product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"50C4192774129AC5_6FAEA983586E9936_6031_UN" | "CC(N)(C(=O)OCCNCC1CC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"5CA8881DC027100E_0681C289B11C9E02_6031_UN" | "CC(N)(C(=O)OCCNC(OC)=O)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"5A65FDAE8E637AAC_D1F976D8237A3977_6031_UN" | "CC(N)(C(=O)OCCC(C(C)C)N)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"130131BBCC94DADC_A8441CFDD6B68822_6031_UN" | "CC(N)(C(=O)OCCC(C(C)C)=O)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"50460FE96302CD0E_59B4AE0777DD76BA_6031_UN" | "CC(N)(C(=O)OCC1(CN)COC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"7601A07033938E5B_EEE0A82CCF15AB78_6031_UN" | "CC(N)(C(=O)OCC1(C)CCCO1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"52D42DC55A784A13_E84A5244FCA06617_6031_UN" | "CC(N)(C(=O)OCC1CCCCS1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"563521AA1A7DA73D_1727DA233AC78826_6031_UN" | "CC(N)(C(=O)OCC(CCSC)N)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"8D0B439DA2924D44_22D566952055F708_6031_UN" | "CC(N)(C(=O)OCCC[S](C)(=O)=O)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"B6E0A2627A1BD333_EC0383E5083FA0A1_6031_UN" | "CC(N)(C(=O)OCC1=NN=C[N]1C)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"0D2E5B5BFE4BB5BC_0ED4CCF23B534CD7_6031_UN" | "CC(N)(C(=O)OCC1CCN(C)C1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"9D91F4D2FAD23B35_DADE9BF5D43699C9_6031_UN" | "CC(N)(C(=O)OCC(CC)(C)CN)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"FE4DCB95A50EF4C6_EDD44EAA72A0122B_6031_UN" | "CC(N)(C(=O)OCC1(C)CCCC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"EA43FC5A65FD34A8_971D323F09BE7C7E_6031_UN" | "CC(N)(C(=O)OCCOC1CCC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"2549A4192C77618D_7758D7BAB4682743_6031_UN" | "CC(N)(C(=O)OCC(C(C)C)CN)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"54374DBA5B22E683_0DB45EF483D407A7_6031_UN" | "CC(N)(C(=O)OCC(N)CC1CC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"AD76BD6B024E9505_4F11ABCBF78DEBB8_6031_UN" | "CC(N)(C(=O)OCC1=NC=CN=C1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"E11A4BD0EB5D291A_A98A0D5B078883AD_6031_UN" | "CC(N)(C(=O)OCC1=NC=C[N]1C)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"0F6F130645418D46_A573194BBDF8595C_6031_UN" | "CC(N)(C(=O)OCC1=CC=N[N]1C)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"F03AA99B452ECB33_1D237666D6A7FF1F_6031_UN" | "CC(N)(C(=O)OCC1(CBr)COC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"94AA7F4F98D28D8F_D28C507793D6A6C0_6031_UN" | "CC(N)(C(=O)OCC(C(CC)C)N)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"55E2FAD1ECA10422_C1CD42A69F7A731A_6031_UN" | "CC(N)(C(=O)OCC(CN)CC=C)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"263D4B95656822E9_2F32EF47FBD71769_6031_UN" | "CC(N)(C(=O)OCC1(C)CCOC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"2F1654066EE20C6C_075C0A549FA8F220_6031_UN" | "CC(N)(C(=O)OCC1=C(SN=N1)Cl)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"426CFDFC626DC85C_859DDD908E5D5826_6031_UN" | "CC(N)(C(=O)OCC1CSCCN1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"25DA6216E5A436AF_B5099F92CBDBAA6D_6031_UN" | "CC(N)(C(=O)OCCCCCCN)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"8CDE218929FCE44D_FEC1199D78864830_6031_UN" | "CC(N)(C(=O)OCCC(CC)CC)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"A6D1BE2C9A95A8A7_27709FB1FFD308AF_6031_UN" | "CC(N)(C(=O)OCC1=NN=C(C)S1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"64F98D9C1FE4D1AA_7F0EB6779011F90A_6031_UN" | "CC(N)(C(=O)OCC1=NC=C(C)O1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"83558AE032357E7B_9DB9FEB508127532_6031_UN" | "CC(N)(C(=O)OCCNC1COC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"A82858603B1EBB23_C834C1FA76ACEC77_6031_UN" | "CC(N)(C(=O)OCCCCC(C)=O)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"DC4FA1853EE1D879_21F811B1102BC7E5_6031_UN" | "CC(N)(C(=O)OCC1=C(C)C=CS1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"70BAE51E5934E640_0BAC188B72C1AAE9_6031_UN" | "CC(N)(C(=O)OCCOCCCN)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"189ED1857A2D7B64_C2025A90BCB5DD14_6031_UN" | "CC(N)(C(=O)OCC1=C[N](C)N=N1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"5F3B7BBCD0490F8D_5EFE06B6AADAAEEB_6031_UN" | "CC(N)(C(=O)OCC(C)CCCN)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"3B2650BBA4E11BEF_291FC5847A6E545B_6031_UN" | "CC(N)(C(=O)OCC1=C(C)ON=C1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"D7B094C76688A8C1_9AC0610963AA4904_6031_UN" | "CC(N)(C(=O)OCCCCCSC)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"1E76E48A5774BDB9_7657D11EF028F480_6031_UN" | "CC(N)(C(=O)OCC1(CN)CCC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"95E98BA2C8F08819_F35A9985ADDED7F1_6031_UN" | "CC(N)(C(=O)OCC1=N[NH]C(=N1)N)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"C68BEF77D39DCDAC_57F13DE11700E82A_6031_UN" | "CC(N)(C(=O)OCC#C[Si](C)(C)C)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"7276C1FE2CF472B9_655EB2C0C411A21B_6031_UN" | "CC(N)(C(=O)OCC1(C)CCCN1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"D9D939FF508CD0E5_55F0F5645A0E599B_6031_UN" | "CC(N)(C(=O)OCC1=C(C=CS1)Br)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"D94A7F4DC246259E_5316E5D704D33471_6031_UN" | "CC(N)(C(=O)OCCCCCC#C)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"81C8EA16B372C69C_7EF5E230C8F6523C_6031_UN" | "CC(N)(C(=O)OCC1=N[N](C)C=C1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"C5A1160901F26959_9F1B988DFB053649_6031_UN" | "CC(N)(C(=O)OCC(C)(C)CC#N)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"07A0FFDBA1B75FB3_C43F2291D1389E1E_6031_UN" | "CC(N)(C(=O)OCC1=NC=C(Br)S1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"6FF8C4D9DAA6D8C7_97633286E5DAAB4E_6031_UN" | "CC(N)(C(=O)OCC1=NC=C(Cl)S1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"5D98F965B2D5842B_F61BA1BB81BA4FA0_6031_UN" | "CC(N)(C(=O)OCCCCC#CC)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"455E803B568729F5_8E78EA0F5AC08C15_6031_UN" | "CC(N)(C(=O)OC[C@@H](C(OC)=O)N)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"4280CB5143FD8AA2_382E7481259785F9_6031_UN" | "CC(N)(C(=O)OC[C@@H](N)C(F)(F)F)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"CC44BD2A9F17311E_9C541885132E1EC9_6031_UN" | "CC(N)(C(=O)OCCC1=COC=C1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"34338140B800A4F3_2EB073C17326AC14_6031_UN" | "CC(N)(C(=O)OCCCC(C)(C)N)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"EE845F01144C3CAE_F0136F9CDFC3DAAF_6031_UN" | "CC(N)(C(=O)OCC1CC1C(C)C)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"921371B303FB6CFF_5AA2F77A74029733_6031_UN" | "CC(N)(C(=O)OCCOCC(F)F)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"BB431D5DC22E01BC_CED23AB3B2001C26_6031_UN" | "CC(N)(C(=O)OCC1CC1(CC)C)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"0F1B654E3923EB55_32D37EBAAD0BB2C2_6031_UN" | "CC(N)(C(=O)OC[C@H](N)C(F)(F)F)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"D5D490AA24E52A14_0BAB9E66DAA983EB_6031_DP" | "CC(N)(C(=O)OCC(CC=CC)N)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"813F41D356EFE49E_6CFA6066ACFE564B_6031_UN" | "CC(N)(C(=O)OCCOCC1CC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"0E7FB9208AEFEACC_93B8782BFBB86020_6031_UN" | "CC(N)(C(=O)OCCSC(F)(F)F)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"092B8E065A4F384E_49C1BCA562F9DC71_6031_DP" | "CC(N)(C(=O)OCC(CC(C)C)N)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"8AA83863F9B5D8A1_C766FBEA78E7EAD8_6031_UN" | "CC(N)(C(=O)OC[C@H]1CNC(=O)O1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"443BC3E25DBC4A9F_CEFACEE95E675B88_6031_UN" | "CC(N)(C(=O)OCC1CN(CC)C1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"3C8C9666FD233346_244D6D15D9D087CE_6031_UN" | "CC(N)(C(=O)OCC1(CCC1)C#N)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"157C5DA2E9FA24D5_891715F186BC6900_6031_DP" | "CC(N)(C(=O)OCC1(N)CCCC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"930CC4D6C6E54BAC_0AAE9BECE4CF9DB1_6031_DP" | "CC(N)(C(=O)OC[C@@H]1CCCNC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"5B1E515D6412400E_EB491B970D79C8E6_6031_UN" | "CC(N)(C(=O)OCC(CC)(C)C=C)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"A35DACF01504E732_0DD660BD1290DF8E_6031_UN" | "CC(N)(C(=O)OCC1=CCCCO1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"C4F9A07271D9D4F6_84BEA5474C774F9F_6031_UN" | "CC(N)(C(=O)OCC12C(C1)CNC2)C3=C(C=CC(=C3)F)F" | 21 | "52EEEE9CD8A875FF" |
"0FBD61E6B2FE4858_47489EC100C6466F_6031_UN" | "CC(N)(C(=O)OCCNC1CCC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"CC4126044BC0CAA5_3EF8641D16D4BD0E_6031_UN" | "CC(N)(C(=O)OCC1(CNC)CC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"909BBBB2A41FBD18_6029A039F5C6ED0F_6031_DP" | "CC(N)(C(=O)OC[C@@H]1CCCCN1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"38223E0871850346_3966C2651BB919EB_6031_UN" | "CC(N)(C(=O)OCC1NCCC1C)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"BFE22277B50A2F9E_38A4E4486CD9D125_6031_UN" | "CC(N)(C(=O)OCCC(OC)(C)C)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
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"412BF7CD408CCA3B_CEC5B2EA591EF03C_6031_UN" | "CC(N)(C(=O)OCC1=CC(=NS1)C)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"1D97874C1B42E0BC_59140562EC8D5582_6031_UN" | "CC(N)(C(=O)OCC(C(C)C)(C)C)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
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"6B9592A4394D1527_333E64EBF29427A0_6031_UN" | "CC(N)(C(=O)OCC1(COC)CC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"BB15D5F1ED1D6F1F_83C0E772F59A3DA2_6031_UN" | "CC(N)(C(=O)OCCOCCNC)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"4B9C8B9D16144B31_A14A6548B5EE81A3_6031_UN" | "CC(N)(C(=O)OCC1(SC)CCC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
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