product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"81814C226F61E8E7_3E788CC929589442_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(N)C2CCCC2" | 21 | "79446391EAEAB890" |
"271B9D91AEC69FB9_1BDAE8409D69F83B_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](C)N=C2Cl" | 21 | "79446391EAEAB890" |
"DC1ABB5E7A851698_4302AFB2122B3733_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC(N)C(F)(F)F" | 21 | "79446391EAEAB890" |
"E0175E3654A16984_335BAD2C356F8F42_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(OC)(C)C2CC2" | 21 | "79446391EAEAB890" |
"1350E332446C9D5D_BC0942B8AC73CDEA_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=C(N=C2)Br" | 21 | "79446391EAEAB890" |
"A72C590F01066D4E_5F831AA0287B7AB4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C(N=C2)Br" | 21 | "79446391EAEAB890" |
"9434DAFB6945403F_02CBA72074ECDC6A_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)Br" | 21 | "79446391EAEAB890" |
"E876617F8C01C81F_3A27F746277CAED1_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC#C[Si](C)(C)C" | 21 | "79446391EAEAB890" |
"B4D393B5F49B6ADB_3794995B42F73F50_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCOC2=O" | 21 | "79446391EAEAB890" |
"A7A751146FE2D3C4_D0F78CA5E66D79B3_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCN(C)C2CCC2" | 21 | "79446391EAEAB890" |
"C0D03499137DBF94_F91147DE0D2229E4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=CON=C2" | 21 | "79446391EAEAB890" |
"56D845E3C37C9038_E17ADED54C120908_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)N=CC=C2" | 21 | "79446391EAEAB890" |
"1DA3AD14E2558199_8C78483573626140_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C(=NS2)Cl)Cl" | 21 | "79446391EAEAB890" |
"4133B59FDD3FA9EE_8F282E6C865562D9_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCOCC2" | 21 | "79446391EAEAB890" |
"8DF4C221B57BEAE0_9CF83C556D03E430_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCNC2" | 21 | "79446391EAEAB890" |
"9AE00F4E37712A9F_DCD542EEFADEA385_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](CC)N=C2" | 21 | "79446391EAEAB890" |
"371F3918EC3848EC_C4F71F56D574C187_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=N[N]2C)Cl" | 21 | "79446391EAEAB890" |
"357339732C4B1764_78E30ADC435F02C4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=N[N]2C)Br" | 21 | "79446391EAEAB890" |
"4CC9BBE583F4F7F7_328309244D757124_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(SN=C2C)C" | 21 | "79446391EAEAB890" |
"DB29AD438A7AE767_A65825176E418566_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C)C=C2Cl" | 21 | "79446391EAEAB890" |
"E57E77502FB09AB7_00AB528CE44BFF8E_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](CC)C=C2" | 21 | "79446391EAEAB890" |
"1E79AD0EA6FFAD3D_1996F8FBE05E3DF6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC(=NO2)Br" | 21 | "79446391EAEAB890" |
"6AC4308CC4AC593E_85FC6966AB649019_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCNC2CC" | 21 | "79446391EAEAB890" |
"8F930CF4D589E925_34FA10A4C8D0DE6E_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCC2(F)F" | 21 | "79446391EAEAB890" |
"8A343DFB9DDB4A87_B263B789E92ABCFC_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[CH]3C[C]2(C[CH2]C2)C3" | 21 | "79446391EAEAB890" |
"B2BB513105FDB725_5B8BB6ED98860A7D_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCC#C" | 21 | "79446391EAEAB890" |
"ABE2CF50844AFDF1_3932CCCB0537147A_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C(CC)C)OC" | 21 | "79446391EAEAB890" |
"6CBF2FEC96705B26_C3FFD812708202D9_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCC(C)(C)CN" | 21 | "79446391EAEAB890" |
"3FAC286AD86D065B_9FD3A2879DD1D788_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CC=C2)Br" | 21 | "79446391EAEAB890" |
"CA5F9DC448204DDF_034E33D4D4ACC7FF_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCCC(F)(F)F" | 21 | "79446391EAEAB890" |
"0736A624C10535BF_01304FA4DF3B958B_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)C=CC=C2" | 21 | "79446391EAEAB890" |
"E85B6DC9FDFD794D_6D8646E1AB252C1A_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCC(F)(F)C2" | 21 | "79446391EAEAB890" |
"61ABD2E0D80AE323_4AFA1A6F97E56BD8_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(C)COCCN2" | 21 | "79446391EAEAB890" |
"AD736D70E332ADDF_4F5F5FFE4E8129B1_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2NCC(C)(C)C2" | 21 | "79446391EAEAB890" |
"DF040F5F0F1F7CAB_C1A8A70C2140D183_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCNC(C)C#N" | 21 | "79446391EAEAB890" |
"FB31946E4A4EBD88_8FD997EE9BC360E0_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CC(OCC)C2" | 21 | "79446391EAEAB890" |
"DE96280E4A8257D3_B17C4162B7A0AC76_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C[C@H]2C(F)(F)F" | 21 | "79446391EAEAB890" |
"731B04BDD0DC516E_C5DFA217DEE57915_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CN(C)C(O2)=O" | 21 | "79446391EAEAB890" |
"D4995A78F41AC12C_55FF152501019309_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](CC)N=C2" | 21 | "79446391EAEAB890" |
"3CEC0741E7DB0A64_7605F1D75830F9D3_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2NC(=O)NC2=O" | 21 | "79446391EAEAB890" |
"EE8F7BCE40286C01_D412B68EB34C9125_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CCCCC2" | 21 | "79446391EAEAB890" |
"913602FFE1B700C8_D52F69E2948F0D8F_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CC3CCC2O3" | 21 | "79446391EAEAB890" |
"06D3D90CA80C39D8_8AE43A34F777693E_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=NC=N[N]2C" | 21 | "79446391EAEAB890" |
"657D891931528EB4_7538F3C7D038A24D_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CC3CC2C=C3" | 21 | "79446391EAEAB890" |
"B771B344228AA149_1630E327F684BACF_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)C(=O)OC" | 21 | "79446391EAEAB890" |
"7744937E612F98BB_978A0924C205D1E5_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C[C@H](OC)CN2" | 21 | "79446391EAEAB890" |
"1E66EA69FF0798E8_F95F5C61C7D97CED_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(COC)CCC2" | 21 | "79446391EAEAB890" |
"4563A7E2F9EB832D_AB89097F31136426_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCOCCCOC" | 21 | "79446391EAEAB890" |
"1C6D5091E92C8B2B_39ED563B0DF52CBF_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CCCN2" | 21 | "79446391EAEAB890" |
"E62EA8C40241BA8E_0B6B6BDC213AD0C6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=NC(=N2)C" | 21 | "79446391EAEAB890" |
"F6D2235EF084C880_F9164C189C0F6082_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(CC)S2" | 21 | "79446391EAEAB890" |
"E1858073EA93AE1E_41495C18454C99A1_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C[N](C)N=C2" | 21 | "79446391EAEAB890" |
"1A5AB59D46BFA924_1618D6E1991A0597_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)Br" | 21 | "79446391EAEAB890" |
"198B755BC4CA8313_CC40225BEF2AF8D9_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CN=CC=C2" | 21 | "79446391EAEAB890" |
"BAEF0A1996B6F2F4_CC92F735E8EBAE49_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCNC(NCC)=O" | 21 | "79446391EAEAB890" |
"226C8D773AA4A575_8C2FCC1B78782803_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCNCC2" | 21 | "79446391EAEAB890" |
"8748E0E621DAF9D2_D0598E7D964BC4F4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CC(F)(F)C2" | 21 | "79446391EAEAB890" |
"0D34192FF555C01F_3A88C0FBF2DB6641_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(SC(=C2)Cl)Cl" | 21 | "79446391EAEAB890" |
"525CE0CC108A0083_777F838C3331C0E8_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=C[NH]N=C2" | 21 | "79446391EAEAB890" |
"283F3C2961878DEF_28CF5B5AF17CDCFB_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(S)CCCCC2" | 21 | "79446391EAEAB890" |
"2E75148A035BF5B5_011DAD82AE6144D4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=N[N]2CC" | 21 | "79446391EAEAB890" |
"6B884FCDCF7B440E_882E5D9B4AA15A20_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=N[N]2CC" | 21 | "79446391EAEAB890" |
"49855D34F869CA7C_8611C1D653299054_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C(OC)=O)(C)N" | 21 | "79446391EAEAB890" |
"5154EE03384C1452_99F24F73E726168D_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCOC(C(C)=C)=O" | 21 | "79446391EAEAB890" |
"06183859353C989F_B1976AE8B87CD803_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(NC)CCCC2" | 21 | "79446391EAEAB890" |
"FDEB075DC6CDC8FC_DB5AA0013FACF308_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2OCCN(C)C2" | 21 | "79446391EAEAB890" |
"DE9C00014FC82316_88AD00E5506162B5_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C(C)C=C2" | 21 | "79446391EAEAB890" |
"BCADAD1759663529_DA23DC9652AB2AED_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NO2)OC" | 21 | "79446391EAEAB890" |
"37DB1DAF67D24B26_4A8FC319CE9D5AD4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CCNC2" | 21 | "79446391EAEAB890" |
"338D128D3E1C68AC_3040E5C076D00CC3_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=CC(=N2)N" | 21 | "79446391EAEAB890" |
"82FFC619AE30C880_3F4E91CA0AB84F34_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=CC(=C2)C" | 21 | "79446391EAEAB890" |
"7F9290473B16FCE5_E9B651CF57A41AB5_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=NC=C2)F" | 21 | "79446391EAEAB890" |
"3602D696165314B7_D13C404615B6131C_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)SC(=C2)C" | 21 | "79446391EAEAB890" |
"AAD8B6F445F9E1C5_053AFEAF96FC648F_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCOC(N(C)C)=O" | 21 | "79446391EAEAB890" |
"8EBEB0EF99D335CB_484317C23A8B49C3_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCOCC2CCC2" | 21 | "79446391EAEAB890" |
"AD47C8F544AEA741_9C0EEB491DAAF172_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCNCC2)N" | 21 | "79446391EAEAB890" |
"05F6784E121CDC64_520D651C20162D73_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2(C)CC2(F)Cl" | 21 | "79446391EAEAB890" |
"F68206E5EEF99837_4C192C7BE472E85A_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCNC2C" | 21 | "79446391EAEAB890" |
"871D97FA2144E946_0E6498373300F701_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(OC)CC(C)C" | 21 | "79446391EAEAB890" |
"6D87EB46D6AF70B9_7B6035EAD0DD2277_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCCCC(C)C" | 21 | "79446391EAEAB890" |
"7C875A9B5DEEE0D6_6212D1C24DB6E0D6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CSC(=N2)C" | 21 | "79446391EAEAB890" |
"0560260BC114EBD8_9E859D6BC3D60860_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)OC(=N2)C" | 21 | "79446391EAEAB890" |
"FEC4ACDD58DD1F44_65FE3F2F7023C8AD_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C[N](C)N=N2" | 21 | "79446391EAEAB890" |
"D75C0D69FAF25328_229D7346F427D7B1_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CSCCN2" | 21 | "79446391EAEAB890" |
"E674973DA38F78AC_0F5104EDE4C59EB8_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC3CCC2CC2C3" | 21 | "79446391EAEAB890" |
"425B11F8E7CBDD59_C1DF2C1F97F3EE11_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(OC)CCOC2" | 21 | "79446391EAEAB890" |
"736FEBBD7A5C9231_99B2DD6858A516AF_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C)CC(F)(F)F" | 21 | "79446391EAEAB890" |
"B27823B3518A971C_60834A1B8AC63C88_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NS2)OC" | 21 | "79446391EAEAB890" |
"E79B67ED7044185A_B5DF50B2C4001DDD_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)CC(F)F" | 21 | "79446391EAEAB890" |
"2E076A9E2A0103BC_C2FFACF97DDBB9E3_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=NN=C(C)O2" | 21 | "79446391EAEAB890" |
"B74C62601F4CBC05_93E4922E833DEBB0_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC(C)(C)C2CC2" | 21 | "79446391EAEAB890" |
"33AEDAF4F7BA75FE_D0C562C2A16200CE_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCOC2)C#N" | 21 | "79446391EAEAB890" |
"CEE0B5F9E8D1CB58_DC0E287A91B4972A_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCN)CCC2" | 21 | "79446391EAEAB890" |
"1A624C62FDE22009_0B9EC7828F5B7040_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCN(C)C2" | 21 | "79446391EAEAB890" |
"0418C5816AE944D7_2E4137A7F2B63321_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(CC(CC)C)N" | 21 | "79446391EAEAB890" |
"B2E239F744A3B08E_909FD72F14A417AA_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCNC(N(C)C)=O" | 21 | "79446391EAEAB890" |
"49855D34F869CA7C_A2EAE5E87D10A6D2_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C(OC)=O)(C)N" | 21 | "79446391EAEAB890" |
"A0120098383231E9_DDEDD3BFAA8B2839_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)CC(F)F" | 21 | "79446391EAEAB890" |
"033E7483ADB303B5_7FCF71B37E240E87_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(N=[S](C)(=O)C)=O" | 21 | "79446391EAEAB890" |
"0D0DDEBD5393551A_FA25AF558F134FAF_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCOC2CC2(F)F" | 21 | "79446391EAEAB890" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.