product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"93A804949173ECBA_20AD826AB46F936E_6031_UN" | "COC(=O)NCCC(=O)OCCN1CCCC2NCCC12" | 21 | "E07D3189366F383E" |
"13E5A0B9E8769930_C243B4B397F43077_6031_UN" | "COC(=O)NCCC(=O)OCC1(CCNCC1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"0099934D6E6F0067_EF6F9AD481775902_6031_UN" | "COC(=O)NCCC(=O)OCC1=CSC(=N1)C2OCCO2" | 21 | "E07D3189366F383E" |
"BA7F05CF651E0713_9031A9D6F4A49D03_6031_UN" | "COC(=O)NCCC(=O)OCC(CCCCCCCC)N" | 21 | "E07D3189366F383E" |
"D9D2F72B4CC66A06_23BAA08F269F07E8_6031_UN" | "COC(=O)NCCC(=O)OCC12N(CCNC1)CCOC2" | 21 | "E07D3189366F383E" |
"7086F15BFD0BEFF0_600E5CAB7E2921CF_6031_UN" | "COC(=O)NCCC(=O)OCC1CCN1C2CCOCC2" | 21 | "E07D3189366F383E" |
"E0C79EFC98AD8DBA_8FCB0AF423CA2DC9_6031_UN" | "COC(=O)NCCC(=O)OCC(F)(F)C1=CC=C(C=C1)F" | 21 | "E07D3189366F383E" |
"7DAAA66E6DC0A717_8C437779AC2B32EB_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=CC(=C1)C(OC)=O" | 21 | "E07D3189366F383E" |
"DF669105CC14528D_53289379FC04C6E9_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=C(OC)C=C1)OC" | 21 | "E07D3189366F383E" |
"52E4AF56C2F5CF29_D54771DB7A553914_6031_UN" | "COC(=O)NCCC(=O)OCC1(CCC1)C2CCCCO2" | 21 | "E07D3189366F383E" |
"AF7667D5FDC0EC26_C21878C55495A6F1_6031_UN" | "COC(=O)NCCC(=O)OCC1CC2CCC(C1)[S]2(=O)=O" | 21 | "E07D3189366F383E" |
"7917D23C720AB5E4_DF8CDA6500991A87_6031_DP" | "COC(=O)NCCC(=O)OCC1CCC2(CN1)CCCC2" | 21 | "E07D3189366F383E" |
"59324A84186070CA_699AD5E94DA9D5D6_6031_UN" | "COC(=O)NCCC(=O)OCCC1=CC2=C(C=C1)OCO2" | 21 | "E07D3189366F383E" |
"7B08540EDA38D0C2_9FBB03713B6249E7_6031_UN" | "COC(=O)NCCC(=O)OCC(C)(N)C1=CC(=CC=C1)Br" | 21 | "E07D3189366F383E" |
"4DE82C753D3492C8_290766799AD16685_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=NN=C1C2CC2)C" | 21 | "E07D3189366F383E" |
"ED67E1A8DAEFD47A_7E94AF5A45BE4203_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(CC(C)C)C=CC=C1" | 21 | "E07D3189366F383E" |
"080EB751773E6779_C416A913C854F007_6031_UN" | "COC(=O)NCCC(=O)OCCOC1CC[S](=O)(=O)CC1" | 21 | "E07D3189366F383E" |
"992E1D1684D6072D_2AADCE9BD39A2484_6031_DP" | "COC(=O)NCCC(=O)OCC1CNCC12CCNCC2" | 21 | "E07D3189366F383E" |
"E700B760D8BA1AB6_C4FAE4153852B3B7_6031_UN" | "COC(=O)NCCC(=O)OCCOC1(CN)CCCCC1" | 21 | "E07D3189366F383E" |
"FF2509AB445AF33D_68DA01D195CB93CA_6031_UN" | "COC(=O)NCCC(=O)OCC2CCOC1(CCCC1)C2" | 21 | "E07D3189366F383E" |
"D2D78163A84EAFE0_8832B1818976BEA4_6031_UN" | "COC(=O)NCCC(=O)OCC(N)CCC1=CC=NC=C1" | 21 | "E07D3189366F383E" |
"31E364014FDB0BA5_BA10B6D321F5D847_6031_UN" | "COC(=O)NCCC(=O)OCC[N]1N=C(C)C(=C1N)C#N" | 21 | "E07D3189366F383E" |
"D2A115882B21CB85_DAC95F51C2164FD0_6031_UN" | "COC(=O)NCCC(=O)OCCOC1(CN)CCSCC1" | 21 | "E07D3189366F383E" |
"819937A98C6A3C22_70D120CA1665323A_6031_UN" | "COC(=O)NCCC(=O)OC[C@@]12[C@@](C1)(CNC2)C(F)(F)F" | 21 | "E07D3189366F383E" |
"6787D107BDA01386_3D20340F43862C6F_6031_UN" | "COC(=O)NCCC(=O)OCCOCC[N]1C=C(Br)C=N1" | 21 | "E07D3189366F383E" |
"5688859A837E0FED_526A24AFFFCE052B_6031_UN" | "COC(=O)NCCC(=O)OCCCOC1=NC=C(C=C1)Br" | 21 | "E07D3189366F383E" |
"A1508E86E397A165_C35D4F7062C58740_6031_UN" | "COC(=O)NCCC(=O)OCC1=C([NH]N=C1C(OC)=O)Cl" | 21 | "E07D3189366F383E" |
"86B75EB653B2AE44_00DBB25D5003D3B3_6031_UN" | "COC(=O)NCCC(=O)OCC1=C[N](C)N=C1C(C)(C)C" | 21 | "E07D3189366F383E" |
"5D089FB261186B64_BE0504DEA1B91D96_6031_UN" | "COC(=O)NCCC(=O)OCCC2=CC1=C(N=CC=C1)[NH]2" | 21 | "E07D3189366F383E" |
"85A2A5A47BFB9588_2B9A2AE796E81B55_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=N[N]1C)C(F)(F)F" | 21 | "E07D3189366F383E" |
"56CB47F7E0326AAC_F7203F23395B5CCC_6031_UN" | "COC(=O)NCCC(=O)OCC2CCC1=C(C=CN=C1)N2" | 21 | "E07D3189366F383E" |
"F9D82A11BFE191D8_E9346EA4BF6E2DB2_6031_UN" | "COC(=O)NCCC(=O)OCC1=C([N](C)N=N1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"C0AD79F4E771EDA9_29D18F2953B3FA97_6031_UN" | "COC(=O)NCCC(=O)OCCC1=NN=C2COCC[N]12" | 21 | "E07D3189366F383E" |
"55BE3A57C2F451B7_807C929D665CFA85_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)[S](=O)(=O)O" | 21 | "E07D3189366F383E" |
"BB571FF8530AA386_CBF004CBABAB3A6F_6031_UN" | "COC(=O)NCCC(=O)OCC1(C(C)(F)F)CCOCC1" | 21 | "E07D3189366F383E" |
"2F0DDB3E70AA0204_19D47FE1F3364557_6031_UN" | "COC(=O)NCCC(=O)OCCC(N)C1CCCCCC1" | 21 | "E07D3189366F383E" |
"951E134DA4D12B33_68712BABE656BB55_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=CC=C1)[S](=O)(=O)O" | 21 | "E07D3189366F383E" |
"1D1CA849B2142A80_D079581E72EE8CA4_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=NC=C1Br)OCC" | 21 | "E07D3189366F383E" |
"44373478C731B2DF_9259037A7559FB94_6031_UN" | "COC(=O)NCCC(=O)OCC2COC1(CCCCC1)O2" | 21 | "E07D3189366F383E" |
"36F1F941869622DA_81EEAB9F2DB1A449_6031_UN" | "COC(=O)NCCC(=O)OCC(CCC(OCC)=O)(F)F" | 21 | "E07D3189366F383E" |
"969E7D9F3738A11C_0A98876FAE5C9268_6031_UN" | "COC(=O)NCCC(=O)OCCC(N)C1=CC=C(C=C1)Br" | 21 | "E07D3189366F383E" |
"830F6640A5DCC0FE_A5DE357A960F6C17_6031_UN" | "COC(=O)NCCC(=O)OCCC(C1=CC=CC(=C1)C)N" | 21 | "E07D3189366F383E" |
"37C4A74F786783FA_1A9904E903DB8947_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=CN=C1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"EC4AEB9A7109EFDA_C65D8B19682D8294_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)CC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"779DE6D6C8E8F3F2_B19F46EB5450E273_6031_UN" | "COC(=O)NCCC(=O)OCCN(CC)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"D1BC3B04140579F5_A8CDBA51FCC8DECD_6031_UN" | "COC(=O)NCCC(=O)OCC#CC1=C(C=C(C=C1)Cl)Cl" | 21 | "E07D3189366F383E" |
"345DD545AA1D0E03_62F7A1C86E04AF11_6031_UN" | "COC(=O)NCCC(=O)OCC2=C1OCCC1=CC(=C2)Br" | 21 | "E07D3189366F383E" |
"59972BEA152128B2_0F0935F80E8133E3_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=C(C=C1)[N](=O)=O)Br" | 21 | "E07D3189366F383E" |
"F3CC26DAE7AB7FD5_C5A26480CFC72F96_6031_UN" | "COC(=O)NCCC(=O)OCCNC1=C(C=C(C=C1)F)F" | 21 | "E07D3189366F383E" |
"E310E194647C3099_4411840EA732EFC3_6031_UN" | "COC(=O)NCCC(=O)OCCNC1=CC=C(C=C1)C#N" | 21 | "E07D3189366F383E" |
"B8A94CDF46E1801B_654F804659DA3995_6031_UN" | "COC(=O)NCCC(=O)OCC1NCCC2=C1C=CC=C2" | 21 | "E07D3189366F383E" |
"EB5891F0EBC11E2E_CFB28EFF282DF937_6031_UN" | "COC(=O)NCCC(=O)OCCCC1=C(C(=CC=C1)F)F" | 21 | "E07D3189366F383E" |
"37E795238C9D8CC0_F824E0BC5C4B1407_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC2=C(C=C1)N=CC=C2" | 21 | "E07D3189366F383E" |
"85C74AA73160DE1C_A4832859260FD6CD_6031_UN" | "COC(=O)NCCC(=O)OCCCOC1=CC=C(C=C1)F" | 21 | "E07D3189366F383E" |
"A511DC2340EAAECF_F823BAD5CF5B1346_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=C(O1)C2=CC=CS2" | 21 | "E07D3189366F383E" |
"16805C655CB91469_0F41A623B6F8EE81_6031_DP" | "COC(=O)NCCC(=O)OCC1(C(OC)=O)CCNCC1" | 21 | "E07D3189366F383E" |
"AA6A356AAE1EB561_DEA2D394C99CEFB0_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)OCC=C" | 21 | "E07D3189366F383E" |
"384882F197906D59_4FC205714768F570_6031_UN" | "COC(=O)NCCC(=O)OCCC1=C(OC)C=CC(=C1)Cl" | 21 | "E07D3189366F383E" |
"5B804FEA25713F92_E4563D8DD4A2C431_6031_UN" | "COC(=O)NCCC(=O)OCC1CC3(C1)CC2(CCC2)C3" | 21 | "E07D3189366F383E" |
"E16B089D4377903A_C8E8DAE3CE30B03E_6031_UN" | "COC(=O)NCCC(=O)OCCC1=CC=C(OCC)C=C1" | 21 | "E07D3189366F383E" |
"974CFC0D58B683C7_ADA0FA6F702A2EE5_6031_UN" | "COC(=O)NCCC(=O)OCC12CNC(=O)N1CCOC2" | 21 | "E07D3189366F383E" |
"19C5BFD6E34CC18C_C8771A9A80CD9CFE_6031_UN" | "COC(=O)NCCC(=O)OCC1CC1CC2=CC=CC=C2" | 21 | "E07D3189366F383E" |
"297BE5AD5178FC19_7A60C06CC15F5525_6031_UN" | "COC(=O)NCCC(=O)OCC[C@H]2[C@H]1C[C@H](C1(C)C)CC2" | 21 | "E07D3189366F383E" |
"C4909ED0621F7970_8A609841F6DA8229_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=CC(=C1)F)[N](=O)=O" | 21 | "E07D3189366F383E" |
"3485230E3E2D3E30_E7F7872EE87E0473_6031_UN" | "COC(=O)NCCC(=O)OCC(C(OCC)=O)(CC)CC" | 21 | "E07D3189366F383E" |
"1D971948EB32E306_9DC3B259F2FFBB9A_6031_UN" | "COC(=O)NCCC(=O)OCCC1=CC[C@@H]2C(C)(C)[C@H]1C2" | 21 | "E07D3189366F383E" |
"35315F772DF668D1_05E911DA313132F8_6031_UN" | "COC(=O)NCCC(=O)OCC1=N[N](C(=C1)C(OC)=O)C" | 21 | "E07D3189366F383E" |
"A6BD26B3B5ABBD1D_2242AF908D3270B3_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=CC(=C1)F)[N](=O)=O" | 21 | "E07D3189366F383E" |
"20DE05B4AF5BFEDF_BC52FFA9F2E72E3F_6031_UN" | "COC(=O)NCCC(=O)OCC2(CC1=CC=CC=C1)CC2" | 21 | "E07D3189366F383E" |
"DDACF5F76758A488_EAAEEF46E6D6EB64_6031_UN" | "COC(=O)NCCC(=O)OCC2=C([N]1C=CC=CC1=N2)Br" | 21 | "E07D3189366F383E" |
"AE616E89C8D680AB_A85930F570ADAAF5_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(CCCCC1)S2" | 21 | "E07D3189366F383E" |
"0BD0CC650FD0FE2D_34A512C0F246E3B0_6031_UN" | "COC(=O)NCCC(=O)OCC1CN(C1)C2=NC=CC=C2" | 21 | "E07D3189366F383E" |
"2F69B914ABC692C6_9DB8FAE69864C916_6031_UN" | "COC(=O)NCCC(=O)OCC1CC2(C1)NC(=O)NC2=O" | 21 | "E07D3189366F383E" |
"FF542A8FA361F066_10FC404FDB0ED2DE_6031_UN" | "COC(=O)NCCC(=O)OCC1(N)CCC(CC1)C(F)F" | 21 | "E07D3189366F383E" |
"8264462336F827E7_6ABAC6914968FB0F_6031_UN" | "COC(=O)NCCC(=O)OCC12CCC(CN)(CC1)OC2" | 21 | "E07D3189366F383E" |
"284E93E20B5AED75_8F8AF8C4CEF30821_6031_UN" | "COC(=O)NCCC(=O)OC[C@H](C)NC1=NC=C(C=C1)Br" | 21 | "E07D3189366F383E" |
"9E6E2BD1AD4ECC13_18EE40C1D5C083FE_6031_UN" | "COC(=O)NCCC(=O)OCC1(CCCO1)C2CCCO2" | 21 | "E07D3189366F383E" |
"C1B64580BB45A4A1_BCB2B5E954735BC6_6031_UN" | "COC(=O)NCCC(=O)OCC2(C)CC1=C(C=CC=C1)C2" | 21 | "E07D3189366F383E" |
"2000EDED6438AE1E_A4428BA7CD59EF89_6031_UN" | "COC(=O)NCCC(=O)OCCCCCCOC(=O)C=C" | 21 | "E07D3189366F383E" |
"9FD775DC1CCCFB92_97DBE72AABE9876C_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC2=C(S1)CC(C)CC2" | 21 | "E07D3189366F383E" |
"B29450F446B006E0_A969ECB588DCF761_6031_UN" | "COC(=O)NCCC(=O)OCC1=COC(=C1C(OC)=O)C" | 21 | "E07D3189366F383E" |
"D971B0ABC1538CEA_D5D4A42AAD84C22D_6031_UN" | "COC(=O)NCCC(=O)OCC1(CN)C2(C1)CCOCC2" | 21 | "E07D3189366F383E" |
"9BFEF0017C8C15D1_BA1AD317424B2864_6031_UN" | "COC(=O)NCCC(=O)OCC1=C[N](N=N1)C2CCOC2" | 21 | "E07D3189366F383E" |
"D29445F978A9ED76_E415E1A105BF9390_6031_UN" | "COC(=O)NCCC(=O)OCCNC1(C(OC)=O)CCC1" | 21 | "E07D3189366F383E" |
"DCEBCE7BF382E388_33E3188A0C2B26A7_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=NC(=N1)CCOC" | 21 | "E07D3189366F383E" |
"84DAB41538F6EC1D_EB853B971C9010CB_6031_UN" | "COC(=O)NCCC(=O)OCC(N)CC1=CC(=CC=C1)F" | 21 | "E07D3189366F383E" |
"FF9650DD8943AD2D_78D99EF913AFEC92_6031_UN" | "COC(=O)NCCC(=O)OCCC1=NN=C2CCCC[N]12" | 21 | "E07D3189366F383E" |
"A27B639B670C1506_33CAF00315910E01_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)C1=CC(=CC=C1)F" | 21 | "E07D3189366F383E" |
"905CDB4F4DD89A85_1B7CFB6BA9704E60_6031_UN" | "COC(=O)NCCC(=O)OCC(C)(C)C1=CN=C(C=C1)Cl" | 21 | "E07D3189366F383E" |
"AD970DDE8DBAF95B_6FF0E51B7BC0AD22_6031_UN" | "COC(=O)NCCC(=O)OCC1=C[NH]N=C1C(OCC)=O" | 21 | "E07D3189366F383E" |
"214072CD2BA12957_0D1D3A8AA22F4B7B_6031_UN" | "COC(=O)NCCC(=O)OCC1(CC1)C2=CN=C(C=C2)Cl" | 21 | "E07D3189366F383E" |
"7D3D88846CB24666_1E46D8D70F4850F7_6031_UN" | "COC(=O)NCCC(=O)OCC12CC(C(OC)=O)(C1)OC2" | 21 | "E07D3189366F383E" |
"FD25312560E27564_7CA6F258ED66C8F1_6031_UN" | "COC(=O)NCCC(=O)OCC2=CC1=C(CN(C)C1)C=C2" | 21 | "E07D3189366F383E" |
"DD0342F0203EB123_5BC5EF36B596BC66_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC2=C1N=C(C)O2" | 21 | "E07D3189366F383E" |
"622776C02C94E502_AEA1DFC6D8751933_6031_UN" | "COC(=O)NCCC(=O)OCC1CCC2C(CC1)C2(F)F" | 21 | "E07D3189366F383E" |
"D74EDB01DAD9628B_7283D273EC7C01C2_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(C=CC(=C1)C)S2" | 21 | "E07D3189366F383E" |
"173DD108D2C9EFE4_5778B4ADB49BB493_6031_UN" | "COC(=O)NCCC(=O)OC[C@H]1[C@H](CC(C)(C)C)CNC1" | 21 | "E07D3189366F383E" |
"535CC986C9774243_BD408147310D350E_6031_UN" | "COC(=O)NCCC(=O)OCC1(CCCC1)C2CCCO2" | 21 | "E07D3189366F383E" |
"28F76400C4F9CB55_76DFCC4B820309DF_6031_UN" | "COC(=O)NCCC(=O)OCCOC[C@H]1CCC[C@@H](C)N1" | 21 | "E07D3189366F383E" |
"890B0EBD823EE12E_ED1B745D6F661E99_6031_UN" | "COC(=O)NCCC(=O)OCC1CC(C)(C)OC(C1)(C)C" | 21 | "E07D3189366F383E" |
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