product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"21C395D5BE111ADB_F61775C07A43D99D_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC[C@H](C)N" | 21 | "04826056A9494BBD" |
"D63A7BA6AEAB5871_CD8AB7BD68220B6B_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H](CN)N" | 21 | "04826056A9494BBD" |
"92548452894B4AF9_35B4D4E4B2FD50B1_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(N)C#N" | 21 | "04826056A9494BBD" |
"B74E18BB1AF79EB1_033EEA38CEDC962D_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC#CC" | 21 | "04826056A9494BBD" |
"634CBF9A6170C784_EAFC41B834D635F1_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2(N)CC2" | 21 | "04826056A9494BBD" |
"6979C040BA890FAE_0274008DCA980D9B_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCSC" | 21 | "04826056A9494BBD" |
"800A79BE2EFD721D_A86CC5AE65AD4C4D_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(=C)CBr" | 21 | "04826056A9494BBD" |
"15BB2A574728E6F7_CF79541101F073D7_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(F)(F)F" | 21 | "04826056A9494BBD" |
"46D5580E47A28DFA_9EC236BB73357CD5_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2CCN2" | 21 | "04826056A9494BBD" |
"6A34F6338FC551C0_CDBB2601312D54D8_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2(F)CC2" | 21 | "04826056A9494BBD" |
"FB862FFA3C6F7011_CCF3B3C8D846FE25_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCNOC" | 21 | "04826056A9494BBD" |
"3A98A14C5406D21D_F4C5E87B4213F38A_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCNCC" | 21 | "04826056A9494BBD" |
"77FEB8F0DD51151D_A1C12D8AEE250215_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H](CC)N" | 21 | "04826056A9494BBD" |
"8D5F7AE971805622_68F65B4E1B4DD1BA_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)(C)F" | 21 | "04826056A9494BBD" |
"353C927644A8CA20_B274890EE4E26341_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC=CCN" | 21 | "04826056A9494BBD" |
"86BDB7E1631DD559_870A8B72D43CCAAE_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H](NC)C" | 21 | "04826056A9494BBD" |
"28B114EAF80EF1DD_8018C8B490F21F15_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(CC)Br" | 21 | "04826056A9494BBD" |
"69FAB35A9E1678A9_DC79C920271EB165_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC#CBr" | 21 | "04826056A9494BBD" |
"D5FA6EE3AB3FC023_3F2DE907895D183A_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2(Br)CC2" | 21 | "04826056A9494BBD" |
"925B6691421E2937_3EA724C4690B0287_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)(C)S" | 21 | "04826056A9494BBD" |
"62BE493A73D7347D_0A286BFD778F46F2_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(F)(F)Cl" | 21 | "04826056A9494BBD" |
"C326F1F3E63A34AE_DD25C7708D4EFD56_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)(C)Br" | 21 | "04826056A9494BBD" |
"7691BAE586634405_05C7036706907499_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCON" | 21 | "04826056A9494BBD" |
"B7A720097E7848F3_DB25FD01A22E2CEA_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(SC)C" | 21 | "04826056A9494BBD" |
"8B74A2AC1A4B2E91_FAD2F1E2295A8DC6_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(CC)=C" | 21 | "04826056A9494BBD" |
"3E9932E2EC228F71_214E93F44C025954_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(=C)Br" | 21 | "04826056A9494BBD" |
"5B25921E8F8A1AF9_0F47AA428938E3CA_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(N)C#C" | 21 | "04826056A9494BBD" |
"9BBFA4BF91518E22_75C42850073836BD_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC#CCN" | 21 | "04826056A9494BBD" |
"00DF3358F685048F_7E87F6CBB64EEA6F_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(CC)N" | 21 | "04826056A9494BBD" |
"ECFBC439717A4AFA_7F3F78D80ABD17B4_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC=CBr" | 21 | "04826056A9494BBD" |
"0CEFDD5B8674F55D_E87E3E76C7EF803F_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(N)CN" | 21 | "04826056A9494BBD" |
"1102B5C25C21391C_7ED15FE264102029_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H](NC)C" | 21 | "04826056A9494BBD" |
"62D406CB8847B377_F945C047FC54DAAC_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2(C)CC2" | 21 | "04826056A9494BBD" |
"634CBF9A6170C784_39CCD87320B08473_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2(N)CC2" | 21 | "04826056A9494BBD" |
"DCBDACD8763DB9F1_218A3B6BE7210E69_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H](CN)N" | 21 | "04826056A9494BBD" |
"5B36551C1C653BDD_BE21E82B0384B9C1_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCCN" | 21 | "04826056A9494BBD" |
"8534D76AEA79FCAE_AA9604CE5DA9DF0C_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(C)=O" | 21 | "04826056A9494BBD" |
"493DEFB92B8121D6_93145E30D2BB844D_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(C)Cl" | 21 | "04826056A9494BBD" |
"7AFF4B5F4D7955D7_D33E55C71CC10503_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)(C)C" | 21 | "04826056A9494BBD" |
"BBFDCEE94FD5F22B_29E94632D671EBA4_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2CSC2" | 21 | "04826056A9494BBD" |
"B51545FB0B7965CA_C1F37392B33188D0_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2OC2C" | 21 | "04826056A9494BBD" |
"F75FD32A28980EA7_EC94529325717096_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC=C(Cl)Cl" | 21 | "04826056A9494BBD" |
"3323F077F8AE47D4_01D533E5D6EDDDF0_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCN=[N]#N" | 21 | "04826056A9494BBD" |
"83CD98FE62B7B59B_E8EA8CE20AB1381A_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC=CCC" | 21 | "04826056A9494BBD" |
"00DF3358F685048F_445367CAB14631C3_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(CC)N" | 21 | "04826056A9494BBD" |
"AD43B01D4B0C1911_1F04DF8BD769AF9C_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(F)(F)Br" | 21 | "04826056A9494BBD" |
"6EABA6712935F4FC_944B72726BE1B3BD_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H](N)C=C" | 21 | "04826056A9494BBD" |
"77FEB8F0DD51151D_BC4D75E298D02BD4_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H](CC)N" | 21 | "04826056A9494BBD" |
"32FEC54B714B8AC9_51B72548CA7D2497_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2COC2" | 21 | "04826056A9494BBD" |
"2277D1D0A6F206D4_1E2644BAAAF441EC_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)(F)F" | 21 | "04826056A9494BBD" |
"1A82B50F0336F785_7840333124737025_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC2CO2" | 21 | "04826056A9494BBD" |
"D6BF61907B0BADC8_D561848C5478D28E_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC#CCC" | 21 | "04826056A9494BBD" |
"49D441A9F444DA46_3C88D01AFC99A3E4_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCN(C)C" | 21 | "04826056A9494BBD" |
"89381CA7382C2CBA_BE79AC6AFDD9994F_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCCC" | 21 | "04826056A9494BBD" |
"EE3A0B274E4DB2FB_8C152884E5137D7E_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(C)C" | 21 | "04826056A9494BBD" |
"AE071D5440530A5F_7260C956194EF83D_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCCCl" | 21 | "04826056A9494BBD" |
"46D5580E47A28DFA_D93F1A86D0068CB7_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2NCC2" | 21 | "04826056A9494BBD" |
"6DDF9A962B635328_C9C870B0990DB593_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H]2C[C@H]2C" | 21 | "04826056A9494BBD" |
"F5C3B945CB9A2C31_2809ABF60F8D1531_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCC#C" | 21 | "04826056A9494BBD" |
"581CB449291BFC5B_7E53BC08C066B334_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)(C)N" | 21 | "04826056A9494BBD" |
"DFF7F8E4F47BC7E1_FB0999B7C106A139_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H]2C[C@@H]2C" | 21 | "04826056A9494BBD" |
"0D0ADB975274B981_A9029B9D383E501E_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCCF" | 21 | "04826056A9494BBD" |
"4E4FC96DDC69E57D_22EF3E44D6C291A8_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H]2C[C@@H]2Br" | 21 | "04826056A9494BBD" |
"28785F0ACF71FA55_42232278E0CC0988_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC=C(Br)Br" | 21 | "04826056A9494BBD" |
"7C91E23FD859F183_AAAE6CB71D4E5BB5_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2CC2=C" | 21 | "04826056A9494BBD" |
"DCBDACD8763DB9F1_4BE315BBF7930ABB_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H](N)CN" | 21 | "04826056A9494BBD" |
"21C7F92B63993B2B_AD4CD66053950A18_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2CNC2" | 21 | "04826056A9494BBD" |
"B538958969600C6D_19B06A3CD3532130_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(F)CBr" | 21 | "04826056A9494BBD" |
"4F003FD24088CDF3_9BFD0451A823EC81_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCNC" | 21 | "04826056A9494BBD" |
"8804AB0BB7020479_51168286326F3D5A_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(F)F" | 21 | "04826056A9494BBD" |
"48A8092912501B61_4CCE905C1DC0D45A_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(Br)(Br)Br" | 21 | "04826056A9494BBD" |
"29DFFC77B96EE0A2_2C3E33F3A2187A5C_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC#CCBr" | 21 | "04826056A9494BBD" |
"4D56604848B3D9A8_C0DAF92C24E8DFE0_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H]2CCN2" | 21 | "04826056A9494BBD" |
"94A3AE8F77C08406_CFD8084511D8FEFD_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H]2C[C@H]2N" | 21 | "04826056A9494BBD" |
"DEDEAC0E6A6BF583_9121E85557C00F33_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H]2CCO2" | 21 | "04826056A9494BBD" |
"DB258A7E57A4AA5B_35F75CB184C783B4_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H](N)CF" | 21 | "04826056A9494BBD" |
"57637396AE62EB0C_56443C108E10C072_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCC(O)=O" | 21 | "04826056A9494BBD" |
"B7E82008951863BC_B9E72BB336104911_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCOCC" | 21 | "04826056A9494BBD" |
"E5221866362F616A_69F6BA299826711C_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCN(C)N" | 21 | "04826056A9494BBD" |
"6E433E42B9D1EA7B_FF607EB4B00D797C_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H](C)CN" | 21 | "04826056A9494BBD" |
"0013C9005FF2183B_FCEFE6B37E2D99DC_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(F)CF" | 21 | "04826056A9494BBD" |
"865E72275F75435F_BAC63C2A0DF197AA_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2(C)CO2" | 21 | "04826056A9494BBD" |
"132DCEF71D21198A_13ED65BBC2458C4B_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@H](CN)F" | 21 | "04826056A9494BBD" |
"8C3DFCC6D2F6F77C_593A6A2E9A8BF844_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC=CCCl" | 21 | "04826056A9494BBD" |
"21C7F92B63993B2B_528082E8145F7FAF_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC2CNC2" | 21 | "04826056A9494BBD" |
"D1953D5F88E6442E_8A9ED40DB1EE74E0_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC#CC=C" | 21 | "04826056A9494BBD" |
"96AE0C52E946D774_679F66D0D89DE970_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC[C@H](C)F" | 21 | "04826056A9494BBD" |
"0CEFDD5B8674F55D_39164B89B20B9DF0_6031_DP" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(CN)N" | 21 | "04826056A9494BBD" |
"583E6332A68669C0_0E1373AC5E7137D3_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H]2CCO2" | 21 | "04826056A9494BBD" |
"C10774CB64753785_1AB0F9F6F06FD532_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCCCI" | 21 | "04826056A9494BBD" |
"E3374A80F83A4AF7_FD7D0E2BDF89066E_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC[CH]=[C]=[CH2]" | 21 | "04826056A9494BBD" |
"06A36297EEDADC93_27E3B2BE37B60C6F_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H](OC)C" | 21 | "04826056A9494BBD" |
"DC3C5BB94C3F4EAA_ADC0BB9585456B2B_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H](CC)C" | 21 | "04826056A9494BBD" |
"F41123028A63A982_0AB1752570B83BBA_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CCOC=C" | 21 | "04826056A9494BBD" |
"94A3AE8F77C08406_4F659CFBCD1E5B7B_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)C[C@@H]2[C@H](N)C2" | 21 | "04826056A9494BBD" |
"F8E15EECF81D89E1_153810C1F201F802_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(C)CS" | 21 | "04826056A9494BBD" |
"23134521525DFB73_1272E5A2FE6ED5E5_6031_UN" | "O(C(=O)CCC1=C(C=CC=C1)OC(F)(F)F)CC(=CC)C" | 21 | "04826056A9494BBD" |
"87CED29CE3DA4F51_CF0EC07204E4F9AD_6031_UN" | "CC(CC(=O)OCC1COC(C)(C)O1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"8235AC485B83B790_D6318BE3B30CFBAA_6031_UN" | "CC(CC(=O)OCCCCCCCBr)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
"4F876D246285F884_660D463F90DBEF44_6031_UN" | "CC(CC(=O)OCCNC1CCCC1)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.