product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"7BFA3689677DC272_3E9C53F459AA77E6_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=C(C=C1)Br)C" | 21 | "2ABD1A31041160FA" |
"D06253722F8EDAD8_B7BC8715824B0E75_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(CC(OCC)=O)N" | 21 | "2ABD1A31041160FA" |
"CEEC01BAF758B41C_869F78CA42C81C3B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C)N=CC=N1" | 21 | "2ABD1A31041160FA" |
"51697072DB29BA61_4C08ACC3561C6D77_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CNCCC1(F)F" | 21 | "2ABD1A31041160FA" |
"880CED76E4107AF4_261792175A0C2E32_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(N=CC(=C1)Br)Cl" | 21 | "2ABD1A31041160FA" |
"B4CA188133703765_8035315515686325_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=NC(=C1)Br)C" | 21 | "2ABD1A31041160FA" |
"5496EC7371C90C8F_9CD4815DFAD53518_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CN=C(COC)S1" | 21 | "2ABD1A31041160FA" |
"9D8B0506E66E3299_08315D2A2C872C4A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NN=C(C(C)C)[NH]1" | 21 | "2ABD1A31041160FA" |
"EDB7CF4E03FF6EAB_CD82C954AF4A633E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=NO1)C(C)=O" | 21 | "2ABD1A31041160FA" |
"54F9BA6D56D45C27_2DF8851D2E9FD4FC_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC(=CC=C1)F" | 21 | "2ABD1A31041160FA" |
"2DADECBA9B755EFE_BBE3D2F058E53ED3_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C=CC=C1)Br" | 21 | "2ABD1A31041160FA" |
"0627739D197B26C9_1ADA9101FE31AF51_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC=C(OC)C=C1" | 21 | "2ABD1A31041160FA" |
"0867D9267ACC3BA1_BE4F3511FCC3C00E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCCCC1(F)F" | 21 | "2ABD1A31041160FA" |
"30BE63A81F37CB94_B6481C935DA5220A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=N[N](C=C1)C(F)F" | 21 | "2ABD1A31041160FA" |
"E0B20D61AA953D3D_7512047BB1674F3A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1CC(C)OCC1" | 21 | "2ABD1A31041160FA" |
"7527FCB0566A4AFA_290CC2E63AAF4840_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=N[NH]1)C(C)C" | 21 | "2ABD1A31041160FA" |
"ACD1529FFB38C9A7_37B06D68DE4800B8_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=N[N](CCC)C=C1" | 21 | "2ABD1A31041160FA" |
"42BAA0C29694A7E6_C3989F3458698196_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=N[N]1CCF" | 21 | "2ABD1A31041160FA" |
"4E7A3020854F807C_4B435F1805A32F9F_6031_DP" | "COC(=O)N(C)CCCC(=O)OCCOCCNCCN" | 21 | "2ABD1A31041160FA" |
"B4720C2305564C70_75DED1B566263615_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1C=NC=CC1=O" | 21 | "2ABD1A31041160FA" |
"F5800E73380BABFD_79C2EC5BD0FC678F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC#CC1=NC=CC=C1" | 21 | "2ABD1A31041160FA" |
"901A295B3AC3C9DB_E4681F840E1DE118_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1CCCC(N)C1" | 21 | "2ABD1A31041160FA" |
"42371F1ED32D7BB9_3B378A663C6097AB_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C([N](N=C1C)C)C" | 21 | "2ABD1A31041160FA" |
"AAC35C2A501B2EA7_9AD1A50728914515_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CC1)C2=CC=CS2" | 21 | "2ABD1A31041160FA" |
"1147B46731FE5680_7DFB94B9F50CAA3A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC(=NC=C1)N" | 21 | "2ABD1A31041160FA" |
"E615F10DBCB7BB7F_7DF22155138891A5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=NO1)C2CC2" | 21 | "2ABD1A31041160FA" |
"740DB60B563733CA_04FB4BBDD2146EE0_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=N[NH]C(=C1)C2CC2" | 21 | "2ABD1A31041160FA" |
"2337C5C4E8BE77D9_B5989A4DC64D612C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=N[N](C(C)C)C=C1" | 21 | "2ABD1A31041160FA" |
"2A96049A218569C2_9A22FC4B3781859F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NOC(=C1)C2CC2" | 21 | "2ABD1A31041160FA" |
"3CEDB45D3B4AA3F2_F9EE0160DB7F51CA_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=N[N](CC)C=C1Br" | 21 | "2ABD1A31041160FA" |
"929E8127E143F209_2E5779E482C0931F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=N[N](C=C1)CCF" | 21 | "2ABD1A31041160FA" |
"055900A3238FF56A_7EE4EA4D90C0DB98_6031_DP" | "COC(=O)N(C)CCCC(=O)OCC1CCNCC1(F)F" | 21 | "2ABD1A31041160FA" |
"28D6D35E6BA8F68C_1467D78F6CB6C5AA_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNC1=NC=CC=N1" | 21 | "2ABD1A31041160FA" |
"93AF5E6C6C1CC1A5_8ECE1FFADB3B779B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(N=N[N]1CC)C" | 21 | "2ABD1A31041160FA" |
"92BB9BAB181BC268_DB2968D54EE59C14_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=C(C=C1)C#N" | 21 | "2ABD1A31041160FA" |
"7FF6D82D4BDD2D18_E06C3C506C15887A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C)C=CC=N1" | 21 | "2ABD1A31041160FA" |
"73C8061464D44669_4AF2DD2D30CED425_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=N[N](CC)N=C1C" | 21 | "2ABD1A31041160FA" |
"49ECF458E3FC13DF_3FA88D0929D76AE9_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=C(C=C1)F)Br" | 21 | "2ABD1A31041160FA" |
"B3972293FB47DEA4_8BA42DE3903E03A2_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(OC)N=CC=C1" | 21 | "2ABD1A31041160FA" |
"5B756F2A01B212D5_DA15C57F73293B7D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC(N)C1=CC=CO1" | 21 | "2ABD1A31041160FA" |
"08B92C10026999CB_DBC08FF8AE50FFF2_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CN=CC(=C1)OC" | 21 | "2ABD1A31041160FA" |
"16375DA21719D646_417A981E27768A66_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1(N)CCCCC1" | 21 | "2ABD1A31041160FA" |
"09134854E76AA8D2_1D510DAD4B78289F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(NC)CC(C)(C)C" | 21 | "2ABD1A31041160FA" |
"719F46BCF2B73875_E51C7BBFFE650570_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CC(C)(C)OCC1" | 21 | "2ABD1A31041160FA" |
"E2E9352B1481C692_5533326768443DAE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C[N](C(C)C)N=N1" | 21 | "2ABD1A31041160FA" |
"CCF72BBB12CB2D09_02D23997B6792711_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC#CC1CCCCC1" | 21 | "2ABD1A31041160FA" |
"D14075F3CD4616BC_1C42F1F2280BEB2F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN(CC)C1CCC1" | 21 | "2ABD1A31041160FA" |
"9C8C742CB1A79B9D_FA55AE513AD2EF21_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(N)C1=NC=CC=C1" | 21 | "2ABD1A31041160FA" |
"ED225CD8E613E78B_CC1BD3B9B5D27831_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=COC(=N1)C(C)C" | 21 | "2ABD1A31041160FA" |
"39EF87F3B2F522C1_8D77292B96F9EA57_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=NC(=C1)F)F" | 21 | "2ABD1A31041160FA" |
"C440E15BBAEAD55E_C171CF7D8FD5217C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCCN(C)C1=O" | 21 | "2ABD1A31041160FA" |
"2C5BF54A6B20C4F2_0A59354903093E64_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=CC(=N1)CN" | 21 | "2ABD1A31041160FA" |
"BBC0637522DC8D1E_A850F41FB5251AD5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCC(C)(C)CC1" | 21 | "2ABD1A31041160FA" |
"664F4E4B22E91BEF_1C2478B58B02889C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1CC(C)NCC1" | 21 | "2ABD1A31041160FA" |
"AE1132D4E0F763DD_A003379A432AF01F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(NC)CCC(C)C1" | 21 | "2ABD1A31041160FA" |
"80998EC20B2DD6A4_AD0232851C95E4F9_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=CC(=C1Cl)N" | 21 | "2ABD1A31041160FA" |
"FF4DDDA0ABA22E31_ADFF8EF73D3C7E53_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CCN(C)CC1)C" | 21 | "2ABD1A31041160FA" |
"C617BF8AF3FDF973_1325AE5657D5624B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C)NC1CCCC1" | 21 | "2ABD1A31041160FA" |
"3DD43937C397AF05_3E69FCEF38082C46_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(NC)COC(C)C" | 21 | "2ABD1A31041160FA" |
"484A5EDA8AB00B36_959A6DC5258B1A8F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C([NH]N=C1C)C" | 21 | "2ABD1A31041160FA" |
"BD2FE0B37654ACD3_B2CBBBC9E82CC601_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC(=NS1)C(C)C" | 21 | "2ABD1A31041160FA" |
"F9D29BB1FC0A4E01_6AA55C2C0406F4BA_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1(CN)CCOC1" | 21 | "2ABD1A31041160FA" |
"C732C11433251B75_4CD707898DD2609A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=NC(=N1)C)C" | 21 | "2ABD1A31041160FA" |
"DC45B926F79A3806_E6717EEB7F7500DE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C1=CC=C(C)S1)N" | 21 | "2ABD1A31041160FA" |
"562BB828B5A7162A_8DCBACEABC3D4BE8_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC[N]1N=C(N)C=C1" | 21 | "2ABD1A31041160FA" |
"DA07FE567F37B986_3E7134844C9369D1_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC=CC(=C1)OC" | 21 | "2ABD1A31041160FA" |
"A7AA2FE3271F5E1E_E852939489FC3773_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOCC1CCCC1" | 21 | "2ABD1A31041160FA" |
"E880FE590E8618F7_A2040A46AB76B19C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1=CN=C[N]1C" | 21 | "2ABD1A31041160FA" |
"D3D9FC505343D704_C0E23BD6E2825E75_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1=N[N](C)N=C1" | 21 | "2ABD1A31041160FA" |
"65DFC0418B65BFDD_BB240BFC5612F2EE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCN1CCCCC1" | 21 | "2ABD1A31041160FA" |
"59B8DFBA48B0E589_7A7808257CC8965E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC=C(C=C1)Cl" | 21 | "2ABD1A31041160FA" |
"BABDB3FBB437DC9C_141A05D8426D11B2_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C)C(=CC=N1)N" | 21 | "2ABD1A31041160FA" |
"7BDFD89E46071D98_4E375F7B255D3973_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC(C)C1=CSC=C1" | 21 | "2ABD1A31041160FA" |
"64F98808ADD2C8B3_6D80C74E798E1D0C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(COC)CCNC1" | 21 | "2ABD1A31041160FA" |
"F808E6138B01E083_CC0BD6C24A34AAB5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C)(C)C1=CC=CS1" | 21 | "2ABD1A31041160FA" |
"B9380A1C0C57A2AA_D0BE1E2EF7DC6EF7_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C1=CC=N[N]1C)N" | 21 | "2ABD1A31041160FA" |
"A8DCDF3C2E1E0202_54FA44B9F0125A25_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC(=NO1)C(C)C" | 21 | "2ABD1A31041160FA" |
"2491BE6280CADA1B_65AFD1B3B1B76D93_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCC(F)(F)CC1" | 21 | "2ABD1A31041160FA" |
"21E1441CFEE36660_385BC478A1D90B90_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC=CC(=C1)N" | 21 | "2ABD1A31041160FA" |
"0F02197896D2E427_6A3A9C0C4A186735_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=CC(=C1)Cl)Br" | 21 | "2ABD1A31041160FA" |
"B4E8C1B9E630D7A1_72C1050D1345C9B0_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC=C(C=C1)Br" | 21 | "2ABD1A31041160FA" |
"ACE593B5B2AEC39B_68F02308DAB5310B_6031_UN" | "COC(=O)N(C)CCCC(=O)OC[C@H](N)C1=CC=CC=C1" | 21 | "2ABD1A31041160FA" |
"1966087C2BE67974_EA3B706870A67C5F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C[N](N=C1C)C" | 21 | "2ABD1A31041160FA" |
"65CA0B0A060674DB_9837A52BDD74E3D4_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=NC=C1)C#N" | 21 | "2ABD1A31041160FA" |
"004B1113F8E7860C_E5387966A82D6099_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNC1CCC(C)C1" | 21 | "2ABD1A31041160FA" |
"DBD52EA981EE1A62_F30B8DE43943785E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1=NC=NC=C1" | 21 | "2ABD1A31041160FA" |
"FE6570D4372D00B6_FA98DBB5BBCF5398_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=C(C=C1)Br)N" | 21 | "2ABD1A31041160FA" |
"A114CABA908CEBAD_426F6D15F20F29E5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC2=N[N]1CCCC1=C2" | 21 | "2ABD1A31041160FA" |
"8BC4ED4D6EDC6EDB_9B8F5B1387F63416_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(N)C1COCCC1" | 21 | "2ABD1A31041160FA" |
"9E918B8BDD374EA3_27EA0455C8DC4384_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C)C=NC=C1" | 21 | "2ABD1A31041160FA" |
"1D359934ECD1C0A9_BC4157B0CC8B88F5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(N)C1CCOCC1" | 21 | "2ABD1A31041160FA" |
"8220CA2FA62ED2D4_3550565CB6DE0BFD_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC=C(C)C=C1" | 21 | "2ABD1A31041160FA" |
"F5F92A592B907075_E685778E596F944E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNC1=NC=NC=C1" | 21 | "2ABD1A31041160FA" |
"CA61355DD1EF1714_F2CE8772886CB28A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CCC1)NC2CC2" | 21 | "2ABD1A31041160FA" |
"12D5B223E20DF11D_523FDAE350F3B74A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=C(C=C1)Cl)Br" | 21 | "2ABD1A31041160FA" |
"93DA6449526464AC_06E3997B688A5819_6031_DP" | "COC(=O)N(C)CCCC(=O)OCC(C1=CSC(=N1)C)N" | 21 | "2ABD1A31041160FA" |
"C09785221BB7A00C_1F032137F20AE6C4_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC2=C1CCC[N]1N=C2" | 21 | "2ABD1A31041160FA" |
"2C7B4217443074D4_AD03C6193C30A492_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC=C[N]1C(C)C" | 21 | "2ABD1A31041160FA" |
"979C2C70C54BDA46_4EB72272A3161117_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1CCCNCC1" | 21 | "2ABD1A31041160FA" |
"36D96AA89CAB34F1_ECEC1E6D13A91D17_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CN(C)C(CC1)=O" | 21 | "2ABD1A31041160FA" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.