product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"E6F590E1E8E48FC4_218E83885F9F0BC1_6031_UN" | "COC(=O)NCCC(=O)OC1=C(CC)N(C=CC1=O)CC" | 21 | "E07D3189366F383E" |
"4314DF9F46860C3E_B2E6DCFEBE756A56_6031_UN" | "COC(=O)NCCC(=O)OCC(COC(C)=O)OC(=O)C" | 21 | "E07D3189366F383E" |
"621C58C8AEC5CC2E_0853573F354BB997_6031_UN" | "COC(=O)NCCC(=O)OCCC(C1=CC=C(C)C=C1)N" | 21 | "E07D3189366F383E" |
"B5CA1321BD9A7540_76F88CE8C1B47674_6031_UN" | "COC(=O)NCCC(=O)OC[C@@H]1C[C@@H](CC[C@H]1C(C)C)C" | 21 | "E07D3189366F383E" |
"BC0DF6DAC00AE3DC_6C6317F8916316FD_6031_UN" | "COC(=O)NCCC(=O)OCC1NCC2(C1)CCOCC2" | 21 | "E07D3189366F383E" |
"F3023E89B53BDE3A_0AA5E7B62DE0F125_6031_UN" | "COC(=O)NCCC(=O)OCC1(CN)CC2CCC1CC2" | 21 | "E07D3189366F383E" |
"911E255D6409C5C4_6609D9CC309480B6_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN(C(OC)=O)CCC1" | 21 | "E07D3189366F383E" |
"B7E8D40A6E18BD17_DB065CA66EF72220_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=CC(=CN=C1)Br" | 21 | "E07D3189366F383E" |
"40D63366B6E4EF72_A02F455AAA423006_6031_UN" | "COC(=O)NCCC(=O)OC[C@H]1[C@@H](CNC1)C2=CSC=C2" | 21 | "E07D3189366F383E" |
"B37915CF3A63CBC8_4982648EFDA5B861_6031_UN" | "COC(=O)NCCC(=O)OCC12CCC(CC1)(C#C)CC2" | 21 | "E07D3189366F383E" |
"2B4322F67779BE35_016DB038FBFA7E06_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(C(=CC=C1)Cl)[NH]2" | 21 | "E07D3189366F383E" |
"322846F426F12B85_CFDF20C0C2375844_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(CCC)[N](N=N1)CC" | 21 | "E07D3189366F383E" |
"43D2F98EE68D415B_3D7F9FB567450B0E_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=CS1)CC(OC)=O" | 21 | "E07D3189366F383E" |
"E2A0369CF5BA8A6A_546BFB49581DBAA2_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=C[N]1CC(F)(F)F" | 21 | "E07D3189366F383E" |
"2A1D667B8F348293_015F32AADADB5C27_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)CC1=CC=NC=C1" | 21 | "E07D3189366F383E" |
"B2665639570BC239_2DACF5EDB5E011AC_6031_UN" | "COC(=O)NCCC(=O)OCC1ON=C(C(OCC)=O)C1" | 21 | "E07D3189366F383E" |
"FB619A82E1D7415A_2224C90E8490F387_6031_UN" | "COC(=O)NCCC(=O)OC[C@@]1(CCC[C@@H](N(C)C)C1)N" | 21 | "E07D3189366F383E" |
"A8CB370FC6E64977_C1876A57ECD906C8_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC=C(C=C1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"27FFD47236D03D9D_EB1B115BC4408FD5_6031_UN" | "COC(=O)NCCC(=O)OCCC2=C[N]1CCCCC1=N2" | 21 | "E07D3189366F383E" |
"2B7AB34B55F0A027_D5604CBDCC343425_6031_UN" | "COC(=O)NCCC(=O)OCC(CC1=CC=CC(=C1)C)N" | 21 | "E07D3189366F383E" |
"756B4275BF40D9EA_6E00941EE1F58BD1_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC(=C1)C(C)(C)C" | 21 | "E07D3189366F383E" |
"ABCD00E713ECFFE7_08636AFCA71E9F53_6031_UN" | "COC(=O)NCCC(=O)OCC1(CC1)C2=C(C=CC=C2)Br" | 21 | "E07D3189366F383E" |
"F859E4E565976539_D80BE1840A776177_6031_UN" | "COC(=O)NCCC(=O)OCCC1=C[NH]C2=C1C=CC=N2" | 21 | "E07D3189366F383E" |
"D8B887103DBC2A62_6FBD9D7E1CDA3CB0_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=C(C=C1)[N](=O)=O)F" | 21 | "E07D3189366F383E" |
"D852F1347A9541B7_6F080FD789AFC4E8_6031_UN" | "COC(=O)NCCC(=O)OCCC(F)(F)C(F)(F)C(F)F" | 21 | "E07D3189366F383E" |
"0821CC3A40D82B9C_826AD956BD8FDA4E_6031_UN" | "COC(=O)NCCC(=O)OCC1(CC=CCO1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"B148F85F57D1D52A_EAE52A905383A3C5_6031_UN" | "COC(=O)NCCC(=O)OCC1=N[NH]C2=C1C=C(C=C2)Cl" | 21 | "E07D3189366F383E" |
"1735DB0F0CA69196_70108314B7AA92AE_6031_UN" | "COC(=O)NCCC(=O)OC[C@]1(C)COC[C@@H]2CCCN12" | 21 | "E07D3189366F383E" |
"A3F719BEFB8CD6A0_A975E9232517B8C7_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)(F)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"D9897A959778F365_4A81462D49D2162E_6031_UN" | "COC(=O)NCCC(=O)OCC2=C[N]1C(=CC=CC1=N2)Cl" | 21 | "E07D3189366F383E" |
"7898F511E682E0C3_90BCC5220726F61C_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(OCC)C=C(C=C1)Cl" | 21 | "E07D3189366F383E" |
"A57A26E4ABCE054E_97144DCE6120CE42_6031_UN" | "COC(=O)NCCC(=O)OCCC(C1=C(C)C=CC=C1)N" | 21 | "E07D3189366F383E" |
"852E2136E1B75C96_B3BA182038743336_6031_UN" | "COC(=O)NCCC(=O)OCCC1=CSC2=C1C=CC=C2" | 21 | "E07D3189366F383E" |
"32F20255BE60F261_E4417140E742D234_6031_UN" | "COC(=O)NCCC(=O)OCCC(N)C1=C(C=CC=C1)Cl" | 21 | "E07D3189366F383E" |
"0315D72AAB85BFF8_FFD2078F45F09FBA_6031_UN" | "COC(=O)NCCC(=O)OCCC(N)C1=CC(=CC=C1)F" | 21 | "E07D3189366F383E" |
"537639CE62937B99_2D1C99CC84D82292_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)C1=CC=C(C=C1)Br" | 21 | "E07D3189366F383E" |
"A9D3EB03A5CADA46_A98E010A2665FFB9_6031_UN" | "COC(=O)NCCC(=O)OCC1CCC(CC1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"4F60ED4785EF078C_23084875EAB2E23A_6031_UN" | "COC(=O)NCCC(=O)OCC1COCCC1(OC)OC" | 21 | "E07D3189366F383E" |
"9DEEB4C68923D209_12689D642222F5C2_6031_UN" | "COC(=O)NCCC(=O)OCC1=NOC2=C1CCCCC2" | 21 | "E07D3189366F383E" |
"14266568FBDB0A91_7708F6B126524296_6031_UN" | "COC(=O)NCCC(=O)OCC1(C2(C1)CCNCC2)C#N" | 21 | "E07D3189366F383E" |
"BF0B28879B2A3A76_E9F6FFD1F44F9EA0_6031_UN" | "COC(=O)NCCC(=O)OCC1C2(CNC1)CCOCC2" | 21 | "E07D3189366F383E" |
"DEB131A9AC541AF5_2AF3B58F0EED0DF8_6031_DP" | "COC(=O)NCCC(=O)OCC1=CC=CC2=C1CCNC2" | 21 | "E07D3189366F383E" |
"3528E6DA76838BB3_278B17D39CD294DB_6031_UN" | "COC(=O)NCCC(=O)OCC2=N[N]1CCCNCC1=C2" | 21 | "E07D3189366F383E" |
"14266568FBDB0A91_91ACE8F52101F995_6031_DP" | "COC(=O)NCCC(=O)OCC1(CC12CCNCC2)C#N" | 21 | "E07D3189366F383E" |
"2C29C7B5E51D93F9_AC69FD76A35B4E9A_6031_UN" | "COC(=O)NCCC(=O)OCC2=CC1=C(N=C(N)O1)C=C2" | 21 | "E07D3189366F383E" |
"C4FF1F3950672F7F_AB52619959967E67_6031_UN" | "COC(=O)NCCC(=O)OCCOCCN1CCNCC1" | 21 | "E07D3189366F383E" |
"6E049F12E3416A25_F21DB19DAD9F44BD_6031_UN" | "COC(=O)NCCC(=O)OCCCN(CC(N(C)C)=O)C" | 21 | "E07D3189366F383E" |
"895A164B2666BC18_4FDD273583E12229_6031_UN" | "COC(=O)NCCC(=O)OCCN(CCCC)CCCC" | 21 | "E07D3189366F383E" |
"C89C2583151CAF8B_FFE4E0887AA7CBB1_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)C1=CC(=CC=C1)Br" | 21 | "E07D3189366F383E" |
"2F20CFDD6D7F211F_5B39165D5F3EE9B5_6031_UN" | "COC(=O)NCCC(=O)OCCC1=NN=C2[N]1CCNC2" | 21 | "E07D3189366F383E" |
"3190BF18C2F8DCAB_DFFC20873B26D028_6031_UN" | "COC(=O)NCCC(=O)OCCC1(COC(C)(C)OC1)C" | 21 | "E07D3189366F383E" |
"29E7BFFFE455AFC2_1581AB0E4638471A_6031_UN" | "COC(=O)NCCC(=O)OCC1CC2(CN1)CCCCC2" | 21 | "E07D3189366F383E" |
"583DDEED8EA970B8_D71348E65A2D66FA_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC2=C(C=C1)CCOC2" | 21 | "E07D3189366F383E" |
"A944A67EBA20D457_04B094E0AB7B7FFE_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=N[N]1CC(F)(F)F" | 21 | "E07D3189366F383E" |
"E49D3DB58C70E8B6_01CB9A21E074D5E5_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=CC=C1)C2CCC2" | 21 | "E07D3189366F383E" |
"01EB6C9D5D658459_811D4387DFE05B80_6031_UN" | "COC(=O)NCCC(=O)OC[C@]12CNC[C@H]1CN(C)CC2" | 21 | "E07D3189366F383E" |
"B160226EC5C5A761_59E679EB5F8F4D7A_6031_UN" | "COC(=O)NCCC(=O)OC1=C(N(CCC)C=CC1=O)C" | 21 | "E07D3189366F383E" |
"04315543F4A3645C_0EECA1D0752E3CFA_6031_UN" | "COC(=O)NCCC(=O)OCC(C)(C(F)(F)F)C(F)(F)F" | 21 | "E07D3189366F383E" |
"9C92442FE6DC4448_1D0DF9ACCD82CCFF_6031_UN" | "COC(=O)NCCC(=O)OCC1(CC(C)C)CCCCC1" | 21 | "E07D3189366F383E" |
"4675DE99A9A666EC_AB6691447F445310_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC2=C1OC(=N2)C" | 21 | "E07D3189366F383E" |
"7326E6E0C071D326_09BB6CE92866C57F_6031_UN" | "COC(=O)NCCC(=O)OCC1(CN(C)C)CCCCC1" | 21 | "E07D3189366F383E" |
"ED720A1F726DE419_C993A6F54BDF08F4_6031_UN" | "COC(=O)NCCC(=O)OCC(N(CCC)CCC)(C)C" | 21 | "E07D3189366F383E" |
"D775BD0DD2CA9476_7F60601DC02C68F8_6031_UN" | "COC(=O)NCCC(=O)OC[C@@H]1C[C@H](C(C)(C)C)CNC1" | 21 | "E07D3189366F383E" |
"7A125C21D881A907_0A89BE7842AD5450_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC=C(C=C1)OCCF" | 21 | "E07D3189366F383E" |
"3A69D99DEFC19D1D_399DEB5D7CCA08F6_6031_UN" | "COC(=O)NCCC(=O)OCC1(CCCCC1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"3FA2A6618E9B82B9_5C3F6BF18ECAD62C_6031_UN" | "COC(=O)NCCC(=O)OCC1CCN(CC1)C(=O)C=C" | 21 | "E07D3189366F383E" |
"2F83FC3384875282_869E2B27050DFB76_6031_UN" | "COC(=O)NCCC(=O)OCC(CN(CC(C)C)C)(C)C" | 21 | "E07D3189366F383E" |
"9D0EEF98097B4181_A677A8859487F76A_6031_UN" | "COC(=O)NCCC(=O)OCC23CC1CC(CC(C1)O2)C3" | 21 | "E07D3189366F383E" |
"78C638BB17900ADB_F88E89A2FB997ED3_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=NO1)C(N(C)C)=O" | 21 | "E07D3189366F383E" |
"D35CFEF4AEC371DD_134DB411D1CC3420_6031_DP" | "COC(=O)NCCC(=O)OC[C@@]12CCN(C)C[C@H]1CNC2" | 21 | "E07D3189366F383E" |
"7EE3D207872CB0F2_19AF3DA0B178DCF8_6031_UN" | "COC(=O)NCCC(=O)OCC1(CCCC1)C2=N[NH]C=C2" | 21 | "E07D3189366F383E" |
"D261F184E4DB6B96_F03BE56B4232DCCD_6031_UN" | "COC(=O)NCCC(=O)OC[C@H]2CC1=C(C=CC=C1)CN2" | 21 | "E07D3189366F383E" |
"B8E94892543A5231_1F0B588B941DD768_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(CC(C)C)C=C1" | 21 | "E07D3189366F383E" |
"1117F5EEBE4E8E54_84B499711E1350EF_6031_UN" | "COC(=O)NCCC(=O)OCC12CC(CN)(OC1)CCC2" | 21 | "E07D3189366F383E" |
"1764C596CDA17B45_85AC3387C358EF54_6031_UN" | "COC(=O)NCCC(=O)OC[C@@H]1CC=CC[C@H]1C(F)(F)F" | 21 | "E07D3189366F383E" |
"8F2AF9D7C2FC45C6_448A9F0A91CF09EB_6031_UN" | "COC(=O)NCCC(=O)OCC1CCCCC1C(F)(F)F" | 21 | "E07D3189366F383E" |
"AE0002141DA4F1E4_358A023B9648BA1F_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC(=C1)SCCC" | 21 | "E07D3189366F383E" |
"B1B69454751A6EF9_7B64D42788EC2D75_6031_UN" | "COC(=O)NCCC(=O)OCC2(CCOC)CC1OC1C2" | 21 | "E07D3189366F383E" |
"FA6B58390D11B961_04AB4052D1D34B4C_6031_DP" | "COC(=O)NCCC(=O)OCC23OC1(CNC1)C(C2)(N)C3" | 21 | "E07D3189366F383E" |
"6FD2F5625E234AA9_A84DDC03174B7553_6031_UN" | "COC(=O)NCCC(=O)OC[CH]2CC[C]1(C[CH](N)C1)CC2" | 21 | "E07D3189366F383E" |
"5EFA4BF68E2787F4_C2A7610686654C63_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C(CN)N)C=C1" | 21 | "E07D3189366F383E" |
"E6F2D2113D3EDD27_C094660D9998A096_6031_UN" | "COC(=O)NCCC(=O)OCCC(C1=CN=C[N]1C)CN" | 21 | "E07D3189366F383E" |
"B65EBF4F0F0698BB_CAA6ACA725D9B7E3_6031_DP" | "COC(=O)NCCC(=O)OC[C@@]12CCCN[C@H]1CCCC2" | 21 | "E07D3189366F383E" |
"CD701676310CFB97_A3FE9FC235342A27_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC2=C1N=N[N]2C" | 21 | "E07D3189366F383E" |
"1112310732E3DCCE_51BB9D3A7144F299_6031_UN" | "COC(=O)NCCC(=O)OCC1=N[N](C)C2=C1CCNC2" | 21 | "E07D3189366F383E" |
"DFCC846733B59826_E3E5ED844E5023EF_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC(=N1)C(C)(F)F" | 21 | "E07D3189366F383E" |
"BCF4F83807892D46_04AFA36104C53243_6031_UN" | "COC(=O)NCCC(=O)OCC1CCC(C(C)(C)C)CN1" | 21 | "E07D3189366F383E" |
"E38F65602D9114E0_9E5001FCEEAE2453_6031_DP" | "COC(=O)NCCC(=O)OCCC1(N)CCC(F)(F)CC1" | 21 | "E07D3189366F383E" |
"4A8F48D7A2467F7E_90EE026BBABAE759_6031_UN" | "COC(=O)NCCC(=O)OCC12CCC(CN)(CC1)CO2" | 21 | "E07D3189366F383E" |
"E1A828C3B965CD4E_4229F61F4C4A8825_6031_UN" | "COC(=O)NCCC(=O)OCC1=N[N](C)C2=C1CNCC2" | 21 | "E07D3189366F383E" |
"7D3E7C6FBFC1F5FB_492B814F5EE3D208_6031_UN" | "COC(=O)NCCC(=O)OCC12CC(N)(C1)C3(O2)CCC3" | 21 | "E07D3189366F383E" |
"B2E0160A90C54139_F2EDA8D4D135FEC8_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC2=C(C=C1)OC(=N2)S" | 21 | "E07D3189366F383E" |
"E59B40EF88AB5002_1E6A8EB387D372D8_6031_UN" | "COC(=O)NCCC(=O)OCC2C[N]1N=CC=C1CNC2" | 21 | "E07D3189366F383E" |
"35F2DCF0B6970A00_415D1B9212938A93_6031_UN" | "COC(=O)NCCC(=O)OCC12CC(N)(C1)C3(O2)COC3" | 21 | "E07D3189366F383E" |
"B4DFFC6D06FFA3D7_B3FCEAB1C900306C_6031_UN" | "COC(=O)NCCC(=O)OCC1=NN=C(OC(C)C)C=C1" | 21 | "E07D3189366F383E" |
"9A2773BBBF45D718_1EA254CAAB1D9345_6031_UN" | "COC(=O)NCCC(=O)OCC1CNCC(O1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"13FA6EDB62AA6EE7_8C10A30DEFFCA2A9_6031_UN" | "COC(=O)NCCC(=O)OCC1=C2C(=CC=C1)NCCO2" | 21 | "E07D3189366F383E" |
"1E0BC22105C217D9_2613C8841778D4F1_6031_UN" | "COC(=O)NCCC(=O)OCCN1C(N=C(C)C=C1C)=O" | 21 | "E07D3189366F383E" |
"8BE3535A0C868A09_CFC99B96243CC991_6031_UN" | "COC(=O)NCCC(=O)OCC1(CCCCO1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"30D25D148AE28961_A321CCF452F9DAEA_6031_DP" | "COC(=O)NCCC(=O)OCC1(CC12CCNCC2)CN" | 21 | "E07D3189366F383E" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.