product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"230BA215BCAA3333_44149DB327DC0B07_6031_UN" | "COCC(C)C(=O)OCC1=NC=CC(=C1)OCCN(C)C" | 21 | "62D927534FAA4E2D" |
"BECFB7FBE977D7B8_D478A79BF7ED0EAE_6031_UN" | "COCC(C)C(=O)OCC1=C(N(C)C)C=CC(=C1)[N](=O)=O" | 21 | "62D927534FAA4E2D" |
"E9D55CB75A348DBD_3AA67E24414D343E_6031_UN" | "COCC(C)C(=O)OCC1=C(SCC(OC)=O)C=CC=C1" | 21 | "62D927534FAA4E2D" |
"10290AB7744FB048_B95071FCE624D3B7_6031_UN" | "COCC(C)C(=O)OC[C@H]1[C@@H](CNC1)C2=CC=C(C=C2)Cl" | 21 | "62D927534FAA4E2D" |
"F7950360635BAFBA_2C1E0E2F506FBF83_6031_UN" | "COCC(C)C(=O)OCC(C)C1=CC2=C(C=C1)C=CC=C2" | 21 | "62D927534FAA4E2D" |
"0767112935953C9D_D5F7B643E3462786_6031_UN" | "COCC(C)C(=O)OCC(C1=CC=C(OC)C=C1)C(C)C" | 21 | "62D927534FAA4E2D" |
"D1FEE80A7F280CB5_70929FF300EE88C2_6031_UN" | "COCC(C)C(=O)OCCN2CCC1(CCCCC1)CC2" | 21 | "62D927534FAA4E2D" |
"EF806890D24A005C_3793C93C6A831834_6031_UN" | "COCC(C)C(=O)OCC1=CC(=NO1)CC2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"CF116FFA3DA49A66_AF2690BBCF7A7C0A_6031_UN" | "COCC(C)C(=O)OCCCCC1=CC2=C(C=C1)OCO2" | 21 | "62D927534FAA4E2D" |
"AE72F35929E5AE57_7A1B5A46CA3A93C3_6031_UN" | "COCC(C)C(=O)OCC2=C[N]([C@H]1[C@H](CN)COC1)N=N2" | 21 | "62D927534FAA4E2D" |
"12FCBE3E3B99C217_2CF3A87412C9DD0E_6031_UN" | "COCC(C)C(=O)OCC2=CC=C(C1=C[N](C)N=C1)C=C2" | 21 | "62D927534FAA4E2D" |
"4CF1E91898CF0CD6_5B8FAADF331D5CC6_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(OCCCCC)C=C1" | 21 | "62D927534FAA4E2D" |
"966080D781D958A8_449F80B65BB006AD_6031_DP" | "COCC(C)C(=O)OCC23OC1(CCNCC1)C(C2)(N)C3" | 21 | "62D927534FAA4E2D" |
"556175E659A37869_1F8886677C5C3AA5_6031_UN" | "COCC(C)C(=O)OCCCC1=CC(=C([N]1C)C)C(C)=O" | 21 | "62D927534FAA4E2D" |
"1B956E8A25C5F499_0F5C5F1322A90715_6031_UN" | "COCC(C)C(=O)OCC12CC(N)(C1)C3(O2)CCOCC3" | 21 | "62D927534FAA4E2D" |
"90A2DE1015350DFB_7A6F4F9FF76F3822_6031_UN" | "COCC(C)C(=O)OCC2OCCN(C1=NC=C[N]1C)C2" | 21 | "62D927534FAA4E2D" |
"732DB71F5A30E7A8_A482983920328808_6031_UN" | "COCC(C)C(=O)OCC(C1=CC(=C(C=C1)C#N)OC)C" | 21 | "62D927534FAA4E2D" |
"A294D4AF0B4737D0_491CFCE8A3864EFA_6031_UN" | "COCC(C)C(=O)OCCO[S](C1=CC=C(C)C=C1)(=O)=O" | 21 | "62D927534FAA4E2D" |
"558BA14E33E01344_C482E979AF40E237_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=C1)CC2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"B4E1B5FEEDAC97D1_7FE8B2F85110B36D_6031_UN" | "COCC(C)C(=O)OCC1=NC(=CS1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"9704CC2F60B47B00_F6DC94CCAC245550_6031_UN" | "COCC(C)C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2" | 21 | "62D927534FAA4E2D" |
"DF28DE535703C30E_ABF366F60F2B4DFC_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=C1)C2=CC(=CC=C2)Cl" | 21 | "62D927534FAA4E2D" |
"2C2E2F223672081F_5DE49669F98F55DD_6031_UN" | "COCC(C)C(=O)OCC(NC1=C(CC)C=CC=C1C)C" | 21 | "62D927534FAA4E2D" |
"CCA1170ADCCDF9EA_BE1E6815779A2ED5_6031_UN" | "COCC(C)C(=O)OCC(N)C23CC1CC(CC(C1)C2)C3" | 21 | "62D927534FAA4E2D" |
"C43E77AEFA351FA3_B246BEFC4EF3C045_6031_UN" | "COCC(C)C(=O)OCC1=N[N](C=C1)CC2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"DD6A4F24C1484A60_F4BAEB7466CD19DF_6031_UN" | "COCC(C)C(=O)OCC1CN(C(=O)O1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"3A0B22BE26AEA740_098A48512676817C_6031_UN" | "COCC(C)C(=O)OCC2CC1(CC(N)CC[S]1(=O)=O)C2" | 21 | "62D927534FAA4E2D" |
"DCCE23210C94F01E_7C1B34E60A51C7AD_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(C=C1)OCCCC#N" | 21 | "62D927534FAA4E2D" |
"903773C225D88E8F_9B40B2B66BBE7A62_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=C1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"76B66E71E7BBA832_27298447D4B097A6_6031_UN" | "COCC(C)C(=O)OCCNC2=NC1=C(N)[NH]C=NC1=N2" | 21 | "62D927534FAA4E2D" |
"8ABEF6E2296772B6_EF8F2158775E15FC_6031_UN" | "COCC(C)C(=O)OCC2=CC=C(C1=C(C)N=CS1)C=C2" | 21 | "62D927534FAA4E2D" |
"7D85B43FEA509958_1932915B0FE5208A_6031_UN" | "COCC(C)C(=O)OCCOCCOCC1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"50AED9ADC131A0EE_4B76E3E0A06325E2_6031_UN" | "COCC(C)C(=O)OCC1(CN)COCC2COCCN12" | 21 | "62D927534FAA4E2D" |
"6676669BF7706F40_771D6D086956579C_6031_UN" | "COCC(C)C(=O)OCC1=C(OCC(C)C)C=CC(=C1)Cl" | 21 | "62D927534FAA4E2D" |
"7E6CA7FFFC2C5D25_47C6A2792970C1DC_6031_UN" | "COCC(C)C(=O)OCC2CCC1(CCCCCCC1)O2" | 21 | "62D927534FAA4E2D" |
"C7A913578984B33A_40DE9A70328C7A46_6031_UN" | "COCC(C)C(=O)OCCCCNC(=O)N1CCOCC1" | 21 | "62D927534FAA4E2D" |
"1728FD31744271E1_A12588962C1062DE_6031_UN" | "COCC(C)C(=O)OCC1=C(C)N=C(S1)N2CCOCC2" | 21 | "62D927534FAA4E2D" |
"5AA73630505A3B50_6526E33AF2C2B41B_6031_UN" | "COCC(C)C(=O)OCC(CC(F)(F)F)C1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"08EE9A37F705C68B_BD52D5AC48F8C3B4_6031_UN" | "COCC(C)C(=O)OCC1=C(C)C(=N[NH]1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"E91BAD91D8710E36_1F21522A0D29D7EF_6031_UN" | "COCC(C)C(=O)OCC2(C(C1=C[N](C)N=C1)N)CCC2" | 21 | "62D927534FAA4E2D" |
"19A50BE8A91B3636_5A414A95E51DAD69_6031_UN" | "COCC(C)C(=O)OCC[N]2C1=C(C(N)CCCC1)C=N2" | 21 | "62D927534FAA4E2D" |
"8D9F415B94205306_4211D4563AB54093_6031_UN" | "COCC(C)C(=O)OCC2OCC1(CC(OC)(C1)OC)C2" | 21 | "62D927534FAA4E2D" |
"0095A1DC2256C6A2_7ECF659F312231CC_6031_UN" | "COCC(C)C(=O)OCC1=C(N=CC(=C1)Br)OCC2CC2" | 21 | "62D927534FAA4E2D" |
"49C17D57D227F630_12498B962ADD0C96_6031_UN" | "COCC(C)C(=O)OCC1=N[N](C=C1)C2=CC=C(C=C2)Cl" | 21 | "62D927534FAA4E2D" |
"7846807BFDA7569F_A49F782562C13E4B_6031_UN" | "COCC(C)C(=O)OCC1=NC2=C([N]1CC)C=CC(=C2)F" | 21 | "62D927534FAA4E2D" |
"D3E7AA2740B79A1F_9FD852D023FBC32F_6031_UN" | "COCC(C)C(=O)OCC2=N[N](C1=CC=C(C)C=C1)C=C2" | 21 | "62D927534FAA4E2D" |
"34D27AEC5F61B192_0A12A6B35415438C_6031_UN" | "COCC(C)C(=O)OC[C@@]1(CN)[C@H](CC1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"1901466A87EFB789_959959680EB1A9BB_6031_UN" | "COCC(C)C(=O)OCC(C)(C)[S](=O)(=O)C1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"515F4B5D56697CA1_11B8EFF75F4EA482_6031_UN" | "COCC(C)C(=O)OCCNC1(C(OC)=O)CCOCC1" | 21 | "62D927534FAA4E2D" |
"EB4FD96BFA3AD446_84F622BDCE23B279_6031_UN" | "COCC(C)C(=O)OCC1(COCCN1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"E732C4CEE681F067_23C034097C6B62E0_6031_UN" | "COCC(C)C(=O)OCC1=C([NH]C2=C(OC)C=CC=C12)C" | 21 | "62D927534FAA4E2D" |
"CDB733E57DE26FFB_4D64490EAE339B2A_6031_UN" | "COCC(C)C(=O)OCCCCCCCC1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"AA402810A3C76BE0_7C960EE11F1F8398_6031_UN" | "COCC(C)C(=O)OCC1=NN=C(O1)C2=C(C=CC=C2)Cl" | 21 | "62D927534FAA4E2D" |
"F45453E0FF0445CD_8209FF7857661BFD_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=C1)C2=C(C=CC=C2)F" | 21 | "62D927534FAA4E2D" |
"E71AFEEEE4E902B4_03601A5C5502C08A_6031_UN" | "COCC(C)C(=O)OCCCC1=CC(=CC=C1)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"C63D20667C5F116E_EF9C609FA6FE154A_6031_UN" | "COCC(C)C(=O)OCCCNC(=C1N=CC=CC1=O)O" | 21 | "62D927534FAA4E2D" |
"1BE5DD915FB8A523_7B4652642710D97E_6031_UN" | "COCC(C)C(=O)OCC1(CCNCC1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"1CFEC45A656FD69D_0F5A3C9E71C3ED0B_6031_UN" | "COCC(C)C(=O)OCC23CC1(CC(CC(C)(C1)C2)C3)C" | 21 | "62D927534FAA4E2D" |
"2D28B443543D17C5_61274F9BD370617D_6031_UN" | "COCC(C)C(=O)OCC1=CC(=C(C=C1)OC(F)F)OC" | 21 | "62D927534FAA4E2D" |
"8D86114B7BFAED09_FB642CD8D0A119EF_6031_UN" | "COCC(C)C(=O)OCC1CCCCN1C2=NC=CN=C2" | 21 | "62D927534FAA4E2D" |
"ACD05E510442376F_4D8EBBC2D3EAE63F_6031_UN" | "COCC(C)C(=O)OCC1=CC=CC(=C1OC(F)F)OC" | 21 | "62D927534FAA4E2D" |
"626FB4963D48CFF9_A3574382A9921A71_6031_UN" | "COCC(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F" | 21 | "62D927534FAA4E2D" |
"D008CD0FF0940384_71AC3EFB06C3528B_6031_UN" | "COCC(C)C(=O)OCC1=CN=C(C)[N]1C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"C619E69820EACB3E_36B5FE5744E97F0B_6031_UN" | "COCC(C)C(=O)OCCCC1=NN=C2[N]1C=C(N)C=C2" | 21 | "62D927534FAA4E2D" |
"11C1285FEEBDBB36_45B7947088A6CE62_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=N1)C2=C(C)C=CC=C2" | 21 | "62D927534FAA4E2D" |
"9703D6064D1500AF_0761C195FDAA86FD_6031_UN" | "COCC(C)C(=O)OCC1=C(OC)C=CC(=C1)[S](=O)(=O)C" | 21 | "62D927534FAA4E2D" |
"132C00CBFD50C07F_FDD34FE56C3C0F3F_6031_UN" | "COCC(C)C(=O)OCC1=N[N](C(=C1)C)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"3B8A5F34D551DBDC_EE3E3F6E4A21B0B5_6031_UN" | "COCC(C)C(=O)OCC(N)C1=C(C=CC=C1)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"6316344FC2D166B7_64D67B1C8B2E4FB4_6031_UN" | "COCC(C)C(=O)OCC2=NC1=C(N=C(N)N=C1N)N=C2" | 21 | "62D927534FAA4E2D" |
"27DCE2FD71A7C94A_4F7ACC4A52D4AFB2_6031_UN" | "COCC(C)C(=O)OCC1=NN=C(S)[N]1C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"D4510E5609809F29_E5ECB3459EC39582_6031_UN" | "COCC(C)C(=O)OCC1(OC)CN(CCC1)CCC#C" | 21 | "62D927534FAA4E2D" |
"03A5EE8ADF8EE849_9F9A5D4E4958127E_6031_DP" | "COCC(C)C(=O)OCC(CN)CC1=CC(=C(C=C1)F)Br" | 21 | "62D927534FAA4E2D" |
"A43ED8F1F03E478B_AF6B79C50575D247_6031_UN" | "COCC(C)C(=O)OCC(N)(C1=CC=CC=C1)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"ACE2C86AD5A0ACE6_D0186191942A4F22_6031_UN" | "COCC(C)C(=O)OCC(CC1=CC(=C(OC)C=C1)F)C" | 21 | "62D927534FAA4E2D" |
"E1B7838FE8D4A921_54079DBEED6B2CDE_6031_UN" | "COCC(C)C(=O)OCC1(COCC2(N1C)CCC2)CN" | 21 | "62D927534FAA4E2D" |
"9E0CC2B7CA9B90E2_07C3115B84DF3934_6031_UN" | "COCC(C)C(=O)OCCN(CC)C1(CCCCC1)C#C" | 21 | "62D927534FAA4E2D" |
"914B604914DA55CB_D69610D5E0DCA9B7_6031_UN" | "COCC(C)C(=O)OCC1(CC(F)(F)C1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"9C98F563A8987CCD_68DB295FF5DDA89C_6031_UN" | "COCC(C)C(=O)OCC1=N[N](C=C1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"482BD18C50E7F63F_1C737C9EB81B16AD_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCC=C" | 21 | "04826056A9494BBD" |
"4132851CD948EC0F_2B346E7395175BA5_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC2CC2" | 21 | "04826056A9494BBD" |
"19A7234B11A90E5D_CCCBCC2E91993FDF_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2CC2C" | 21 | "04826056A9494BBD" |
"C03467B103D0D9FD_7CD4139ECE0F6D5F_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC[N](=O)=O" | 21 | "04826056A9494BBD" |
"440DB36D450B18FA_CA2991471424CF89_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2CCC2" | 21 | "04826056A9494BBD" |
"965772B5DB200410_86A56B0BA6BC9241_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)CN" | 21 | "04826056A9494BBD" |
"6B13F0E4823E480E_DDC41F3887C33ED9_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCOC" | 21 | "04826056A9494BBD" |
"069053B60BF4B29C_CD60F0343D5A7A21_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCC#N" | 21 | "04826056A9494BBD" |
"878F95D3DEE30985_A84815A1B3593397_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(C)N" | 21 | "04826056A9494BBD" |
"8153335C0205DF82_A6B640D0B55C56FD_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(OC)C" | 21 | "04826056A9494BBD" |
"7D14304615E40652_4409AF98E61792BD_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)C#N" | 21 | "04826056A9494BBD" |
"581CB449291BFC5B_2E5E7898EE08BC73_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(N)(C)C" | 21 | "04826056A9494BBD" |
"EDF97849524C2DD5_791C08E77E887F5C_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(N)=N" | 21 | "04826056A9494BBD" |
"1768D50D5BC7128B_D5144C0847636994_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(C)=C" | 21 | "04826056A9494BBD" |
"4BCE24AE45B776A4_365D14529BFCE120_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(C)S" | 21 | "04826056A9494BBD" |
"E37A9F73709C5C6E_42FC26837B528114_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(Cl)(Cl)Cl" | 21 | "04826056A9494BBD" |
"6B0892C95714770B_34E1006CE896D0A5_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)CBr" | 21 | "04826056A9494BBD" |
"2B45CA0AA462BB0D_19B3F4120B335246_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2CC2Cl" | 21 | "04826056A9494BBD" |
"11F9C36E559D696D_2B1B98D531BF7495_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H](CC)N" | 21 | "04826056A9494BBD" |
"D7CFD6D8944586A8_2FF02DD587D6FC4E_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(CC)C" | 21 | "04826056A9494BBD" |
"FF9156B4A4072062_E6EA362E861B5895_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC=C(C)C" | 21 | "04826056A9494BBD" |
"D09C04739AD80F50_84E41481478064E9_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(NC)C" | 21 | "04826056A9494BBD" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.