_6031_UN" | "COCC(C)C(=O)OCC(CN)CC1=C(C=CC=C1F)Cl" | 21 | "62D927534FAA4E2D" |
"F64C6D514D4EAFBB_A062C2236284EC46_6031_UN" | "COCC(C)C(=O)OCC(CN)CC1=C(C=CC(=C1)F)F" | 21 | "62D927534FAA4E2D" |
"4E18C9224725D62D_CFE193C17543F169_6031_UN" | "COCC(C)C(=O)OCCNC2=C1C=CC=CC1=NC=N2" | 21 | "62D927534FAA4E2D" |
"3D5B328BA01B2F5A_9C24D29331ED7765_6031_UN" | "COCC(C)C(=O)OCC1=CC(=NC=C1)[N]2N=C(C)C=C2" | 21 | "62D927534FAA4E2D" |
"4A50F51CF4EFD04D_3ECA902F2ADCE6E6_6031_UN" | "COCC(C)C(=O)OCCCCN(C)CC1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"968567B823CC0E04_CA98F0728E1A3B97_6031_UN" | "COCC(C)C(=O)OCC1=NC(=NC=C1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"EFFDA1197800DB87_98E881D31B6EE50A_6031_UN" | "COCC(C)C(=O)OCCC[N]1C2=C(N=C1C)C=CC=C2" | 21 | "62D927534FAA4E2D" |
"B29408A1DE2CE6D1_2A286BC52A657E7D_6031_UN" | "COCC(C)C(=O)OCC1CNC(=NO1)C2=NC=CC=N2" | 21 | "62D927534FAA4E2D" |
"EE8D66315564BF8F_CA52B3416EF72672_6031_UN" | "COCC(C)C(=O)OCC1C(N(C)C(C1)=O)C2=CC=CS2" | 21 | "62D927534FAA4E2D" |
"FCEA5755B3D65FD3_93FAC9A335F56C1A_6031_UN" | "COCC(C)C(=O)OCC1=NC=C(O1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"C5EE1E1AA9EFE28C_D33D0154483C2BFF_6031_UN" | "COCC(C)C(=O)OCC1=NC=C(O1)C2=CC(=CC=C2)Cl" | 21 | "62D927534FAA4E2D" |
"4DDBDED0FC7AC840_C177B207ADBB4714_6031_UN" | "COCC(C)C(=O)OCCCN2N=C1C=CC=CN1C2=O" | 21 | "62D927534FAA4E2D" |
"055FE5C519F2FF10_2D7C4CA2606F7246_6031_UN" | "COCC(C)C(=O)OCC1=CN=C(C=C1)N2CCOCC2" | 21 | "62D927534FAA4E2D" |
"D82745B6B404B792_A1229878B7364FF1_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=N1)C2=CC=C(C=C2)Cl" | 21 | "62D927534FAA4E2D" |
"61E73A406A436893_E8E1C42247F95BE6_6031_UN" | "COCC(C)C(=O)OCC1=C[N](N=N1)C2=C(C=CC=C2)Cl" | 21 | "62D927534FAA4E2D" |
"16E52F209EC38311_FCDEE89808EBA8B2_6031_UN" | "COCC(C)C(=O)OCC1(CCC1)NCC2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"3B9F027AA71163F0_4F302CB4DCC72C7A_6031_UN" | "COCC(C)C(=O)OCC(C)(C)C(CN)C1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"4E0C6422BBA23FA5_98E7EF49F880AB48_6031_UN" | "COCC(C)C(=O)OCC1=CC(=C(OCCC)C=C1)OC" | 21 | "62D927534FAA4E2D" |
"5332AC5193AB33A5_98CC6FE30A49F925_6031_UN" | "COCC(C)C(=O)OCCN(C)[S](=O)(=O)N1CCOCC1" | 21 | "62D927534FAA4E2D" |
"22D9AE5D91C04816_401D08F2B9F2E1E3_6031_UN" | "COCC(C)C(=O)OCC2=NN=C(C1=CC=CC(=C1)C)O2" | 21 | "62D927534FAA4E2D" |
"75C87A51C11C2167_7E92E7F7136923E7_6031_UN" | "COCC(C)C(=O)OCCN(C)C1=CC=C(C=C1)[N](=O)=O" | 21 | "62D927534FAA4E2D" |
"24DE57F6FD322ECA_6707190E9E595E47_6031_UN" | "COCC(C)C(=O)OCC2=CC(=O)N1C=C(Br)C=CC1=N2" | 21 | "62D927534FAA4E2D" |
"F5D94102C9FD4C70_7AF683D63ADFDCD5_6031_UN" | "COCC(C)C(=O)OCC[N]1N=C(C=C1N)C2=CC=CS2" | 21 | "62D927534FAA4E2D" |
"08605436D426F790_6914B9296A9FCEAD_6031_UN" | "COCC(C)C(=O)OCC1=C(OCC)C=CC(=C1)[N](=O)=O" | 21 | "62D927534FAA4E2D" |
"0510D4D368F6C0A1_4807FE1B6D2E54DD_6031_UN" | "COCC(C)C(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)Cl" | 21 | "62D927534FAA4E2D" |
"A33265580ED9680E_0577E2FBF69301DC_6031_UN" | "COCC(C)C(=O)OCC(C(C)C)NCC1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"340880A64AEB76DB_4C99FC8E6481E436_6031_UN" | "COCC(C)C(=O)OCC1=NN=C([N]1C)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"046D06D57EDE8E22_CB6252C3FCB03226_6031_UN" | "COCC(C)C(=O)OCC2CCC1=NN=C(C(F)F)[N]1C2" | 21 | "62D927534FAA4E2D" |
"D989E1D1905C1553_AA48F36B828AF052_6031_UN" | "COCC(C)C(=O)OCCCC1=CC=C(CC(C)C)C=C1" | 21 | "62D927534FAA4E2D" |
"3A4A47CD18A3F119_33B4F17E16BB12FE_6031_UN" | "COCC(C)C(=O)OCC2=NC1=C(C=CC(=C1)[N](=O)=O)[NH]2" | 21 | "62D927534FAA4E2D" |
"6D2AAABE4F624933_CED17F73A756B987_6031_UN" | "COCC(C)C(=O)OCCCN1CCCC2=C1C=CC=C2" | 21 | "62D927534FAA4E2D" |
"2D67072BAB8F0155_5F8F9F2CB3E00034_6031_UN" | "COCC(C)C(=O)OCC[N]1N=C(C)C2=C1N=CC(=C2)Br" | 21 | "62D927534FAA4E2D" |
"BDA525824F4E36AA_6142C146490B7ED2_6031_UN" | "COCC(C)C(=O)OCCOC1=C(C=CC=C1)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"4A792BF6FA754D53_D7DAA6B454CD3040_6031_UN" | "COCC(C)C(=O)OCC1=C[NH]C(=N1)C2=CC=C(C=C2)Cl" | 21 | "62D927534FAA4E2D" |
"F3D9D3A0FA1814C5_4EA38341F042FD7D_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(C=C1)C2CCCCC2" | 21 | "62D927534FAA4E2D" |
"F132F3402E79FE02_3596810D4139CD4D_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=N1)C2=CC(=CC=C2)Cl" | 21 | "62D927534FAA4E2D" |
"4F8C43ED7BF9C0AE_5C2313C7CA41A7A9_6031_UN" | "COCC(C)C(=O)OCCCN1C(=O)OC2=C1C=CC=C2" | 21 | "62D927534FAA4E2D" |
"AF9BE6AE61114B33_0EDD4250557FE71A_6031_UN" | "COCC(C)C(=O)OCC1CSCC(N1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"44D41A6DA44938C6_952A07948EB72AEB_6031_UN" | "COCC(C)C(=O)OCCN(C)[S](=O)(=O)N1CCNCC1" | 21 | "62D927534FAA4E2D" |
"F4B3FE473E0EE9CD_5ADA01EEA2003605_6031_UN" | "COCC(C)C(=O)OCCC(NC(C)C)C1CCCCC1" | 21 | "62D927534FAA4E2D" |
"F7D6AC4BA56915AA_1EF4D97728FB8944_6031_UN" | "COCC(C)C(=O)OCC1=C(C(C)C)N=C2SC(=N[N]12)C" | 21 | "62D927534FAA4E2D" |
"E6AB2BEC26568FA2_423A287EB1E53694_6031_UN" | "COCC(C)C(=O)OCC=CC1=CC(=CC=C1)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"0CC723790ADC8CE6_A4835714F986C454_6031_UN" | "COCC(C)C(=O)OCC(C)N2CC1=C(C(=CC=C1)N)C2" | 21 | "62D927534FAA4E2D" |
"12D357E5AC14BF56_E39248B554243049_6031_UN" | "COCC(C)C(=O)OCC1(CCNCC1)NCC(F)(F)F" | 21 | "62D927534FAA4E2D" |
"A9BAF6AF83D3760E_9DEC4BAB72137990_6031_UN" | "COCC(C)C(=O)OCC1=CC(=C(OCC)C=C1)OCC" | 21 | "62D927534FAA4E2D" |
"C0A2EF208BE5242D_CC3E52107893A5DB_6031_UN" | "COCC(C)C(=O)OCCN1C(=O)COC2=C1C=CC=C2" | 21 | "62D927534FAA4E2D" |
"840AC4F0BC1C1BD7_8DE787833041D6C9_6031_UN" | "COCC(C)C(=O)OCC(NCC1=CC=CC=C1)C2CC2" | 21 | "62D927534FAA4E2D" |
"BDD41092B7C7B32C_C650820351497BC4_6031_UN" | "COCC(C)C(=O)OCC1(C)CN(C1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"994337A5719F51E8_39613F913E7BA5BE_6031_UN" | "COCC(C)C(=O)OCCNC(=O)OCC1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"8CBAD2A687CFE61E_F1A4D5E4F6D05C56_6031_UN" | "COCC(C)C(=O)OCC2CCN(CC1=CC=CO1)CC2" | 21 | "62D927534FAA4E2D" |
"E9CF9B82074AE322_5EB502F90270CA49_6031_UN" | "COCC(C)C(=O)OCCOCCOCCOCCCC" | 21 | "62D927534FAA4E2D" |
"32684671BD452F21_F90185D4707EED61_6031_UN" | "COCC(C)C(=O)OCC1=CC(=C(N(C)C)C=C1)[N](=O)=O" | 21 | "62D927534FAA4E2D" |
"CB9F2F6F6DA47E72_6BB7C2937F4A7DB7_6031_UN" | "COCC(C)C(=O)OCCN2C(=O)C1=C(C=CC=C1)C2=O" | 21 | "62D927534FAA4E2D" |
"F1655ED31E6F53C1_636D95938E215EBB_6031_UN" | "COCC(C)C(=O)OCCOC1=C(C)C=C(C=C1)[N](=O)=O" | 21 | "62D927534FAA4E2D" |
"298FF630B7098905_5F1ED3158A06ABBD_6031_UN" | "COCC(C)C(=O)OCC2=C[N](C1=CC=C(N)C=C1)N=N2" | 21 | "62D927534FAA4E2D" |
"855545CB1745480E_D51A04E345E7FB96_6031_UN" | "COCC(C)C(=O)OCC1=C(C)C=C(C=C1)[N]2C=CC=N2" | 21 | "62D927534FAA4E2D" |
"BBC35929EFBD5449_9B7C69939653836E_6031_UN" | "COCC(C)C(=O)OCCCC1=CC=C(C(C)(C)C)C=C1" | 21 | "62D927534FAA4E2D" |
"1F07331E95B9C2AF_EA6C653048E213D5_6031_UN" | "COCC(C)C(=O)OCC1=CC(=C(C=C1[N](=O)=O)F)OC" | 21 | "62D927534FAA4E2D" |
"A590E71440CC40F0_1BD5B488AA271B56_6031_UN" | "COCC(C)C(=O)OCC1CCCCN1C2=NC=NC=C2" | 21 | "62D927534FAA4E2D" |
"92634567C969F4AB_6F68AF3FA7D6126F_6031_UN" | "COCC(C)C(=O)OCCNC1=C(N)C=C(C=C1)[N](=O)=O" | 21 | "62D927534FAA4E2D" |
"90BC2637C1D6CACB_FD902E769B39E39D_6031_UN" | "COCC(C)C(=O)OCC1CCN(CC1)C2=NC=CC=C2" | 21 | "62D927534FAA4E2D" |
"2767086B68ACCACB_8941B254E186E13E_6031_UN" | "COCC(C)C(=O)OCCC2=C(C)NC1=NC=N[N]1C2=O" | 21 | "62D927534FAA4E2D" |
"A25C5684E4B6DDA5_4AA4CB5C3D4F7D36_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(SC(N(C)C)=O)C=C1" | 21 | "62D927534FAA4E2D" |
"37092747C70506E6_22B75507A636EDB3_6031_UN" | "COCC(C)C(=O)OCC2=NC(=C1C=CC=CC1=C2)OC" | 21 | "62D927534FAA4E2D" |
"90CAA76450A14944_DDCF918BAD320910_6031_UN" | "COCC(C)C(=O)OCC1=NC(=NO1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"DFC8B394DF989BC9_47C062B04EA25DEE_6031_UN" | "COCC(C)C(=O)OCCN(C)C(=O)C1=NC=CC(=C1)N" | 21 | "62D927534FAA4E2D" |
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