smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3)OC)OCC4=NOC(=C4)C)=O | D464C807C0BAE14A_D611E488BB4FFF9E_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=COC(=C3)[S](NC)(=O)=O)=O | FDC258F70272E5FB_67C3515DB74974B9_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=NC=C3)=O | 1BA05EBF847402AA_C819FC269645A93F_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN4C=NC3=C(C)C=CC=C3C4=O)=O | A0B39E1E814AA15F_DB89CB9455D79069_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(SCC3=NC(=NO3)C)C=CC=C4)=O | CFA7DC2D640B1ED2_FA545452F73C8753_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC4C3=CC(=C(OC)C=C3CCN4C(=O)C5=CC=CC=C5)OC)=O | 65B4218EF1DE4F4A_C9DB5FBA573776F5_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C[NH]3)C(C)=O)=O | 5F91310D4537EE4D_A776090340C445FC_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C[N]3CCC4=CC=CC=C4 | 593CC41F751C8645_447DA77C3ED7F1F7_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)COC3=CN=CC=C3 | AC41ABFD90DE79EB_67AD7FB233DD92B9_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N[S](C3=CC=C(C(C)=O)C=C3)(=O)=O)CC(=O)N)=O | E780413E1A1F7F5E_8E4102B0FF844B22_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=CN(CC3=CC=CC(=C3)C)C4=O)=O | 81E836E7E65279E7_8B3A080D222DF8D7_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N(CC)C)C3=CC=CC=C3)=O | 1F5E3924CE0649AD_0D445BEDD9BA5D6A_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCCC(=O)C3=CC=CC=C3 | 7FF092618A93A203_6193FA625581B7D1_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC(=C3)F)[S](=O)(=O)Cl | 8592C270D5993A48_AD76D04C8EFD47AA_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN4C(N3C=CC=CC3=N4)=O | B685E0216A4AA55D_0F229235FDA2DAB8_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(=O)C3=CC4=C(C=C3)CCC4 | 17EC6B57A6824C7B_5DCE632556A61788_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC5=C(C=C3)C(=O)N4CCCC4=N5 | ACD562B28E7C31EA_62C652600CFF8D54_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=NN(C3CC[S](=O)(=O)C3)C(=O)CC4 | 2553273BA1AD6F25_FFD8592568324A62_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C5=C(OCC4=C[N]3C=CC=C(C)C3=N4)C=CC=C5)=O | CBE9E4ADAFCDF574_E0BA908D7805B7BF_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(=CC3=C(C)[N](C(=C3)C)C4=C(C=CC=C4)C)C#N)=O | 3318E8C6C6BB4EBF_801C52BF8E6803C2_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC4CCCC(C3)C45SCCS5 | 03091938D06FACDD_BEC390B047366147_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)N4CCC[S]4(=O)=O | 1F4B27DB7F84A700_C231B072CB5FBEA7_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC4=C([N]3C)C=CC(=C4)[N](=O)=O)=O | F25BB62FCA0B55B0_9184FB36BF11310A_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)[S](=O)(=O)N4CCCC4 | 295AF53750B51570_2DB888573675C3F5_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C([S](N3CCN(C(C)=O)CC3)(=O)=O)C=C4)=O | D5D2BBA09A64D1FC_9311794E7AAE6A5A_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)[S](=O)(=O)N4CCCCC4 | 26E4C7428B9427B7_AD6B53E84697AABD_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=CC=CC3=NC(=C4)C5=NC=CC=C5 | 53C2EDAB01D26C31_70F12FB42BF2BAA3_6038_UN | 32 |
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)F | F65A4AA44C306463_550FC54644EA6876_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)OC4CCCC4 | A4B0186FF6B86F97_48AFB64F22D29053_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)[S](=O)(=O)NCC4CC4 | 14B8D863082E1893_F9C5A1C6AB070952_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC=C3)SCC4=NN=N[N]4C5=CC=CC=C5 | 272BA9180F9EF18D_F9E32B772F54C6E9_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC4=C[N](CC3=CC=CC=C3)N=C4C5=CC=CC=C5 | 6492574CA1603802_1A2DB8FFCFDB8323_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C(=CC=C3F)[S](=O)(=O)Cl)F | ED81BA173B900BDA_3D56562CA270918C_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](N=C3C4=CC=C(C)C=C4)C5=CC=C(C=C5)F)=O | 07B67146AB4446E4_7690D8F4CB96FC69_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(N[S](C3=CC(=C(C)C=C3)[N](=O)=O)(=O)=O)C=C4)=O | 4142A11DA225AD1B_11AE5851755EC0C8_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)N[S](C4=C(C)C=CC(=C4)F)(=O)=O)=O | 41C18DB8D9C847B9_BF566CB8BD51038E_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CS5 | EB43031DDDB06BDE_46173A86A5ADD83A_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)N[S](C4=CC=C(OCC)C=C4)(=O)=O)=O | 423769450C938529_541E001F3EC1A2D0_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(SC(C)C)C)=O | 78002D9F5B3FBAE2_C2E20D5911ADAF9B_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC(=CC3=CC=CC(=C3)OC)C5=NC4=C(C=CC=C4)S5)=O | 36F08B92AEB62EAC_E0707C7FD41C22BC_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C)S3)[S](=O)(=O)N)=O | 7233DE339A7D6D5F_9D6E8260AC46AA49_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)C(N(CC)C)=O)=O | 83C01154097225F1_773E667028290FD8_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CC=N[NH]3 | 09CDEC22297CB159_5EFD2F67EFE870C3_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC3=NN=N[N]3C)=O | 5EC83D748BE8775D_70091EC58CC7DD2D_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4CCCN(C(C3=CC(=C(OCC)C=C3)OCC)=O)C4)=O | 53FBA0183CF5A651_B2138E9EAD9201D2_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C(C)C)N[S](=O)(=O)C=CC3=CC=CC=C3)=O | FB70824F86E4EC17_C5B36FFD33AF05B7_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C3N=CC=C(C)[N]3N=C4)=O | B3D9B7C8B9D102B1_887A463EAE88B1DD_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COC3=CC=CC(=C3)C(C)=O)=O | B0A442F51619B456_D28FD6DB3101406D_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](N(C)C4=CC=C(C=C4)C)(=O)=O)=O | CCB25D622B78BEC5_27E4936E809FCE4B_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(OC)C=C3)C4=CC=C(C=C4)C(C)(C)C)=O | 9D8BF5B736033F2C_58F124CA124920AA_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[N]4N=CC(=C4N)C#N)=O | 8FA9556F2B4AD860_5868D4CB465BC3DC_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC5=C(C=C3)[N]4N=CN=C4N[S]5(=O)=O | 5F2014D7BD961DA8_4C3CB2BEB5DD7BED_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=N[NH]3)N)=O | B07FB83C579075A8_1BEE673A05673752_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(C)CC3)=O | E04D5300FC151A93_91FF0375EF8DC9E4_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCOC3=CC=C(C(C)C)C=C3)=O | DCD281148D38AE87_2F65EA2233FD6FBF_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC5=C(N3CC(C)OC(C3)C)N=C4C=CC=CC4=N5)=O | 8AE713BFE348236A_2FE5E665B8029F80_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C5=C(C)C4=CC=C3C=CC=CC3=C4O5)=O | 1EBD4E21E61B4232_F095C6D753C2F176_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(CC3)[S](=O)(=O)C4=CC(=C(C=C4)F)F | BBC10129B230E6A5_89F9F54A1C953C3E_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)OCCCO4 | 40BDE409942A5880_8433B1E6D6A84FC2_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCOC3=CC=CC(=C3C)C)=O | 3FEE493CCC1BA857_D32A665E269CA885_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC5=NC3=C(C4=C(S3)CCC4)C(=O)N5 | 97F78F0917107B13_87B9438B4007E331_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCN5C=NC3=C(C4=C(S3)CCCC4)C5=O | 2321DABBC166A998_09FDEB8730223CA9_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC(=O)C3=C(C=C(C=C3)F)F | 5CCCDF9B655ACDE0_1E4130FEDA264A52_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=NO3)C4=C(C=CC(=C4)F)F | 442F06D51222401A_67A4C712C9E34511_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3N(CCC3)C4CCOCC4 | 2997C300B4D62FA5_3377A68928EB688A_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C([NH]C(=C3C)C(OC)=O)C)=O | 8313EDA110A586C7_E696AB3BAB0291FC_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4(SC3=CC=C(C)C=C3)CCCC4)=O | 2A507335DBFF53E5_C95E95A9D6B7E6DA_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[N]3N=NC(=N3)C4=CC=CS4 | CBA2335BCEC86B5A_33C80710EEF1893B_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NC(=C3C#N)SC)C4CC4)=O | C93AEB349F58872E_34A0865283C09B54_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)N4C(=O)C3=C(C(=CC=C3)[N](=O)=O)C4=O)=O | 5E871ECF67DC08DB_D12D24C152B88052_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC=C3)N[S](=O)(=O)C4=CC(=C(C=C4)Cl)Cl | 75B881917811EDDB_59E3ADE43B73E44B_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC3=C(C)C=CC=C3)=O | F3C0EB4337101B52_37AF0ADFA05B395E_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)F)[S](NC4=CC=C(OC)C=C4)(=O)=O)=O | E126E6E28EB12F39_3248FDACC2F10A79_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN[S](=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)[N](=O)=O | B39F8AE703C930E1_3009635EE61AD697_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)OCC(=O)N4CCCCC4)OCC)=O | B2BB1F085EF3A38C_048E16BD8D894515_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C[NH]3)[S](=O)(=O)N4CCCC4 | F14AD04F6CDC05AF_0EA02B2E8864F78E_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC4=C(C=C3)N(C(C)C4)[S](=O)(=O)C)=O | B01AAD6191CBF642_A255606577C94AC5_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC3=NC(=N[NH]3)C)=O | CD4B8629F96480F4_8CB482515173F196_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3COCCN3)=O | 67F2C6A8FC65F1E1_2C019737E6C6F4CC_6038_DP | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C(C3=CC(=C(OC)C=C3)F)=O)C=CC=C4)=O | 515EA212C31E90AA_B3F1DBA91324231C_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(CC3)C5=NC4=C(C=CC=C4)O5 | 4333047B57C0EB04_9DF8E8193DCBFF75_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(=CC3=C[N](N=C3C4=CC(=C(OC)C=C4)OC)CCC#N)C#N)=O | 9D9159906EEBBC1E_1C233B25936E9BAA_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN=C(S3)C4=CC=CC=C4 | 8E5B775C0F11B386_A5468079C75FFA4B_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4CCN([S](C3=CC=CC(=C3)C(C)=O)(=O)=O)CC4)=O | C9E8AF837D87D03A_147A9B3664B063FF_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(OC)C=CC(=C3)[S](=O)(=O)N4CCCCCC4)=O | 6C110D83097439C7_67DB3881B6AE0E40_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CCSC)N[S](=O)(=O)C3=C(C=CC(=C3)C)C)=O | 7DD02BFCDA123C74_B58B98F6287D1E52_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC3=C(C)N=CNC3=O)=O | B05B35669664B48F_3F1DCF335F7D7F1A_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(N=C(C3=CC=C(OCC)C=C3)S4)C)=O | B17A52C38BB6C287_EA0A8E65A4223290_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)OC4CCCCC4 | 54B38D9D8041C55B_C31561CFB795B464_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC3=NN=C([N]3C4=CC=C(OCC)C=C4)C5=CC=NC=C5)=O | 4681BEE764D25843_17797072D8DD33EA_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CSC4=NN=C(COC3=CC=CC=C3)[N]4CC5=CC=CO5 | 128A440A77A5C442_B0376C0100333A2E_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(CCC3)C#N | F69A4368042351F6_DE2A46798A981733_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)[S](=O)(=O)NC4=NC=CS4 | C8A7FED7C018DBB7_A428C12B4ABF6B7F_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C(NC(=O)C3=CC=CO3)SC5=C4CCC5 | B6906319A54DDD0F_C5A0280506012AB9_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)N4C(=O)C=CC4=O | CE18D30023869B87_476F69E87185B9BA_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C(C3=CC(=C(OCC)C=C3)OCC)=O)C=CC=C4)=O | 4CF5C3F51F830A07_3A5DD2CC088F8E4B_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)COC3=CC=C(C=C3)[N](=O)=O | 70EF07E9D7CA14D2_3A84E64A107478DC_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[N]3C(=NC4=C3C=CC=C4)COC5=CC=CC=C5 | E683321B9A37A2EB_E1E322FE6EFA08E2_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C5=C3C=CC=C4CCC(=C34)C=C5 | 9B2C569CAF5FC19D_01BB5E495F427ABC_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=C(N=C(SC)S3)C)=O | 3FEF1C3AAF185F59_EF48D479930CF20C_6038_UN | 25 |
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