product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"42433335BA251D96_E4F5ABA62989921A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3(N)CCCCC3" | 21 | "8F3229890AEE7886" |
"C7ED677F0273B254_B8DE3E15458730E3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(NC)CC(C)(C)C" | 21 | "8F3229890AEE7886" |
"8701EB4973A3792B_40934807F09A1D0C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CC(C)(C)OCC3" | 21 | "8F3229890AEE7886" |
"B0E72DAA63CB0F3D_F0BC01DF66BB25D2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C[N](C(C)C)N=N3" | 21 | "8F3229890AEE7886" |
"77579744CD0DA023_A75D0A2FB8863F6D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC#CC3CCCCC3" | 21 | "8F3229890AEE7886" |
"CBFDE056D656DB41_B9CDC24A26F4F353_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN(CC)C3CCC3" | 21 | "8F3229890AEE7886" |
"74AE871EAE02BBC7_5FDA9DE9342DF75D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)C3=NC=CC=C3" | 21 | "8F3229890AEE7886" |
"79E1AE4392E977BD_6994E001BB2D604D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=COC(=N3)C(C)C" | 21 | "8F3229890AEE7886" |
"9A19CD39D516FBBC_28F81A939806F22B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=NC(=C3)F)F" | 21 | "8F3229890AEE7886" |
"49AEF1EB4B84B540_64FEFCC5812A3900_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCN(C)C3=O" | 21 | "8F3229890AEE7886" |
"66147452100F4DBA_AFD606F10DF62618_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=CC(=N3)CN" | 21 | "8F3229890AEE7886" |
"B436F86639A84E71_0DDFC7A7BBDA02A9_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCC(C)(C)CC3" | 21 | "8F3229890AEE7886" |
"9588C6323C6C7F44_B9AB4B0D85FD90E0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CC(C)NCC3" | 21 | "8F3229890AEE7886" |
"25ED5C6DEEEBBDA1_058C04224DD5E863_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(NC)CCC(C)C3" | 21 | "8F3229890AEE7886" |
"F3063D47DC4BB562_088D013D126AFC85_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=CC(=C3Cl)N" | 21 | "8F3229890AEE7886" |
"647845A2A4EDD396_0870BD4F33C3662F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCN(C)CC3)C" | 21 | "8F3229890AEE7886" |
"9E5C43DCD9EC1554_B6AA9DEE592A7A37_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)NC3CCCC3" | 21 | "8F3229890AEE7886" |
"3276944A207B6273_9BE6CF5736F7343A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(NC)COC(C)C" | 21 | "8F3229890AEE7886" |
"FB9F4F58EA5724AD_30155E7D2B7402F3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C([NH]N=C3C)C" | 21 | "8F3229890AEE7886" |
"E5C6A0CE6D622A93_17448871E6D3DE7D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC(=NS3)C(C)C" | 21 | "8F3229890AEE7886" |
"F46FDF75DCD14A20_CF2A6F940AF9ECC6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3(CN)CCOC3" | 21 | "8F3229890AEE7886" |
"C52E328C67267896_E9583431832D78E6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=NC(=N3)C)C" | 21 | "8F3229890AEE7886" |
"A987D982FD9D299F_43FE4D53718A18A2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C3=CC=C(C)S3)N" | 21 | "8F3229890AEE7886" |
"9220DEEE0B62E8FF_28449F52B2C25394_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC[N]3N=C(N)C=C3" | 21 | "8F3229890AEE7886" |
"B05B2962FDB03BAE_9BFE073C426C71AD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=CC(=C3)OC" | 21 | "8F3229890AEE7886" |
"83171563C1ADDBDD_4DDDA02C87032F0F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOCC3CCCC3" | 21 | "8F3229890AEE7886" |
"7E5EF18F622F34F4_078B39FEA589A9E0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3=CN=C[N]3C" | 21 | "8F3229890AEE7886" |
"D6A2719E49E36553_656D086EEC7D4609_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3=N[N](C)N=C3" | 21 | "8F3229890AEE7886" |
"A4220F5DBE9E49CC_1EAB384458EDEA92_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCN3CCCCC3" | 21 | "8F3229890AEE7886" |
"91DFBDE2922FD56D_DFF73B9D72378E22_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC=C(C=C3)Cl" | 21 | "8F3229890AEE7886" |
"3E0AF636B513A177_B19536604C9209CE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C)C(=CC=N3)N" | 21 | "8F3229890AEE7886" |
"2D0A6C6DC2B1E2D4_EBB86CC32BA2210F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC(C)C3=CSC=C3" | 21 | "8F3229890AEE7886" |
"AD923073802E8D95_C80FF4F677710570_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(COC)CCNC3" | 21 | "8F3229890AEE7886" |
"9181154136C6843F_6984E57A44CBB2C9_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)(C)C3=CC=CS3" | 21 | "8F3229890AEE7886" |
"8D5A0D3563E499EE_75312D96F923768B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C3=CC=N[N]3C)N" | 21 | "8F3229890AEE7886" |
"7F8C205054818714_F1757701FEED4259_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC(=NO3)C(C)C" | 21 | "8F3229890AEE7886" |
"F7B6A69B679CD05D_C020E20BBF4875EF_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCC(F)(F)CC3" | 21 | "8F3229890AEE7886" |
"3D47BB25A020AF04_9DD4F7C0AF2613EC_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC=CC(=C3)N" | 21 | "8F3229890AEE7886" |
"DE4F7BEB61492711_CFB5AFB444E77F49_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=CC(=C3)Cl)Br" | 21 | "8F3229890AEE7886" |
"69B8EB30469632E2_D74E36B51DBAD1CC_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC=C(C=C3)Br" | 21 | "8F3229890AEE7886" |
"D0E72AB7AB18F884_CD7F10B0D44A2977_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@H](N)C3=CC=CC=C3" | 21 | "8F3229890AEE7886" |
"DA090C022D3EAE2B_4FB443D07E596423_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C[N](N=C3C)C" | 21 | "8F3229890AEE7886" |
"EE7BE14C028E61B9_3DB89693D38BFBA8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=NC=C3)C#N" | 21 | "8F3229890AEE7886" |
"63D26B91B09D3A8E_40B74ADEA6D278E5_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3CCC(C)C3" | 21 | "8F3229890AEE7886" |
"2294F7DF28AB50CF_5684BE5C37BC6022_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3=NC=NC=C3" | 21 | "8F3229890AEE7886" |
"A0CC553EE9643092_5F17E80DB5304BE4_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C=C3)Br)N" | 21 | "8F3229890AEE7886" |
"2DA4AEF18DBA25C0_E7E05EADFCF03199_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC4=N[N]3CCCC3=C4" | 21 | "8F3229890AEE7886" |
"68966A59F35CD49F_3E0068AB89092C6A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)C3COCCC3" | 21 | "8F3229890AEE7886" |
"4507703F55C28B09_826537EDC6235BF8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C)C=NC=C3" | 21 | "8F3229890AEE7886" |
"4204D498D3705E2D_19CE6408C2749089_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)C3CCOCC3" | 21 | "8F3229890AEE7886" |
"6C4DE625581878C5_90DF65E4B8211381_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC=C(C)C=C3" | 21 | "8F3229890AEE7886" |
"08FE468779220A29_430A443657908C32_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3=NC=NC=C3" | 21 | "8F3229890AEE7886" |
"FC3013DFA4D1DC81_5741B4CA8693AAF6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCC3)NC4CC4" | 21 | "8F3229890AEE7886" |
"8F7E3EF6A563595E_F7B0E95B5E0CAF36_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C=C3)Cl)Br" | 21 | "8F3229890AEE7886" |
"C8F8A44D52975A61_A36CAAC366754065_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C3=CSC(=N3)C)N" | 21 | "8F3229890AEE7886" |
"47115B73FA826985_BA8C128FFCF5FEB8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC4=C3CCC[N]3N=C4" | 21 | "8F3229890AEE7886" |
"CC0B6826A8AF016A_088CF5A132CFBCEE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=C[N]3C(C)C" | 21 | "8F3229890AEE7886" |
"231A30279839E856_EB3811CAADE9096B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CCCNCC3" | 21 | "8F3229890AEE7886" |
"B4B41384ED2897FE_49632DD51D56056B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CN(C)C(CC3)=O" | 21 | "8F3229890AEE7886" |
"50191AF2A94FF35C_C2C3810220121D91_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(C(OC)=O)CCC3" | 21 | "8F3229890AEE7886" |
"A3BE340B504E9B3A_5336DC94C04CFDC5_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC(=CC=C3)Br" | 21 | "8F3229890AEE7886" |
"FBE0CBE172FB1DF0_9751F9FCC5600C58_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CNCC(C)(C)O3" | 21 | "8F3229890AEE7886" |
"92986765C00B5125_07E648B6C5540C3B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CN4CCC3CC4" | 21 | "8F3229890AEE7886" |
"B94A04C6BCAE8704_368EA278771345D8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(COC)CCCC3" | 21 | "8F3229890AEE7886" |
"3AB7A41432B30AA5_AF9FAFFC6CE1A28F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@H]3CCCN3C(C)=O" | 21 | "8F3229890AEE7886" |
"CBE51C1588DD0314_7428EAEE1EE66963_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOCCNC(N)=O" | 21 | "8F3229890AEE7886" |
"CDEC980686962000_EA824E59F724A919_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C(=CC=C3)Br)Cl" | 21 | "8F3229890AEE7886" |
"9B97545B02CAC6FC_0A8E816893A1B9DA_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC=CC(=N3)C" | 21 | "8F3229890AEE7886" |
"24EA0C1292B3E1DF_2358D56015B7D2F4_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=CC(=C3)I)I" | 21 | "8F3229890AEE7886" |
"D0213DC0D3145D15_4CC5D67C131787DB_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=NC=C(C)C=C3" | 21 | "8F3229890AEE7886" |
"4094BD7DD4CFCAD8_E2FC57C4DB48B52E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)C3=CN=CC=C3" | 21 | "8F3229890AEE7886" |
"57B5C576B3A7D6F9_3784B501B7825F7B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=CC(=C3)Cl)I" | 21 | "8F3229890AEE7886" |
"4A890AC728CDA529_666D713BD62CAF31_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=CC(=C3)CC" | 21 | "8F3229890AEE7886" |
"FC4DE9CDB77EBD44_E9C1C012664A4195_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN4CC3(COC3)C4" | 21 | "8F3229890AEE7886" |
"E200ED69F06867F0_EA6E6F4310923E4E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=NC(=C(S3)C)C" | 21 | "8F3229890AEE7886" |
"C56F8813DFE3B05A_6B550F9218B42454_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CN=CC(=N3)C" | 21 | "8F3229890AEE7886" |
"CDFB9E4D057DC065_2629B7871A440D02_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)C3=NC=CC=C3" | 21 | "8F3229890AEE7886" |
"58812813E427B805_F9DEDADDCE7B866C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C=N3)Br)Cl" | 21 | "8F3229890AEE7886" |
"F0A8749B926B8E67_0EA150196E115DCE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CC4CCC3CC4" | 21 | "8F3229890AEE7886" |
"B95AEA3938A56AF5_28E699A2A8C18ACC_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CC4CCC3C=C4" | 21 | "8F3229890AEE7886" |
"729E0AAEF1A90860_056F1FFA107521E0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)C3=CC=CC=C3" | 21 | "8F3229890AEE7886" |
"352F94685F9BC79C_22E51B99FC794E22_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(NC)C=CC=C3" | 21 | "8F3229890AEE7886" |
"D42233538FA93C4A_DFD1A23B0704F719_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(CC)CC(F)(F)F" | 21 | "8F3229890AEE7886" |
"733E8930B2C2FC04_0D89AD6C7EAF174A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C)C=C(N=C3)Cl" | 21 | "8F3229890AEE7886" |
"7CB35C0F25546888_CB942E4BBD56D47D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=CC(=C3)Br)I" | 21 | "8F3229890AEE7886" |
"44D76E37038B46F3_8B0CC65A2C62FF79_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@@H]3C[C@H]4CC[C@@H]3C=C4" | 21 | "8F3229890AEE7886" |
"C617899E41B3E86E_7238087CA06E704D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3C(=C3C)[Si](C)(C)C" | 21 | "8F3229890AEE7886" |
"E428BD261DBD8A9E_E332FE06D2F2F672_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)N3CCCCC3" | 21 | "8F3229890AEE7886" |
"5E508B1968323722_0069926EC5088E83_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOCC3CCCO3" | 21 | "8F3229890AEE7886" |
"87817E78E8F5682F_86DA5C7636D81A2F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C)SC(=N3)Br" | 21 | "8F3229890AEE7886" |
"085FDD3448DC1577_37B6085843858C6F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC#C[Si](C)(C)C" | 21 | "8F3229890AEE7886" |
"62EF549A42105153_C5170695F6D0E782_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)(C)CC(F)(F)F" | 21 | "8F3229890AEE7886" |
"A11223B606CB0B74_D484AD6669F9FB53_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC=CC(=C3)C" | 21 | "8F3229890AEE7886" |
"E4F0EB9502D79121_D317E7D78849CE6B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCSC3=NC=CC=C3" | 21 | "8F3229890AEE7886" |
"17D291503AE19A85_73E82A9D1E511A08_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOCCOCCF" | 21 | "8F3229890AEE7886" |
"CF7E0693ECC65FBE_333E82E184D3B960_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3NCCCC3C" | 21 | "8F3229890AEE7886" |
"685D3C484A950DF9_C03F41D3E9835591_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)C3CCCCN3" | 21 | "8F3229890AEE7886" |
"3B29D6AF228E7A78_406BAFE2BB690C5C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)C3CCNCC3" | 21 | "8F3229890AEE7886" |
"3B615293B4FC261A_30DEDA9EE9F94B87_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)(C)[N]3C=CC=N3" | 21 | "8F3229890AEE7886" |
"EEB813EE9000FCFD_6C126B514C929CB3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC34CN(CC3)CCC4" | 21 | "8F3229890AEE7886" |
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