smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C(=C2)I)I)I | ACA8D9F2611A7D49_D31389A164C0B78B_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NN=C(S)[N]2C3=CC=CC=C3 | 319AB4B7888C9DCE_244D98494A63F6C1_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC3=CC=C(N2CCN(C)CC2)C=C3 | 9ED30A6F4A0D60A9_9A739FEAFCD2E14C_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC3=CC(=O)N2C=CC=CC2=N3 | 2170C0B8AEBA1CB5_F1C7E32D4656D4CE_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC3=NN=C(C2=CC=CC=C2)[N]3C4=CC=CC=C4 | 07EB5DD351589146_F9B487D9D1B5D117_6031_UN | 29 |
CC(C)C1=C(SN=N1)C(=O)OCC2(OC)CN(CCC2)CCC#C | F210925C89BFFF92_8EDBE7468674CCF1_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H](C(SC)(C)C)N | 758E293CCB8D0B8C_BC51705754004695_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C[N](C)C=C2 | E844B5DB0085AED9_ED73AFBA6616EC8C_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC(CN)CC2=CC(=C(C=C2)F)Br | 6CEECDF18BB743C7_F4AD094D51EF4B0D_6031_DP | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC(CN)CC2=NC=CC=C2 | F87A76C84295FE7D_8354A88CC11CAF95_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC(CN)CC2=CC=C(C=C2)Br | 077A82E29DE02ED2_C415D3B1FFE13057_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=C(C=C2)C#CCF | 1A5D10B5A68B41E6_74B9F349614F935F_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N=CC(=C2)C(C)C)Cl | 78A913335B5F066B_F9BCAFC1432F8D81_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=CC(=C2)C(C)(C)C(F)(F)F | EF866C3310403AC1_31BBC2EF91BF8A81_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2(COC)CCNC2 | EFE25D3458E36F90_9E53548DEB6E7419_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2N(CCC2)CC3C(CCCCC3)=O | 3261973156ABF75B_52052F4E980D2BD8_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=CN=C([S](C)(=O)=O)N=C2 | 023316ED27801E85_7283A40C0E67B38C_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC3CN(C2CC2)C(=O)C3 | 7E37C49AF6D5D285_FB43792F3F3AB38D_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCCI | 7028F7D4586D6837_A4BAB7BBE391603E_6031_UN | 15 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NOC3=C2CNCC3 | 22EE5880CC002663_15DB72F8546D8EC7_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCC2OCCN(CC)C2 | B033B7D60025EDBA_975B2093AE34F003_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2(C(OC)=O)COC2 | 1258E8C15A91D249_F2C1AF1DD002A379_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C)N=C2Cl)Br | C7CE6472FE879E14_C90F49B508932DFE_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC4=CC=C(C[N]2C=CC3=C2C=C(N)C=C3)C=C4 | 6494C4A8B29B0844_A89FAB0D1A2C364F_6031_UN | 29 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CN)CCCCC2 | 7053761E92B349F3_DAE73DC23A0EA21C_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)C2=CC(=C(C=C2)Cl)F | 567F0878C107173D_F8673C712CAFA6D5_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCC(C)NCC2=CC=CC=C2 | 55D34CFF3C3AD4CA_ECD284935BA17833_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC(=CS2)C3CC3 | 6AF550350035C473_A767A9979C664A5B_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2CNCC(C2)(C)C | 34538ED2FCF60CF9_591FBD3658793526_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(N(CC)CC)C | 7EF232D54D880ED7_8A814BBE71A00F76_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC[C@@H](C(C)=C)CC2 | D9B8499110806A5E_8792BA700761C575_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N)C=CC=C2Br | 3DF24DADBF32C762_27926BA062D55E07_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C=C(OC(C)C)C=C2)Cl | 58E941A97658C6FA_0C6021B0B51AB79F_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OC[CH]2C[C](=[CH2])C2 | 750AE64F4D9E3570_20ECCE4F866FF6DC_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC23CC2COC3 | 95CB965FDBC757CC_F74A580ABA06034D_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCNC2CC[S](=O)(=O)C2 | 955980F7BCAE7A22_97DC28729065A992_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCCN2CCC(N(C)C)CC2 | 8B9D2DF6D9460EC3_9118EDFEB7248282_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCNCC2)CC3=CC=CC=C3 | 03162433121CE33C_1AC07AC2B9D08D87_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC3C(C2)C3(F)F | 6F25AF783F85E4F0_E4A3B83791E7BEC6_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2C3(CCNC2)CCC3 | FE8B5246AE02725D_3A60AC061C14F480_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H]2CC[C@H](N)CC2 | 1DDDA970DFFB0848_91B8744837150375_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCC(NC)CC2 | 5B6C7345E50B7ED0_B0FA2BC399990946_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(CC)(CC)CC | 1F05B302E3DB3E6B_FA7064D600F78705_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2(C)COCCN2CC3=CC=CC=C3 | 00F1B901D51D6EBA_FE5748E94120AC51_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=C(N)C=CN=C2 | 35448E9D85216D48_AD0B9BC0A3C89D5F_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CN=C(C)C=C2 | DF342A37E863C3A5_DC04C9764608401E_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCOCC2)C=C | 21B50D2DEE58BF15_F454434ADF8AAA84_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCCN2 | 7F427DBD939A3126_67E961DF47D1BB57_6031_DP | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC(F)(F)CBr | AA2AE1CACFC249F4_4BACBEE47F0DE3B8_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC#CC2=C[NH]C3=C2C=CC=C3 | A4CB4B4FC87B4A88_D1E020D21612166F_6031_DP | 23 |
CC(C)C1=C(SN=N1)C(=O)OCCCSC(F)(F)F | D96DC3860EBDAF9B_2B826F5D744A8C89_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OC2=C(C)OC=CC2=S | 6024523F870E5CA9_CD0743B6578E499E_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(=CC)C | 232BEF7D214019E6_1F1EF6A4003A8906_6031_UN | 16 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CN)CCOC2 | 7FFF08DBD95ED773_36A086273F9A25CC_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N=C(C)O2)C | A176621502D7B11A_0270769233348995_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCCC2(C(C)C)OCCO2 | 18029DCEB809792C_1E4741FCD1B7984A_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)(C2=CC=CC=C2)C(F)(F)F | D3C72A52F7C2765A_C45C2DC61DC28B34_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CSC(=N2)Cl | 6FB6300470279BCC_8941E4D155B1D814_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=CC=C(N)C=C2 | C1940AD1991A5107_DBE91E439ABCCBBB_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)F | EC1AF7F5E62B94BF_B7AD4F393FDD01B3_6031_UN | 31 |
CC(C)C1=C(SN=N1)C(=O)OCCCCCCCCCCC2=C(C)C(C(=C(OC)C2=O)OC)=O | 68557E18A4C2F822_EE73784F8B590A27_6031_UN | 34 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CN=C3C=CC(=N[N]23)Cl | 99A1EC3B863215D8_EA509C7309D18D1B_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC3CNC2(CCC2)C3 | 335C665A4CC8BBB0_025D5C65C2160502_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=NC(=N2)[N]3N=C(C)C=C3C)C | C833D9DBE2C39003_2A8D067EC841F439_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N=CC=C2)Cl | E29A91DE9F8C9283_233DFBC5EC899F2D_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC3CCN(C2=C(N)C=CC=N2)CC3 | A350E4E2349D83EB_0AA14CB99757FC08_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2CNCC(C)C2 | 3C546393AD310A22_6089278E419D3D54_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC3=N[N]2CCCCC2=C3 | A3B9D79A50D0D359_F65216324E4F2258_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCN2CCC(CC2)=O | 00940EEE401B21CD_21E44B0123508890_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC3=NC2=C(C=CC(=C2)C(F)(F)F)O3 | E5821398028884E9_53840A7DB93F20F4_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2OCC(C)N(C2)CC3=CC=CC=C3 | E99464D2BACAC806_AACE60CBBB235F29_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC=C(C=C2)F | 890B8A9AC212BBAD_38873FF4880CE3EE_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCCN2CC3=C(CN)C=CC=C3 | C4C611C0F91732F9_0D671C7F452C5A7D_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCC(CC2=CC(=C(OC)C=C2)F)C | FF4C9447F6B09ED7_BB2F35928C9D1651_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCCN2CCNCC2(C)C | 78FCEF4197CB9741_7815EC6989C73F28_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCC2CCNC2 | 278DA58444F2B2B5_A341964A69C56CBB_6031_DP | 18 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2OCCNC2 | AEAF9AD7C8A09E2C_481ADBD29DA8D4E9_6031_DP | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2(OC)CCNCC2 | 33B316B8FCAFB489_8BBF5A687622E4FA_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H]2NCC[C@@H](C(C)(C)C)C2 | 12D59688FE111052_4DE7704FBA8B035C_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCOC2=C(C=C(C=C2Cl)Cl)Cl | ED86F4A466B6E108_570CFEEAF05658E5_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C[N](N=N2)C3=NC=C(C=C3)C(F)(F)F | F8D18A57538FAEC5_9DEB888992E27EBD_6031_UN | 27 |
CC(C)C1=C(SN=N1)C(=O)OCCC(F)(F)C(F)(F)F | 300336A897C83402_8D716D86BBB6B11C_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC3=CC=C(C2=NN=C(C)C=C2)C=C3 | EA6A2A7E10E47F4F_DDC296C8D276DFEA_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC(C(CCC)C)N | 9A054658E5DB922B_140E4C7780D64516_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NN=C(S2)C3CC3 | E80C36A00D1F4CD5_AE0B1B770A5C69B1_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C)C(=CC=C2)Cl | 963C5BF6D9875396_F26C6802C5422969_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2(COCC3(N2C)CCC3)CN | 7D658D5F617C5162_3F30C9BDF5DC75AD_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2(OC)CCNCC2 | 33B316B8FCAFB489_F874B5D254624CC5_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2(C(OC)=O)CCCC2 | 4F31C8AED09B372D_1EE6379196F8A23B_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C)[N](N=C2)C | 74E6F6F23C829903_8DF9E9DC96E60CE4_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCCNCC2=CC=C(C)C=C2 | B6B887982B26F7E8_5733C119B3D41A0C_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CC(C)C)CC2 | 1B2371737146808D_99753938CE791909_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(OC)(OC)C2=CC=NC=C2 | F351984828EE3AF5_237ED7B7A1AD2086_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=COC(=N2)C3=CC(=CC=C3)C(F)(F)F | 353AD2EA305EA2BB_BC16C97EF09DF79A_6031_UN | 27 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C[N](N=N2)C3=CC=CC=C3 | 1317E00380058E68_ABC3F55CA7467F2C_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCCCC3=C[N]2N=C(C)C(=C2N=C3)C | D5A660A2C391DABD_03C4CA708AD3464F_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCCC(N)C2=CC=C(C=C2)Cl | A52079C335BC6B74_77D16D6AA3F681E3_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC(CCCC)(C)N | BB132F7927F5A16E_F7D3B93BF8B8875A_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC(=CC=C2)OC(F)F | BA2D16CB025D1682_8E21DC1DE44A5128_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2COC(=O)O2 | D8CED1BC2647CE5D_0AAF56FB71AE57C9_6031_UN | 18 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.