product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"9E1C1921B08F88DB_44171AFE1FAA3A40_6031_UN" | "COCC(C)C(=O)OCC2=C[N](CC1=CC=CC=C1)N=N2" | 21 | "62D927534FAA4E2D" |
"F2F0D6B0DDA9C82F_143E824AEC0FEA67_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"C4D52C56C1AC6A98_CA731EED2254224D_6031_UN" | "COCC(C)C(=O)OCC(CN)CC1=CC(=C(C=C1)F)F" | 21 | "62D927534FAA4E2D" |
"3C2CA96AF127E46B_28265E1CB8CF657C_6031_UN" | "COCC(C)C(=O)OCC(C(OC)=O)(C)C1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"BDB7EDEC3D2BF5EC_D481712E032599BD_6031_UN" | "COCC(C)C(=O)OCC(C)NC1CCCC1[S](=O)(=O)C" | 21 | "62D927534FAA4E2D" |
"D4BB3AE6A674B2BE_7CE6020611102BA8_6031_UN" | "COCC(C)C(=O)OCC1=C(C=CC=C1Cl)N2CCCC2" | 21 | "62D927534FAA4E2D" |
"F818AE9444809EFB_D67A8C9C7B77FFA1_6031_UN" | "COCC(C)C(=O)OCCNCC1=CC=CC(=C1)OCC" | 21 | "62D927534FAA4E2D" |
"37A0A91822DCE626_C07A0B58A007770A_6031_UN" | "COCC(C)C(=O)OCC1=N[N](C=C1)C2=C(C=CC=C2)F" | 21 | "62D927534FAA4E2D" |
"A984120E2BDD71DA_BE098979125B43E2_6031_UN" | "COCC(C)C(=O)OCC1=CN=C[N]1CC2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"A195A625CD5D64E4_D948BD359CF1C21B_6031_UN" | "COCC(C)C(=O)OCC1=C(C=CC=C1)C2CCNCC2" | 21 | "62D927534FAA4E2D" |
"0CF03D4FB6505DBE_1AB06778AA168554_6031_UN" | "COCC(C)C(=O)OCC1=C(C=C(C=C1F)C(F)(F)F)F" | 21 | "62D927534FAA4E2D" |
"DD8A9603D6E383E0_15E7438F32F7315D_6031_UN" | "COCC(C)C(=O)OCC1=C(C=C(C=C1)OC(F)(F)F)F" | 21 | "62D927534FAA4E2D" |
"7D22B0C8FFB9CC56_CDEA964B60AC6D27_6031_UN" | "COCC(C)C(=O)OCC2(CC1=CC=CC=C1)CCCN2" | 21 | "62D927534FAA4E2D" |
"9A7F4B5508B5E490_B9DC7C034FDAACD5_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(OC(CC)C#C)C=C1" | 21 | "62D927534FAA4E2D" |
"4EFF285789C4A848_F3BA94439F68CFC2_6031_UN" | "COCC(C)C(=O)OCCCNCC1=CC=C(OC)C=C1" | 21 | "62D927534FAA4E2D" |
"685AA5599B753C5D_3AD3B2A2EFCD9FC8_6031_UN" | "COCC(C)C(=O)OCC(CC)NCC1=C(C=CC=C1)Br" | 21 | "62D927534FAA4E2D" |
"BB1121F5C1E81D6E_188317C94A665F11_6031_UN" | "COCC(C)C(=O)OCC1(CN)C(C1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"C092B71D9960D054_7CAC72D92C78BCC9_6031_UN" | "COCC(C)C(=O)OCC1=CC(=C(C(=C1)F)C(F)(F)F)F" | 21 | "62D927534FAA4E2D" |
"6DB1A3C0A8F81ED2_AC752BF4A7824B5E_6031_UN" | "COCC(C)C(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)Br" | 21 | "62D927534FAA4E2D" |
"DD0F0F9540E1D1AF_812114A4FC95128C_6031_UN" | "COCC(C)C(=O)OCC1=CC(=C(C(=C1)Cl)C(F)(F)F)Cl" | 21 | "62D927534FAA4E2D" |
"2B0F8F10AC64A13F_06E338FBA311EE36_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(C=C1)[S](=O)(=O)CC#C" | 21 | "62D927534FAA4E2D" |
"F3AB47C5AF9AB82D_E22BBAAE6C1C0CDD_6031_UN" | "COCC(C)C(=O)OCC1=C(C)C=C(C=C1)[N]2C=CN=C2" | 21 | "62D927534FAA4E2D" |
"5CB911472C9F0F32_B675C28E210C5E48_6031_UN" | "COCC(C)C(=O)OCC1=C(C=CC(=C1)F)[N]2C=NC=N2" | 21 | "62D927534FAA4E2D" |
"6517C3C93683879E_481C63FA98F4A59F_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(C=C1)C#CC(F)(F)F" | 21 | "62D927534FAA4E2D" |
"24F1D61AC4E365D9_5F7170BB0ED13D81_6031_UN" | "COCC(C)C(=O)OCC1(CCOCC1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"CEE9133F933866E7_D079EA96055C0573_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(C=C1)N2CCOCC2" | 21 | "62D927534FAA4E2D" |
"14FBF82E386C8B0F_64D9FD944FED4F3E_6031_UN" | "COCC(C)C(=O)OCCC(C)C1=C[NH]C2=C1C=CC=C2" | 21 | "62D927534FAA4E2D" |
"435E6B1033FFD5AF_771F70630A46742F_6031_UN" | "COCC(C)C(=O)OCC1CN(CCO1)C2=NC=CC=N2" | 21 | "62D927534FAA4E2D" |
"C1168DF7DE7B904D_B1354847F3FE60B8_6031_UN" | "COCC(C)C(=O)OCC1=CC(=CC=C1)N2CCCC2=O" | 21 | "62D927534FAA4E2D" |
"97F8BA045CDB0A38_127D76BF047D5275_6031_UN" | "COCC(C)C(=O)OCC1=C(C=C(C=C1)OC(F)(F)F)Cl" | 21 | "62D927534FAA4E2D" |
"28756E3B87FCCFBD_03E19708125B563E_6031_UN" | "COCC(C)C(=O)OCC[S](C1=CC(=C(C=C1)N)C)(=O)=O" | 21 | "62D927534FAA4E2D" |
"C718329C897851CA_5108A6AA29D75F69_6031_UN" | "COCC(C)C(=O)OCC1(CN)CC(C1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"48E66300B882A449_DB42C069BBC887C3_6031_UN" | "COCC(C)C(=O)OCCC(CCCCCCCCC)C" | 21 | "62D927534FAA4E2D" |
"A6B7FAE2935FD548_5ECB3D6AF0B0E18B_6031_UN" | "COCC(C)C(=O)OCC[S](C1=CC(=C(N)C=C1)F)(=O)=O" | 21 | "62D927534FAA4E2D" |
"67D83D5436E65431_B37BA6429CCBF112_6031_UN" | "COCC(C)C(=O)OCC[N]1N=C(C(CC)(C)C)C=C1N" | 21 | "62D927534FAA4E2D" |
"B6D1D3AEA86026A6_CD9D59EE93A05DFD_6031_UN" | "COCC(C)C(=O)OCCC1=C[N](N=C1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"EC53918902E64F81_E4BA39F27E3C0A0A_6031_UN" | "COCC(C)C(=O)OCCN(C)CC1=C(C=CC(=C1)N)Cl" | 21 | "62D927534FAA4E2D" |
"F0B2A2B60C16220A_5ED8BD7B2B3DFE96_6031_UN" | "COCC(C)C(=O)OCC1=C(C=CC(=C1)Cl)OCC2CC2" | 21 | "62D927534FAA4E2D" |
"147175DE134351CF_C57382DCC4F2B44A_6031_UN" | "COCC(C)C(=O)OCC1=C(C=C(C=C1)Cl)[N]2C=NC=N2" | 21 | "62D927534FAA4E2D" |
"84E8244A1AA2DFF6_E3EE3CBE169D1424_6031_UN" | "COCC(C)C(=O)OCC1(CCC(C)CC1)NCC(F)F" | 21 | "62D927534FAA4E2D" |
"0D2335DB46C28E16_7F6701EEDF1B2266_6031_UN" | "COCC(C)C(=O)OCCOC(=O)NCC1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"81E5FAAF94573D25_FA0C261E1F5CDA66_6031_UN" | "COCC(C)C(=O)OCC(C)C1=CC=C(C=C1)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"651F17B668BA5C19_02E0CD91C111ABDA_6031_UN" | "COCC(C)C(=O)OCC2=C[N](C1=C(C)C=CC=C1)N=N2" | 21 | "62D927534FAA4E2D" |
"65323D092FC7A8AB_C0B36E6672BB43CC_6031_UN" | "COCC(C)C(=O)OCC(=O)N(C1CC1)C2=CCCCC2" | 21 | "62D927534FAA4E2D" |
"37F4571899342E9D_28F8740C97EE9D57_6031_UN" | "COCC(C)C(=O)OCCOCCNC1=NC=C(C=C1)Br" | 21 | "62D927534FAA4E2D" |
"76BABFE6A78E2A8C_3DDE3397012BB97C_6031_UN" | "COCC(C)C(=O)OCC12CCC(CC1)(C(F)(F)F)CC2" | 21 | "62D927534FAA4E2D" |
"6EE3AB4772E1FCF2_AECB18BEB228F804_6031_UN" | "COCC(C)C(=O)OCCC1=CC=CC(=C1)OCC(C)C" | 21 | "62D927534FAA4E2D" |
"1AF7B156E5D03F87_64F6DD7FE07F2552_6031_UN" | "COCC(C)C(=O)OCCC1=NN=C(O1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"4F757700F3D9AFBB_9C5D7FBB4EA4165F_6031_UN" | "COCC(C)C(=O)OCC1=C[N](N=N1)C2=C(C=CC=C2)Br" | 21 | "62D927534FAA4E2D" |
"C8E01CA173AD1A5E_4A8372C4B797EE12_6031_UN" | "COCC(C)C(=O)OCC[N]1C2=C(N=C1C)CC(CC2)N" | 21 | "62D927534FAA4E2D" |
"8328CF69416B5E44_6CFD5CFA133683B6_6031_UN" | "COCC(C)C(=O)OCCC1CCC(C(CC)(C)C)CC1" | 21 | "62D927534FAA4E2D" |
"7468C9FBBE8A3636_9B029B0E7EFE650B_6031_UN" | "COCC(C)C(=O)OCC2(CNCC1=CC=CC=C1)CC2" | 21 | "62D927534FAA4E2D" |
"59754CBE28AE49C7_6E9996B6FF079A53_6031_UN" | "COCC(C)C(=O)OCCCCCCCCCCCNC" | 21 | "62D927534FAA4E2D" |
"4A26E27CEA753B47_6E74011E0F199AF1_6031_UN" | "COCC(C)C(=O)OC[C@@H]2C[C@H](NCC1=CC=CS1)C=C2" | 21 | "62D927534FAA4E2D" |
"E75482983DEBD060_0D1E85D328687F77_6031_UN" | "COCC(C)C(=O)OCCCNC2=N[N]1C=CN=C1C=C2" | 21 | "62D927534FAA4E2D" |
"C9D0BC5EDD9CCF6B_32B1041EF7C4DCE3_6031_UN" | "COCC(C)C(=O)OC[C@H](C)NCC(C)C1=CC=CC=C1" | 21 | "62D927534FAA4E2D" |
"6E01DC1E3B9ED1BF_D3A403CDB42FBC84_6031_UN" | "COCC(C)C(=O)OCC1CCN(C1)C2=C(C=CC=C2)Cl" | 21 | "62D927534FAA4E2D" |
"E67987D85A653930_DC7006ED8B150542_6031_UN" | "COCC(C)C(=O)OCCOC1=C(C(C)N)C=CC(=C1)Br" | 21 | "62D927534FAA4E2D" |
"88C695A67E2E3E9A_83B12B44AB1A725F_6031_UN" | "COCC(C)C(=O)OCC1CCN(C1)C2=C(C=CC=C2)F" | 21 | "62D927534FAA4E2D" |
"0426FE164B509102_4E2B3E0497FF743B_6031_UN" | "COCC(C)C(=O)OCC2(C(N)C1=CC=CC=C1)CCC2" | 21 | "62D927534FAA4E2D" |
"62F0B6F57EF5F925_39B19F2C43F5E011_6031_UN" | "COCC(C)C(=O)OCC1=NC=C(C=C1)OCC(F)(F)F" | 21 | "62D927534FAA4E2D" |
"EF81C62150A15D2B_D933C19A3C15104D_6031_UN" | "COCC(C)C(=O)OCCC(C1=CC=CC=C1)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"CED4AC217A5EB857_EF427077629C84F3_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=C1)C2=CC=C(C=C2)Cl" | 21 | "62D927534FAA4E2D" |
"B8FADF54F42E51C3_04C3E92049C0446B_6031_UN" | "COCC(C)C(=O)OCC1(F)CNCC1C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"7415730DE2EE8180_2359D7319B173BEC_6031_UN" | "COCC(C)C(=O)OCC(NC)C1=C(C=CC(=C1)OC)Br" | 21 | "62D927534FAA4E2D" |
"605AF03BC0B7D715_BCB33DB42493E1B3_6031_UN" | "COCC(C)C(=O)OCC1=CN=C([NH]1)C2=CC=C(C=C2)F" | 21 | "62D927534FAA4E2D" |
"C2A78EF852D66067_FEC04829D3C16BD8_6031_UN" | "COCC(C)C(=O)OCC2(CC1=CC=CC=C1)CCNC2" | 21 | "62D927534FAA4E2D" |
"67432DE9A1DA76CA_547616B8820D65A0_6031_UN" | "COCC(C)C(=O)OCC1CCCN1C2=CC=NC(=N2)N" | 21 | "62D927534FAA4E2D" |
"563CD20122559F71_BBA8A9B377FF7308_6031_UN" | "COCC(C)C(=O)OCC1CN(CCO1)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"76CEE133712AAEEB_BB9E8A1E4FBD1042_6031_UN" | "COCC(C)C(=O)OC[C@H](C(C)C)NC1=NC=C(C=C1)Br" | 21 | "62D927534FAA4E2D" |
"5AD9667F442BDAA0_293B888D326889A0_6031_UN" | "COCC(C)C(=O)OCC1=NOC(=C1)C2=CC(=CC=C2)F" | 21 | "62D927534FAA4E2D" |
"660C7401BB0ECE7D_17A154F34FF2B274_6031_UN" | "COCC(C)C(=O)OCCCC1=NC=C(C(=C1C)OC)C" | 21 | "62D927534FAA4E2D" |
"23A098EC242CCBD1_43200E30049514E3_6031_UN" | "COCC(C)C(=O)OCCOC1=C(OC)C=C(C=C1)C#N" | 21 | "62D927534FAA4E2D" |
"8534A35035C89A49_550CC3AB7F8C182A_6031_UN" | "COCC(C)C(=O)OCC1=CN=C(C=C1)OCC(F)(F)F" | 21 | "62D927534FAA4E2D" |
"7F4B821E2DC2FA5E_9B67DA82EA034BF9_6031_UN" | "COCC(C)C(=O)OCC1=C[N](C)N=C1C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"FEDCAA391C8EE800_38268162C30D1D6F_6031_UN" | "COCC(C)C(=O)OCC1=NC(=NO1)C2=CC(=CC=C2)Cl" | 21 | "62D927534FAA4E2D" |
"DB6B00F162A643F5_93B0A903FB417814_6031_UN" | "COCC(C)C(=O)OCC[N]1N=CC=C1C2CCNCC2" | 21 | "62D927534FAA4E2D" |
"69410C102FA98CD4_B0BA62FEA4CC62D8_6031_UN" | "COCC(C)C(=O)OCC2=CC1=C(C=C(OC)C=C1)C=C2" | 21 | "62D927534FAA4E2D" |
"6718E11B2BEBB124_B140EC3216381797_6031_UN" | "COCC(C)C(=O)OCC(CN)CC1=C(C=CC(=C1)Br)F" | 21 | "62D927534FAA4E2D" |
"631E50AF803D365D_98CDB1E0C59F71F8_6031_UN" | "COCC(C)C(=O)OCC(CC1=CC(=C(C)C=C1)Br)CN" | 21 | "62D927534FAA4E2D" |
"6718E11B2BEBB124_04624DB45122DEE3_6031_DP" | "COCC(C)C(=O)OCC(CN)CC1=C(C=CC(=C1)Br)F" | 21 | "62D927534FAA4E2D" |
"8D3231FFFC71DB6E_36B384303CD22635_6031_UN" | "COCC(C)C(=O)OCCNC1=NC=C(C=C1)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"8545E319AC42C55E_B97FFB454F5150DF_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(C(C)C(F)(F)F)C=C1" | 21 | "62D927534FAA4E2D" |
"4E35B1A0F296D0FA_95AD79FE4748434C_6031_UN" | "COCC(C)C(=O)OCC[S](C1=CC=C(CN)C=C1)(=O)=O" | 21 | "62D927534FAA4E2D" |
"ED314685359E914B_589DD5EC9B2387EC_6031_UN" | "COCC(C)C(=O)OCC(CC1=C(C=CC(=C1)Br)F)C#N" | 21 | "62D927534FAA4E2D" |
"201902D4882972AC_6EB478B39AB4FDBD_6031_UN" | "COCC(C)C(=O)OCC(CC1=CC(=C(C)C=C1)Br)C#N" | 21 | "62D927534FAA4E2D" |
"D86FCECF9002C0A9_70D274CF0B4CB6FD_6031_DP" | "COCC(C)C(=O)OCC(CN)CC1=CC(=CC(=C1)F)Br" | 21 | "62D927534FAA4E2D" |
"949EB00DD11E2D35_1F9874879287B889_6031_UN" | "COCC(C)C(=O)OCC1CN(C1)C(=O)C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"9B278A3E46DC767B_D9AE09C4D4DE6805_6031_UN" | "COCC(C)C(=O)OCC(CC1=C(C)C(=CC=C1)Br)CN" | 21 | "62D927534FAA4E2D" |
"19DF5EDA4FEB38CE_3F5E70ABF1857ADA_6031_UN" | "COCC(C)C(=O)OCC1=CC(=CC(=C1)[S](CC)(=O)=O)Cl" | 21 | "62D927534FAA4E2D" |
"CD3A0E1D7AB790A3_51D2EB0B97055594_6031_UN" | "COCC(C)C(=O)OCC1=CC=C(OC(CC)CC)C=C1" | 21 | "62D927534FAA4E2D" |
"D86FCECF9002C0A9_6651CC9FC2C78801_6031_UN" | "COCC(C)C(=O)OCC(CN)CC1=CC(=CC(=C1)F)Br" | 21 | "62D927534FAA4E2D" |
"3350032CA7C558C9_E3B295822A1725E1_6031_UN" | "COCC(C)C(=O)OCCN(C(C)C)CC1CCNCC1" | 21 | "62D927534FAA4E2D" |
"E53C4566BDD75468_E7E3B8804FCE96AA_6031_UN" | "COCC(C)C(=O)OC[C@@H]1CCCC[C@@H]1C2=CC=CC=C2" | 21 | "62D927534FAA4E2D" |
"2A15D4469EC1355E_71AFE342EE5E47F4_6031_UN" | "COCC(C)C(=O)OCC1=C(C=CC=C1)C(=O)C(F)(F)F" | 21 | "62D927534FAA4E2D" |
"8F024E624C0C6AD1_A72F69E140448AA1_6031_UN" | "COCC(C)C(=O)OCC2=CC1=C(C=CC(=C1)C)N=C2Cl" | 21 | "62D927534FAA4E2D" |
"2409C9C8D6D647FA_0D6A3A4E137A3A6C_6031_UN" | "COCC(C)C(=O)OCC1=CN=C(C=C1)C2=NC=CC=C2" | 21 | "62D927534FAA4E2D" |
"C57D9FC1F8BDF77F_B5B83FA4D8F79FF7_6031_UN" | "COCC(C)C(=O)OCC2(C(N)C1CCOCC1)CCC2" | 21 | "62D927534FAA4E2D" |
"4E7281B7E4B168F5_A12C206A662E2C53_6031_UN" | "COCC(C)C(=O)OCCC1=CC2=C(C=C1)OC(F)(F)O2" | 21 | "62D927534FAA4E2D" |
"348646AD289C9D3F_B9D3924773DF9781_6031_UN" | "COCC(C)C(=O)OCCC2=C1OC(OC1=CC=C2)(F)F" | 21 | "62D927534FAA4E2D" |
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