product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"B65EBF4F0F0698BB_84A9FC6524728B77_6031_UN" | "COC(=O)NCCC(=O)OC[C@]12CCCC[C@@H]1NCCC2" | 21 | "E07D3189366F383E" |
"1575EB67AAF3741C_C696593B50457AA9_6031_UN" | "COC(=O)NCCC(=O)OCC1=C([N](C)N=C1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"9EE88E33CF158EE4_4452ACFF06D4831A_6031_UN" | "COC(=O)NCCC(=O)OCC1=NOC(=C1)C2CCCC2" | 21 | "E07D3189366F383E" |
"73DB20EF3BB8B2A6_CF11A3ED3553E369_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=C(OC)C=C1Cl)Cl" | 21 | "E07D3189366F383E" |
"980AA4BAB0AF84A0_D543D420FD49F86F_6031_UN" | "COC(=O)NCCC(=O)OC[C@]1(COC[C@@H](C)N1C)CN" | 21 | "E07D3189366F383E" |
"8EFCA101DA17B095_AECEA6BE9D1D4A77_6031_UN" | "COC(=O)NCCC(=O)OC[C@H]1[C@@H](N)C2=C(C1)C=CC=C2" | 21 | "E07D3189366F383E" |
"CAA229920B11D87A_7106D5A4FA354E67_6031_UN" | "COC(=O)NCCC(=O)OCC1(CCOCC1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"35C9A954CE190ECB_42691162525F7DE7_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC2=C(C=C1)OCCN2" | 21 | "E07D3189366F383E" |
"85230A75AFF78C49_58182C727B2ACEC3_6031_UN" | "COC(=O)NCCC(=O)OCC1NCC2(C1)CCSCC2" | 21 | "E07D3189366F383E" |
"6CF163103DC27E0D_ED2A005FE30F45FD_6031_UN" | "COC(=O)NCCC(=O)OCC1CNCCC12CN(C)C2" | 21 | "E07D3189366F383E" |
"3E95339750C07863_F4CA18E2B47F2364_6031_UN" | "COC(=O)NCCC(=O)OC[C@H]1[C@@H](CN1)C2=CC=CC=C2" | 21 | "E07D3189366F383E" |
"1BB35BAD793DCDBB_2BD10AFBED932BA1_6031_UN" | "COC(=O)NCCC(=O)OCC2CCN(CC1CC1)CC2" | 21 | "E07D3189366F383E" |
"8C49FC5E88A20DEC_090C8501BB165E9A_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=CC=C(C=C1)F" | 21 | "E07D3189366F383E" |
"7BBF960ECB408E4C_C042946C19B136F6_6031_UN" | "COC(=O)NCCC(=O)OCC1(C(OC)=O)CC=CCO1" | 21 | "E07D3189366F383E" |
"87B2EF23E76030B4_4416019B60EE145E_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=C(C=C1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"E53C507AA6FB5BA3_73ECA56CF9BC1C0C_6031_UN" | "COC(=O)NCCC(=O)OCC1(C)CNC2=C1C=CC=C2" | 21 | "E07D3189366F383E" |
"FDB81D10CC9AEBDD_78C3B8629EFA806B_6031_UN" | "COC(=O)NCCC(=O)OCCCNC(=O)N1CCCC1" | 21 | "E07D3189366F383E" |
"AE9EC95DFA8CD466_91DE16C186A4152B_6031_UN" | "COC(=O)NCCC(=O)OCC2(C1=CC=C(N)C=C1)CC2" | 21 | "E07D3189366F383E" |
"B4B8286F95F87E51_BBCECB80E12E7BC9_6031_UN" | "COC(=O)NCCC(=O)OCC1CNC2(C1)CCOCC2" | 21 | "E07D3189366F383E" |
"018D22613CCFBAF8_B754DAD3B8F787F9_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=CC=C1)OC(F)F" | 21 | "E07D3189366F383E" |
"BE39733416309225_63DFBFFA83DDC4BF_6031_DP" | "COC(=O)NCCC(=O)OCC1(CC(OC)(C1)OC)CN" | 21 | "E07D3189366F383E" |
"A7495A0F87534D35_61097732D4EB6B19_6031_UN" | "COC(=O)NCCC(=O)OCCNC(=O)N1CCCCC1" | 21 | "E07D3189366F383E" |
"D783936AFA4D031B_50B2C2E511C0FD11_6031_UN" | "COC(=O)NCCC(=O)OCCNC1=CC(=CC(=C1)Cl)Cl" | 21 | "E07D3189366F383E" |
"44F02BC125E2AE28_3FD703ABD37B91B8_6031_UN" | "COC(=O)NCCC(=O)OCCCNC1CCCCCC1" | 21 | "E07D3189366F383E" |
"337645A0B92C47ED_330941FBFDD6F5E6_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC2=C(C=C1)CCCN2" | 21 | "E07D3189366F383E" |
"9CF9F6F75E2AD399_48BC340D9584CE12_6031_UN" | "COC(=O)NCCC(=O)OCCC(CN)C1=CC=NC=C1" | 21 | "E07D3189366F383E" |
"E73781903A5CD118_C08047BA72C87E2B_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC(=C1)[S](C)(=N)=O" | 21 | "E07D3189366F383E" |
"A32237C6179E6E7C_0AE6F562E505E216_6031_DP" | "COC(=O)NCCC(=O)OCC1=CC2=C(C=C1)CNCC2" | 21 | "E07D3189366F383E" |
"030040408CE317F7_C6768584FE92A7A1_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=C(C=C1C)C)OC" | 21 | "E07D3189366F383E" |
"0AFE1F9D844EC2E4_F0CFB5353AD8197D_6031_UN" | "COC(=O)NCCC(=O)OCC[N]1C(=CN=C1C)[N](=O)=O" | 21 | "E07D3189366F383E" |
"5CDED8DE011A6A15_48E5FEF4010E433A_6031_UN" | "COC(=O)NCCC(=O)OCCCN1C[C@H](C)O[C@@H](C1)C" | 21 | "E07D3189366F383E" |
"100F50B4F44642CD_BDD0EC6548BE3E84_6031_UN" | "COC(=O)NCCC(=O)OCC2C[N]1C=CN=C1CNC2" | 21 | "E07D3189366F383E" |
"8396722FCEE9E441_F6689D018A0D5E14_6031_UN" | "COC(=O)NCCC(=O)OCC1CC12CCC(F)(F)CC2" | 21 | "E07D3189366F383E" |
"CBADD8A527A1B993_D9179083A58FA438_6031_UN" | "COC(=O)NCCC(=O)OC[C@@]1(C[C@H](C(OCC)=O)C1)F" | 21 | "E07D3189366F383E" |
"4C14F0BBC7D82D8D_AF00AFD84E3D40F7_6031_UN" | "COC(=O)NCCC(=O)OC[C@]1(C[C@H](C(OCC)=O)C1)F" | 21 | "E07D3189366F383E" |
"069356A6615BF169_73A4E40CFF04757E_6031_UN" | "COC(=O)NCCC(=O)OCCNC1C2CCN(C1)CC2" | 21 | "E07D3189366F383E" |
"C42F9508DB161B1E_4E28FBC5F7714A1F_6031_UN" | "COC(=O)NCCC(=O)OCC1C2=C(CNC1)C=CC=C2" | 21 | "E07D3189366F383E" |
"45E21A4870B4D620_E9049BF6423CB1DE_6031_UN" | "COC(=O)NCCC(=O)OCC2CCC1COCCC1C2" | 21 | "E07D3189366F383E" |
"8722775AFBC578F4_9195BA7B8DD56152_6031_UN" | "COC(=O)NCCC(=O)OCCCO[Si](C(C)(C)C)(C)C" | 21 | "E07D3189366F383E" |
"3C476F5B581A2D50_C8C76F0BB06364CC_6031_UN" | "COC(=O)NCCC(=O)OC[C@@H](N)C1=CC(=CC(=C1)Cl)Br" | 21 | "E07D3189366F383E" |
"06583F840A32499E_02DA8244232898BD_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=N[NH]1)C(OCC)=O" | 21 | "E07D3189366F383E" |
"B4826DDF1567BF73_BBA236D696F83488_6031_DP" | "COC(=O)NCCC(=O)OCCC1=CC(=NC=C1N)OC" | 21 | "E07D3189366F383E" |
"2F15AE692CB4F963_3988D39ADA93AF5C_6031_UN" | "COC(=O)NCCC(=O)OCC1CCNC12CCOCC2" | 21 | "E07D3189366F383E" |
"541F8198B5F9C59F_5217FB407F4313F8_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=CC=C1)[S](=O)(=O)F" | 21 | "E07D3189366F383E" |
"AF7611CD07A81A34_7FF37AED798A1053_6031_UN" | "COC(=O)NCCC(=O)OCC(C)(C)CNC1CCNC1" | 21 | "E07D3189366F383E" |
"46C1E09F3C7B31F9_F1E0E93195783D48_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=CC=C1)CCC=C" | 21 | "E07D3189366F383E" |
"EB6B26AB30B7DB84_F158A99C6C83788C_6031_UN" | "COC(=O)NCCC(=O)OCC1CCC1C2=CC=CC=C2" | 21 | "E07D3189366F383E" |
"D8E5110C55279817_9BF9278BE3529555_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC=C(C(C)(F)F)C=C1" | 21 | "E07D3189366F383E" |
"927AFA7A398E341C_953E4AB8DE4980D7_6031_UN" | "COC(=O)NCCC(=O)OCCN2CCC1(COC1)CC2" | 21 | "E07D3189366F383E" |
"EC7B0531EE5396E3_C6AE8E2179817A70_6031_UN" | "COC(=O)NCCC(=O)OCC12CCCCN1CCCC2" | 21 | "E07D3189366F383E" |
"9994F7E6FCBB965A_161FAF8F1D805419_6031_UN" | "COC(=O)NCCC(=O)OCCC(N1CCN(C)CC1)=O" | 21 | "E07D3189366F383E" |
"418FE35945644234_7CF97863BE6626B4_6031_DP" | "COC(=O)NCCC(=O)OCCCCCC1CCNCC1" | 21 | "E07D3189366F383E" |
"128B0898B630FACA_F1656F47623C9012_6031_UN" | "COC(=O)NCCC(=O)OCC1OCCN(CC(C)C)C1" | 21 | "E07D3189366F383E" |
"B8471A90FEE37934_D8A7A64464C889F9_6031_UN" | "COC(=O)NCCC(=O)OCCCCCCCCCC=C" | 21 | "E07D3189366F383E" |
"F68AE7F4FC4ABBA1_1265E8DBB80E3E57_6031_UN" | "COC(=O)NCCC(=O)OCC(C)CC1=CC=C(C=C1)F" | 21 | "E07D3189366F383E" |
"5DCFD247D5D7D471_BEC9A134E3AA8821_6031_UN" | "COC(=O)NCCC(=O)OCCCSC1=C(N)C=NC=C1" | 21 | "E07D3189366F383E" |
"19DFCC251E467F36_EB48341985E8D0F6_6031_UN" | "COC(=O)NCCC(=O)OCCOC1=C(C=CC(=C1)Br)Cl" | 21 | "E07D3189366F383E" |
"7F10B66C0060DA0D_62344C816C9B51E6_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC2=C(N=C1)C=CC=C2" | 21 | "E07D3189366F383E" |
"C3279B7DF5B2D6BF_BCB044449533142E_6031_UN" | "COC(=O)NCCC(=O)OCC(N)C1=CC(=C(C=C1)Br)F" | 21 | "E07D3189366F383E" |
"64EBCC81C0FA8479_8701814098CC10C3_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(N=CC=C1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"325C6AB15207561A_24725B9649E72919_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC=C(C(=C1C)OC)C" | 21 | "E07D3189366F383E" |
"CDB252F2AD09D2E6_DFCD2CFEE31E2EF2_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(C=CC(=C1)Cl)S2" | 21 | "E07D3189366F383E" |
"50AE2554ABE84C95_8F3E84F6AC382417_6031_UN" | "COC(=O)NCCC(=O)OCC1CCCC2=C1N=CC=C2" | 21 | "E07D3189366F383E" |
"54C95C639F9B125E_0B5264AC3FD62D38_6031_UN" | "COC(=O)NCCC(=O)OCC2(C)CC1=C(C=CC=C1)N2" | 21 | "E07D3189366F383E" |
"8E49E9DD5A790787_2755F43D5A894685_6031_UN" | "COC(=O)NCCC(=O)OCC(NC)C1=CC(=CC=C1)F" | 21 | "E07D3189366F383E" |
"05395DDA2CFAF22B_EA5915A679F0FFFF_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=CC=N[N]1CC" | 21 | "E07D3189366F383E" |
"05E9E674A1CCEC14_E7A36729180CC209_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC(=C1)OC(C)C" | 21 | "E07D3189366F383E" |
"9345511CC5C2EA1C_13FB73DF0420EEBF_6031_UN" | "COC(=O)NCCC(=O)OCC(CC1=C[N](C)N=C1)CN" | 21 | "E07D3189366F383E" |
"FE4D615B0AD7378C_E681728B0137A095_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=C(OC)C=C1OC" | 21 | "E07D3189366F383E" |
"50E1C19C22658BBD_4FB8BF37A9083585_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(N(C)C)N=CC(=C1)Br" | 21 | "E07D3189366F383E" |
"B1F09F61413DBD68_BD69F5308B07929B_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)C1=C(C=CC=C1)Cl" | 21 | "E07D3189366F383E" |
"A136F6AD151ED6AE_C6284FF69B6A6055_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=C(OC)C=C1)OC" | 21 | "E07D3189366F383E" |
"C42F9508DB161B1E_981174B925304EB1_6031_DP" | "COC(=O)NCCC(=O)OCC1CNCC2=C1C=CC=C2" | 21 | "E07D3189366F383E" |
"1D06899255A82D6E_7101A6185CD4CF07_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(OC(C)C)C=CN=C1" | 21 | "E07D3189366F383E" |
"1BA5EDB535BC20A8_8BBB1A025852072C_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(N=C(C)S1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"4919979CF700613C_1B961C0D83FF0F25_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=C(OC(C)C)N=C1" | 21 | "E07D3189366F383E" |
"401F81ECB1CFF540_AE807A8E74F56696_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C(C)(C)C)C=CC=C1" | 21 | "E07D3189366F383E" |
"0B7DFCB0E579B08F_8A7B8F2C7910D5F4_6031_UN" | "COC(=O)NCCC(=O)OCCCOC1=NC(=CC=C1)Cl" | 21 | "E07D3189366F383E" |
"5D2D062A5DF6D309_E469F62AE2C0ED71_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(CC)C=CC=C1OC" | 21 | "E07D3189366F383E" |
"2C9FF6E344187641_A9A2B16301A67BA2_6031_UN" | "COC(=O)NCCC(=O)OCC1=COC2=C1C(CCC2)=O" | 21 | "E07D3189366F383E" |
"7FEE8D9F3D50DE2F_473572C5C199F559_6031_UN" | "COC(=O)NCCC(=O)OCC3CN1CC2CC1(C2)CO3" | 21 | "E07D3189366F383E" |
"FCDC15CBD0CEA938_6AC7EA55A06E80F5_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)CC1=NC=CC=C1" | 21 | "E07D3189366F383E" |
"FF1BC81D11F72613_9D2AB190003DBC3F_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)C#CCF" | 21 | "E07D3189366F383E" |
"CE46C4A224DBB4D5_102FED18225DA2E1_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(N=CC(=C1)C(C)C)Cl" | 21 | "E07D3189366F383E" |
"BB429A78270EFDC9_11F47EA84DDD89B5_6031_UN" | "COC(=O)NCCC(=O)OCC(N)C1=CC(=C(C=C1)Cl)F" | 21 | "E07D3189366F383E" |
"FCC3C14BE2BC380A_03C3DEAA68A3A27B_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=C2C=CC(=N[N]12)Cl" | 21 | "E07D3189366F383E" |
"FF24878CBA8D4CA8_A4743296DBF92C3C_6031_UN" | "COC(=O)NCCC(=O)OC[C@H]1NCC[C@@H](C(C)(C)C)C1" | 21 | "E07D3189366F383E" |
"631C908C7ACFC4DF_BEA083C0D2A6356C_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=CC=C(C)C=C1" | 21 | "E07D3189366F383E" |
"63483162ED6CBFFB_9E422FB3C284AE83_6031_UN" | "COC(=O)NCCC(=O)OCCC(N)C1=CC=C(C=C1)Cl" | 21 | "E07D3189366F383E" |
"972B178B854AF8E9_67B29EC485387E48_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=CC=C1)OC(F)F" | 21 | "E07D3189366F383E" |
"DC419C877DFB539B_E1CAAC52538DB820_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(OC(=C1)C)C(F)(F)F" | 21 | "E07D3189366F383E" |
"1F21941FF5982700_E2F5A0936F629731_6031_UN" | "COC(=O)NCCC(=O)OC[C@@]1(C)COC[C@H]2CCCN12" | 21 | "E07D3189366F383E" |
"5FC90770659004D8_F199546D420BC9D9_6031_UN" | "COC(=O)NCCC(=O)OCC(C1=CC(=CC(=C1)C)C)N" | 21 | "E07D3189366F383E" |
"7C67B2EC79489F11_7CC553B8C0B59B7A_6031_UN" | "COC(=O)NCCC(=O)OCC1CCC(OC(C)C)CC1" | 21 | "E07D3189366F383E" |
"92B61209C1A97F8D_EC0C2F2372F35825_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=C(OC)C=C1)OC" | 21 | "E07D3189366F383E" |
"D8C3AFDC19E71761_F64378BE474AF857_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=CC=N1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"26798B18841C0325_7B4073FC3674DABC_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=CC(=C1)N=[N]#N)F" | 21 | "E07D3189366F383E" |
"9F2B7099871F99DA_40EDC5B57F9C5D2B_6031_UN" | "COC(=O)N(C)CCCC(=O)OC1=COC(=CC1=O)CCl" | 21 | "2ABD1A31041160FA" |
"C4E87DF78A626467_729241286A65474A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=C(C)C=C1)N" | 21 | "2ABD1A31041160FA" |
"1D37BFC230B9BB40_CAFEC1B501DAEFDE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC[N]1N=C(C)C=C1N" | 21 | "2ABD1A31041160FA" |
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