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)C(N3CCOCC3)C4=C(C=CC=C4)F | 71D3264DC6A429F4_88BB6D6AC3522BEB_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)CCC3=CC(=CC=C3)F)=O | 79F7FE81114898D6_922F7D71ED75F85D_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC3=NC(=NO3)C4=COC=C4 | C61AE1A746E97C29_9E1B1560AB00D6C6_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCN(C)C3=N[S](=O)(=O)C4=C3C=CC=C4)=O | 9A4CFF32D33B18EC_D6717074B19B9B83_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC3(C4=C(OC)C=CC=C4)C)=O | A8C7EB84FCDB4196_00D2147CFB36F5EC_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(C3=NOC(=N3)CC(C)(C)C)C=C4)=O | A4F829F7D218EE81_DCCE26E828FEBE41_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C(CCC)S3)=O | 2457F6742ED729EF_B32DC1042293122F_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)C3=CC=C(C)O3)=O | 72E1667BDC142082_C1FB89D64E795FC9_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NC4=C3C=C(OC)C=C4)C)=O | 157AD85F83A9B668_B7FBB91F79F51B58_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)CCC3=C(C=CC=C3)F)=O | 1EB84872E8E070DA_E82D9B798473C3AE_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)C4=NC(=CS4)C)=O | 7623B3EDBB3F5BC0_73B4DEF1A0A6BF89_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CC3=C(C(=CC=C3)F)O4 | 215C4414F97C8E94_4C5FD314B566F04D_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C([S](CC(N(C)C)=O)(=O)=O)C=C3)=O | 180F1DF7CCC23014_5E464E6B13D54D7F_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCSCC4=NC3=C(C=CC=C3)C(=O)N4 | F612FB4C001AF022_696CDBE601C6D406_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C(C)C)C=CS3)=O | 9D158820347B2715_3C55C9BF5CB8CF7D_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=CC=CC3=CC(=C4)C#N | 546A3D28C1FD6CA5_B6EDB26C5DD13EAD_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[NH]C=C3C4=CC5=C(C=C4)OCCO5 | 0BCFBD29C1F36137_9123B0990730AAA0_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CN(C(C(C)C)=O)C)C=C3)=O | 94F71B32DA0829B0_C391AAAD5F41F624_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C([S](NCC(N)=O)(=O)=O)O3)=O | 32863D34C14AB61A_93C4AF4CC451C812_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(N(C(C(C)(C)C)=O)CC3)C=C4)=O | 9F37E269EFEE3C01_3554ABDF2FABAC9B_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(CC)N=C(N=C3)C)=O | C71C5517613B5919_CA06598C7DBCEB0C_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC(=C(OC3=CC=C(C(C)(C)C)C=C3)C=C4)F)=O | 133E718F2BC690F7_1305D430867C8C61_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3OCCN(C3)CC4=CC=CC=C4 | 7DC8F750EE8DC040_B710FA7306939715_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(OC)C=C3)[N]4C(=CC=C4C)C)=O | 8DC316B87E8A73CC_C7C23209B9F27F3C_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCON)=O | A044FFD6C2727878_0F8AAB05D54E7352_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3=C(C(OC)=O)C=CC=C3)C=CC=C4)=O | C88762CE50848A27_4152234604413347_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[NH]N=C3C4CC4 | 8BC2A1174206EA7E_F1A71B206F9C8C30_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C3CCCNC3)(C)C)=O | 845B07E5715DCE0F_A432F9ED4A67866F_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CN=C3C(=CC=CN3C4=O)C)=O | AAE4E7192DE7244F_532B020EAC618B5D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CC(=CC=C3)OCC4=NC=CC=C4 | 6151AB31174F4B72_5FCB1F5017878D6E_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CCC3 | 5AABCB540BC6A079_31032F383CC2034C_6038_UN | 20 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)C(O)=O)=O | 8E47FC7EFC0017E4_C66C422CBE4FE02C_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC(CCC)CCC)=O | 33AA10132EB3CCF5_A508DECA37741129_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(ON=C3)C4=CC=CC=C4 | 4194C93F9CD2A3CE_AF3930E288694AB4_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CCCO3 | 3BD6B3D7B69414E5_32653A8B88314D30_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C4[N]3C=C(C)C=C4)=O | 6700A4BC0DB40907_103CB0B576FED564_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4COC3=C(C=C(C=C3)F)C4 | AE5CA377626BD16D_62B38D7ED3C80742_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COCC3CCCNC3)=O | DF5045256FB779BD_64D6577336A57411_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC)CCCN3)=O | 239AD66E80B1A2BE_D1290A583F32922B_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCCN3)=O | 90E5FF6093EA8B97_ED2CAF7C8D4AADA1_6038_DP | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)C4=NN=CO4 | 860BEA2D5B81FE7D_E7AB7611A575C767_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C(C)C)[N](N=C3)C)=O | 35EB3BDD48D33EC3_7406798F7FC0A4C5_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)F)=O | 0B7403E7E9D26F11_38E7900888F37BE0_6038_UN | 20 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)C3CCCCC3)=O | 9BFE02FC40B0F623_C08227D07C25E785_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C[N](C3=NC(=CS3)CC)N=C4)=O | C0E3F36BE54A33EA_5E3ECFFC83751A1D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC4=NN=C(C3=CC=C(OC)C=C3)[N]4N)=O | 2FFC832C057629E2_DB3B32A030B153BE_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=N3)N4CCN(C)CC4)=O | DC8D03670221E834_645BC60B103322C3_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC(CC(OC)=O)(C)C)=O | 01DA43310B13A765_6BF91311FC127C09_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)SCC)=O | E613D795597750E5_621419CD8D74D5D0_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N(C(C)C)O)=O)=O | 280914CB09681D78_CE67853C93A59543_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=CC3=NSN=C3C(=C4)[N](=O)=O | 1549479E8282BA3B_4B2EA1864A284FA2_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](CCCCC)C4=C3C=CC=C4)=O | A118D421576CD894_05890BA263ED40A7_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)C4=NN=C(COC)O4)=O | 701EEB5AC5DA8C26_C5C647FD3149FBC3_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=CN=C(COC3=CC=CC=C3)S4 | 949B7DF3BE47FEE5_C0EC2152F2901DF1_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(OC)C=CC(=C3OC)[S](=O)(=O)Cl)=O | 1FCB9FA18355F8F0_A9538019A174060B_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C(C=C3)F)[S](=O)(=O)N5CCN(CC4=CC=CC=C4)CC5 | 1B081E5D010074C4_9E8B6B2992401D91_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC3CCNCC3)=O | 7D44D9C274D75D1A_7DE787A7D15C25FA_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=CC=CC(=C3[NH]4)C)=O | 5D543BAF9F8F931A_A2E5F0605D8DCFFF_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=NC=CS3 | 1154376C6A359E3E_B5A5F17A20848D44_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC(=NC=C3)C4CCCC4 | CEE2013E6F55432F_39C1AD9C7EEB8979_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)C3=C(C=CC=C3F)F)=O | 35ABE84A0290A0D5_FEE4B73CCDB240B6_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(OC)C=C3)C(C)C)=O | E3B0B974CAD68E5E_3D4597DC5E7523D7_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C(C=C3)Cl)F | 87A9600B621558A2_87714020A7C744F9_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NOC(=C3)CN(C)C)=O | 698A9B10997080C6_75DB87C4358B7FCC_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=C(CCC)CCC)=O | DB27380836BF1828_78A5C880AE88D272_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C(C)(C)C)CC=C)=O | 36028FEFF308DAB2_973BC2FE4DBCAD4C_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(OC)C=CC(=C3OC)SC)=O | C952E18D1CD473D5_D5A681945C43E4B0_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3OC=CCC3 | E513F4EA2FD81C07_F54822FC4463336B_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)C4CCCOC4 | C8EE091799963E8C_296F8C51B9D656A7_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC(=O)C3=CC(=CC=C3)F | 468795CDE636FCB7_B11979AF1DDFBAAB_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NC=CC4=C([S](N)(=O)=O)C=CC=C34)=O | EBD10ABA1946F94B_8821BECE7DA8C84D_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3F)OC)=O | D2CFA913EEB1B79F_E54CF6BAEA5AA3B6_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C5=CC3=C(C=CC=C3OCC4=CC=CC=C4)[NH]5 | 4135284CE7004AB6_C2671976999F17EA_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C([N](C(C)C)N=C3)C)=O | 85E00D2105935030_AEF38EEB79C351C9_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CC(=CC=C3)OCC4=CN=CC=C4 | 0CDE2913A246E0C3_2B94A9155893EEAB_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](N=C3CC)C)=O | 7EE2D21BE5EBF4F1_1DF56BC5FE98BAE8_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NOC(=C3)COC4=CC=CC(=C4)C(C)=O)=O | A4AF4CD4829BA31F_993D390FDC272183_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(C(O)=O)C=C3)=O | 1415F1951D95826F_95D919C087AACCAB_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3)C)SC4CCCC4)=O | 0EEBEB1902DEC22F_2A7B50617586BC66_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=N[N](C(=C3)C)C4=CC(=CC(=C4)C)C)=O | 24894B2CEB23109A_8DDEA5A88131807F_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=C(SC)C=CC=C3)=O | 648ABBCD13F45A1A_252ACABC001AB732_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN3N=CN(C)C3=O)=O | 3F01EBABBAB6DC40_46B1611530AF0B9A_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NN=C(S)NC3=O | 280986C3D273DEAF_FF7DFB30AC7F42CD_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C(OCC)=O)F)=O | 121A319462E1B7AB_F49BE6436EA21DD0_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C[N](C3=C(C)C=C(C=C3)F)N=N4)=O | 44D8BD97477C5D0F_35D1F41C83BEE048_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=NC=C(C)S3)=O | 4B60CCA26713D9B0_771309633DBCEFFC_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=C(C(=C3)F)Cl)F | B8CCF174555558A7_5062E0F05B9D4B7A_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC(C)C(CC3)=O)=O | F1FEEEE788179D26_13DCDAD228EE60E6_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CC=C(C=C3)OC4=CC(=NC=C4)C#N | 4042625BDFFE55E9_049BE098F888BA78_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN(C(C)=O)CCC3=CC=CC=C3)=O | 18C31D9B07AA1B60_2D092F7CBA7DC0C6_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[N]3C=NC(=N3)C4=CC=CC=C4 | 58ECC1B48F22F7EA_EC21D498C5700865_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC[N]3C4=C(N=C3CCC)C=CC=C4)=O | 4E227438A08E35BA_5A58F2827326B465_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC[N]3C5=C(N=C3C4CC4)C=CC=C5 | 341BC77016D816A1_6C5C78260BE19EFB_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CCCCC)CC)=O | 4D1B210D27D9D3E3_E2A9AEEF27A762C1_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(S3)C4CCCCC4)=O | A00D5FF1E42A12FA_686FD80CCFA8FD2A_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CNNC(C3)=O)=O | 44145C775BD78883_413FB614D185C5B9_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C[S](C(C)(C)C)(=O)=O)=O | 6BA57778EDF39BE5_2301F217ABDC0404_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC=CC(=C3)[N]4C=CN=C4 | F5C1BC009B75F21D_235FE088244B6E6C_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](CCC)N=N3)=O | A391E5DF53D70AA5_005AFCE0130B2BB2_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)C=C(C(=C3C)[N](=O)=O)C)=O | 4B6D690719AA0577_4FD51554837C9F0E_6038_UN | 28 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.