product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"8640E24681F83705_19ACD5CC96EBA1FB_6031_UN" | "CC(CC(=O)OCC1=C(C)N=C(S1)Cl)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"C429110B2E6420E7_0601E20DE4FE1796_6031_UN" | "CC(CC(=O)OCCCOC1CCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"C605BF22E7152FE7_3AE57AE5DAB7D7F1_6031_UN" | "CC(CC(=O)OCC1(C(C)C)COC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"53F75D82F3FC966A_A8048C75CA56F919_6031_UN" | "CC(CC(=O)OCC1CC2CCCC12)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"A720ADD760662D6A_18825F2D5109FC77_6031_UN" | "CC(CC(=O)OCC1=C[NH]N=C1CC)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"7F4DC904C2BD29F8_B27B65D7B4A03FA0_6031_UN" | "CC(CC(=O)OCC1(C)CCCCO1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"26875FD658921006_070E81CC5DC7C3DB_6031_UN" | "CC(CC(=O)OCC1=C[NH]C(=N1)CC)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"4E9CB8682529D22B_144D2B6789B903A0_6031_UN" | "CC(CC(=O)OCC1=CN=C[N]1CC)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"34B635DFCEC47105_DC874C874588B984_6031_UN" | "CC(CC(=O)OCC1=NOC(=C1)CC)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"8FEE81F772ADDF36_E20657A77ACE7166_6031_UN" | "CC(CC(=O)OCC1=CC(=NC=C1)Br)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"289D90DEA9052A6B_2153AB36895F6942_6031_UN" | "CC(CC(=O)OCCCCC(C)(C)C)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"0DC6EA2C2230A9D4_0023D4A274939B1A_6031_UN" | "CC(CC(=O)OCC(OC)(OC)OC)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"AE96901CA7B6B911_889465D824B1D752_6031_DP" | "CC(CC(=O)OCC1(OC)CCNC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"259801B6410237C7_E4946DA16BE1BDF8_6031_UN" | "CC(CC(=O)OCC1=CC(=CC=C1)I)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"FBD9C4BC6312FC7B_39CBCF6AB6AF2872_6031_UN" | "CC(CC(=O)OCC1=CC=C(C#N)O1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"53A5F848BF508366_32F54884DA690B09_6031_UN" | "CC(CC(=O)OCC1=NN=C(C)C=C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"DD9C3BBC699E609B_F506254FC203E0E9_6031_UN" | "CC(CC(=O)OCC12CCC(CN1)C2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"A60E9FBF345DD637_EC05D9C9155BA2B5_6031_UN" | "CC(CC(=O)OCC1=C(C)C=N[N]1C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"8A167BBB4CB6E870_2B813DFABB62B162_6031_UN" | "CC(CC(=O)OCCC1=CC=C[N]1C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"B952765433468784_F97DD9C6C16912E5_6031_UN" | "CC(CC(=O)OCCC1=C(C)C=CS1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"6745E3EA5EBA5F13_C9BCB57854A0F74C_6031_UN" | "CC(CC(=O)OCC1=C(C)[N](N=N1)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"778B90D9CD47AF99_8E21BE8CEA9DC746_6031_UN" | "CC(CC(=O)OCC(C(C)(C)C)CN)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"3D3AC32DD1868B96_C964EED9400CA081_6031_UN" | "CC(CC(=O)OCC1CCCC1(C)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"B95F7233094D2F9C_7EE4FF91C0095DF2_6031_UN" | "CC(CC(=O)OC[C@@H]1C[C@H](N)CCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"0F37D6888E3C9239_F87F769E85CD8F09_6031_UN" | "CC(CC(=O)OCCCCCCCN)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"D141264A928FC01A_A5BB3AE9CDF47DAF_6031_UN" | "CC(CC(=O)OCCC(F)(F)C(F)F)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"E42BD04B4818FDD7_0BBEE86346FF79F2_6031_UN" | "CC(CC(=O)OC[C@@]12[C@@H](C1)CCCN2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"64CCDD29701DB772_DB98BAA058AA5F83_6031_UN" | "CC(CC(=O)OCC12CCC1CCN2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"EFBBDE1C52252DCA_EBDB330D51AADE5E_6031_UN" | "CC(CC(=O)OCCCC1CCCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"52A9FA76AE932719_98582DA2BB607936_6031_UN" | "CC(CC(=O)OCCC[N]1C=NC=N1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"277EC0D84E3EF953_A54E19DB4005F5B3_6031_UN" | "CC(CC(=O)OCCC(CC(C)C)N)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"1233DAFCC9ADDA65_8AB5BDA44637CE14_6031_UN" | "CC(CC(=O)OC[C@H]1CC[C@@H](CN)O1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"03F05228AE9F52A4_547EFDFE979CD1BC_6031_UN" | "CC(CC(=O)OCC1=C[N](C)N=C1I)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"B1B374BAE10454FB_13E1FEEE2ECFAFF3_6031_UN" | "CC(CC(=O)OCCC1=CN=C(C)S1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"121222F3B5AB1C1D_17FE1A049C61F99E_6031_UN" | "CC(CC(=O)OCCC[C@H]1NCCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"BF4A8CD28EEE07A7_BBF756F209D4F04C_6031_DP" | "CC(CC(=O)OCCN1CCNCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"30E80CF6DF92030E_2364B36C2CA1462C_6031_UN" | "CC(CC(=O)OCCC[C@@H]1NCCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"58F0A1941FEDD490_D6A40F8FFF3C12FE_6031_UN" | "CC(CC(=O)OCC(C(OCC)=O)N)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"A77C92FBBC777235_A7646A5098A91439_6031_UN" | "CC(CC(=O)OCC1=C(N)C=NC=C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"6E552AB9AEF90EDF_98B4B77CEF5A2FB6_6031_UN" | "CC(CC(=O)OCCN1CCC(C)C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"578E98A51952FA6E_F208FF24CE375517_6031_UN" | "CC(CC(=O)OCC1=CN=C(C=C1)Cl)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"3C9DA73BF52BFE39_08780CB3E363EA39_6031_UN" | "CC(CC(=O)OCC1(N)CCOCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"B0CB436C484F664C_C6F72AC686B9407A_6031_UN" | "CC(CC(=O)OCC(CC)C(C)(F)F)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"290A93E4D8AAB55B_4C1519C41910F01A_6031_UN" | "CC(CC(=O)OCCC1=C[N](C)C=N1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"DE4F1B87665A8932_037925BB7411F7D2_6031_UN" | "CC(CC(=O)OCC1=C(C=CC=N1)F)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"E71608BEC9F6239E_EE18AA8FA0745827_6031_UN" | "CC(CC(=O)OCCC1=CC=C(Br)S1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"C30FC8B696FFFCF2_51C32EEDF9EA3EDE_6031_UN" | "CC(CC(=O)OC[C@H]2C[C@@H]1NC[C@@H]1C2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"A71E2AB550BA289B_9EBF2950F587BD1B_6031_UN" | "CC(CC(=O)OCC1=CCN(C)CC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"80A5E14340D5B929_FA2880F0BF55236C_6031_DP" | "CC(CC(=O)OCC1=C(CN)OC=N1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"C354452B307ED8BA_435538509644CEAD_6031_UN" | "CC(CC(=O)OCC12COC(CN1)C2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"DD74333258D6C32A_4C03D6F022421E4D_6031_UN" | "CC(CC(=O)OCC1=CC(=NO1)CC)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"2F98B802BD313B88_946C1185C85E8EF8_6031_UN" | "CC(CC(=O)OCC1=NOC(=N1)CC)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"B340DAD58B7905BA_08F573D41A2F20B3_6031_UN" | "CC(CC(=O)OCCC1CCCOC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"449D9C4A73F37E6C_B803B405404380AA_6031_UN" | "CC(CC(=O)OCCC1=CSC(=N1)N)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"6F86321450BFE99D_EFA856E4C642504E_6031_UN" | "CC(CC(=O)OCCC1=NC=NC=C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"985D12A25FA66670_7FC315ABB65DF379_6031_UN" | "CC(CC(=O)OCC12CC(C)(C1)CO2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"4801D6DC6E42D0C4_061AF0F5FC4957AD_6031_UN" | "CC(CC(=O)OCC(N)CC1CCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"D52DA9B4C667738D_F7F7E81D9592B1EF_6031_UN" | "CC(CC(=O)OCC1CCCCCN1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"1CFC1FAEAEA781B6_72BABAB0AA62ABC6_6031_UN" | "CC(CC(=O)OCC1=C(C)C=NC=C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"3569A72BEB684DD9_5975350695EB14BF_6031_UN" | "CC(CC(=O)OCC1NC2CC1C=C2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"6868A31DA8C58ADD_1C6975FBB761EB1C_6031_UN" | "CC(CC(=O)OCC(CCOC)(C)C)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"F8796D8FF12ADF85_1608B9ADFDBD6C91_6031_UN" | "CC(CC(=O)OCC(CC)(CC)C#N)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"855FBDD56ABC9FCC_06F97D18383B4C44_6031_UN" | "CC(CC(=O)OCCC1=CSC(=N1)Br)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"1F6DF79AF388B710_0281E2507D2D249F_6031_UN" | "CC(CC(=O)OCC1=C(C)N=N[N]1C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"2647DD2692DD01BB_588CC27A44F44495_6031_UN" | "CC(CC(=O)OCCCCCN=[N]#N)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"1D34752A07C3C0AA_EB3E49673DD367A3_6031_UN" | "CC(CC(=O)OCC[S](CCC)(=O)=O)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"AC159C3A3ADD235D_8CBFFB3E82CF4551_6031_DP" | "CC(CC(=O)OCCC1CCCCN1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"4AE34F84947812DF_CAAA8D9FEF35D45C_6031_UN" | "CC(CC(=O)OCC(C)(C)C(C)(F)F)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"BCFEBDFDE58617DF_63BC617B44BFF8EA_6031_UN" | "CC(CC(=O)OCC1CCNC1(C)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"7C89D36137275C16_B96E7C0BA184EE03_6031_UN" | "CC(CC(=O)OCC1(N)CCSCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"1C4C200CB20CF396_4647BBCE89593B66_6031_UN" | "CC(CC(=O)OCC1(C(C)CNC1)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"E86506A942140D52_D05DCDE398FDFEF7_6031_UN" | "CC(CC(=O)OCC1CCSC1(C)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"72F35024802812E0_FDC56E7599287F60_6031_UN" | "CC(CC(=O)OCCC1=CC=NC=C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"0E3B81E3D1BBFE07_A46CEC292DADB380_6031_UN" | "CC(CC(=O)OCC(C)(C)C(F)(F)F)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"AA0872B98BF2C2FC_B3631415BB797CF0_6031_UN" | "CC(CC(=O)OCCC[N]1C=CN=C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"AE96901CA7B6B911_A7ECC9851DC325B3_6031_UN" | "CC(CC(=O)OCC1(OC)CNCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"EB5B3A9D0C59B9E5_96C30273BD7B22B9_6031_UN" | "CC(CC(=O)OCC1=CC=NC(=N1)N)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"6F605DE492C9357F_6093F46DB108466D_6031_UN" | "CC(CC(=O)OCC1=CC=C(CC)S1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"70C618E5BC9A3223_694EB8536D09723B_6031_UN" | "CC(CC(=O)OCCCC(CC)CC)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"E6ED9CE0BEB41565_6F2AF69F352ACB63_6031_UN" | "CC(CC(=O)OC[C@H]2[C@@H]1CNC[C@@H]1C2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"C5F7A575E2A2DD5D_030A58D7BDB9F691_6031_UN" | "CC(CC(=O)OCCN1CC(CC)C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"1B67F2D6B578A50F_EC881E93298FA7A6_6031_UN" | "CC(CC(=O)OCC1=NOC(=C1I)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"8F768B1908645057_09BE424332B929D7_6031_UN" | "CC(CC(=O)OCC1=CC=CC(=N1)N)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"34CF684D71432B6F_31260F8A8FB5BEA1_6031_UN" | "CC(CC(=O)OC[C@H]2[C@H]1CNC[C@H]1C2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"AEAEA3CDC95702E1_A8E1DA88DC53A2C4_6031_UN" | "CC(CC(=O)OC[CH]1CC[C](=[CH2])CC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"3D6582B9F84F6CEC_1388FC89BD2540B1_6031_UN" | "CC(CC(=O)OCC1COCCCO1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"6D6BC8D873C6DB58_C01A95E4BD372465_6031_UN" | "CC(CC(=O)OCC1(C(C)(F)F)CC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"919870D272F9FE3A_00BB5C3D2AC19475_6031_UN" | "CC(CC(=O)OCC1CCCCCO1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"E255BE8CE27B08EF_954F646CB24B5F56_6031_UN" | "CC(CC(=O)OCC1=NC(=CC=C1)F)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"F9C85CA2686B50DA_43873D4CBD08D7B3_6031_UN" | "CC(CC(=O)OC1=C(C(NN=C1)=O)Cl)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"9017546F52E0ACD3_7BA5691996610A01_6031_UN" | "CC(CC(=O)OCCC1=CC(=CS1)Br)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"101677E6C3542807_8C80B5F5DC910963_6031_UN" | "CC(CC(=O)OCC12CC(C1)CCO2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"8CFAFB472BD8944E_4203FE6DA1CD224C_6031_DP" | "CC(CC(=O)OCC=C1CCNCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"212E665B5AC00E7E_C3B1E086579E88D2_6031_UN" | "CC(CC(=O)OCC1C2CCC(N1)C2)C3=C(C=CC=C3)F" | 21 | "6AACA0BD498C39D5" |
"2FEC3EF23ED455E4_35ACF693FA716A34_6031_UN" | "CC(CC(=O)OC[C@@H](N)C1=N[NH]C=N1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"2D6937DBF156BF60_D81561F3A499B61E_6031_UN" | "CC(CC(=O)OCC1(CC(C)(C)C1)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"EC6C6E08541765CB_97336450370F0D5B_6031_UN" | "CC(CC(=O)OCC1(C)C[S](=O)(=O)C1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"0BE1844A1DA1ED1D_3DB0C04643604B3A_6031_UN" | "CC(CC(=O)OCC1=CN=C([N]1C)Br)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"99AE0C4F11AA6225_BA99A28F6BAF19C9_6031_UN" | "CC(CC(=O)OCC1=NC(=C[N]1C)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"D274F5AD49E2A042_5B29D4AA6811421C_6031_UN" | "CC(CC(=O)OC[C@@H]1C[C@@H]1C(F)(F)F)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.