product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"899ADF9ED6ED6DA2_085EAE0907B430A0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC[N]3N=C(C=C3C)N" | 21 | "8F3229890AEE7886" |
"0C5AD622089DDC5B_71BA013079F5649C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCN(C)CC(F)F" | 21 | "8F3229890AEE7886" |
"6F0BD3F729516D0F_2A8E1F9554403FB4_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CON=C3C4CC4" | 21 | "8F3229890AEE7886" |
"6551CA641BB9FD8F_62CABC3A4C8CF0DF_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=N[N](C(=C3C)Br)C" | 21 | "8F3229890AEE7886" |
"38AE477292637EB7_EE86A3C4F67D8F31_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C[N](N=C3OC)C" | 21 | "8F3229890AEE7886" |
"5B194ECB766CD540_3F2A03AD329AF0C5_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCN3CCC(F)C3" | 21 | "8F3229890AEE7886" |
"E7E0D4DF3F8F43E1_C25618FC1D56B389_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCC=CCC3" | 21 | "8F3229890AEE7886" |
"C368F745D6706D8E_CA9CF5B3EE21AEC5_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC34CC(CN)(C3)OC4" | 21 | "8F3229890AEE7886" |
"AB1B3F9558738C01_93C7557EC9F11988_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C)NNC3=O" | 21 | "8F3229890AEE7886" |
"64B2AC0F0F1589FA_2B022D04B3C90F6F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC4C[C@H]3CC(N)[C@H]3C4" | 21 | "8F3229890AEE7886" |
"F6A53586FDC4F10D_AC58274A0364A65D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(CCN)OC=N3" | 21 | "8F3229890AEE7886" |
"B3251E888BAD6452_75125E6ECA83F219_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=NC(=C3)Br)Br" | 21 | "8F3229890AEE7886" |
"7DE2C5B44A01AB9B_EB0C112EEE6BD86B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C(C)C)OC=N3" | 21 | "8F3229890AEE7886" |
"0F10ACD513503501_C935779623A1F3CD_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=C(CN)C=C3" | 21 | "8F3229890AEE7886" |
"58D5AC06E1A498CE_CC1BD5134CFAC4FA_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NOC(=N3)C4CC4" | 21 | "8F3229890AEE7886" |
"0D2502545B1308B9_3510AC3751F309C7_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC4=CC3CCC(N3)C4" | 21 | "8F3229890AEE7886" |
"BBD36B67C482ADD8_7F5287E8A165FDCB_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOC3(CN)CCC3" | 21 | "8F3229890AEE7886" |
"FDF29CBCC827E78B_2CFC23FF54DDF3BD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC[C@H]3CCC[C@@H](C)N3" | 21 | "8F3229890AEE7886" |
"4F0E97ACE23E8E52_5BC1D50CC97A5217_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C(C(C)C)N)(C)C" | 21 | "8F3229890AEE7886" |
"96A35E0E0EB2BAAA_CDA5C651378A2A62_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC4C[C@H]3C[C@@H](N)[C@H]3C4" | 21 | "8F3229890AEE7886" |
"389E4F03CA51A394_8CCB72A0512BA24C_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@@H](N)CC3=C[NH]C=N3" | 21 | "8F3229890AEE7886" |
"B0BEC71937EC5924_6EFB60E50F74CB4E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NN=C[N]3C(C)C" | 21 | "8F3229890AEE7886" |
"F066D388E1CC8296_950ECBF4D776E794_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCSSCC(OC)=O" | 21 | "8F3229890AEE7886" |
"31E9DCE022776BDC_72DD384B0D02D7B2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CNCCC3(C)C" | 21 | "8F3229890AEE7886" |
"B641107E74B9FEC6_17235987F5746707_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC3=COC(=CC3=O)CN" | 21 | "8F3229890AEE7886" |
"95AF1E5E523A3D18_FF8E322F8FFD4FA8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=CC(=C3)C#N" | 21 | "8F3229890AEE7886" |
"5BFB0391165C0985_FA6EA8CC94CBD50B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)CC3=NC=CS3" | 21 | "8F3229890AEE7886" |
"7B5352FD69E7EF10_EC4D4462A5F206B0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C=C3)Cl)F" | 21 | "8F3229890AEE7886" |
"5B6F5FEFD3EE05CF_BEDA582242327DEB_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CNCC34CNC4" | 21 | "8F3229890AEE7886" |
"0851870F912EDA44_9C461ABA280C48E3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NOC(=C3)COC" | 21 | "8F3229890AEE7886" |
"BDF241B5FBF9BE26_520BAD851436DFD6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3C(=O)CCC3=O" | 21 | "8F3229890AEE7886" |
"5303DCE3AF76F1E3_B2E68B8B7B7CA47D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C([N](CC)N=N3)C" | 21 | "8F3229890AEE7886" |
"0F5B46109AA12E55_799DC62E48D4AAFA_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3COCC(C)(C)O3" | 21 | "8F3229890AEE7886" |
"E6C0AF0B75575855_E5583F32DC5F9EF1_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3C(CNCC3)(F)F" | 21 | "8F3229890AEE7886" |
"3F3A06511792BB19_4311723B456EFC8E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CC4CCC(C3)N4" | 21 | "8F3229890AEE7886" |
"B959E83C0936A357_D3A59D44BA907D16_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C=C3)Br)Br" | 21 | "8F3229890AEE7886" |
"11E97E792AE970D5_A6FFB74470F1C11E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C=CC=C3)Cl" | 21 | "8F3229890AEE7886" |
"F2B9EDFE3CD99808_A24D1F6F3BE29FC9_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC(=C(C)C=C3)F" | 21 | "8F3229890AEE7886" |
"795646A64FA7D9BD_46FD83C9164514C7_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C(=CC=C3)Br)Br" | 21 | "8F3229890AEE7886" |
"3AC039F6F4EE1D13_DBFB5C3695D7C413_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C)C=CC=C3" | 21 | "8F3229890AEE7886" |
"91D40EA137D2A587_893339C9B9C0D288_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC(CC(C)(C)C)N" | 21 | "8F3229890AEE7886" |
"C9AD34E1AE723E37_D276D2341ABF85F9_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CNC(C3)(C)C" | 21 | "8F3229890AEE7886" |
"2BD0DD36F516EC51_09E36E170BF9A049_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC(=CN=C3)Br" | 21 | "8F3229890AEE7886" |
"B4FA60B2A773D377_D30B2B475025F214_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC34CC(CO3)CCC4" | 21 | "8F3229890AEE7886" |
"E174500B90E08B80_AC8C62C0F37E4A3D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3C(F)(F)C34CCC4" | 21 | "8F3229890AEE7886" |
"F73B6410C6EF5B98_365A396FDD6D97AB_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC(C)(N)C(F)(F)F" | 21 | "8F3229890AEE7886" |
"902B17C9FE2E3C75_0D1568026DDDD7FD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C=NC=C3)F" | 21 | "8F3229890AEE7886" |
"6757F496B9F11CC7_866DAC5BC87FB131_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCCC3CCCC3" | 21 | "8F3229890AEE7886" |
"7536ED3B7931106E_2F7D619A668D9F59_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CCCCN3C" | 21 | "8F3229890AEE7886" |
"EBA7CC16A75BD59A_2892AC1B792FE4F7_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(N=C(C)N=C3)C" | 21 | "8F3229890AEE7886" |
"B13D604790CC0AF2_A776AEEDB3A9210C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(COC)CCCO3" | 21 | "8F3229890AEE7886" |
"62269F2B1D7229DA_A13FE8FB4DFA8CAB_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CC)CCCN3C" | 21 | "8F3229890AEE7886" |
"1F7D877E15E5AE6F_5399C73F994AF455_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(NC)CCSCC3" | 21 | "8F3229890AEE7886" |
"9B6B7FF0F8CCEBD0_B81067D91396DADD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CC)CCOCC3" | 21 | "8F3229890AEE7886" |
"8B9B020574214A51_C77FC85023E0E9CA_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C=C3)Cl)C" | 21 | "8F3229890AEE7886" |
"A897B8F76E112310_E892736629547F41_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCN3CCNCC3" | 21 | "8F3229890AEE7886" |
"231A30279839E856_22C80D19351FF8F1_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CCCNCC3" | 21 | "8F3229890AEE7886" |
"06DC019EA408EECE_D22D3FC401B2D9E6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCCC3CCCO3" | 21 | "8F3229890AEE7886" |
"B656AA22946FD223_E4349FFA6D5E5971_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CCC(C)CC3" | 21 | "8F3229890AEE7886" |
"CEEF17284735A5A4_FEEE4FAB566F2118_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC(=N[N]3C)Br" | 21 | "8F3229890AEE7886" |
"1CFAEB68AAADCB0A_F632B9A6EA6A7D04_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(OC(=C3C)C)C" | 21 | "8F3229890AEE7886" |
"45EA6BF5A79307ED_ABC891EBB81465B3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@H]4N[C@H]3CCO[C@H]3C4" | 21 | "8F3229890AEE7886" |
"79D293FF5BDE8486_2A4BCFD430967ECD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)(C)C3=N[NH]C=C3" | 21 | "8F3229890AEE7886" |
"4BD9D0712BB7F055_674EE86F5731FD4A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC4C3=C[NH]N=C3CN4" | 21 | "8F3229890AEE7886" |
"ECE55F040D268651_83F655D456B43DA1_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3(CCC3)C#N" | 21 | "8F3229890AEE7886" |
"96FE500C140B6F6D_1F2771C457310CE0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)(C)C3CCCO3" | 21 | "8F3229890AEE7886" |
"B023C3F7A3F781B4_2BF0E48FC2B4FD17_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCCC3(C)C)N" | 21 | "8F3229890AEE7886" |
"0BC2B8214617011A_864DF9C422EDF124_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(ON=C3)C4CC4" | 21 | "8F3229890AEE7886" |
"E13E9BC04B53DDF5_7C4BF44937D0358E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(OC)N=CC=N3" | 21 | "8F3229890AEE7886" |
"C368F745D6706D8E_FB949E9F11AF3F89_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC34CC(CN)(C3)OC4" | 21 | "8F3229890AEE7886" |
"06A2703C30BA9530_36E74CB7CF08AAA6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=CC=C3Br)Br" | 21 | "8F3229890AEE7886" |
"31E9DCE022776BDC_D472DE2A79216C1C_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC3C(CCNC3)(C)C" | 21 | "8F3229890AEE7886" |
"F84B3D3519216A13_9AA00EEAD22DCF52_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC[N]3C=C(CN)C=N3" | 21 | "8F3229890AEE7886" |
"0F10ACD513503501_62CB1DEC4B1794C2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=C(CN)C=C3" | 21 | "8F3229890AEE7886" |
"C5444612478C6C0C_5D42DFF38995EA76_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCCCCN=[N]#N" | 21 | "8F3229890AEE7886" |
"4D49C3C4AFC49C42_39CC68B9E901FE1F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C3=NC(=NO3)C)N" | 21 | "8F3229890AEE7886" |
"D0F57E47154254D6_A09CAACF44316989_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCC(F)(F)CO3" | 21 | "8F3229890AEE7886" |
"0C27D3997F0E0D21_CB5B8E0FF0079855_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3CCCCO3" | 21 | "8F3229890AEE7886" |
"15CF67D1AE597CF2_53713067336F6F04_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(OC=N3)C4CC4" | 21 | "8F3229890AEE7886" |
"B418C08A38C265C2_FC01791F4543BA40_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=CC(=C3)C)F" | 21 | "8F3229890AEE7886" |
"27CB359EEECCD9C7_2F99C20E91107D86_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(OC)CNCCC3" | 21 | "8F3229890AEE7886" |
"D6AFA9E748233FD9_2F40008A8FD74E60_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CNCCN(C)C3" | 21 | "8F3229890AEE7886" |
"4303A62A62538A64_BBAB6DB688B00152_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3NCC4(C3)CCC4" | 21 | "8F3229890AEE7886" |
"CB8C8A9E66ED1A5C_98AB2179C54552A3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC=CCCCCCC" | 21 | "8F3229890AEE7886" |
"55FA9BD560EE0D43_946C1F6D5D90C2CA_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCSC3CCCCC3" | 21 | "8F3229890AEE7886" |
"167D04ECE7178CDE_D307F162B1125DAD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@H](C3=N[NH]C(=N3)C)N" | 21 | "8F3229890AEE7886" |
"058770272893015E_9DE193163BB50063_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CN=C4CCC[N]34" | 21 | "8F3229890AEE7886" |
"B2CA45F4F9A36645_C1BF7306DB5F8049_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC34CC(CN3)CCC4" | 21 | "8F3229890AEE7886" |
"32E6EF18C1FF27CC_EB0916230CEE8B94_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CCCC4CC34" | 21 | "8F3229890AEE7886" |
"67570C0A26CC1687_D932E7B242FF01C0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CC(C)(CC3)C)N" | 21 | "8F3229890AEE7886" |
"6CD837DC2D1D624A_ACCAE91B22A85587_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC(C)(C)C(F)(F)F" | 21 | "8F3229890AEE7886" |
"D4B4FF2085CFE355_10F0BF165EB7E993_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3=C(C)N=CS3" | 21 | "8F3229890AEE7886" |
"DC2BF4340D7B68AC_8C6984898BD4D836_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CN)C4(C3)CCC4" | 21 | "8F3229890AEE7886" |
"057E8D01E866F025_88304BB01FEEC3A6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CN=C(C=C3)Cl" | 21 | "8F3229890AEE7886" |
"48CCF892D8538911_2573C82195F242AF_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C)N=C(C=C3)Cl" | 21 | "8F3229890AEE7886" |
"849CD6F25A818A87_377926DF89C40F52_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)CC3CCOC3" | 21 | "8F3229890AEE7886" |
"3042E37CE0FC7978_2024B0DAC2374C2F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@H]4N[C@H]3CCC[C@H]3C4" | 21 | "8F3229890AEE7886" |
"8118E8E1BA1B7C98_E1C0D248832770DE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CC=C)CC=CC3" | 21 | "8F3229890AEE7886" |
"634C8CF24600F419_E28971E2B3262E17_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CC4(CCN3)CC4" | 21 | "8F3229890AEE7886" |
"16BC8F45AA320EDA_7858D68FF309466D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC[N]3N=CC(=C3N)Br" | 21 | "8F3229890AEE7886" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.