product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"E476C2EAC9A9B579_0E838D91D6495260_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(OCC)C=CC(=N1)C" | 21 | "637509AE39023DDD" |
"89C17B3B6EF81E0F_46EEBBCEE252FAE5_6031_UN" | "CN(C)CCCCC(=O)OC[C@@H]1CCCN[C@@H]1C(F)(F)F" | 21 | "637509AE39023DDD" |
"74B83D4C977E083E_7CC1A99240C071B8_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C)C(=N[NH]1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"3369656D4C5EA52A_D4250B09765EDB34_6031_UN" | "CN(C)CCCCC(=O)OCCC(N)C1=C(C=CC=C1)F" | 21 | "637509AE39023DDD" |
"6049F10F490FD411_FB72056E367D0B31_6031_UN" | "CN(C)CCCCC(=O)OCCOCC1=CC(=CC=C1)F" | 21 | "637509AE39023DDD" |
"E80350627660BE18_328C04BE159BF948_6031_UN" | "CN(C)CCCCC(=O)OCCC1=NSC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"5FCFD1685F7359C2_708E65CBF5B9BA54_6031_UN" | "CN(C)CCCCC(=O)OCCCC1=C(C=CC=C1F)F" | 21 | "637509AE39023DDD" |
"6FC0AF4187701D48_BA51BDEA2915C9F6_6031_UN" | "CN(C)CCCCC(=O)OCC1CN(C(C)(C)C)C(C1)=O" | 21 | "637509AE39023DDD" |
"B087116D9171D6D1_C50F26748AB71C3D_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C2=C(O1)C=CC=C2)Br" | 21 | "637509AE39023DDD" |
"B8213F7BCBECCDFF_4CE5D2563B1D63FF_6031_UN" | "CN(C)CCCCC(=O)OCC(C1CC(OC)CCC1)N" | 21 | "637509AE39023DDD" |
"47C0E98F56564AD0_FE9E481A1591DEF8_6031_UN" | "CN(C)CCCCC(=O)OCC(F)(F)CN1CCNCC1" | 21 | "637509AE39023DDD" |
"A5EE1CD1003AD310_F375053DA9EA26A0_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=CC=C1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"5BC2BDDF1FDE1A47_61B0B9D23E2265D2_6031_UN" | "CN(C)CCCCC(=O)OCC(C1=CSC(=N1)C(C)C)N" | 21 | "637509AE39023DDD" |
"7BB6CDF6088138C0_6C88A4CAABC19FFB_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C)OC(=C1)C(OC)=O" | 21 | "637509AE39023DDD" |
"D2455C1A673EBC92_986E7A1F89E2329C_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=C(N=C1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"602818716A4506B5_FD0CF1141355BE5D_6031_UN" | "CN(C)CCCCC(=O)OCCCC1(C)C(=NNC1=O)N" | 21 | "637509AE39023DDD" |
"6EAD3A3B5336A928_02B5822F5E8850EB_6031_UN" | "CN(C)CCCCC(=O)OCC2CCC1(CCCC1)CN2" | 21 | "637509AE39023DDD" |
"D8B61174CC415E4B_723563FCE931A5B3_6031_UN" | "CN(C)CCCCC(=O)OCC(C1=CC=CC(=C1)OC)N" | 21 | "637509AE39023DDD" |
"B66E9AF329F94F3D_813314BB8DE3F2DD_6031_UN" | "CN(C)CCCCC(=O)OCC1CCCC(C1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"2B12E287E7EC0633_7562FB12168ADDFC_6031_UN" | "CN(C)CCCCC(=O)OCCC1=N[N](C(C)(C)C)N=N1" | 21 | "637509AE39023DDD" |
"79FD21A9BCA3111A_05C6D7DD1B5087FE_6031_UN" | "CN(C)CCCCC(=O)OC[C@@H](C1=CC=CC(=C1)OC)N" | 21 | "637509AE39023DDD" |
"6763B1BBEB2F190D_CBBD0B31C9B037BC_6031_UN" | "CN(C)CCCCC(=O)OCC2CCC1=NN=N[N]1CC2" | 21 | "637509AE39023DDD" |
"D092BFBBBF74C45A_54EA1DA536256D1C_6031_UN" | "CN(C)CCCCC(=O)OCC(C[S](C)(=O)=O)(CN)CCl" | 21 | "637509AE39023DDD" |
"F6D7CFC477551B66_9D7C83D7A1CC1B6D_6031_UN" | "CN(C)CCCCC(=O)OC[C@@H]1C[C@H]1C2=CC=C(C=C2)F" | 21 | "637509AE39023DDD" |
"259A386A66ED468D_AF4B4331B2D5B186_6031_UN" | "CN(C)CCCCC(=O)OCCCOCCOCCOC" | 21 | "637509AE39023DDD" |
"6A66CAD3B2B96098_0859D7CEB0F94573_6031_UN" | "CN(C)CCCCC(=O)OCC(N)C1=C(C=C(C=C1)F)F" | 21 | "637509AE39023DDD" |
"93F8004BBD82FCE5_2BFC29A9A2B1A8F8_6031_UN" | "CN(C)CCCCC(=O)OCCC1CCC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"B9B1B6AF791DC0AE_886326CFE6A965A3_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC2=C(C=C1)OC(C)C2" | 21 | "637509AE39023DDD" |
"6E954AF2ABF43AB9_18622588109EC850_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=C(C(C)(C)C)N=C1" | 21 | "637509AE39023DDD" |
"5F4B8D1AABD85882_607A1016D3026E86_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=C(C(OC)=O)C=N1" | 21 | "637509AE39023DDD" |
"FEE9D34EACA95265_50C0E1159FB53DB8_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CC2=C(C=C1)OCC2" | 21 | "637509AE39023DDD" |
"C4BE4CB9CC37FD1B_67374C1115129D38_6031_UN" | "CN(C)CCCCC(=O)OCC1=NN=C2CCOCC[N]12" | 21 | "637509AE39023DDD" |
"5DBCC2FC7179C7B2_6F2CF5468437D400_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=C(SCC)C=C1)Br" | 21 | "637509AE39023DDD" |
"CF3F40052BB9E363_C20DB58B18046DC6_6031_UN" | "CN(C)CCCCC(=O)OCC#CC1=C(C(=CC=C1)F)F" | 21 | "637509AE39023DDD" |
"B65E16D598F946AE_BFCB50B5270E570A_6031_UN" | "CN(C)CCCCC(=O)OCCCCC1=CC(=CC=C1)Cl" | 21 | "637509AE39023DDD" |
"F09B21645D6029FD_D1A4C8A005B73F39_6031_UN" | "CN(C)CCCCC(=O)OC[C@@H]2CC1=C(C=CC=C1)CO2" | 21 | "637509AE39023DDD" |
"07411250346BD4BA_59D5EF2070C3499D_6031_UN" | "CN(C)CCCCC(=O)OCC2CCC1(CCOCC1)O2" | 21 | "637509AE39023DDD" |
"AFDF85991529FCCB_A4FEF5F42FCD6E8A_6031_UN" | "CN(C)CCCCC(=O)OCC(OC)C1=CC=C(C=C1)F" | 21 | "637509AE39023DDD" |
"5BD83B305FE44E6C_8DCE59DE766A4775_6031_UN" | "CN(C)CCCCC(=O)OCC1CCN1C2CCCCC2" | 21 | "637509AE39023DDD" |
"9E97B3D45631F761_372D8A7F891DF390_6031_UN" | "CN(C)CCCCC(=O)OCC(N)C1=C(C(=CC=C1)Cl)Cl" | 21 | "637509AE39023DDD" |
"A9202CF709E990FD_981FCB5E615D6B9E_6031_UN" | "CN(C)CCCCC(=O)OCC2=N[N]1C=C(C=NC1=N2)Br" | 21 | "637509AE39023DDD" |
"0541ACAD09E36805_2DAD9695B31B8CC0_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CC2=C(C=C1)CCC2" | 21 | "637509AE39023DDD" |
"B6FE7143E6238AA4_55BE212F988B70A3_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=C2C=CC(=C[N]12)F" | 21 | "637509AE39023DDD" |
"C5B80CD11724DD30_79C2B85427074CBE_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CC(=CC(=C1)OC)Cl" | 21 | "637509AE39023DDD" |
"826AD9E31DEB2938_46BF4BE235AB8119_6031_UN" | "CN(C)CCCCC(=O)OCC2CCC1(CCCCC1)O2" | 21 | "637509AE39023DDD" |
"5CDF2650A4A1CA23_7C9C26FCDC9D2BB4_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=C(C=C(C=C1)Br)Cl" | 21 | "637509AE39023DDD" |
"5A229B38987249E7_C135F272C8241098_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=NO1)C(OCC)=O" | 21 | "637509AE39023DDD" |
"65E3A95B90CB25C9_DCC3CE1E365A3A30_6031_DP" | "CN(C)CCCCC(=O)OCC2=C[N](C1CCNC1)N=N2" | 21 | "637509AE39023DDD" |
"B35E60709ED3548E_CD2D51CC51835860_6031_DP" | "CN(C)CCCCC(=O)OCC(N)(C)CC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"42796CEDE8505552_7D543678BB6FAE02_6031_UN" | "CN(C)CCCCC(=O)OCC1OCCC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"98BC9705C9DB4C31_90D5BE4CDD701084_6031_UN" | "CN(C)CCCCC(=O)OCC1CC2(CO1)CCNCC2" | 21 | "637509AE39023DDD" |
"C9DF1081EBF38867_8C00FDE36195DA8D_6031_UN" | "CN(C)CCCCC(=O)OCC1CC2(CO1)CCOCC2" | 21 | "637509AE39023DDD" |
"8F3A3E2CB25C3B48_4A442A3039C40370_6031_UN" | "CN(C)CCCCC(=O)OCC1=CSC(=N1)C2CCCO2" | 21 | "637509AE39023DDD" |
"FE977C9B3C65C7E2_D3146BB0EF7BC4FD_6031_UN" | "CN(C)CCCCC(=O)OCCCCCN1CCNCC1" | 21 | "637509AE39023DDD" |
"222A496E2FB7478E_8B7C79ED1A387C89_6031_UN" | "CN(C)CCCCC(=O)OCC2=C1N=CC=CC1=CC=C2" | 21 | "637509AE39023DDD" |
"0512131E226878B7_F45F9D34FE3FBEE3_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CSC(=C1)C(OC)=O" | 21 | "637509AE39023DDD" |
"7A51146BE1279BA8_8A3051795123DAD6_6031_UN" | "CN(C)CCCCC(=O)OCCC2=CC1=C(C=CC=C1)[NH]2" | 21 | "637509AE39023DDD" |
"14486AD40C7D8CEB_6CCC054C8FC5D051_6031_UN" | "CN(C)CCCCC(=O)OCC(C)(N)C1=CC(=CC=C1)N" | 21 | "637509AE39023DDD" |
"F15BACE77B22F2B1_3FFB6822CAF56EEC_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(OC)C(=C1)Br)Br" | 21 | "637509AE39023DDD" |
"A21F0C076974DA3F_47BA9B96ACBE1692_6031_UN" | "CN(C)CCCCC(=O)OCC2(CC1CO1)CCOCC2" | 21 | "637509AE39023DDD" |
"0BE0651B5AA548F6_2D98975F06D85F6B_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC2=C(C=C1)C=NC=C2" | 21 | "637509AE39023DDD" |
"E4CD7087F9F30284_4A86CB51C4CE2F92_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(SC)C(=C1)F)F" | 21 | "637509AE39023DDD" |
"D19A262EFC9DE4B3_1C2B01A97B04F3FA_6031_UN" | "CN(C)CCCCC(=O)OCC(NC)C1=C(C=CC=C1)C" | 21 | "637509AE39023DDD" |
"7554F2CCA2AA6FB8_D6ECA4036B9AC947_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC(=CS1)C2OCCO2" | 21 | "637509AE39023DDD" |
"288EF443E4A29CD9_DDBD667BDB33F1AC_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(N=CC(=C1)[N](=O)=O)Br" | 21 | "637509AE39023DDD" |
"E005AEC3D954E97D_BD55E2D01DBD5139_6031_DP" | "CN(C)CCCCC(=O)OC[C@@H]1CNC[C@H]1C2=CSC=C2" | 21 | "637509AE39023DDD" |
"54B5EFAE1C69B74E_CC151C37CB4875CC_6031_DP" | "CN(C)CCCCC(=O)OCC1(CN)COCC(C)(C)N1" | 21 | "637509AE39023DDD" |
"3005243BF2C30857_1D631939FABF2659_6031_UN" | "CN(C)CCCCC(=O)OCC1=NOC2=C1C=CC(=C2)Cl" | 21 | "637509AE39023DDD" |
"05E64DFC1E940FF2_0C5561DFE996C179_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C([NH]1)C)C(OC)=O" | 21 | "637509AE39023DDD" |
"7B82AF7C1BCB6023_DD427512FEAC9F58_6031_UN" | "CN(C)CCCCC(=O)OCC1(CN(C)C)COCCN1" | 21 | "637509AE39023DDD" |
"99FC00F8A410A283_0FD511B8F94D5A83_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC(=C(N(C)C)O1)C#N" | 21 | "637509AE39023DDD" |
"CB3C9F4DB37304BD_0A3EC046D351BB10_6031_UN" | "CN(C)CCCCC(=O)OC[C@@H]1C2=C([C@H](N)C1)C=CC=C2" | 21 | "637509AE39023DDD" |
"B11CDA8B669318C1_90B7CC24FA36EF2E_6031_UN" | "CN(C)CCCCC(=O)OCC1=NN=C([N]1C)C(F)(F)F" | 21 | "637509AE39023DDD" |
"6EAC3F510EB798A7_1398A914CD9CBBD7_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=CC(=C1OC)OC" | 21 | "637509AE39023DDD" |
"0798F35D6E100DBA_0D1DE0D11D40A962_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(C(=C1)C)CN)C" | 21 | "637509AE39023DDD" |
"7FF09F2AD27183E3_99301EF538EFCF0C_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=CC(=C1)OC)OC" | 21 | "637509AE39023DDD" |
"F065D95188121A80_B1623D829AA86DA7_6031_UN" | "CN(C)CCCCC(=O)OC[C@H](N)CCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"403512223BE6501A_15FFF20A24C5DCB6_6031_UN" | "CN(C)CCCCC(=O)OC[C@@H](N)CCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"B769588DE80263D7_00090B1AF7FE718C_6031_UN" | "CN(C)CCCCC(=O)OCC12CCCC1(OC)OCC2" | 21 | "637509AE39023DDD" |
"2367E94D039605F5_3BF7E5F3B4EA23E0_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC2=C(C=C1)C=CC=N2" | 21 | "637509AE39023DDD" |
"0E943358BE790E46_FA4AF227B5F82AFD_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C)OC(=C1)C(C)(C)C" | 21 | "637509AE39023DDD" |
"F4FDFEDA7E87B4C9_A3A5BA4DBB02968D_6031_UN" | "CN(C)CCCCC(=O)OCCN1CCCC2NCCC12" | 21 | "637509AE39023DDD" |
"C11784AFAE339A53_414B8C9498993594_6031_UN" | "CN(C)CCCCC(=O)OCC1(CCNCC1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"467B3974949EE72C_6C67A2F38E1A5CE1_6031_UN" | "CN(C)CCCCC(=O)OCC1=CSC(=N1)C2OCCO2" | 21 | "637509AE39023DDD" |
"1E69C843CF49251E_133991F1FBC998E0_6031_UN" | "CN(C)CCCCC(=O)OCC(CCCCCCCC)N" | 21 | "637509AE39023DDD" |
"363B68CDF99906FA_A0B298A829F2020B_6031_UN" | "CN(C)CCCCC(=O)OCC12N(CCNC1)CCOC2" | 21 | "637509AE39023DDD" |
"B93212B8F108085E_E306648C7144242C_6031_UN" | "CN(C)CCCCC(=O)OCC1CCN1C2CCOCC2" | 21 | "637509AE39023DDD" |
"D2C99E1AEAE718E4_0CC332D32CA7282A_6031_UN" | "CN(C)CCCCC(=O)OCC(F)(F)C1=CC=C(C=C1)F" | 21 | "637509AE39023DDD" |
"1843C5539DEDE98D_0F4B4F5EA3463708_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=CC(=C1)C(OC)=O" | 21 | "637509AE39023DDD" |
"772D9CF2A50A788D_D020AB5EF369C30A_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=C(OC)C=C1)OC" | 21 | "637509AE39023DDD" |
"79FB2093F05143AB_564F49FC75383CF7_6031_UN" | "CN(C)CCCCC(=O)OCC1(CCC1)C2CCCCO2" | 21 | "637509AE39023DDD" |
"9626D4EB04521F07_411040E25BF8A312_6031_UN" | "CN(C)CCCCC(=O)OCC1CC2CCC(C1)[S]2(=O)=O" | 21 | "637509AE39023DDD" |
"6EAD3A3B5336A928_5C84E2420FF41F64_6031_DP" | "CN(C)CCCCC(=O)OCC1CCC2(CN1)CCCC2" | 21 | "637509AE39023DDD" |
"8107890F58F37130_EA92EDCE42C4D035_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CC2=C(C=C1)OCO2" | 21 | "637509AE39023DDD" |
"84C9648B2C0605F2_1CB33B56340F4C04_6031_UN" | "CN(C)CCCCC(=O)OCC(C)(N)C1=CC(=CC=C1)Br" | 21 | "637509AE39023DDD" |
"3D8A53B2479F5E28_AA0F5E5E95BC6366_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=NN=C1C2CC2)C" | 21 | "637509AE39023DDD" |
"D9292B2A84CF3513_FD9C977D4AD347E0_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(CC(C)C)C=CC=C1" | 21 | "637509AE39023DDD" |
"EFB5F7036A212D9A_471E9134C739F5E4_6031_UN" | "CN(C)CCCCC(=O)OCCOC1CC[S](=O)(=O)CC1" | 21 | "637509AE39023DDD" |
"F8D758EAB86EE2FD_A9A5F6BCDCF72167_6031_DP" | "CN(C)CCCCC(=O)OCC1CNCC12CCNCC2" | 21 | "637509AE39023DDD" |
"38963693DB46C221_47F2DC32373FB654_6031_UN" | "CN(C)CCCCC(=O)OCCOC1(CN)CCCCC1" | 21 | "637509AE39023DDD" |
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