smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CSCC#C | 9B9C85CA36BE0222_FFE97F16AF069041_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)[S](=O)(=O)N4CCCCC4 | 1A91EAAAAA078310_787C828D228B366B_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)[S](=O)(=O)N4CCCCCC4 | 68FAD514373CE785_4D3B319293775549_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](NC4=C(C=C(C)C=C4)C)(=O)=O)=O | 54222C7937CBB373_D22E62CA4E89718B_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)C=CC(=C3)[S](=O)(=O)N4CCOCC4)=O | 336E302AC6983ABC_8B55AD231249AD69_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(N[S](C3=CC=C(OCC)C=C3)(=O)=O)C=C4)=O | 1DB292DF939BCE45_C214034CCE596976_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)[S](=O)(=O)N5CCC4=C(C=CC=C4)C5 | E7E876BA9E2271C6_54BB81BED4D8758D_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C5=CC3=C([N](N=C3C)C4=CC=CC=C4)S5)=O | 3103AEBC29D3419D_E5908B5D5BBE6D33_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(N[S](C3=C(C=CC(=C3)C)C)(=O)=O)C=C4)=O | 6714343498699E0F_F146E3120672D6DF_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3=CC=C(C)C=C3)C=CC=C4)=O | 3897E36AC3F777CD_C249A80E11298A24_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C5=C(C=C3)C(=O)C4=C(C=CC=C4)C5=O)[N](=O)=O | 6CEB1DDC53E55DA4_0BF31D728E1C33DE_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](N(CC)CC)(=O)=O)=O | 14F3DDFCB520A727_97C674C6DEA86B68_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C(C=C3)F)[S](=O)(=O)N4CCOCC4 | FA46F1560670A273_52B1ED697F2180D7_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3)[S](NC4=C(OC)C=CC=C4)(=O)=O)C)=O | 914C3F281FC6010B_D400BFE5422AE300_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=C(C)OC(=N3)C4=CC=CC=C4)=O | 2FFE64E86627266C_DA85D2C071BE8594_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C5=CC3=C([N](N=C3C)C4=CC=C(C=C4)F)S5)=O | 63BDF5C5AF1BB663_F06F2C01091185B4_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC3=CC=C(C=C3)[S](=O)(=O)N4CCOCC4 | 3386E5B1633CAAF0_9B7379B8E6BE54F1_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](NC4=CC=C(C)C=C4)(=O)=O)=O | D67D145093466D7F_D872DD04400BC357_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NC4=C3C=CC=C4)C6=CC5=C(C=C(OC)C=C5)C=C6)=O | 5CAE15F6C391733C_42C0C9C163099154_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NC4=C3C=CC=C4)C5=CC=C(C)C=C5)=O | 2AB005F250572347_E2CD363441789AD1_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=CC=CC3=NC(=C4)C5=CC=CO5 | 95BAF3063EA88945_CAFEC8FC0AD3B3A0_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=CC4=NC(=C(N=C34)C)C)F)=O | 9FC95405144A2237_2C6A543C45B79778_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)N[S](=O)(=O)C4=CC(=C(C=C4)Cl)Cl | 416739545EEBB5E3_9822E95F5F5D5D0F_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CSC=C3 | F5833E1F9A0F4295_12EBCFB942066623_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C(OCC(N)=O)C=C3)=O | 3E97BB53AF99121B_EF051368D93002E1_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C([S](NC3=CC=C(C)C=C3)(=O)=O)C=C4)=O | 70E7EE741C4E7B27_DF966BE3C4172D91_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 | F2BB92F4C3F143A1_8F056DB423ADC8E9_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC(=C3)N[S](=O)(=O)C4=CC=C(C=C4)F)N[S](=O)(=O)C5=CC=C(C=C5)F | 4C082265DAE4B970_748D2F1E2A85E61B_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C(C=C3)F)[S](=O)(=O)N4CCCCC4 | 407FF300B8D6A88A_BAC37DB42A1DBC77_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](N(CC)C4=CC=CC=C4)(=O)=O)=O | A942730A635257B2_13C3F5FE343C6A59_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)C)[S](NC4=CC=C(OC)C=C4)(=O)=O)=O | D4043D29A3AE2388_F1EC53C6906A8112_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CCC(=O)N(CC3=CC=CC=C3)C4C5=CC=CC=C5 | 7CE7A87910858D2E_057A1AD623E69DEE_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(=CC3=CC=CS3)C4=CC=CS4 | E634D7EC749B446F_9611EEFAEA18D4FE_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC=C3)OCC4=CC=C(C=C4)F | C83DA2BF7B445186_D693D67519E7E7D6_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COC3=CC(=CC(=C3)C)C)=O | 93800E6819B76351_D61E2818CE81FD10_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=C(C=C3F)F)F | DDBB7CCCFAD7BB37_560A562314C0C54C_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[N](N=C3C4=CC=CC=C4)C5=CC=CC=C5 | D2A673E0462B828A_9FF1292A0F5D2E9F_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[N](N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5 | F8A925FD70FA35CA_04DB1A544758D9A1_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCOC3=CC=C(C(C)(C)C)C=C3)=O | 15C8B9BC93ECBD8F_DBF53712A89655EF_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCOC3=C(OC)C=CC=C3)=O | 1876E5C1D42706A6_95C9531876C961B2_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CC=C(S3)[S](=O)(=O)N4CCCCC4 | 013CED8FECDBA648_0DECD040AC1CD4B4_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)[N](C(=C3)C)C4=CC=C(C=C4)F)=O | 7C75FF3F3332F22A_6B93A74B0F2EB676_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=CC=CC3=NC5=C4CCCC5=CC6=CC(=CC=C6)[N](=O)=O | CD251402C7E16A7B_1DBBF5F046CD415C_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=CC=CC3=NC5=C4CCCC5=CC6=CC=CS6 | 74B21A479EDDD64D_D2739BB90169388F_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N[S](CCCC)(=O)=O)C)=O | 5FF78688DBB5E911_A4B130ADE47F2624_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CCSC)N[S](=O)(=O)C3=CC4=C(C=C3)OCCO4)=O | 8231621D58DCD2C4_4709DF40745F4F86_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3)[S](NC4=CC=C(OCC)C=C4)(=O)=O)C)=O | 4939C96FF01149F0_BE7DE470D868565D_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C3C=CC=CC3=NC5=C4CC(CC5=CC6=CC=C(OC)C=C6)C(C)(C)C)=O | 7A4653550BDBE2D4_C610A73FBA8484FE_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COC4=CC=C(N(C)[S](=O)(=O)C3=CC=C(C=C3)C)C=C4)=O | DE9FA91384D9AC66_19BC056CC33F0F5D_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COC5=CC=C(N(C)[S](=O)(=O)C3=CC4=C(C=C3)C=CC=C4)C=C5)=O | E7B1619099ABB9FE_16238F72AF75C685_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)[S](=O)(=O)NCC4=CC=CO4 | 8EB8C23327CE2902_9AD0740200FF3D5F_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C([S](NC3=CC=C(OCC)C=C3)(=O)=O)C=C4)=O | 03782F23C23BDC50_30C239B4FCD088D5_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](N(CCCC)C4=CC=CC=C4)(=O)=O)=O | C49EB1BCF2BBF8BB_1D73F1D93666764E_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(N[S](C3=CC(=C(C=C3)F)C)(=O)=O)C=CC=C4)=O | BB540D0A395CA978_D5E40E0D74C02243_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)C)N[S](C4=C(C=C(C)C=C4C)C)(=O)=O)=O | 43FBAF60E3687075_DCDBCADC35C64D38_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC(=C3)F)[N](=O)=O | 985AA6D4BE1BB2B1_20FE3CA0189996D0_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN3N=C(C=CC3=O)C4=CC=CC=C4 | 6520B82927B77C91_BF9D18ADB20C2B75_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CSC4=C3C(=CSC3=NC=N4)C5=CC=CC=C5 | 981F8DB6D05DFA96_84FFE29E427CB324_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCOC3=CC=C(C)C=C3)=O | 507D6F60AC85A5C4_10F153E8825A42FC_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCN3CCCC(C(N)=O)C3)=O | 3B14E8C7E354EC69_11677FA209C4A4B4_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=N[N]4C(=N3)N=C(C)C=C4C)=O | 73490BE02B5F93E2_CFBAC9BBA95E8F2E_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[N]3C=CC4=C3C=CC=C4 | 641EA6D4D6E49236_0BF42A08EB06B276_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3C5=C(CCN3[S](C4=CC=C(C)C=C4)(=O)=O)C=CC=C5)=O | 3BCEF9C7AA1A4C6B_04C770B357024349_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C3C=CC=CC3=NC5=C4CC(C(C)(C)C)CC5=CC6=CC=CS6)=O | D31F088B3A2B0505_8947040DCF87B2F9_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N[S](C3=CC=C(C)C=C3)(=O)=O)CCC(=O)N)=O | 1E56087C7A3932C8_2D5B32C5B72FF22A_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C3C=CC=CC3=NC(=C4C)CC)=O | EAA278C039DEDE9C_29B86344C21CE41C_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC(=C(SC3=NN=C[N]3C)C=C4)[N](=O)=O)=O | 6FF2282FFF86824C_C375D3D815695488_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3N=C[NH]C3=CC(=C4)F | BF6ACAE0270B54BC_0116E9FCD188E340_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C([S](NC3=CC=CC(=C3C)C)(=O)=O)C=C4)=O | 7C94DB7ADF010E15_2757F063F19648A1_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CSCC3=CC=CC=C3 | F1CC3817CA35C618_B115291D44576393_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC[N]3C=CC=N3 | BC8514636A039969_459A2A9DA649562F_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC=CC3 | 89C37100D655BA46_C7F32521F0D5E781_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)C)[S](NC4=CC=C(CCCC)C=C4)(=O)=O)=O | 1131629594CBE846_27FC72205194A3E0_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCOC3=CC(=CC=C3)F | 1128231A5F90D4EF_BAE1552869C13902_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(CC3=CN=C[NH]3)N5C(=O)C4=C(C=CC=C4)C5=O | 15D3FB2EEE41B35C_F90667E203F465B7_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=CC=C(COC3=CC=C(C=C3)F)O4 | C0475CCA1D1FE378_B0FAD6BDCBD0FC2E_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COC3=C(C(C)C)C=CC(=C3)C)=O | 324A5352D60042D6_9A6AACD2D37ABDF3_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)N[S](C4=C(C)C=CC(=C4)C(C)(C)C)(=O)=O)=O | E6060D35A50996CB_698A09B9B9205650_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC(=C(N3CC(CC(C)C3)C)C=C4)[N](=O)=O)=O | D4D0A8F7FE41813F_563E7A98FA242C4C_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C(=C(C)[NH]3)C(OCC)=O)C)=O | 0A7683492989E4A5_E6F3376E2EB83049_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(NC(C)=O)SC(=C3C)C)=O | D21666881F6F40B2_5B7E0DF05679188B_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN(C)[S](=O)(=O)C3=CC=C(C=C3)C)=O | EAFFCF5CEE8EB307_BF53CACAC988681C_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(OC)C=C3)[S](=O)(=O)NCCCN4CCOCC4)=O | 139678FD55783F2B_CA18F4433FC97575_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCCN3C(=O)C4=CC=CS4 | 3F0458CE8C5BDA59_7AB1B75F70A62CC9_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC(=C(N3CCC(C)CC3)C=C4)[N](=O)=O)=O | 2B0CFA05E7646CE3_1565DEC6E97D56D3_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC(=C(N3CCCC(C)C3)C=C4)[N](=O)=O)=O | E9497BAFDE65DFF7_7B627A15E16093DD_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCSC3=CC=C(C)C=C3)=O | FB5DAB4712C0CAD3_A9E220E0201872B3_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC=C3)N[S](=O)(=O)C4=CC5=C(C=C4)OCCO5 | CB1B6CC68FE2168E_9B829D5E38F536F6_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(OC)C=C3)[S](=O)(=O)NCC4=NC=CC=C4)=O | 1A60AE7AAED87924_8B33B95A94589A54_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)OC(C)C)OC)=O | CA5515856BADD086_FF53DD9AD9F0D5D0_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)OCCC(C)C)OC)=O | C760A4AF14B9609B_247ACCF99E6E6AA5_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NC4=CC(=N[N]34)C)C)=O | 1A31617718FFAF0A_652C0C3A40C042EA_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC=C3)C5=NC4=C(C=CC=C4)S5 | A042F06219FAA672_1ACC1A78A2FA024A_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(N[S](C3=C(C=C(C)C=C3C)C)(=O)=O)C=CC=C4)=O | 149C22CD3A664E7B_04243282487C3DB8_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCOC3=C(C=CC=C3)F | 2F8E34A3D5B9BDED_F0B5FA391FF9E725_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C([S](N3CC(CC(C)C3)C)(=O)=O)C=C4)=O | 4201FF3D75FDE629_A71B0E37F1260116_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](OC4=C(OCC)C=CC=C4)(=O)=O)=O | 8A0BD2C898E6DC89_CD601C10BBAAD68E_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCOCC3=CC=CC=C3 | 69EA8F9771560F33_C99F134B5FF9DE7E_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=CC=CC3=NC5=C4CCC5=CC6=CC(=CC=C6)OC7=CC=CC=C7 | 80C9315D4764FA38_820DAB8268B525CF_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC3=NC=NC4=C3C(=C(C)S4)C)=O | C56E5F4F2BBBDE7A_D77FD8020CCEAFE9_6038_UN | 29 |
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