product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"9CD68544F37718FB_D74FED8F4266CABA_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(F)(F)C=C" | 21 | "0BB23A64081A1340" |
"3530F1AED5E8EC69_5CDDC69B838ED897_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCSCCCl" | 21 | "0BB23A64081A1340" |
"FC0FEBCE417D0C62_17F9C80B214298D5_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3NOCC3" | 21 | "0BB23A64081A1340" |
"39A9E835DEA80537_4194B08BD47EF43A_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[C@@H](C(O)=O)N" | 21 | "0BB23A64081A1340" |
"3460C5E49C9E698B_9CBD529AA10B6895_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3=C[NH]C=N3" | 21 | "0BB23A64081A1340" |
"6747BC436E82942A_C37EC278B20FEF1F_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3CC(O)C3" | 21 | "0BB23A64081A1340" |
"678D6E763EBA8A16_7832F367AE2E6F0E_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCC3COC3" | 21 | "0BB23A64081A1340" |
"15D697389630CFD8_16B4DFD2E0015668_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3=CON=C3" | 21 | "0BB23A64081A1340" |
"8E45FE3CC90AB5CD_D9A6408083171002_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(=C(C)C)Br" | 21 | "0BB23A64081A1340" |
"BA43876A2D5D5B04_A6A5A8FBE3DBBBE0_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[C@H]3CCCN3" | 21 | "0BB23A64081A1340" |
"3C7AB1B8330AEC23_1566E3803641FBF3_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC[S](=O)(=O)O" | 21 | "0BB23A64081A1340" |
"36612C9E58DD9F4C_EE544ED7681C6490_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(C(O)=O)N" | 21 | "0BB23A64081A1340" |
"986E5D725B0C30D0_3A5BF14D88DA83A0_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3C4CCC34" | 21 | "0BB23A64081A1340" |
"EFDD9221A15F312B_68FF63E55D533AC8_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3=NN=CO3" | 21 | "0BB23A64081A1340" |
"E8502C786C7D8030_CBC10196DB49BBF2_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[C@@H]3C[C@H]3C#N" | 21 | "0BB23A64081A1340" |
"04F24A68FD7C63DE_65F3B9868D6345A4_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3C=CCN3" | 21 | "0BB23A64081A1340" |
"90338E9F47A4E7F2_CB9C9218C638203C_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3CC(C)N3" | 21 | "0BB23A64081A1340" |
"FE72C6F8607E0F6D_E7067CA257EEB71B_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3CC(Br)C3" | 21 | "0BB23A64081A1340" |
"3309376D8576AC44_342D215CA51C8E22_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3CC(Cl)C3" | 21 | "0BB23A64081A1340" |
"6CD81B09C638AC70_11995C2282A17B84_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[C@H](OC)CN" | 21 | "0BB23A64081A1340" |
"9828F7CAB3A1CCF9_401C83896BFAE1E6_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3=CN=CO3" | 21 | "0BB23A64081A1340" |
"2BDC842A729414B8_2E6C944EA0464552_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3(CC3)C=C" | 21 | "0BB23A64081A1340" |
"8B5ED8905CD0D3F5_054BA1133AB622DC_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCOCCF" | 21 | "0BB23A64081A1340" |
"05363E064AA9F402_7997072F845F3DFF_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3=NC=CO3" | 21 | "0BB23A64081A1340" |
"B6A2F5BF5BCCDA7A_87BE1A71C47FA48B_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[C@H](CC)NC" | 21 | "0BB23A64081A1340" |
"F405FEA41B77B118_F79AABED869BD594_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3CC(=O)C3" | 21 | "0BB23A64081A1340" |
"79207E757DF874E7_8981B1DAC2B0BA66_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(C)(C)C#C" | 21 | "0BB23A64081A1340" |
"87543F801BAFD50A_1F5BF4E67B31E294_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3(Br)CCC3" | 21 | "0BB23A64081A1340" |
"9BB83253B93CE6FB_078AE4C3A29172F7_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCC(C)(C)F" | 21 | "0BB23A64081A1340" |
"8C9A5F48A465D2CB_1CD58A3E43F0402C_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCC(C)C=C" | 21 | "0BB23A64081A1340" |
"30CA4B45E9E60461_8B67796DAE4AA1C6_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCCCCF" | 21 | "0BB23A64081A1340" |
"F9ADA477DEE9C4D4_8FDA23A3C930FC15_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(CSC)S" | 21 | "0BB23A64081A1340" |
"DE977FA62573C764_40C6198D881CCDE6_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3CC34CC4" | 21 | "0BB23A64081A1340" |
"236B12B0EDE1A245_2C80CFFE1286D667_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[C@H]([C@@H](C)N)N" | 21 | "0BB23A64081A1340" |
"B16C46419469C063_75007EB63ABE1522_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(C)C(=O)C" | 21 | "0BB23A64081A1340" |
"FE40600CE28DC5F3_6DBA6BFD71E833AE_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3=CC=CO3" | 21 | "0BB23A64081A1340" |
"DB8CD1BA8A211CB0_4A9362177D2AD21C_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3(F)CCC3" | 21 | "0BB23A64081A1340" |
"6DB2123BA962CB35_6B12CD5D36DBA2CF_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[C@@H]3C[C@H]3C=C" | 21 | "0BB23A64081A1340" |
"6936BC1BC2F6DD36_763DF7C7D49D3B37_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCCC=CC" | 21 | "0BB23A64081A1340" |
"DEEFB38899118621_363F9A0F38F13AAE_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3(CNC3)C" | 21 | "0BB23A64081A1340" |
"4E704F0411C6CCC6_BF1AEE8697ABF8D0_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(N)(C)CN" | 21 | "0BB23A64081A1340" |
"0D0B5585BD69D6CF_E682812EF3D7CCDE_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC=CCCC" | 21 | "0BB23A64081A1340" |
"6E9477944CD5EE28_B7AA851463692F21_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3=CSN=C3" | 21 | "0BB23A64081A1340" |
"2C1973BFACD8D8D7_1EF6DFA309E51B45_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCC[N](=O)=O" | 21 | "0BB23A64081A1340" |
"300431D7492F8910_D43553907D5CBA01_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(C(C)C)F" | 21 | "0BB23A64081A1340" |
"98CF68F1C25FC509_FB7CBEE5655AFC59_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(CCC)Cl" | 21 | "0BB23A64081A1340" |
"CB936DD9EB87816E_E4EFF963FE052CD5_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCCNCC" | 21 | "0BB23A64081A1340" |
"9F5897C31EB8F22B_9E51727D37113EB6_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCCCNC" | 21 | "0BB23A64081A1340" |
"BA43876A2D5D5B04_BB4FD33220DDA589_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[C@H]3CCCN3" | 21 | "0BB23A64081A1340" |
"084F522748F8D164_5002E9A58B9C581E_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(C)(C)CBr" | 21 | "0BB23A64081A1340" |
"55C1FEEA6AFA65E2_6EBF4F4C01328020_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCCCCN" | 21 | "0BB23A64081A1340" |
"BB4F04320E6C3931_22B0877BD968F2C2_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OC[CH]3C[C](=[CH2])C3" | 21 | "0BB23A64081A1340" |
"C320724CE0D624C9_65B528EB18D6BF49_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3CCCN3" | 21 | "0BB23A64081A1340" |
"9AC8BEDB50EDE3E7_49F0F7D0200AE7A6_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(F)(F)CBr" | 21 | "0BB23A64081A1340" |
"74F1E343E9518336_10BA089698A9C290_6031_DP" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3C(CN3)=C" | 21 | "0BB23A64081A1340" |
"1EC5E1D767F0AE8A_83707ECE6E84F05D_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3CCC3=O" | 21 | "0BB23A64081A1340" |
"78216CC2256FA726_3E5775466C1A814F_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3OCCO3" | 21 | "0BB23A64081A1340" |
"DA45F59D0E067991_D023C56835808440_6031_UN" | "CC(C(=O)OC1=COC(=CC1=O)CCl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"85AA9705CF96FE62_E25C41F520799E21_6031_UN" | "CC(C(=O)OCC1=CC(=C(C)C=C1)N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"6DFF63A0F2FA0B36_5A30C1684BC636B5_6031_UN" | "CC(C(=O)OCC[N]1N=C(C)C=C1N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B5725A25B4D8B83B_526106415AE32BE1_6031_UN" | "CC(C(=O)OCC1=NC=C[N]1C(F)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"FD1AD0189BA3C1E4_825CF3D8030E9599_6031_UN" | "CC(C(=O)OCCC1=C(C=CC=C1)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B43E46445000D3D8_239A9BE8E5F2809E_6031_UN" | "CC(C(=O)OCCN1CCCNCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"67DDA6311A1A2313_8402E7F6545057B4_6031_UN" | "CC(C(=O)OCC1=CC(=CC=C1)C#N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"687FB7A2C3730258_57B6425397E3B50D_6031_UN" | "CC(C(=O)OCC1=C(C=CC(=C1)Br)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"4A6E63C78A228C44_58DC2A594A1E4B36_6031_UN" | "CC(C(=O)OCCCC1=NN=C(N)[NH]1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"C5AE1419A1D671C6_42ABF635F61743FA_6031_UN" | "CC(C(=O)OCC1CC(F)(F)C1(F)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"312068C117722E90_5829097BCBAC7DDB_6031_UN" | "CC(C(=O)OCCC1=CC=C(C=C1)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"09777F7414494CE5_093FA61ECC31BC32_6031_UN" | "CC(C(=O)OCCNC1=NC=CC=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B6A8E1C6572E04D3_4A8F76377EBB3570_6031_UN" | "CC(C(=O)OCC[N]1N=C(C)C=C1C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"06A06F78800F1722_8B118F1F667ED4CB_6031_UN" | "CC(C(=O)OCCOC1CCCCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B48770ABDB6AE625_6C7D68265196816E_6031_UN" | "CC(C(=O)OCCCOC1CCCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"201698166A4243D1_50FE271133CC1A39_6031_UN" | "CC(C(=O)OCCNCCCCCC)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"8E6307920AD49984_21FB790B7776A9BC_6031_UN" | "CC(C(=O)OCCN1C=CC=CC1=O)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"66D83C2424D59EBA_0A5AF06E69443D97_6031_UN" | "CC(C(=O)OCC1=CC(=C(N)N=C1)Cl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"37B956EEF4B6A822_F23DFF55617FEFA5_6031_UN" | "CC(C(=O)OCCCOCC(F)(F)F)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"02932FBD309DFCD0_8751985CA5801DE7_6031_UN" | "CC(C(=O)OCCCC1=C[N](C)N=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"8BA28E3ED0065E18_B68B0E3C71B6A8C1_6031_UN" | "CC(C(=O)OCCCCN1CCCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"2374937A24F54C9C_55ACA73D9747B5E4_6031_UN" | "CC(C(=O)OCCCNCC(F)(F)F)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"080498AEB9892094_D7A004FE427B375A_6031_UN" | "CC(C(=O)OCC1=CC=CC(=C1)CN)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B87C8F421606DE53_3BF584FE356035A3_6031_UN" | "CC(C(=O)OCC1=CC(=C(C=C1)Cl)N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"65471F474832A91C_3640ACF69E224360_6031_UN" | "CC(C(=O)OCCCN1CCOCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"67DDEABE8FEEC10E_988B4D33226C325F_6031_UN" | "CC(C(=O)OCCNC1=CC=NC=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"34D734CA5D9BDEC9_F8210E9D230F8C69_6031_UN" | "CC(C(=O)OCCN1CCC(C)CC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"E9727B3AF056516E_B77338589C7D42F8_6031_UN" | "CC(C(=O)OCC1(NC)CCCCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"4D0C7346DC87A434_49218BDC5418E845_6031_UN" | "CC(C(=O)OCCOC1CCCNC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"BB314E5D6612FCB8_6489BD3A136C11C0_6031_DP" | "CC(C(=O)OCC(C)N1CCNCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"917FF13A113D45DD_730B2ADD4AE3B63D_6031_UN" | "CC(C(=O)OCCCNCC(C)(C)C)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"BB314E5D6612FCB8_06045DD66398B8B8_6031_UN" | "CC(C(=O)OCC(C)N1CCNCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"F023F546C4BD0F90_653EDE4278E6AD22_6031_UN" | "CC(C(=O)OCC1=C(C=CC(=N1)Cl)Cl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"773D62E60CA02995_17A17FF12F649E69_6031_UN" | "CC(C(=O)OCC1CCCN1CC#C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"889704A6711C4F23_44088C909B130A94_6031_UN" | "CC(C(=O)OCCOC1=CN=CC=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"99D6A4C23DD00BBD_E4AA09471F1E755C_6031_UN" | "CC(C(=O)OCCCCOCCCC)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"8FAB39D4A27B947E_C556E8F6E876D0B8_6031_UN" | "CC(C(=O)OCC1=C([N](N=C1C)C)Cl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"CE2F11B0E5F0D45B_097F7DF92042577B_6031_UN" | "CC(C(=O)OCC1=NN=C(CC)[N]1C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"13153E3B82133951_A60CA434F401B0D0_6031_DP" | "CC(C(=O)OCC1NC(OC1C)(C)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"8980174746C8C866_281C8FAE867D56C1_6031_UN" | "CC(C(=O)OCC1=CN=C(OC)C=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"33A5759DED22A8D5_C16A05DAFE9A5409_6031_UN" | "CC(C(=O)OCC1=C(C=CC(=N1)N)Cl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"C66C27E8326BD430_21B47B21C6915C2A_6031_UN" | "CC(C(=O)OCC(CC)N(CC)CC)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"318EB132031AC824_07D6AB7B52B7840C_6031_UN" | "CC(C(=O)OCC1=CC=CC(=N1)OC)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.