product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"CE8BD5EBFEB61659_BDFB024B15229A7F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1C(C1)C2=C[NH]C=N2" | 21 | "B8E727524D67CD59" |
"FEEDF134151C83C4_AEB62299C9703E7D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC2=CC1=C(C=CS1)[NH]2" | 21 | "B8E727524D67CD59" |
"CA530185B46ED13B_9E8A259893A8AD01_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCC(CC1)C#C" | 21 | "B8E727524D67CD59" |
"2562CA53A051B082_C44B0328E303C112_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(OC)CCOCC1" | 21 | "B8E727524D67CD59" |
"06575B61B6077BB3_C327815B510F637B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCC)CCCN1" | 21 | "B8E727524D67CD59" |
"A0F3D978AC9318B1_B41E5E727F3AD08F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOC1CCOCC1" | 21 | "B8E727524D67CD59" |
"56A2899ED1A7631E_29CE5D6D7F371F6C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1C2(C1)CCNCC2" | 21 | "B8E727524D67CD59" |
"B8398E77B63DF611_9A1C8E7F7B51B126_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC(C)C(C)(C)C" | 21 | "B8E727524D67CD59" |
"9A73B906F90D556D_780A65A22CBCB5E1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=C(C=C1)C#N" | 21 | "B8E727524D67CD59" |
"2959013DDA034E22_489A4DE9D64A36FB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@H](C)N1CCOCC1" | 21 | "B8E727524D67CD59" |
"FF1B67500AE1CC11_17BEF3C2093F57E0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=C(C=C1)C#C" | 21 | "B8E727524D67CD59" |
"AC5F7FC96B832820_6593106171453E44_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(F)(F)C1=NC=CS1" | 21 | "B8E727524D67CD59" |
"64A958BBC7586A64_9947F164BEC46B49_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(OC)CCCCC1" | 21 | "B8E727524D67CD59" |
"9779388E88A98844_C33C35F4ED7CCBFF_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CN=C(N)C=C1" | 21 | "B8E727524D67CD59" |
"CADE1EEAEAB038D0_8FA633A394F4AAA0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCC(CC1)C#N" | 21 | "B8E727524D67CD59" |
"ADB2417B9725702F_EDF7B5C7F2F88B6F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C)C=C1)Cl" | 21 | "B8E727524D67CD59" |
"321EEB4323F3050C_EF589D6D374799C8_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC(N)CC1CCCC1" | 21 | "B8E727524D67CD59" |
"00171DAAD321D8B8_7B8775762B163BC5_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC12CCCN1CCC2" | 21 | "B8E727524D67CD59" |
"AE79FBAF3ECDDED7_BD49743CFAFD4B3C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C=C1)Cl)I" | 21 | "B8E727524D67CD59" |
"47B77CAD1375D409_AE3516D5FB3A742C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CCCCCC1" | 21 | "B8E727524D67CD59" |
"714E8FE3FB97BC1E_052B5459B3E8F32B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1CSCCC1" | 21 | "B8E727524D67CD59" |
"E90F9C028B3C95F2_5990D146A8C653CA_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=CC(=N1)C)Cl" | 21 | "B8E727524D67CD59" |
"17717F970B6AB9DF_CE254F36CCFD064B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=C(C=C1)C#C" | 21 | "B8E727524D67CD59" |
"906603FD5001BC54_311EAD8E0A9AEAA5_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N=C(C=C1)Cl)Cl" | 21 | "B8E727524D67CD59" |
"C1FCDE376928C011_1CCACA9746CF9598_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=N[N]1C(C)C" | 21 | "B8E727524D67CD59" |
"7DDEDEB58239C3F4_84057593D60EF2D8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=N[N]1CCC" | 21 | "B8E727524D67CD59" |
"2CD8F9870E31DA2E_6438BB9837383A19_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCN(CC)CCN" | 21 | "B8E727524D67CD59" |
"FD8B0A6FB1ACF02F_F3B6999EC7711227_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(CN)C1CCOC1" | 21 | "B8E727524D67CD59" |
"F9A51D52599ADDA0_65DCC26A399E2CBC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(CCC(C)(C)C)N" | 21 | "B8E727524D67CD59" |
"E0DAE77DF49E63E0_1DE33308BA1ED872_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(CN)CC1CCC1" | 21 | "B8E727524D67CD59" |
"39B0C9C994A54CCE_9A35178BA84870E8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1CCOC1C" | 21 | "B8E727524D67CD59" |
"DD18EAA2016325BC_6FCD3403E560CC9A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCCCCC1" | 21 | "B8E727524D67CD59" |
"72829EE7E2A7F51F_454811E70D3AA594_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N)C=C(C=C1)Br" | 21 | "B8E727524D67CD59" |
"D8A2A86DED968C10_4CC5937FADDE4008_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C=C1)I)Cl" | 21 | "B8E727524D67CD59" |
"507E03B7305FB9FD_25237DAD2E880DF3_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=CC(=C1)SC" | 21 | "B8E727524D67CD59" |
"30989560DB36C813_2D3B21F1E8874FC9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOCCNC(C)C" | 21 | "B8E727524D67CD59" |
"433BF6B710683003_DE626EF558B813E1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCCC1=NC=CS1" | 21 | "B8E727524D67CD59" |
"321EEB4323F3050C_8EADF7466EC5B840_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)CC1CCCC1" | 21 | "B8E727524D67CD59" |
"A88B27F02BFDA599_699B09BD8A0A7D12_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C(OCC)=O)(F)F" | 21 | "B8E727524D67CD59" |
"5465665731ECDAF1_C80277C712541E93_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=CC(=C1)C)Cl" | 21 | "B8E727524D67CD59" |
"CED7266DA024D70F_CC1EDA029F9C3C2F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1([S](C)(=O)=O)CCC1" | 21 | "B8E727524D67CD59" |
"7D638306536CE290_41A2E3074D900AC4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCC(F)(F)C1" | 21 | "B8E727524D67CD59" |
"FA8C797410C2E208_7A376EBE210263A8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCCCC(OC)=O" | 21 | "B8E727524D67CD59" |
"A0DF0C7EE0CA7BE4_C042543E97230F06_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@@H](N)C1=CC=CC=C1" | 21 | "B8E727524D67CD59" |
"327FD906B3AAD44E_2E609C1EC3255E6D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCC1)C(F)(F)F" | 21 | "B8E727524D67CD59" |
"87F271753A8FC15C_3E4ED2981A188542_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCC[S](=O)(=O)C1" | 21 | "B8E727524D67CD59" |
"ECF048754F3C9DDF_72EA3E82C52C006C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1NCCCCC1" | 21 | "B8E727524D67CD59" |
"A6891F4E2B35C5BA_08D03FB5BF3E97F4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCC1(OC)OC" | 21 | "B8E727524D67CD59" |
"6DA9F16004889741_FFD6BF742D9214F4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(C(C)C)CCNC1" | 21 | "B8E727524D67CD59" |
"CAC7154149530103_5F9F1CC2BF01458F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCC)CNCC1" | 21 | "B8E727524D67CD59" |
"1A991D64BEF991CF_E8D93EF78F46DCFC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCCCCCC=C" | 21 | "B8E727524D67CD59" |
"A1A596AE88BD01C1_E3B07388A7DE061B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC[N]1C(=C(N)C=N1)N" | 21 | "B8E727524D67CD59" |
"F6447EBD6B2610AC_5F85A94A064DEDFE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1=COC=C1C" | 21 | "B8E727524D67CD59" |
"811898C46542D83D_8F83EB594B66F52D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(OC)C=CN=C1" | 21 | "B8E727524D67CD59" |
"D34C0BA117E98813_2EA077C9CC3A4A7F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@H]1CC[C@H](CC1)C#N" | 21 | "B8E727524D67CD59" |
"559532D233CCCB0A_445D06DB80B19B62_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)CN1CCCC1" | 21 | "B8E727524D67CD59" |
"DC3EF2E9B73CB8D5_AE69956179FCEEC8_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCCOCCOCCN" | 21 | "B8E727524D67CD59" |
"7D35E10D730D8614_7F2EA9B6F87B3E30_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=C(C(=C1)Cl)Br" | 21 | "B8E727524D67CD59" |
"D6507D3211926115_83BDE6E5A84399EC_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCCCCCCCCN" | 21 | "B8E727524D67CD59" |
"6B4CD4D92A481D91_D6867070BDF2B57F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=NC=C(N)C=C1" | 21 | "B8E727524D67CD59" |
"C50EB21468F6605A_FB20BE940E66CAB1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)(C)C(N)C1CC1" | 21 | "B8E727524D67CD59" |
"B4BEEEBAB669123C_C1BA5ACADED649C2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CNC(N=C1)=O" | 21 | "B8E727524D67CD59" |
"D46CFD317CED1ADC_96BF8DFFA191E65D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1=CC(=CS1)Br" | 21 | "B8E727524D67CD59" |
"89E47D63DB45F595_ACC66E9710DCDA45_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C=C1)Br)C" | 21 | "B8E727524D67CD59" |
"91EB0657C0AC4482_25E6BA76CB3DA3D6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(CC(OCC)=O)N" | 21 | "B8E727524D67CD59" |
"E9BCD8DD23A70270_14C545A90BBEB198_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C)N=CC=N1" | 21 | "B8E727524D67CD59" |
"B28665CCCDBE7BCB_DE5291A01F6AC0D4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CNCCC1(F)F" | 21 | "B8E727524D67CD59" |
"CE0B99C0405082B2_B44DAF74137A8391_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N=CC(=C1)Br)Cl" | 21 | "B8E727524D67CD59" |
"C80455056DAA9D11_126F0C365C1ECE86_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=NC(=C1)Br)C" | 21 | "B8E727524D67CD59" |
"AA7277A32AD20AF1_0E8EBC3EB3A398BB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CN=C(COC)S1" | 21 | "B8E727524D67CD59" |
"DDF25495793EDB6F_9A6B604965F181E9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NN=C(C(C)C)[NH]1" | 21 | "B8E727524D67CD59" |
"D22629747BEF908A_5FD8F437E63CCE9D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=NO1)C(C)=O" | 21 | "B8E727524D67CD59" |
"428E626CBFF96624_BFA2B87E67E9795F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC(=CC=C1)F" | 21 | "B8E727524D67CD59" |
"51195F1DE936A7BE_29B9EF9311939370_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C=CC=C1)Br" | 21 | "B8E727524D67CD59" |
"C35736EAD55680F7_8880AC62B74702F2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=C(OC)C=C1" | 21 | "B8E727524D67CD59" |
"1789CA7CBDF28EE9_2C150872B5B56DAD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCCC1(F)F" | 21 | "B8E727524D67CD59" |
"BAC3117AE5907021_241221F014D38FA9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[N](C=C1)C(F)F" | 21 | "B8E727524D67CD59" |
"56E99F8F13BF8796_E7483918F811E299_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CC(C)OCC1" | 21 | "B8E727524D67CD59" |
"71456E5C95D37241_BB56FF8573D9E5E3_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=N[NH]1)C(C)C" | 21 | "B8E727524D67CD59" |
"CB8C1A661EB58E71_A5EA500B973EAD1B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[N](CCC)C=C1" | 21 | "B8E727524D67CD59" |
"712DDF59817CF805_51C2A257111F2C35_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=N[N]1CCF" | 21 | "B8E727524D67CD59" |
"DCB5EAEDFD0DC7DC_D919627B4CD5823C_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCCOCCNCCN" | 21 | "B8E727524D67CD59" |
"30A2084126A0709F_E784ECD62F509BB6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1C=NC=CC1=O" | 21 | "B8E727524D67CD59" |
"C7BECDA618A664DA_EB98D138998ACA2C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC#CC1=NC=CC=C1" | 21 | "B8E727524D67CD59" |
"44E672BC1193647C_763222E7476B4CBB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CCCC(N)C1" | 21 | "B8E727524D67CD59" |
"2C9594DD67FC21DB_A96DB70575163A08_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C([N](N=C1C)C)C" | 21 | "B8E727524D67CD59" |
"6A21DB4F60E4DD84_088B986461E7E8B6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CC1)C2=CC=CS2" | 21 | "B8E727524D67CD59" |
"AF6F42D86053145E_EFA1A9DABC7A0799_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC(=NC=C1)N" | 21 | "B8E727524D67CD59" |
"5A4FA67B6DBBDA80_EFA81C365AFE3C06_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=NO1)C2CC2" | 21 | "B8E727524D67CD59" |
"3C6B33B8E25FC226_96A176DE9B62C343_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[NH]C(=C1)C2CC2" | 21 | "B8E727524D67CD59" |
"95A3565B0B5732BA_27C2A72E8F3BCC8F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[N](C(C)C)C=C1" | 21 | "B8E727524D67CD59" |
"9ADF4256DD109D3C_0878C1287EF7283C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NOC(=C1)C2CC2" | 21 | "B8E727524D67CD59" |
"E735CDE420B4023A_6BB43C039209FC69_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[N](CC)C=C1Br" | 21 | "B8E727524D67CD59" |
"44F211400622EF67_BC0D4487CBB63EBC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[N](C=C1)CCF" | 21 | "B8E727524D67CD59" |
"BEE46CA603BA8882_ECBED72ED9B6763B_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC1CCNCC1(F)F" | 21 | "B8E727524D67CD59" |
"1BD7838A12250520_863DEAEC25C06809_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1=NC=CC=N1" | 21 | "B8E727524D67CD59" |
"C06EDEDE166CE97D_1C942299924DDA38_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N=N[N]1CC)C" | 21 | "B8E727524D67CD59" |
"984C28220F2B06FC_497355B6079331B7_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=C(C=C1)C#N" | 21 | "B8E727524D67CD59" |
"C7354FE19A7F30DE_72360133256325D9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C)C=CC=N1" | 21 | "B8E727524D67CD59" |
"9F5985CAE02908C3_D8A8E04E79B87986_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[N](CC)N=C1C" | 21 | "B8E727524D67CD59" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.