product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"24417EAA0313EA6E_C3FE3864FDF020C1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=CC(=N1)N)Cl" | 21 | "B8E727524D67CD59" |
"902F05F7A835C993_2320469FC5FB28E2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(CC)N(CC)CC" | 21 | "B8E727524D67CD59" |
"0A6E0E98EC74202B_054296C551DDF0C4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=CC(=N1)OC" | 21 | "B8E727524D67CD59" |
"72BC16516891F0CE_A0D498E4EA3A2018_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)C1CCCCC1" | 21 | "B8E727524D67CD59" |
"F441A07AE7335476_00BCAA4164B338A0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1C(CNCC1)=O" | 21 | "B8E727524D67CD59" |
"0131FDB079800FD3_2DD7F00F8DCF9C44_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=CC(=C1)F)Br" | 21 | "B8E727524D67CD59" |
"571FFC287A3ADF7C_C7BBCEE1C179236E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C1=C(C)C=CS1)N" | 21 | "B8E727524D67CD59" |
"F5EF28794DAB458B_52965775D6164C77_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC1=C(CC)OC=CC1=O" | 21 | "B8E727524D67CD59" |
"C4021375ABB229C5_A274FBF1EC04532C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(CC)(CC)CN" | 21 | "B8E727524D67CD59" |
"596729739C10DA3E_8A56FC06942CF2EE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C=C1)Cl)Cl" | 21 | "B8E727524D67CD59" |
"6E8836BF92501AB7_12284A2A2E127C61_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1=NN=CC=C1" | 21 | "B8E727524D67CD59" |
"32DAD0EAFAE4238C_2123576DCD58F3B3_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOC1CCNCC1" | 21 | "B8E727524D67CD59" |
"35B5CCA7F7B7744B_C60B3105202F3DC0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCCC(C)C1" | 21 | "B8E727524D67CD59" |
"B939B19AB6437B93_735A05828F42114E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C)C=C(C=C1)Br" | 21 | "B8E727524D67CD59" |
"D35D4F8BDE115F27_D4E3519CE38EC6BF_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCCN(C)C1" | 21 | "B8E727524D67CD59" |
"B5E53BA791633812_3C58D9A8900C04B8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1C(N)CCCCC1" | 21 | "B8E727524D67CD59" |
"5ED618101C372E39_53A7B8AE1D31DD01_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCN(C(C)=O)C1" | 21 | "B8E727524D67CD59" |
"155AAEED8E585628_45A8571028B5233E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CC12CCOCC2" | 21 | "B8E727524D67CD59" |
"3882F30F12F6279F_DC9093C1AAD91A08_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCC[S]1(=O)=O" | 21 | "B8E727524D67CD59" |
"53344B6578F0895E_7B9DE16BE68EDC3E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NN=C[N]1CCC" | 21 | "B8E727524D67CD59" |
"0CB1486706554035_C519CB60775787A2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOCCCCCC" | 21 | "B8E727524D67CD59" |
"F5AE41C288B99591_441F861296E450CE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCCN1CC" | 21 | "B8E727524D67CD59" |
"7A39C9E2693C4957_E4C77A91507CF5B0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C(=CC=C1)F)I" | 21 | "B8E727524D67CD59" |
"ED7680BD7424B634_A027DB34E3D729C2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC=CC1=CC=CC=C1" | 21 | "B8E727524D67CD59" |
"72B34B8968B1E2AB_18BBC2EB35678B92_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN(C)CC(F)(F)F" | 21 | "B8E727524D67CD59" |
"0F90527B5FEBD6B9_BCD2735430B39024_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN(C(OCC)=O)C" | 21 | "B8E727524D67CD59" |
"FB4F36C53BEF0A54_B4B70291FCB05246_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCC(C)(C)C1" | 21 | "B8E727524D67CD59" |
"F0FDF38E7E61DA9D_DE432DFEFD10CA6B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CN)CCOCC1" | 21 | "B8E727524D67CD59" |
"BBEE860324DAD135_76128F79EADA6F66_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NN=C(OC)C=C1" | 21 | "B8E727524D67CD59" |
"27B7AB1C58863391_7D89557546D580CD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNCC1=CSC=C1" | 21 | "B8E727524D67CD59" |
"86DF54692E13FD23_C3A0D6B0E7C9F43F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N)C(=CC=C1)F" | 21 | "B8E727524D67CD59" |
"E29BFF445250C30A_B6305BB52DC9B2B7_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(NCCOC)(C)C" | 21 | "B8E727524D67CD59" |
"C32AFF4FC67DF0CF_B8D512D5F52E23CD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C(=CC=N1)Cl)Cl" | 21 | "B8E727524D67CD59" |
"4D814925CFE772D6_5B74C495BE110EE3_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CCCCC1=O" | 21 | "B8E727524D67CD59" |
"CFD7CE49D67BA480_AA0CC28E76B382A1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCNC(NCC)=O" | 21 | "B8E727524D67CD59" |
"B0ED9D027BD385C4_2729881851256AA7_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(N)C1=CC=CS1" | 21 | "B8E727524D67CD59" |
"8B20C4EE1C3648AC_59086BEE99E1CA5A_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCCN1CCCNCC1" | 21 | "B8E727524D67CD59" |
"6ABC44656854B9F8_AD228F574CE4B2A6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=NC(=N1)N)N" | 21 | "B8E727524D67CD59" |
"421172373D4D1EBF_DD75BC770F8E98F4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC(=CC=C1)Cl" | 21 | "B8E727524D67CD59" |
"B82BD69F980CA368_CD413383640F295C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC[N]1C=C(C)C(=N1)N" | 21 | "B8E727524D67CD59" |
"776DD6676A97F215_4D99647FA4762E2A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1COC(C)(C)O1" | 21 | "B8E727524D67CD59" |
"2E9573C526077096_705E99C0A07500E1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(CN)C=CC=C1" | 21 | "B8E727524D67CD59" |
"0989755F8B9D2813_5034E42DF83823D2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(CC(C)C)CN" | 21 | "B8E727524D67CD59" |
"508D060C781DBCAF_5AAA6C7AC30CB1E9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1C(N)C2CCC1C2" | 21 | "B8E727524D67CD59" |
"172F24EB700E4575_575D0B053F6BA20F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CN(CC)C(C1)=O" | 21 | "B8E727524D67CD59" |
"59DA91F752881CAC_0C4C7D9341F9090D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCN1CCC" | 21 | "B8E727524D67CD59" |
"C3BA496125CAC61E_C22A195D84A421D8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CCN(C)CC1" | 21 | "B8E727524D67CD59" |
"4F1594E9ABF51827_D7FC26D2CCB74C2A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CC)CCNCC1" | 21 | "B8E727524D67CD59" |
"3AB645D72945B480_FB00E5D37D3960CB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C(=CC=C1)F)Cl" | 21 | "B8E727524D67CD59" |
"4EA150EE2F9B631F_04CA1CB79BD25356_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCC(C)CC1)N" | 21 | "B8E727524D67CD59" |
"AB6DBFFDA5C66238_F89800C70A8D4EE1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1(C)CCCN1" | 21 | "B8E727524D67CD59" |
"6EBA1DB306590BFE_A67841025CAC12FD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CC2CCC1C2" | 21 | "B8E727524D67CD59" |
"0E511953022822C1_D934E9382624C16E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=C(C=C1)CCl" | 21 | "B8E727524D67CD59" |
"09E6773ACDC32672_38DEA801EADF35F9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCCCC1)C#N" | 21 | "B8E727524D67CD59" |
"274ACE00EE1A7DCC_2EDDE7536B0AD841_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN(CCC)CCC" | 21 | "B8E727524D67CD59" |
"725B2C2E80534011_365C2FC94C6AC1ED_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NN=C[N]1C2CC2" | 21 | "B8E727524D67CD59" |
"FDACDEA41ADE18FF_E48C33885562D19A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)(C)C1CCCC1" | 21 | "B8E727524D67CD59" |
"E268DA6715162831_115E3A9B16468F7D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(SC)C=CC=C1" | 21 | "B8E727524D67CD59" |
"35B6C85FD770BE6B_E24F4801B2F80ABB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(COCC)CCC1" | 21 | "B8E727524D67CD59" |
"CFF5D7300C3C3BB4_36B93B911A5C6477_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1CCNCC1" | 21 | "B8E727524D67CD59" |
"43702CC6B86EAB79_2DB4E9DC4F928046_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C1=C[N](C)N=C1)N" | 21 | "B8E727524D67CD59" |
"B879306E3F4245F6_2F1FBFCF54F74D7D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N=C(C)N=C1)N" | 21 | "B8E727524D67CD59" |
"570BC7FAFAE10F43_1A4479B3418EC896_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N)C=C(C=C1)Cl" | 21 | "B8E727524D67CD59" |
"D135DBCBA8934E38_F0F17B8E6E125922_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1=CC=CC=C1" | 21 | "B8E727524D67CD59" |
"E21DEF064D99A113_2576018200F5DB10_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCOCC1)C#N" | 21 | "B8E727524D67CD59" |
"7A48C0E7110A576B_58A36829649DC28B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C)C=CC(=C1)Br" | 21 | "B8E727524D67CD59" |
"B98AEA6B39353CEC_C3543F5E2E985625_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CCOCC1=O" | 21 | "B8E727524D67CD59" |
"F0017983CFA7936C_2BE20A0D908FD221_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C)C=C(C=C1)F" | 21 | "B8E727524D67CD59" |
"C97368BE619D4D6B_8D41FE709911F412_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1CCCCC1" | 21 | "B8E727524D67CD59" |
"041EDCCB58B23D7A_23ADBB91E30DDFAE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=CC=C1F)F" | 21 | "B8E727524D67CD59" |
"156FD8883EBD0998_7630D3E396D23A3F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=CC(=N1)F)Br" | 21 | "B8E727524D67CD59" |
"AA72FBB3B5C4F242_CD6AA53DD0B5800E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C)C=C1)F" | 21 | "B8E727524D67CD59" |
"C083654334BDAC74_DADD8B58DCC0B8A9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCC(CN)N1" | 21 | "B8E727524D67CD59" |
"815EAE1E33F3249A_073EFF2D160EE44C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=CC(=C1)C)Cl" | 21 | "B8E727524D67CD59" |
"52464B9BAFC79662_5CF843B604DF9DB7_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CN=C(C)C=N1" | 21 | "B8E727524D67CD59" |
"348927BCEEF97BFB_966E52667C926C45_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1CCNCC1" | 21 | "B8E727524D67CD59" |
"7DE7DF1CF5AAD21E_E444C10B2D121EC7_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN(C)CC=C(C)C" | 21 | "B8E727524D67CD59" |
"F575CEC3CBBA66A0_A6F6569FD059AB88_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=CC(=C1)Cl)Cl" | 21 | "B8E727524D67CD59" |
"6C0027B9F6E6270E_949E39C673592DB3_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=C(C(C)C)S1" | 21 | "B8E727524D67CD59" |
"6F69FA2516F0BB60_B03FE6FEB62C6B46_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=NO1)N(C)C" | 21 | "B8E727524D67CD59" |
"89A97AA2C8C04643_C2696149F5B17711_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(N)C=C1)Cl" | 21 | "B8E727524D67CD59" |
"58ED52F289C3D883_BD7261BE01EB2D37_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=NN=C([N]1C)S" | 21 | "B8E727524D67CD59" |
"B16C14411D7B613B_9843CA75E4BD3066_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C=C1)Cl)Br" | 21 | "B8E727524D67CD59" |
"5F643274893D7FCB_24B5BCA2210D89A9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CCNCC1C" | 21 | "B8E727524D67CD59" |
"E3E4DA0195FAD5CA_CA41CC813031AB4D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C)C=C1)C" | 21 | "B8E727524D67CD59" |
"F1FE0897A02A5959_8B5D460228A350EA_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCCN(C)C1)C" | 21 | "B8E727524D67CD59" |
"3112F018A2C67C40_CD785AE619A74539_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=CC=C1)C#C" | 21 | "B8E727524D67CD59" |
"07306F661B213420_441AF3E2D58E9542_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CC)CNCCC1" | 21 | "B8E727524D67CD59" |
"07E9544901FCC4C3_532B761D416B7CAD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1CCOCC1" | 21 | "B8E727524D67CD59" |
"5C7C08036D70B880_8B705469461F9787_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C)C=C1)Br" | 21 | "B8E727524D67CD59" |
"AB6B52DE0BF5BEB1_F03B42BD88380A31_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1=NC=C[N]1C" | 21 | "B8E727524D67CD59" |
"FDA43D444FC2377D_CC4D1920564E4007_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=CC(=C1)NC" | 21 | "B8E727524D67CD59" |
"CC05807607D08E4F_AAB2A349F43A20AB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)NCC1CCC1" | 21 | "B8E727524D67CD59" |
"280C0CA98C175D58_7E59594D573BBFCB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(CCOC)(C)C=C" | 21 | "B8E727524D67CD59" |
"50645BF360EBC59E_E20ACF79810E869A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C[N](CC)N=C1" | 21 | "B8E727524D67CD59" |
"CD716279ACAA6BCA_F54D671B8D99A3D1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C=C1)Br)Cl" | 21 | "B8E727524D67CD59" |
"F1EA11731D5C70F4_8B7AC83A451A9E13_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1NCC[S](C1)(=O)=O" | 21 | "B8E727524D67CD59" |
"4C6A4806AFE467D1_3F017F4E221A51B2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=NC=C1)NC" | 21 | "B8E727524D67CD59" |
"FDA7346607520161_DB182E186B0DED4F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C=C1)I)Cl" | 21 | "B8E727524D67CD59" |
"841146AC98DB311C_6D561456B0ADF728_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C[N](C)C(=C1)C#N" | 21 | "B8E727524D67CD59" |
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