product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"147E58961B275087_F117C7297A843312_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CN=C(N)C=C2" | 21 | "6269CE3201B8511C" |
"EE1C09BDF75C4FAB_DF860BBAA2E6AC83_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCOCCNCC" | 21 | "6269CE3201B8511C" |
"3AD3864CE40EEAC6_5E00EA1E5D616747_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCC2=CSC=N2" | 21 | "6269CE3201B8511C" |
"1A6821A220C8C2E8_6CCBE6CF1B3B03DB_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC(CN)C2CCC2" | 21 | "6269CE3201B8511C" |
"95349D24A258881F_68A21BF1E6F1FCE0_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2=CSC=C2Br" | 21 | "6269CE3201B8511C" |
"457398A39FDD6190_403FB34D0BCF0ACD_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2(N(C)C)CCC2" | 21 | "6269CE3201B8511C" |
"238209BFAC773474_8F85A0480C27E34A_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CC=C(C=C2)I" | 21 | "6269CE3201B8511C" |
"91243F2F610241B8_E67AA8E9DDE51F6F_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC(C(C)C)C(C)C" | 21 | "6269CE3201B8511C" |
"4607F3353866299A_E2B8ED0B6B97B952_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2(CN(C)C)CC2" | 21 | "6269CE3201B8511C" |
"7A6F69DEF306EC6F_09501CCF0074F775_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=NC=N[N]2CC" | 21 | "6269CE3201B8511C" |
"26D1C3ADC0A53EFE_98F08FBEDE75D2C5_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2(CNCCC2)F" | 21 | "6269CE3201B8511C" |
"455381E4E281BF9B_CE116FBAA4299CA7_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2N(C)C(OC2)=O" | 21 | "6269CE3201B8511C" |
"C5570394165435FC_86180202CC49E55C_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2(OC)CCC2" | 21 | "6269CE3201B8511C" |
"80E26DB9CBC98835_3551A1B931FB8619_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2(N)CCCC2" | 21 | "6269CE3201B8511C" |
"0E92C591C4F9D835_181923378844202B_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=NC=NC(=C2)Cl" | 21 | "6269CE3201B8511C" |
"2718DAADF7B7D836_299F076E6E942F93_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCOC(C)(C)CN" | 21 | "6269CE3201B8511C" |
"9BF3FC6D1368B6E8_59F3D0A47CB5F1F6_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC3(C)CC2CC2C3" | 21 | "6269CE3201B8511C" |
"B4FA922F82E1F91B_621E3F92E8D581B0_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=N[N](C)C=C2Br" | 21 | "6269CE3201B8511C" |
"4E0E00132F06460A_7C07D62A55473906_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(N=N[N]2C)Br" | 21 | "6269CE3201B8511C" |
"304D363CD401CD9C_2555216AC20A7DCE_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC(N)C2CCCC2" | 21 | "6269CE3201B8511C" |
"A6D282C643A7840E_00F745E3763B11B7_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C[N](C)N=C2Cl" | 21 | "6269CE3201B8511C" |
"303DD8CF93F92149_582F0211F979DEBF_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC(N)C(F)(F)F" | 21 | "6269CE3201B8511C" |
"001B8B9D27D57CDD_2876008FDE3D66CE_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC(OC)(C)C2CC2" | 21 | "6269CE3201B8511C" |
"31887AAC79E26062_A724EF1B47212466_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC[N]2N=C(N=C2)Br" | 21 | "6269CE3201B8511C" |
"49933D5D563E3414_44AEB703C3299338_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=NC=C(N=C2)Br" | 21 | "6269CE3201B8511C" |
"337EAB0BF3065A3C_19E60A839FBE35E6_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CC=C(C=C2)Br" | 21 | "6269CE3201B8511C" |
"06F70505CDB716D9_210A5AE5CC2E475D_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC#C[Si](C)(C)C" | 21 | "6269CE3201B8511C" |
"21CB7733523AE8C8_2CB934F8A9A5D6DC_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2CCOC2=O" | 21 | "6269CE3201B8511C" |
"A8FF87C3B9E1BAEF_CBDA21060D3F903F_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCN(C)C2CCC2" | 21 | "6269CE3201B8511C" |
"79727E97D2BFB13C_E23CEA7DE670C068_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCC2=CON=C2" | 21 | "6269CE3201B8511C" |
"EBF963C5EB522191_FA577376A740E084_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(C)N=CC=C2" | 21 | "6269CE3201B8511C" |
"84DD1E75CF825541_9755E596983088CC_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(C(=NS2)Cl)Cl" | 21 | "6269CE3201B8511C" |
"4D9D7BB5E4C41CB7_940583CF6D078B55_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2CCOCC2" | 21 | "6269CE3201B8511C" |
"F72505AC5C4C4D05_87D591F686510DBC_6031_DP" | "COC(=O)N1CCCC(C1)C(=O)OCCC2CCCNC2" | 21 | "6269CE3201B8511C" |
"47A708D76B2D1456_C7F8EF4D118C4A09_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C[N](CC)N=C2" | 21 | "6269CE3201B8511C" |
"30480CED67F3789B_DFDAB2F53E26280B_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(C=N[N]2C)Cl" | 21 | "6269CE3201B8511C" |
"D94E8FA3EB904219_63CEA77FA80DEB48_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(C=N[N]2C)Br" | 21 | "6269CE3201B8511C" |
"432BE787B4A0DE47_29AEA487A62798A8_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(SN=C2C)C" | 21 | "6269CE3201B8511C" |
"43F9C7C4EF10A7D7_BD7588B485136CEA_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=N[N](C)C=C2Cl" | 21 | "6269CE3201B8511C" |
"3DF31240D4081791_1B86FF2F0F191602_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=N[N](CC)C=C2" | 21 | "6269CE3201B8511C" |
"494BCF4CA878F968_02BB55580B0CD47A_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2=CC(=NO2)Br" | 21 | "6269CE3201B8511C" |
"5658565BF2DB1A79_9ED1C4C540367995_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2CCNC2CC" | 21 | "6269CE3201B8511C" |
"67AF12BBE224AE84_2FD7BD07238237E2_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2CCCC2(F)F" | 21 | "6269CE3201B8511C" |
"CD4037B52FB64F0A_A94E1A2A02785570_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OC[CH]3C[C]2(C[CH2]C2)C3" | 21 | "6269CE3201B8511C" |
"8DEEF855A776A2E7_40A61B4E73D4E3F1_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCCCCC#C" | 21 | "6269CE3201B8511C" |
"72210BAE10526181_221F6168EE65FDF6_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC(C(CC)C)OC" | 21 | "6269CE3201B8511C" |
"AD14A86743D50553_D8D275B19BD0EB55_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCC(C)(C)CN" | 21 | "6269CE3201B8511C" |
"DC93E99D1DC6A5E7_84FE0F2476833E04_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CC(=CC=C2)Br" | 21 | "6269CE3201B8511C" |
"517B8119F66DD177_18639E773FFE2E73_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCCC(F)(F)F" | 21 | "6269CE3201B8511C" |
"A3BCD0D96D9A0280_1A1DE20734697C07_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(C)C=CC=C2" | 21 | "6269CE3201B8511C" |
"37CDC0E6FFED19B3_76ABEB424077C596_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2CCC(F)(F)C2" | 21 | "6269CE3201B8511C" |
"0E5C1C1CCF57D1C9_51D7B7CC7CB78254_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2(C)COCCN2" | 21 | "6269CE3201B8511C" |
"259E63DB6A8CF398_5472F25DA5D3C03D_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2NCC(C)(C)C2" | 21 | "6269CE3201B8511C" |
"952843A41B361F73_DA850AAFCA12380F_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCNC(C)C#N" | 21 | "6269CE3201B8511C" |
"2B518E165B86D800_94F43A4D7091896C_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2CC(OCC)C2" | 21 | "6269CE3201B8511C" |
"91055F43A19E8220_AA51ECC15CF245FA_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OC[C@@H]2C[C@H]2C(F)(F)F" | 21 | "6269CE3201B8511C" |
"C0A24CDD5AF3C024_DEF20FB435B79099_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2CN(C)C(O2)=O" | 21 | "6269CE3201B8511C" |
"109E55498D7D9836_4ED2B886EA537A85_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=N[N](CC)N=C2" | 21 | "6269CE3201B8511C" |
"F43E45584460438A_6D285C74B362105F_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2NC(=O)NC2=O" | 21 | "6269CE3201B8511C" |
"0C12EC0F167733AF_CF3F1B2D581E78A9_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2=CCCCC2" | 21 | "6269CE3201B8511C" |
"2BA31F209C0576F7_CE02C4417FDDE403_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2CC3CCC2O3" | 21 | "6269CE3201B8511C" |
"EF2B606D4B9003F8_91C997971C2580B2_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2=NC=N[N]2C" | 21 | "6269CE3201B8511C" |
"D793D84D15376A50_6E155E643B6A4BC1_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2CC3CC2C=C3" | 21 | "6269CE3201B8511C" |
"F936CE8E804423C3_0D1D4E841DD65343_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC(CC)C(=O)OC" | 21 | "6269CE3201B8511C" |
"BAC476E17B443F9F_8CA7A48729573869_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OC[C@@H]2C[C@H](OC)CN2" | 21 | "6269CE3201B8511C" |
"C7DD581AB7812F03_E272F1C22C8B9561_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2(COC)CCC2" | 21 | "6269CE3201B8511C" |
"4C7D668861551426_B0A4A4DCDA418DAA_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCOCCCOC" | 21 | "6269CE3201B8511C" |
"A940FEF397D42738_22C0FB98E6A7C533_6031_DP" | "COC(=O)N1CCCC(C1)C(=O)OCCCC2CCCN2" | 21 | "6269CE3201B8511C" |
"2829144201A025FD_1046C67FCA68394A_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CC=NC(=N2)C" | 21 | "6269CE3201B8511C" |
"0FCB1DBB89A5D8AE_E23BE1BB775D890E_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CN=C(CC)S2" | 21 | "6269CE3201B8511C" |
"4293967683839DA9_5A64F1BBAE1E702D_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2=C[N](C)N=C2" | 21 | "6269CE3201B8511C" |
"4EB36D68BCB44060_0D357B427248EC1B_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(C=CC=C2)Br" | 21 | "6269CE3201B8511C" |
"A5A0D67155A1F990_D76D8FF804781155_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2=CN=CC=C2" | 21 | "6269CE3201B8511C" |
"48E22B4025C8F15C_D7BF5A9603B947C5_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCNC(NCC)=O" | 21 | "6269CE3201B8511C" |
"6F34CBE3A7876935_970261B8932AC18F_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2CCNCC2" | 21 | "6269CE3201B8511C" |
"0B746DF5BC83EB55_CB7423DE7D192D78_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2CC(F)(F)C2" | 21 | "6269CE3201B8511C" |
"6C55ECF6B417E1F8_21A56D5819898FCD_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(SC(=C2)Cl)Cl" | 21 | "6269CE3201B8511C" |
"399674A76A419679_6C522E2FD8632964_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCC2=C[NH]N=C2" | 21 | "6269CE3201B8511C" |
"A314DACC4E00A015_33E2F6F91A2E3577_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2(S)CCCCC2" | 21 | "6269CE3201B8511C" |
"838235543FAC9E3A_1A3000214533AD58_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CN=N[N]2CC" | 21 | "6269CE3201B8511C" |
"CB84CBA6442CF1C4_9303F038A1F3B3AC_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CC=N[N]2CC" | 21 | "6269CE3201B8511C" |
"E13439273E3B25C9_9D3C6C75B87B79D8_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC(C(OC)=O)(C)N" | 21 | "6269CE3201B8511C" |
"A4EB659F9309E73E_82DFE2D00C74FF01_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCOC(C(C)=C)=O" | 21 | "6269CE3201B8511C" |
"1E94A02853548C58_AABAC74B532E318F_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2(NC)CCCC2" | 21 | "6269CE3201B8511C" |
"4B8847792D24358D_C0770DA2D4FE1A84_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2OCCN(C)C2" | 21 | "6269CE3201B8511C" |
"992339B57D5FFDDD_9380AD46BB338B39_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=NC=C(C)C=C2" | 21 | "6269CE3201B8511C" |
"3F7C268DA09A3D71_C10E7135B9F9C361_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CC(=NO2)OC" | 21 | "6269CE3201B8511C" |
"1C91535C936B2FD5_51A26EBA25CFB358_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCC2CCNC2" | 21 | "6269CE3201B8511C" |
"25384C28EDBBE810_2B6D48639D82E54F_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=CN=CC(=N2)N" | 21 | "6269CE3201B8511C" |
"7DE8D2770C0B8F8A_24633C69E1EAA6B8_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=NC=CC(=C2)C" | 21 | "6269CE3201B8511C" |
"717A03DC93E2AA5D_F29BFC6CBCF6F339_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(C=NC=C2)F" | 21 | "6269CE3201B8511C" |
"C0168BB605AC4C4C_CA11EDE5FEE4FA90_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2=C(C)SC(=C2)C" | 21 | "6269CE3201B8511C" |
"56C9A1877848D05E_1E17530C7DAE8D03_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCOC(N(C)C)=O" | 21 | "6269CE3201B8511C" |
"342D971E0D981A30_536EBA61D1D9A04F_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCOCC2CCC2" | 21 | "6269CE3201B8511C" |
"98CD69EE5A8BAA50_872346EAF6F818FE_6031_DP" | "COC(=O)N1CCCC(C1)C(=O)OCC2(CCNCC2)N" | 21 | "6269CE3201B8511C" |
"D95BB3B99F55DCE1_4920C8BFCB44C4FF_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2(C)CC2(F)Cl" | 21 | "6269CE3201B8511C" |
"4456A1EF5765EBB1_573481D80F2001D6_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC2CCCNC2C" | 21 | "6269CE3201B8511C" |
"60C96B507345C725_15493594D8521E8D_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCC(OC)CC(C)C" | 21 | "6269CE3201B8511C" |
"B8A7E7B2543E1C10_604D98493B8FCBFB_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCCCCC(C)C" | 21 | "6269CE3201B8511C" |
"599D5225A8493172_793F7C61A6E4095A_6031_UN" | "COC(=O)N1CCCC(C1)C(=O)OCCC2=CSC(=N2)C" | 21 | "6269CE3201B8511C" |
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