product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"2A3F5690FC25B893_3CC909D8C2AC9ECB_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(N=C(OC)S1)Cl" | 21 | "B3C46C7AB0B599A5" |
"13470410C2AB14C0_42E492DC3FFEEBA2_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC(CCCCCC)C" | 21 | "B3C46C7AB0B599A5" |
"B35565E4D618DB84_FDF77F95A5C6CFF4_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(N=C(C=C1)F)Br" | 21 | "B3C46C7AB0B599A5" |
"6F23F24472A45AA5_66FA58A89AADACCE_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC12CCC(CC1)CC2" | 21 | "B3C46C7AB0B599A5" |
"B1737BDB4C2B60C4_A0F07AC60BF72A9D_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1(N)CCSCC1" | 21 | "B3C46C7AB0B599A5" |
"DAA42A42D49BC9FE_78FAAFB6CCA797A7_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCNC1=CC=CC=C1" | 21 | "B3C46C7AB0B599A5" |
"43D58ED78AD09101_67259F7687578E7C_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OC[C@]12CCC[C@H]1NCC2" | 21 | "B3C46C7AB0B599A5" |
"167DD2BD443DBC9D_46BF67CB0417B232_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OC[C@@H]1C[C@H](CN)CCC1" | 21 | "B3C46C7AB0B599A5" |
"BA69A116EF6A9BA0_5C0A379470699100_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC(ON)C1CCCC1" | 21 | "B3C46C7AB0B599A5" |
"A001860B40592F5F_E4EEDDFA29A9726B_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1N(C)C(CCC1)=O" | 21 | "B3C46C7AB0B599A5" |
"4245392ED3074996_F3E63B52802137B6_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCCCC(F)(F)F" | 21 | "B3C46C7AB0B599A5" |
"C56AA16C2A2F9046_BAA38D7D5AC3048A_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC(N)CC1OCCO1" | 21 | "B3C46C7AB0B599A5" |
"4275EDDF5AF52E6E_03239AF5C23D807A_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(C=CC(=C1)Br)Cl" | 21 | "B3C46C7AB0B599A5" |
"455538C2E95ADE60_62E1D303F4CFD024_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCOC1=NC=CC=C1" | 21 | "B3C46C7AB0B599A5" |
"BC7E915A0C6EDCAD_62812659F15AC8CC_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC(N)CC1CCCO1" | 21 | "B3C46C7AB0B599A5" |
"696F58C23FEAF168_D0406B726000AC37_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=NC(=CC(=C1)C)C" | 21 | "B3C46C7AB0B599A5" |
"A9150DB7E8A1E8CF_1F7D617C5DF3A4F1_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCOC1=CC=CC=C1" | 21 | "B3C46C7AB0B599A5" |
"005A2D6D3B204FF6_CF2D047E2BF1653C_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCCCCCCC" | 21 | "B3C46C7AB0B599A5" |
"50F27039E04C441A_DF56112BC49F8805_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCNC1=NN=C(N)[NH]1" | 21 | "B3C46C7AB0B599A5" |
"517F313F4CBAC734_0AD37686A8A9ECFE_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCC1=CN=CC=C1" | 21 | "B3C46C7AB0B599A5" |
"B52EDD9704F3094A_F9B69110016FCD1C_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=C(OC)C=C1" | 21 | "B3C46C7AB0B599A5" |
"29139EB6AECD14DF_3FBFE32E023F3B95_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(N)C=CC(=C1)Br" | 21 | "B3C46C7AB0B599A5" |
"D9E679FACFFBCF8F_6E71B184D4CCC263_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCC1CCCCC1" | 21 | "B3C46C7AB0B599A5" |
"833AF3B376D45293_BFC2DF492BAEAD3C_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC(=C1)OC" | 21 | "B3C46C7AB0B599A5" |
"0DC8EE60FFAB8CA3_D48C0DAF51595A57_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCC1=CC=NC=C1" | 21 | "B3C46C7AB0B599A5" |
"DF37F9948E8B7EA0_E96B94671FC7C81B_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCC1=CC=CC=C1" | 21 | "B3C46C7AB0B599A5" |
"D70347FA8B432C66_70F6EC6D8B6AA02D_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1CC1(C2(C)CC2)C" | 21 | "B3C46C7AB0B599A5" |
"E8971C50A160E2C0_454F55848E2B7F52_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC(N)C1CCCC1" | 21 | "B3C46C7AB0B599A5" |
"79013F9D06DBF193_1A5ADBCDCC6DFE4F_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1C[C@H](C)O[C@@H](C1)C" | 21 | "B3C46C7AB0B599A5" |
"6E33B25B59907195_24F072C3186C1691_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C[N](N=C1)CCF" | 21 | "B3C46C7AB0B599A5" |
"3449B7459F9D3634_2AB0DC1BE97640AE_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OC[C@H]1C2[C@H](N)CC(C1)C2" | 21 | "B3C46C7AB0B599A5" |
"A778A3E8FE3181B8_A09A8CCACE3926EA_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC[N]1N=CC(=C1N)I" | 21 | "B3C46C7AB0B599A5" |
"E3B0E346419A7E2D_EF42841662B51AE3_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(CC)ON=C1C" | 21 | "B3C46C7AB0B599A5" |
"20F97D31F87690CB_66B774DD4B56F638_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1=C(N=C(C)S1)C" | 21 | "B3C46C7AB0B599A5" |
"E8892A4BB5366B49_830E687F9A19E413_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC[C@@H]1CC[C@@H](N)CC1" | 21 | "B3C46C7AB0B599A5" |
"BA69A116EF6A9BA0_EE9AF277A4495D7C_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC(ON)C1CCCC1" | 21 | "B3C46C7AB0B599A5" |
"3F7B4EA10BDB92A9_BA74A8A6BC01A034_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=NC=C(C(C)C)O1" | 21 | "B3C46C7AB0B599A5" |
"7B1A8499D1798015_2648C5FF886B53C1_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1CC2CC1C3CC23" | 21 | "B3C46C7AB0B599A5" |
"A676368A576A7AD1_F66A5438764D3743_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1(CCC#C)N=N1" | 21 | "B3C46C7AB0B599A5" |
"709769ACD8FF4810_536958BBF320A7B0_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1CCCC1(F)F" | 21 | "B3C46C7AB0B599A5" |
"3AD8DB069997DA08_2B90F280AA00BF73_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC(C)C1CCOCC1" | 21 | "B3C46C7AB0B599A5" |
"0B399CFB1B7F3D0F_FC3FC350457753D5_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(C=C(C=C1)Br)Cl" | 21 | "B3C46C7AB0B599A5" |
"4A701B662913C483_34A8EBFABDEFD183_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC[N]1N=C(C=C1C)N" | 21 | "B3C46C7AB0B599A5" |
"86AC6383E4EF7400_4D4C44C3C3AE85BF_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCN(C)CC(F)F" | 21 | "B3C46C7AB0B599A5" |
"6F8DAA16BA50B790_16785A66EE1BDE97_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=CON=C1C2CC2" | 21 | "B3C46C7AB0B599A5" |
"382F8CBF8C0C4F23_5E3CF9C9F6D711FC_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=N[N](C(=C1C)Br)C" | 21 | "B3C46C7AB0B599A5" |
"C844703FB4FB14CE_D270E6374C266E12_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C[N](N=C1OC)C" | 21 | "B3C46C7AB0B599A5" |
"225B6980D5C29C71_03DC465E88C111E6_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCN1CCC(F)C1" | 21 | "B3C46C7AB0B599A5" |
"660E1548C76A284C_FEA05D0FA70D52AA_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1CCCC=CCC1" | 21 | "B3C46C7AB0B599A5" |
"219590AF7536203E_F66AB040547A4FE6_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC12CC(CN)(C1)OC2" | 21 | "B3C46C7AB0B599A5" |
"DCF2AF2D26DD8BBA_AF31108D73AAF8AB_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1=C(C)NNC1=O" | 21 | "B3C46C7AB0B599A5" |
"97E663179A796E49_17F468F70992EE4C_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC2C[C@H]1CC(N)[C@H]1C2" | 21 | "B3C46C7AB0B599A5" |
"A5B775086A5651C4_90AE62B9B93F477E_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(CCN)OC=N1" | 21 | "B3C46C7AB0B599A5" |
"0C01932CF31D3E4D_49E41B9D70D8133A_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=CC(=NC(=C1)Br)Br" | 21 | "B3C46C7AB0B599A5" |
"94552B179690F3DF_D7FA54DD54303948_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(C(C)C)OC=N1" | 21 | "B3C46C7AB0B599A5" |
"7F427437086E2445_F5C3326599FA12EE_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=C(CN)C=C1" | 21 | "B3C46C7AB0B599A5" |
"9F6B26339900AA7A_F0ED90E0F6A125D9_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=NOC(=N1)C2CC2" | 21 | "B3C46C7AB0B599A5" |
"703CC024EE273EF6_09E6E9C4EBA8E8E4_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC2=CC1CCC(N1)C2" | 21 | "B3C46C7AB0B599A5" |
"5BE638B4E0373754_43A4C21B1B3E1CE8_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCOC1(CN)CCC1" | 21 | "B3C46C7AB0B599A5" |
"6AEDB5B88F60FE02_100A660CEE86129E_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC[C@H]1CCC[C@@H](C)N1" | 21 | "B3C46C7AB0B599A5" |
"C82AD680195F1C76_673790FF7321B334_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC(C(C(C)C)N)(C)C" | 21 | "B3C46C7AB0B599A5" |
"C6E3AFD088955F08_F15383A28DD1CB41_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC2C[C@H]1C[C@@H](N)[C@H]1C2" | 21 | "B3C46C7AB0B599A5" |
"9FBB5140FF691B43_B03D3753EB70436F_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OC[C@@H](N)CC1=C[NH]C=N1" | 21 | "B3C46C7AB0B599A5" |
"D70922C42102B124_520D2516B52F2A6D_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=NN=C[N]1C(C)C" | 21 | "B3C46C7AB0B599A5" |
"997F443C7DDF7B56_A9F88E076D2D06B7_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCSSCC(OC)=O" | 21 | "B3C46C7AB0B599A5" |
"C708878D7E334678_4E2B7DB8B7593691_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1CNCCC1(C)C" | 21 | "B3C46C7AB0B599A5" |
"508BBACD2A1B92F0_2BD51C744F2F8624_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OC1=COC(=CC1=O)CN" | 21 | "B3C46C7AB0B599A5" |
"AE39AA0B4015EBAE_C37877DC35A6AE8B_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=NC=CC(=C1)C#N" | 21 | "B3C46C7AB0B599A5" |
"19A44CE99F4D0C53_C698ED3F2E903428_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC(N)CC1=NC=CS1" | 21 | "B3C46C7AB0B599A5" |
"E1C75E23D2E1C6FB_D0BB01911FA9E793_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=CC(=C(C=C1)Cl)F" | 21 | "B3C46C7AB0B599A5" |
"F19B19648B99EEA8_822C1DD1F8699CC8_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1CNCC12CNC2" | 21 | "B3C46C7AB0B599A5" |
"764F52CAA3ED8FEF_A0B05F499257A9C0_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=NOC(=C1)COC" | 21 | "B3C46C7AB0B599A5" |
"0BFC3D0D6A0BCB8B_6EFDE876AE6D3EF5_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCN1C(=O)CCC1=O" | 21 | "B3C46C7AB0B599A5" |
"F4FD73BC2CCCA4EB_8E10CE78C127455E_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C([N](CC)N=N1)C" | 21 | "B3C46C7AB0B599A5" |
"FEE5E5BCFBF2674E_456B83DDF28F4BD9_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1COCC(C)(C)O1" | 21 | "B3C46C7AB0B599A5" |
"7A2A57855BFC3EF9_D9AE7AC166047FD2_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1C(CNCC1)(F)F" | 21 | "B3C46C7AB0B599A5" |
"09A07E9F87AFE853_7FE737C8FF351DAD_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1CC2CCC(C1)N2" | 21 | "B3C46C7AB0B599A5" |
"50A4F201104C2899_EF53D8B700CB9C35_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(C=C(C=C1)Br)Br" | 21 | "B3C46C7AB0B599A5" |
"94A4BC37958C3EE0_9A09F2B7CAAA203D_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1=C(C=CC=C1)Cl" | 21 | "B3C46C7AB0B599A5" |
"19EBD0497D8DF17A_9EBB5A9C81B97EEA_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=NC(=C(C)C=C1)F" | 21 | "B3C46C7AB0B599A5" |
"3F22FFC0817236B8_7A0BC63AAC1EF5E4_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(C(=CC=C1)Br)Br" | 21 | "B3C46C7AB0B599A5" |
"3ED1D286EBAE5340_E70D19C52F8C2530_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1=C(C)C=CC=C1" | 21 | "B3C46C7AB0B599A5" |
"F07B2375C237D8BB_B5C57C3A039B33AB_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC(CC(C)(C)C)N" | 21 | "B3C46C7AB0B599A5" |
"894320ECE8CBA616_EE8097C7A0E464DA_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1CNC(C1)(C)C" | 21 | "B3C46C7AB0B599A5" |
"FD484B31A32D131B_35152BE4B1A2416A_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1=CC(=CN=C1)Br" | 21 | "B3C46C7AB0B599A5" |
"81BC871B3D648A01_EFFD6EB4EA7E1337_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC12CC(CO1)CCC2" | 21 | "B3C46C7AB0B599A5" |
"081986AA0D71F3B5_907A27334925AB1E_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1C(F)(F)C12CCC2" | 21 | "B3C46C7AB0B599A5" |
"9DDB74F9694087E7_0AAC7C9C67367688_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC(C)(N)C(F)(F)F" | 21 | "B3C46C7AB0B599A5" |
"BE2C25C8F991502A_31E32DF1D78636DE_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1=C(C=NC=C1)F" | 21 | "B3C46C7AB0B599A5" |
"CA2E095A750D5FB2_BA9BE9A872245012_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCCC1CCCC1" | 21 | "B3C46C7AB0B599A5" |
"6E270244E04182A3_138B2469DCD67E7A_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1CCCCN1C" | 21 | "B3C46C7AB0B599A5" |
"8B91324A8FF93294_1464E9E8C37405D4_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=C(N=C(C)N=C1)C" | 21 | "B3C46C7AB0B599A5" |
"96DBBE0C09011C22_9B80EB1E09F2C02F_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1(COC)CCCO1" | 21 | "B3C46C7AB0B599A5" |
"011371E98EFEED93_9DC9AD08F7A16D88_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1(CC)CCCN1C" | 21 | "B3C46C7AB0B599A5" |
"1D9A9A7C801DC5F9_6F6F82CC23111576_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1(NC)CCSCC1" | 21 | "B3C46C7AB0B599A5" |
"7C314CAA9326B5CE_84E6222AA9CD3BFE_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1(CC)CCOCC1" | 21 | "B3C46C7AB0B599A5" |
"08332E9D51A68C97_FB898DA399BB08E9_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCC1=CC(=C(C=C1)Cl)C" | 21 | "B3C46C7AB0B599A5" |
"3722F562AE95FC82_D4643695930F9E62_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCN1CCNCC1" | 21 | "B3C46C7AB0B599A5" |
"20E0C9A98E541C95_1E3E48EA8F4419D2_6031_DP" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCC1CCCNCC1" | 21 | "B3C46C7AB0B599A5" |
"3DFE4035264171CC_EEDB7A37BBE938C5_6031_UN" | "COC(=O)N[C@@H](C(C)C)C(=O)OCCCCC1CCCO1" | 21 | "B3C46C7AB0B599A5" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.