product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"B71B8E2225FE1889_AD2DD17F35B30CC3_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C[N](N=C1)CC(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"88FC16C51B1D970D_93BFEE214153BF69_6031_UN" | "CCSC(C(C)C)C(=O)OCC1(NC(C)C)CCNCC1" | 21 | "3AB2C7FECB759A98" |
"92D3454E4793E35F_1C38BB80B7D196AB_6031_UN" | "CCSC(C(C)C)C(=O)OCC(NC)C1=CC=C(C=C1)Cl" | 21 | "3AB2C7FECB759A98" |
"A4AB150B2F8D60C3_261A0B3F4620BA54_6031_UN" | "CCSC(C(C)C)C(=O)OCCOC1=C(C=C(C=C1)Cl)Br" | 21 | "3AB2C7FECB759A98" |
"2BCE1B2978B3214B_8F14D97B65AAC5DD_6031_UN" | "CCSC(C(C)C)C(=O)OCCCN(C)C1CCNCC1" | 21 | "3AB2C7FECB759A98" |
"A7FDD9B7D65DF430_243E0D520310AB49_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(N(C)C)N=CN=C1Cl" | 21 | "3AB2C7FECB759A98" |
"5E3E9D063356641E_63DC80E9F0BFDA6C_6031_UN" | "CCSC(C(C)C)C(=O)OCC2=C1C=CC=CC1=CN=C2" | 21 | "3AB2C7FECB759A98" |
"C8CC017EFFEE0A1E_4E7BE0CEFD219E63_6031_UN" | "CCSC(C(C)C)C(=O)OCCCC(N)C1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"A9748A6342A8695C_184F8A8F357F5E5A_6031_UN" | "CCSC(C(C)C)C(=O)OCC(F)COC1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"5E6CDBB27AC64555_496CED0EE0A15E33_6031_UN" | "CCSC(C(C)C)C(=O)OCCC(C(OC(C)C)=O)(C)C" | 21 | "3AB2C7FECB759A98" |
"B678CBA417A3432A_F1659A639A9EECEA_6031_UN" | "CCSC(C(C)C)C(=O)OCCCCC1=CC=C(N)C=C1" | 21 | "3AB2C7FECB759A98" |
"CCAA1FAAB3BA5D9B_240CEDC949C1E8CE_6031_DP" | "CCSC(C(C)C)C(=O)OCCC1=C[N](CC(O)=O)N=N1" | 21 | "3AB2C7FECB759A98" |
"2DBF696BEA9D7715_AFCF0E29E5BBB585_6031_UN" | "CCSC(C(C)C)C(=O)OCC2=CC1=C(C=CC(=C1)N)O2" | 21 | "3AB2C7FECB759A98" |
"AC6B75C2B2320792_21B0DEE9A18D503E_6031_UN" | "CCSC(C(C)C)C(=O)OCCNC1CC(OC(C)C1)C" | 21 | "3AB2C7FECB759A98" |
"8CE1C290369F303D_91373965E3271C30_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=NC(=C(C(OC)=O)S1)C" | 21 | "3AB2C7FECB759A98" |
"882F2CFE632500FE_AFBB1A683D6FEC4B_6031_UN" | "CCSC(C(C)C)C(=O)OCCNC1=C(OC)C=CC=C1" | 21 | "3AB2C7FECB759A98" |
"FAB27A617C9D6A8B_7411BAF7151269CD_6031_UN" | "CCSC(C(C)C)C(=O)OCCN1CCC2=C1C=CC=C2" | 21 | "3AB2C7FECB759A98" |
"1BAA86C1A00FB703_9353DFE981563F2A_6031_UN" | "CCSC(C(C)C)C(=O)OCC2=NC=C1OCCCC1=C2" | 21 | "3AB2C7FECB759A98" |
"1280B09879B0B11B_FA42E45F1150654D_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC=C(C=C1)SCC#C" | 21 | "3AB2C7FECB759A98" |
"5AADF20E062003AE_A9293B34DD3ED553_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C([N](N=C1C)C(F)F)C" | 21 | "3AB2C7FECB759A98" |
"AA038BA9F94E5502_53AD1D571B75BD30_6031_UN" | "CCSC(C(C)C)C(=O)OCCCN(CC)CC(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"E8E5799049CE2974_C8BE7AA7F484B29B_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC=C(C=C1)OCC#C" | 21 | "3AB2C7FECB759A98" |
"3F6B43589E6AB077_91D19BF251528B88_6031_UN" | "CCSC(C(C)C)C(=O)OCC(C)NCC1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"0CE3FA0A40154424_5C5AEE7EA81E2216_6031_UN" | "CCSC(C(C)C)C(=O)OCC(C)C1=CC(=C(C=C1)Cl)Cl" | 21 | "3AB2C7FECB759A98" |
"8A37BEB760E90EC1_93FB50C1B7B3147E_6031_UN" | "CCSC(C(C)C)C(=O)OCCCCN1C(=O)CSC1=O" | 21 | "3AB2C7FECB759A98" |
"EB82275482CEB77D_9FBCB15F984496EE_6031_UN" | "CCSC(C(C)C)C(=O)OCC2CC1=C(C=CC(=C1)F)O2" | 21 | "3AB2C7FECB759A98" |
"6845EA87EC21C0B0_261F2B31440DB278_6031_UN" | "CCSC(C(C)C)C(=O)OCC(NC)CC1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"E41D6897EE047E34_6B3EA8ADE8F4C06D_6031_UN" | "CCSC(C(C)C)C(=O)OCCC(CN)C1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"8332719055575735_4D0D7F27BBD52356_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=NN=C2C=CC(=N[N]12)Cl" | 21 | "3AB2C7FECB759A98" |
"93C452EFD21FCC13_6F23A19242961A69_6031_UN" | "CCSC(C(C)C)C(=O)OCCN[C@@H](C)C1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"F6B43C4BB7D45AFE_75C22FC42DDD5027_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=CC=C1)OCC#C" | 21 | "3AB2C7FECB759A98" |
"28F2D307EEE01C3A_E16DFD02173D7A7E_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=C(C=CC=C1)[N](=O)=O" | 21 | "3AB2C7FECB759A98" |
"1723C69A07E67032_F3B8A53507FCC197_6031_UN" | "CCSC(C(C)C)C(=O)OCCCC1=C(C=CC=C1F)Cl" | 21 | "3AB2C7FECB759A98" |
"926D3940F596B4F6_493C4AA674FA9BCF_6031_UN" | "CCSC(C(C)C)C(=O)OCCCNC1=C(N)C=CC=C1" | 21 | "3AB2C7FECB759A98" |
"0D0F5084E22A75CD_5D15FDAE0995DA23_6031_UN" | "CCSC(C(C)C)C(=O)OCCNCCN1CCOCC1" | 21 | "3AB2C7FECB759A98" |
"DA1007FD673B7715_6D177424A168C17E_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(OCC)C=CC(=C1)N" | 21 | "3AB2C7FECB759A98" |
"6B58C18EDAD1BDB9_ED5AD78BFCA3D347_6031_UN" | "CCSC(C(C)C)C(=O)OCC(OC)CC1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"1AA950FFF927BB95_A455A75E32796B6D_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=C[NH]N=C1C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"7B64F87E86449B1A_BD4C0669F09912FF_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=N[N](C=C1)C2CCCC2" | 21 | "3AB2C7FECB759A98" |
"046A0D316A8E89BF_12486E148D79A2E1_6031_UN" | "CCSC(C(C)C)C(=O)OCCCCCC1(C)OCCO1" | 21 | "3AB2C7FECB759A98" |
"A9F2C5C45A6DB4CD_63E3E38155EAA8D8_6031_UN" | "CCSC(C(C)C)C(=O)OCCCNC1=CC=C(C=C1)Cl" | 21 | "3AB2C7FECB759A98" |
"0849CC8E1B7CEA59_D2B08B3A2A3F5513_6031_DP" | "CCSC(C(C)C)C(=O)OCC(CN)C1=CC=C(C=C1)F" | 21 | "3AB2C7FECB759A98" |
"FB379F57DC4F6102_79969C46A8A7E083_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC=CC(=C1)[S](C)(=O)=O" | 21 | "3AB2C7FECB759A98" |
"94522A059A1B1760_D10FB00504B56634_6031_UN" | "CCSC(C(C)C)C(=O)OCC1(C(C(C)C)N)CCCC1" | 21 | "3AB2C7FECB759A98" |
"0849CC8E1B7CEA59_719C61475417FE13_6031_UN" | "CCSC(C(C)C)C(=O)OCC(CN)C1=CC=C(C=C1)F" | 21 | "3AB2C7FECB759A98" |
"D328734BF6C0A383_63D27AC409D06F9E_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=CC=C1)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"38564096FE046E86_8389F47123317467_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=NC2=C(N=C1)C=CC=C2" | 21 | "3AB2C7FECB759A98" |
"B2CDC1C2DDF64205_6AAD3158EDA217AA_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=C(C(OC)=O)O1)C" | 21 | "3AB2C7FECB759A98" |
"22C4EA538942BDC1_82AA6CB3D6B44D2E_6031_UN" | "CCSC(C(C)C)C(=O)OCC1(CNC1)C2=CC=CC=C2" | 21 | "3AB2C7FECB759A98" |
"FAED582249E40D9E_A7CB77DEC4AF2C99_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=C(C(=C1F)F)F)Br" | 21 | "3AB2C7FECB759A98" |
"9A7077A180E96B0C_4F3A2FACE92D88C8_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC=C(C(C)(C)C)C=C1" | 21 | "3AB2C7FECB759A98" |
"E598E8737DFDE828_060F2C76CAB116DC_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=C(C=C1)N=[N]#N)F" | 21 | "3AB2C7FECB759A98" |
"4F8B1278B7632C83_5D635303BD78FDC8_6031_UN" | "CCSC(C(C)C)C(=O)OCC1(C(C(C)C)N)CC=CC1" | 21 | "3AB2C7FECB759A98" |
"F529A442AC97F4A0_E5665F0183C2BDCB_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(N=C(SC)N=C1Cl)Cl" | 21 | "3AB2C7FECB759A98" |
"0D1F5F36483A1569_468C2C1E6B5F2234_6031_UN" | "CCSC(C(C)C)C(=O)OCCOCC1=CC=C(N)C=C1" | 21 | "3AB2C7FECB759A98" |
"30236E2065DBBE6F_F98951456069D454_6031_UN" | "CCSC(C(C)C)C(=O)OCC2=CC1=C(C=CC(=C1)F)[NH]2" | 21 | "3AB2C7FECB759A98" |
"9A62EB570E00AD2F_55983C683219A4E7_6031_UN" | "CCSC(C(C)C)C(=O)OCCNC1=CC(=C(C=C1)F)F" | 21 | "3AB2C7FECB759A98" |
"BB4E245E5EAA1AF8_D61F8486583270DF_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@]1(C)C[C@H]1C2=CC=CC=C2" | 21 | "3AB2C7FECB759A98" |
"A4AA269FBA6D96C2_5E60D541B7E7DA72_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=NOC2=C1C=CC=C2" | 21 | "3AB2C7FECB759A98" |
"8927BBBD7CA0F342_04205CEBB24B71B5_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=C(OCC)C=C1)C" | 21 | "3AB2C7FECB759A98" |
"75736614ECF5BE30_6591C3CF682EE2DE_6031_DP" | "CCSC(C(C)C)C(=O)OCC1=CC=CC2=C1CNCC2" | 21 | "3AB2C7FECB759A98" |
"C8829ED5FA98C811_892DA42A32D2E37A_6031_UN" | "CCSC(C(C)C)C(=O)OCC(=CC1CCC(C)CC1)C" | 21 | "3AB2C7FECB759A98" |
"66901DAB7972C3AA_574443C1243EF525_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(OCC)C=CC(=N1)C" | 21 | "3AB2C7FECB759A98" |
"CC05CAF2050FC0E7_1F29759E10255DA0_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@@H]1CCCN[C@@H]1C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"06901827B358FF2F_250667C2B2B7D6FD_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C)C(=N[NH]1)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"8FFDF77E6AEEB153_8DE2C55984297C71_6031_UN" | "CCSC(C(C)C)C(=O)OCCC(N)C1=C(C=CC=C1)F" | 21 | "3AB2C7FECB759A98" |
"D238F4AD0D7CAF38_A2B5CB3EC40AAC74_6031_UN" | "CCSC(C(C)C)C(=O)OCCOCC1=CC(=CC=C1)F" | 21 | "3AB2C7FECB759A98" |
"935C9F5B14D00F0C_6B4BCAEEE7EC5E0D_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=NSC2=C1C=CC=C2" | 21 | "3AB2C7FECB759A98" |
"43ADB8D1E67C36B0_2949AB9B07CE1D11_6031_UN" | "CCSC(C(C)C)C(=O)OCCCC1=C(C=CC=C1F)F" | 21 | "3AB2C7FECB759A98" |
"A315F6A1940EF73E_E39673BADB626EB3_6031_UN" | "CCSC(C(C)C)C(=O)OCC1CN(C(C)(C)C)C(C1)=O" | 21 | "3AB2C7FECB759A98" |
"CB0F88416C25B9AB_9CC8E82478C0BB78_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C2=C(O1)C=CC=C2)Br" | 21 | "3AB2C7FECB759A98" |
"80833653ACF24134_15221C06C96AC4BA_6031_UN" | "CCSC(C(C)C)C(=O)OCC(C1CC(OC)CCC1)N" | 21 | "3AB2C7FECB759A98" |
"D5E547C5B5C0A188_A759864AE7E679BD_6031_UN" | "CCSC(C(C)C)C(=O)OCC(F)(F)CN1CCNCC1" | 21 | "3AB2C7FECB759A98" |
"5A3A21AEB0F1E56B_AAB2CB6D5B9D81E5_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=CC=C1)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"1BD8F6DD162D9A8C_38777782CC55C297_6031_UN" | "CCSC(C(C)C)C(=O)OCC(C1=CSC(=N1)C(C)C)N" | 21 | "3AB2C7FECB759A98" |
"6A8F0EB795BDF704_354F6A9A59B638BE_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C)OC(=C1)C(OC)=O" | 21 | "3AB2C7FECB759A98" |
"DD872893DDBFFF1D_C1A9B44F7B9595D9_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CN=C(N=C1)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"CF61B753A54C14E4_A4CB3F44E1221918_6031_UN" | "CCSC(C(C)C)C(=O)OCCCC1(C)C(=NNC1=O)N" | 21 | "3AB2C7FECB759A98" |
"041E484512981F92_5B724C7FACFFF7AE_6031_UN" | "CCSC(C(C)C)C(=O)OCC2CCC1(CCCC1)CN2" | 21 | "3AB2C7FECB759A98" |
"8E45BE078DF6154F_2BF2ADAC1B4602F6_6031_UN" | "CCSC(C(C)C)C(=O)OCC(C1=CC=CC(=C1)OC)N" | 21 | "3AB2C7FECB759A98" |
"739F19C1E35D1D30_D8F4DAEB7F945598_6031_UN" | "CCSC(C(C)C)C(=O)OCC1CCCC(C1)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"5EFEE43D3E403EC2_2CA53542E4FD7AB9_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=N[N](C(C)(C)C)N=N1" | 21 | "3AB2C7FECB759A98" |
"9AF2AD5C22C65229_5C01198DE92720BB_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@@H](C1=CC=CC(=C1)OC)N" | 21 | "3AB2C7FECB759A98" |
"1A2460B1B4382995_927AC5613BC790F9_6031_UN" | "CCSC(C(C)C)C(=O)OCC2CCC1=NN=N[N]1CC2" | 21 | "3AB2C7FECB759A98" |
"1DC4F5B9EED96405_0D2DD3F5C452CA59_6031_UN" | "CCSC(C(C)C)C(=O)OCC(C[S](C)(=O)=O)(CN)CCl" | 21 | "3AB2C7FECB759A98" |
"9A22584FECE86224_C4BB4D8753BBBC28_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@@H]1C[C@H]1C2=CC=C(C=C2)F" | 21 | "3AB2C7FECB759A98" |
"C8948E2E728CE913_F68C8D6140A216C3_6031_UN" | "CCSC(C(C)C)C(=O)OCCCOCCOCCOC" | 21 | "3AB2C7FECB759A98" |
"269170D83FCC7A84_519E199E428EE236_6031_UN" | "CCSC(C(C)C)C(=O)OCC(N)C1=C(C=C(C=C1)F)F" | 21 | "3AB2C7FECB759A98" |
"C8872F5FE2035713_723BE7F950C60FBD_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1CCC2=C1C=CC=C2" | 21 | "3AB2C7FECB759A98" |
"D133397EF2740033_D1A4E89F14DEC2E6_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC2=C(C=C1)OC(C)C2" | 21 | "3AB2C7FECB759A98" |
"5EDA020735A94FBA_41A5EBD8E2E96F15_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CN=C(C(C)(C)C)N=C1" | 21 | "3AB2C7FECB759A98" |
"6EC64E6C035E091A_39BDDE462175C9C3_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CN=C(C(OC)=O)C=N1" | 21 | "3AB2C7FECB759A98" |
"79FD29C8EBC5DD4D_09072F456DC29AFD_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=CC2=C(C=C1)OCC2" | 21 | "3AB2C7FECB759A98" |
"070FF90C0AE0E560_3EF08241E7653A7D_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=NN=C2CCOCC[N]12" | 21 | "3AB2C7FECB759A98" |
"AF5539CBA4835754_36EB3B1676407345_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=C(SCC)C=C1)Br" | 21 | "3AB2C7FECB759A98" |
"4997195A29DCEA19_9BCA7BDBEA73CA83_6031_UN" | "CCSC(C(C)C)C(=O)OCC#CC1=C(C(=CC=C1)F)F" | 21 | "3AB2C7FECB759A98" |
"F953CCF00CBFA077_E60C9EE5D579F04F_6031_UN" | "CCSC(C(C)C)C(=O)OCCCCC1=CC(=CC=C1)Cl" | 21 | "3AB2C7FECB759A98" |
"B5B0F9F50C7BC4A9_886306F0F7C0987C_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@@H]2CC1=C(C=CC=C1)CO2" | 21 | "3AB2C7FECB759A98" |
"AF7922B9461444F6_0012217082B4EED8_6031_UN" | "CCSC(C(C)C)C(=O)OCC2CCC1(CCOCC1)O2" | 21 | "3AB2C7FECB759A98" |
"4DCDA7B728C47B0F_FD393BA4DDBAC9CF_6031_UN" | "CCSC(C(C)C)C(=O)OCC(OC)C1=CC=C(C=C1)F" | 21 | "3AB2C7FECB759A98" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.