product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"8045E94C56E72A63_1427A5C064C6F81F_6031_UN" | "CCOC1=C[N](N=C1C(=O)OCC=CCl)C2=CC=CC=C2" | 21 | "F25B527DC7170B86" |
"6B3E1EED6DA6C8CF_8AAFF0825E85EBA4_6031_UN" | "CCOC1=C[N](N=C1C(=O)OCC(C)Br)C2=CC=CC=C2" | 21 | "F25B527DC7170B86" |
"A56784264D5F8959_5F0F9696739B7CE6_6031_UN" | "CCOC1=C[N](N=C1C(=O)OCCCI)C2=CC=CC=C2" | 21 | "F25B527DC7170B86" |
"9C6E509777CAE57D_A4C56F2502C600B6_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C2=C(S1)C=CC=C2)Cl" | 21 | "637509AE39023DDD" |
"668EEE659FB31340_DA844B92FE846051_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(N(C)C)C=C(C=C1)Br" | 21 | "637509AE39023DDD" |
"74DE26D3BBBD6EF2_495C39A0D041A987_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C)N=C2[N]1C=C(C)S2" | 21 | "637509AE39023DDD" |
"E0D2F816B816449E_03C97B727E7CE8F1_6031_UN" | "CN(C)CCCCC(=O)OCCC2=NC1=C(C=CC=C1)S2" | 21 | "637509AE39023DDD" |
"C56F5F010F9DBED8_E0C364CEC77DE8EE_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=CC=C1)SC(F)F" | 21 | "637509AE39023DDD" |
"12EF320B4426706E_F5504E05BD944DC2_6031_UN" | "CN(C)CCCCC(=O)OCCC1=C[NH]C2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"7FC315974C60C42C_6728215468CFBEA1_6031_UN" | "CN(C)CCCCC(=O)OCC2=C(C=C1OCOC1=C2)Cl" | 21 | "637509AE39023DDD" |
"D7C35D0D5720C0DE_23691355DFBFAFD3_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C(C=C(C=C1)Br)[NH]2" | 21 | "637509AE39023DDD" |
"F5656102EBCD1A98_43ECAE6F6C7D85E7_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(O1)C)C(OC)=O" | 21 | "637509AE39023DDD" |
"3FAFA1C06A94958C_E56B0EAE32CE1EB2_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(C=C1)Cl)[N](=O)=O" | 21 | "637509AE39023DDD" |
"32F120F6A1E3DCFF_DDD07BAA4D4E1708_6031_UN" | "CN(C)CCCCC(=O)OCCNC1=C(C=CC=N1)C#N" | 21 | "637509AE39023DDD" |
"C002DBBB48D3FD76_5B44F8D3A3B2D6EF_6031_UN" | "CN(C)CCCCC(=O)OCC2=C1OCCOC1=CC=C2" | 21 | "637509AE39023DDD" |
"4B0AE80E3D53F992_D9123801E9FF9EB6_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC2=C(C=C1)OCCO2" | 21 | "637509AE39023DDD" |
"AAB429FC133185C3_F310A5C803C0E0A3_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC(=C1OCOC1=C2)Cl" | 21 | "637509AE39023DDD" |
"C6FD72499900562B_06DF933A7B35E416_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(Cl)N=C2C=CC=C[N]12" | 21 | "637509AE39023DDD" |
"590872A171DB770E_3088F9BBCAC1FC23_6031_UN" | "CN(C)CCCCC(=O)OCCNC1=CN=C(OC)C=C1" | 21 | "637509AE39023DDD" |
"5BE600EC5941040C_0A3076E6C888003D_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C([N](C)N=N1)C=C2" | 21 | "637509AE39023DDD" |
"F46B47FFCD40A49C_E49BCD6ADED0EE4C_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC(=O)N1C=CSC1=N2" | 21 | "637509AE39023DDD" |
"4A56231B203376A4_7F91D7E7AB41BEAD_6031_UN" | "CN(C)CCCCC(=O)OCC23CC1CC(CC(C1)C2)C3" | 21 | "637509AE39023DDD" |
"B10AE3D0ED4DB5D2_C5FC91C6ED5E8E30_6031_UN" | "CN(C)CCCCC(=O)OCC1CCC(CCCC)CC1" | 21 | "637509AE39023DDD" |
"39B69CBD9B72C402_1D46822C789912B2_6031_UN" | "CN(C)CCCCC(=O)OCC1=C[NH]C2=C1C=C(C=C2)Br" | 21 | "637509AE39023DDD" |
"D0D699EA306F26AA_DD590FFB8849AEFE_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C=CC(=C1)C)[NH]2" | 21 | "637509AE39023DDD" |
"49C90C8368193B5E_9E6195A56E5C1455_6031_UN" | "CN(C)CCCCC(=O)OCCCNCCCCCCC" | 21 | "637509AE39023DDD" |
"FD55DC51F5027B60_FBA865DA8C4404BA_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC2=C([N]1C)C=CC=C2" | 21 | "637509AE39023DDD" |
"EF0C3952FDB6A81B_EF1ADB008AEAEF43_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(OC(C)C)C=C1" | 21 | "637509AE39023DDD" |
"27C62CB7611CDD0F_EE6730BE7E3D584F_6031_UN" | "CN(C)CCCCC(=O)OCCN(C)C1=CN=C(C=C1)N" | 21 | "637509AE39023DDD" |
"9B8381EE74ACC00E_71EBDD5E07953CF4_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(CN(C)C)C=CC=C1" | 21 | "637509AE39023DDD" |
"CE0FC7646063855E_098FA909FEC01C62_6031_UN" | "CN(C)CCCCC(=O)OCC1(N)CCC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"8F7775956C9E858B_3CAC05DA11BE69FE_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=C(N)C=CC(=C1)F" | 21 | "637509AE39023DDD" |
"5D832756E3994730_C7F74ED6741D68F4_6031_UN" | "CN(C)CCCCC(=O)OCCNCC1=C(C=CC=C1)Br" | 21 | "637509AE39023DDD" |
"5ECE80FB493CE236_45205B06DB6FD6B8_6031_UN" | "CN(C)CCCCC(=O)OCCCOC1=C(C=CC=C1)Cl" | 21 | "637509AE39023DDD" |
"98C29E8A7AD585E4_B063B53EFCD96FBE_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(OCCC)C=C1" | 21 | "637509AE39023DDD" |
"8E7BC98C33BFFF9C_EC7828FCF25204A9_6031_UN" | "CN(C)CCCCC(=O)OCC(N)C1=C(C=CC(=C1)F)F" | 21 | "637509AE39023DDD" |
"5DC5FACE39D4D8AC_85F0FA4D7C7A2F60_6031_UN" | "CN(C)CCCCC(=O)OCC1=C[NH]C2=CC=CC(=C12)C" | 21 | "637509AE39023DDD" |
"0578738D5C1D223B_62DDE6C1877525D4_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=CC=C(CN)C=C1" | 21 | "637509AE39023DDD" |
"E3DF493EC2E5D7EE_B3C68E05F564B64C_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC=C[N]1CC(F)(F)F" | 21 | "637509AE39023DDD" |
"45DE27E7AE978225_CC9A5FA0608BB446_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=CC(=C1)C(OC)=O" | 21 | "637509AE39023DDD" |
"A8D8F9A3174B4D1B_418DE6EC1B825BA7_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(N(C)C)C=C1)F" | 21 | "637509AE39023DDD" |
"07E2D7FF3CC0279F_8A33D733A6AD1F17_6031_UN" | "CN(C)CCCCC(=O)OCC(CC)NC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"6DB7733D8A6C21B9_1B721B4C2D60D16B_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=C(C)C=CC=C1C" | 21 | "637509AE39023DDD" |
"025F50CB92E96AAF_DEB136AABEADBA84_6031_UN" | "CN(C)CCCCC(=O)OCCCN(C)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"799B72E4DD24F5A2_BD43E3E9EE868172_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(N(C)C)C=CC=C1Cl" | 21 | "637509AE39023DDD" |
"C31F7491C296B1F8_8AFD78C1A15DA24A_6031_UN" | "CN(C)CCCCC(=O)OCC(CC)(N)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"815DCD4BD7A5AB0D_71388C6DF8ACDF4F_6031_UN" | "CN(C)CCCCC(=O)OCCCSC1=CC=C(N)C=C1" | 21 | "637509AE39023DDD" |
"87A4C619FBBC8C6B_A354BC2C93563D25_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC(=NO1)C2=CC=CO2" | 21 | "637509AE39023DDD" |
"755F97AC39F7413A_8045298B8C8F070A_6031_UN" | "CN(C)CCCCC(=O)OCC1CCCN1CCCCN" | 21 | "637509AE39023DDD" |
"65EC3D488B25E49D_AECCFBFE7D8D6DA8_6031_UN" | "CN(C)CCCCC(=O)OCCOCCNCCN(C)C" | 21 | "637509AE39023DDD" |
"794A63188B352B69_7F7107C1C23F5E72_6031_UN" | "CN(C)CCCCC(=O)OCCN[C@H](C)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"EC11584A34FC1C1A_7202A392B3507177_6031_UN" | "CN(C)CCCCC(=O)OCCNCCOCC(F)(F)F" | 21 | "637509AE39023DDD" |
"B579FE464CA9F598_23C7FA2EE76A40F5_6031_UN" | "CN(C)CCCCC(=O)OCCCCOC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"3B2F64491BB21A3B_D996F4F812EE1BCB_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=C(C=CC(=C1)Cl)Cl" | 21 | "637509AE39023DDD" |
"BE94C7F44686EB4B_F187E0C6C555AA36_6031_UN" | "CN(C)CCCCC(=O)OCCCOC1=NC(=CN=C1)Cl" | 21 | "637509AE39023DDD" |
"62ACE2E4BC855D1E_FC8A03A7ED21F77F_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC=C(C(OC)=O)C=C1" | 21 | "637509AE39023DDD" |
"F3276939C01F0842_A74D0BB7AFFAC282_6031_UN" | "CN(C)CCCCC(=O)OCCCOC1=C(C=CC=C1)Br" | 21 | "637509AE39023DDD" |
"FB6DFC8C2353387E_95E928783F0FB54F_6031_UN" | "CN(C)CCCCC(=O)OCCC(NC)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"E803DCAE9C69220F_481DB446A8B87B2A_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=CC=C(C=C1)C#N" | 21 | "637509AE39023DDD" |
"68450F8AC70F7539_E2C23CF431DF9BE0_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C=C(C=N1)Br)[NH]2" | 21 | "637509AE39023DDD" |
"CB9D457D90394668_68E6A621D25EF1FC_6031_UN" | "CN(C)CCCCC(=O)OCC(C(C)C1=CC=CC=C1)N" | 21 | "637509AE39023DDD" |
"DEBC6F31238D4FC7_7952F1DFCBE2157E_6031_UN" | "CN(C)CCCCC(=O)OCC#CC1=CC=CC(=C1)OC" | 21 | "637509AE39023DDD" |
"1D03E0CE477A6C43_B93EA2B459C8C77F_6031_UN" | "CN(C)CCCCC(=O)OCC1CCN(C1)C2CCCC2" | 21 | "637509AE39023DDD" |
"EE00D3D24AFDE829_767989D8522AAFDD_6031_UN" | "CN(C)CCCCC(=O)OCC2=C1C=CC=C[N]1C(=N2)C" | 21 | "637509AE39023DDD" |
"F0DE4EF93B8765C1_E9D2DBFDC347C7FF_6031_UN" | "CN(C)CCCCC(=O)OCC[N]1N=CC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"DCC3DB30C2E0D7D0_CC0E7F6686C69F7B_6031_UN" | "CN(C)CCCCC(=O)OCC(C1=C(OC)C=CC=C1)N" | 21 | "637509AE39023DDD" |
"14B6D6259E286FB7_E82F03C09AAA2B00_6031_UN" | "CN(C)CCCCC(=O)OCCOCC[N]1N=C(N)C=C1" | 21 | "637509AE39023DDD" |
"31E5CCD0FA898D0E_A2476BCE8F80C917_6031_UN" | "CN(C)CCCCC(=O)OCC(N)C1=C(C=CC=C1F)F" | 21 | "637509AE39023DDD" |
"15136F3494810952_01C51451CB4715A2_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C)C2=C(O1)C=CC=C2" | 21 | "637509AE39023DDD" |
"595503A005DFAF2D_F2CE68B2959BEF89_6031_UN" | "CN(C)CCCCC(=O)OC[C@@H](C)NCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"0BC10D4F798F4295_F08BFA1FC9E47B7A_6031_UN" | "CN(C)CCCCC(=O)OCC1(CC(CC(C)C1)(C)C)N" | 21 | "637509AE39023DDD" |
"1642CAB6C6F8FEF7_7C5CC44C34A894E7_6031_UN" | "CN(C)CCCCC(=O)OCCCC1=CC=CC(=C1)OC" | 21 | "637509AE39023DDD" |
"134EAFBEF93477C3_03BCBDD1AF726A33_6031_UN" | "CN(C)CCCCC(=O)OCC(C)COC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"1FBC6C6815137BDD_DF53221AA9D090A1_6031_UN" | "CN(C)CCCCC(=O)OCCN1CC2=C(C1)C=CC=C2" | 21 | "637509AE39023DDD" |
"60A81B955D1B73BC_E72E5B4AF4FAA484_6031_DP" | "CN(C)CCCCC(=O)OCC1CCCN1C(C)C(=O)O" | 21 | "637509AE39023DDD" |
"B9BA47585987DB64_28E5EBE22890A4BB_6031_UN" | "CN(C)CCCCC(=O)OCC(CC1=CC=CC=C1)C#N" | 21 | "637509AE39023DDD" |
"FD13522635C31F05_2FDFA4AD30325A50_6031_UN" | "CN(C)CCCCC(=O)OCCCNCC1=CC=NC=C1" | 21 | "637509AE39023DDD" |
"50BD089BF821D291_C446E8D54E70B028_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(OC)C=CC=C1OC" | 21 | "637509AE39023DDD" |
"950325DC10351D4F_C2820914C8C0D709_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=CC(=C1)CN(C)C" | 21 | "637509AE39023DDD" |
"80E7BEFDBFDD92A3_949E8BE918530F8B_6031_UN" | "CN(C)CCCCC(=O)OCC2=C[N]1C=CN=C1C(=C2)Cl" | 21 | "637509AE39023DDD" |
"F2247E1944B20639_4BB358F02FA036C3_6031_UN" | "CN(C)CCCCC(=O)OCC1=CSC(=N1)C(OCC)=O" | 21 | "637509AE39023DDD" |
"62173359168357B5_A6B5A2E08A57C004_6031_UN" | "CN(C)CCCCC(=O)OCC2=C(C=C1OCOC1=C2)Br" | 21 | "637509AE39023DDD" |
"5B3D23EE1D33DF63_7A0AFE922DD8B005_6031_UN" | "CN(C)CCCCC(=O)OCC2CSC1=C(C=CC=C1)O2" | 21 | "637509AE39023DDD" |
"E418CE58605577DE_E03746FD719A6484_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C=C(C=C1)F)O2" | 21 | "637509AE39023DDD" |
"A16A03A605801654_54AE220DE7428473_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=C(C=C1)B(O)O)Cl" | 21 | "637509AE39023DDD" |
"0ADAF52F39538CEC_844F099D4A6D850F_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C=CC(=C1)N)O2" | 21 | "637509AE39023DDD" |
"426D0E5A1E8072DE_61B1B5C3DAB8A6EA_6031_UN" | "CN(C)CCCCC(=O)OCCCCC1=CC(=CC=C1)Br" | 21 | "637509AE39023DDD" |
"BB718A4A516EA194_4B7488E32B20CDCC_6031_UN" | "CN(C)CCCCC(=O)OCC2CCC1=NN=C(C)[N]1C2" | 21 | "637509AE39023DDD" |
"4818CEF4965F3CDF_166EDFFFD433508B_6031_UN" | "CN(C)CCCCC(=O)OCCN(C(CCCC)=O)CC" | 21 | "637509AE39023DDD" |
"D42C77D4E532EC8B_284AEA585393DFCE_6031_UN" | "CN(C)CCCCC(=O)OCCCNCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"42F07CEA9D5A9EAF_E09A6301671AB6F9_6031_UN" | "CN(C)CCCCC(=O)OCCCNCC1=CN=CC=C1" | 21 | "637509AE39023DDD" |
"F717C40A2BDBF004_6A18DC0EB386A087_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C(C)C=CC=C1[NH]2" | 21 | "637509AE39023DDD" |
"9EAADCFE2CE1C4D8_CFA9D5E8E149C6A1_6031_UN" | "CN(C)CCCCC(=O)OCCSCC1=CC(=NC=C1)N" | 21 | "637509AE39023DDD" |
"E08348540284A765_F6FB43A8D433313A_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C=C1)OC(F)F" | 21 | "637509AE39023DDD" |
"F26FFA01AAB40CAB_7FF42AB91AB57E36_6031_UN" | "CN(C)CCCCC(=O)OCCCCCCCCCCC" | 21 | "637509AE39023DDD" |
"0002D5F3662D8325_022474B872FCC94A_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC(=C1OCOC1=C2)Br" | 21 | "637509AE39023DDD" |
"A5D188BC06B03752_29917477D0DDF0F5_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC(=NO1)C2=CSC=C2" | 21 | "637509AE39023DDD" |
"44C3D453D6FDC3ED_14D331C9F4C5F272_6031_UN" | "CN(C)CCCCC(=O)OCCNCCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"F14ED7B9F855B834_1AB5CEF510D5E5D5_6031_UN" | "CN(C)CCCCC(=O)OCCC(N)C1=CC=C(C=C1)F" | 21 | "637509AE39023DDD" |
"9A114240DF6D9954_D7BF9EA355313C03_6031_UN" | "CN(C)CCCCC(=O)OCC1CCCC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
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