smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC(C)C1=C(SN=N1)C(=O)OCC2=N[NH]C3=C2C=C(C=C3)Cl | 6B39CCED1E329DA1_0376684932F18CA5_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC3CC2(CCCC2)CN3 | 0DF738E1AFCDDDC0_6241377704FEC1AE_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=CN=C(C=C2)F | A531F2BAC9015FA0_8497CE415DDF5BED_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)C2=CC=C(C=C2)OC(F)(F)F | 91537D7E0EDC6501_DFEF6EB992925A01_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N=CN=C2Cl)Cl | 01550485545BB7C6_DC07E5FDA3AF9C6E_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)C2=CC=C(C=C2)C3=CC=CC=C3 | 7688A25CDE85CF6A_B8C95CB548470B37_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCCNC2COC2 | 1BAFC89BA2A565D7_1C23160663C7A4D0_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@H](C)C2=CC3=C(C=C2)OCO3 | 3C85ED1F587F23EB_923C9779F982A920_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2C3(CNC2)CCC3 | 5484E63AC1877C48_C3D2D5E3E8F5D498_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCCC3=C2C=CC=CC2=NC=C3 | E3E8F61FB7870E55_4DFA069F7EA16AEC_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCCCC(CC)N | A654CD3FB0CE7269_E84AA7BCCCE17B9F_6031_DP | 18 |
CC(C)C1=C(SN=N1)C(=O)OC[C@]2(C)COC[C@@H]3CCCN23 | F3177D35CB15B177_9983C1CDD6D8BDCE_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC(CN)(F)C2=CC=CC=C2 | 5FFD3D6069505AE2_40E6ABFA446597A7_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N=CC(=C2)Br)F | 46B92CB3518BA553_A6F79B8CFE80E5D3_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2(N(CC(C(OC)=O)OC2)CC3=CC=CC=C3)C#N | 237593304CC4DDB4_DE63AC266242531C_6031_UN | 31 |
CC(C)C1=C(SN=N1)C(=O)OCC[N]2N=CC3=C(N)N=CN=C23 | 31245B7186D06308_E52B11EA6C8D3383_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2[C@@H](C)C2(F)F | 41CBA20268A07A5B_72C9405E7CAB459C_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC3(CCC2=C(C(=C(C)C(=C2O3)C)O[Si](C)(C)C(C)(C)C)C)C | BA0EE9A68A5DD3D3_63919002DE572884_6031_UN | 34 |
CC(C)C1=C(SN=N1)C(=O)OCC3=C[N]2C=CC=NC2=N3 | 6B01ED41EA45868B_AB2D02B2DA25466F_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(C(C)(C)C)C2 | 266E0BB92D03F15A_44FECAB279751AC1_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2C(N(C)CCN2)=O | 7C6A7DE2F3FB3CE6_55D8CDB192C0011C_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC=CC2CC2 | 3D241C3BCAE8CDE8_92525A5393DD093D_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC=C2CCNCC2 | 85E477CFAEE388C9_607409980128E1FE_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC=C(OCCOCCOCCOC)C=C2 | CF84D252F7D0A974_78AD416D4B26C145_6031_UN | 29 |
CC(C)C1=C(SN=N1)C(=O)OCC3=C[N]2C(=CC=CC2=N3)Cl | D74A7FA573403476_A31204F428A0394E_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2CCCC[C@H]2O[Si](C(C)(C)C)(C)C | 995224B4DBDF4574_9A770527C164ABE7_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=C(C=CC=C2)OC(F)(F)F | A13DF82C1315880C_AB95B462956FBE5C_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C=C(C=C2)C(F)(F)F)Br | EB80BA6EC285C087_464C6EB3AA66A8B9_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=C(C=NC=C2)Br | 5549141DF5BFD741_CE9EB144CCE28F4C_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=CC(=C(C=C2)F)C(F)(F)F | F72AFDD827B9D80F_341FDB8422F99B26_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@]23[C@@H](CNC2)CCO3 | A11EEB56E78258BE_277C352DFC9B3CC1_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CF)CCC2 | 5B8161E530EAE491_9122174511168D4D_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCI | B4AB6B7CE8DF1F88_C2FD07D2B33ABEA7_6031_UN | 14 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC=C(CC)C=C2 | D21D1C808B6BC91A_4AC7D7052FE3A1D1_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC=C2CCOCC2 | 19ADC1E35CCAFF94_E4F5CE29841F442A_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC(=CS2)Br | 523EE55448AE7AC5_CB547543421973F1_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCNCCCN2C(OCC2)=O | 3BF395250E2792DD_DB297A6C83559313_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2[C@@H]([C@H]2C)C | D49CB0B4AE53988A_E8D718183F707DBE_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCCC(N)C2CCC(F)(F)CC2 | 489FE73A9856697B_BE789351DE06198A_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H](C)N(C)C2=C(C=CC=N2)F | 6F1AF498280AF53F_5061961BC63D70E9_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC(F)(F)C=C | 655C637DF683FBFA_D513A4BB1D61CEA4_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NOC(=C2C)C3=CC=C(C=C3)Cl | EFED841AC47CDBCA_FEB8E7AD7C4080E5_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(OCC)C=C(C=C2)Cl | 985F926564173D5B_792F87FB6654D97C_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCSCCCl | 9CFE18BFBA20B833_5E818FAFDC89DC89_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCCCC2=C(C=C(C=C2F)Br)F | B1D6D42E763571B0_BC319DB47D63902C_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C(=NC=C2)F)F | 3AABB084717F2021_284B4A00DB3A5FD7_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=NC(=N2)Cl)C | ABC6242DE5F9CE86_0AFCF1182B9C7264_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCCOCC2CC2 | A4B31DEE8817C4C2_819800E1A2E5F87B_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(C2=CC(=C(C)C=C2)C)(C)N | 710159D241427C61_28948A45E992159D_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(C)(C)NC2 | 4968BD125415600B_CCA1D9DD08A2DF80_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCCC(C2=C(C)C=CC=C2)N | BF5AD8E7E32E4271_7E870F170052E122_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CSC(=C2)Cl | 4FC5CD282ACD586F_AE4A3A394BD6B537_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=CSC3=C2C=CC=C3 | 11E8CE4839D78C8E_5A295AF959061C56_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC(C)(C)C2=CC(=NO2)N | 004F7D10A1F228C4_76E12E0D13082550_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCCCN2CCNCC2 | 56142084B929F2F1_09F6D80CFD0C1828_6031_DP | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCC(N)C2=C(C=CC=C2)Cl | CBCA14EA7F9105EC_0DD233998630FD54_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=C(C=CC=N2)Br | 688C884C3A94B613_763C927496448989_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=CC=C2)C#C | 383B3FA0E14C83D0_6115FEEF72459E27_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)CC2CCOCC2 | C710C3180C3B86CE_3AF28BE6945A176A_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC(C)(C)CCC#C | AED2B58F8F2BFAC5_73A514A0CA542EC2_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(C3=C(OC)N=C2C=CC=CC2=C3)N | 766A038F39469D69_EFA25CE89266BF06_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCC(N)C2=CC(=CC=C2)F | 67B9CD9D786BDB15_164145562482B0DA_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=CN=C(Cl)S2 | 8F1E667BD5B0642B_CB92E9AF725EAEEA_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(CN)C2=CC=C(C=C2)Br | 979E57B01E0E9130_C48FDB15E5AA0DF2_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N)C=CC(=C2)F | 1809F27170E3916F_FF5A546FD3FF464B_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(C)(N)CC(F)(F)F | 369A922DF600C1CD_B7902A9460106649_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCC(C(C)C)=C | 4A80ECBC09C33238_FE0EE8CC0958847B_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCCO | F78491175EC20A83_D6A44A1FF14A0EE2_6031_DP | 15 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=C(C=C(C=C2)[N](=O)=O)Br | CF5A4C1C2AAA4D5C_3EB6EC1C2C6C28DF_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC[S](=O)(=O)C=C | 7304D6AD007F84DA_FD55645185055F64_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C=C(C=N2)Cl)Cl | 22AFF80C42C01D73_8A895070C03C68D3_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2NOCC2 | 26FCDB589A10E07C_15A5813F7E459CCB_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC23CC(C(OCC)=O)(C2)C(O3)(C)C | C7D1AA36B846E638_91CF49E31CE3069F_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H]2CC[C@@H](CC2)C#C | 556D06FECDEDAF3A_B94BB87C6AE8D9EA_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC23CC(C(OCC)=O)(C2)CO3 | 3AE871E8555CE9A8_E052BE0A4B7AA967_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(C(C)C)C2 | 66C5AEAF9E2A7C81_83A4A75F0F400096_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCCO2)C3CC3 | 13B4888F3E6DA459_96C1B6F575B021B6_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC3=C([NH]2)C(N(C)C(=O)N3C)=O | D9657225339AA8E7_404DBDF3A70B9521_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@H](C(O)=O)N | 7B8743B9A5AAF0A1_43C8F9BF8B79F024_6031_DP | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C)C=C2Cl)Br | 41E0EA9F37C0108C_B243BA078114BA64_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC3CCCN(CC2=CC=C(C=C2)I)C3 | 12C7BD6B705564CA_9A3AF2388391B2ED_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCC2(COC)CCC=C2 | 52D6F5BD4CC24610_891FC4C5A2B8EE3C_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCN2CC(C(C)C)C2 | 3AA0944FF85DBCD9_85DDE7934F10283A_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCC(CC2)C(F)(F)F | AD8A6D18DD366ACF_401D43D34717D0D9_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(CN)C=CS2 | 6109D0C1A505FFB1_443D1E1300F13E7A_6031_DP | 19 |
CC(C)C1=C(SN=N1)C(=O)OCCCC[N]2C=NC3=CC(=C(C=C23)C)C | 7EB9EB1DA172A66A_1B6650597D460963_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCNCCO2 | CF36260700FA8D2D_E1C662C348F5C020_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CN(C)C)COC2 | E33C102DA4B32BCD_8A93F046DDC8419B_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=CC(=C2)F)C(F)(F)F | E30D65808F697501_CB15F8749C74D38C_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2COCCC2(OC)OC | 93A7E2EB2A8BD980_CA9B0AAC8BC0CD5A_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C[NH]C=N2 | 90C84C4BBA95E777_9EE11BAEFE0C6C8B_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCCN2CCOCC2(C)C | A87B7113134C6B22_39CCD6432118178C_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NOC3=C2CCCCC3 | DAA166AB6AF532B0_FBFBDFBD4350DAA2_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2(N)CCSC2 | 511AADEF149431B5_9983564EBEF42A68_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCOC2CCNCC2 | 8A23F28AC25099F6_A04669D42DDE97EF_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H]2C[C@H](F)CN2CC3=CC=CC=C3 | A4D363607DF2A3EA_2D769FDAF2FE2847_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C([S](C)(=O)=O)C=CC=C2Cl | 22F9E42FAF78DAEC_BC49C46BA5E7E125_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2CNC[C@H]2C(F)(F)F | 5094400A501F5997_AB48DBFDF7431E8B_6031_DP | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CN(C)C)CCCC2 | 212D55CA73F5C403_1A15B9C2661345AF_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC3(CN2CCCC2)CC3 | 6CCA1CDFBBC2D1F9_B318BD5369E9FEA2_6031_UN | 21 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.