product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"264179B8B81D8DEB_4DDD94DB13C047C7_6031_UN" | "O(C(=O)CC1CNCCC1)CCNC(C)C2=CC=C(Br)S2" | 21 | "C7C39F2BA1295965" |
"2EE36DF2B03BFA2A_6C7BB9D49A9BB6A6_6031_UN" | "O(C(=O)CC1CNCCC1)CCNCC2=C[N](CC)N=C2" | 21 | "C7C39F2BA1295965" |
"2DDF819BA574901B_FF1ABAA0507F3AAE_6031_DP" | "O(C(=O)CC1CNCCC1)CC(CC2=CC=N[N]2C)CN" | 21 | "C7C39F2BA1295965" |
"1FAE2331C65DCABC_8250E4F87A31F223_6031_UN" | "O(C(=O)CC1CNCCC1)CC2CCN(C(OC)=O)CC2" | 21 | "C7C39F2BA1295965" |
"B7BA4125628F01D0_E0D29604706B0C49_6031_DP" | "O(C(=O)CC1CNCCC1)CC(CN)CC2=NC=CC=C2" | 21 | "C7C39F2BA1295965" |
"0922BDD24A545F62_3E05C534702D07CC_6031_UN" | "O(C(=O)CC1CNCCC1)CCC(N)CC2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"CFBC8468DD0F21C6_716DEF11D87E20F4_6031_UN" | "O(C(=O)CC1CNCCC1)CCC2(CCC#C)OCCO2" | 21 | "C7C39F2BA1295965" |
"EDA639525D79DEED_8988CA3109DF9F54_6031_DP" | "O(C(=O)CC1CNCCC1)CC(CN)CC2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"7F64B8778411CD81_07B8BF083E4ADFD1_6031_UN" | "O(C(=O)CC1CNCCC1)CC(C)OCC2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"397BFF8B6E299581_A19955862B22FD32_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=NC3=C(N=N2)C=CC=C3" | 21 | "C7C39F2BA1295965" |
"2E7B8A36ECFC3065_8508D5EAF807F8B3_6031_UN" | "O(C(=O)CC1CNCCC1)CCC(C)(C)C2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"89059256A2A065E4_9965DCC05C7AC73B_6031_UN" | "O(C(=O)CC1CNCCC1)CCOC2(CN)CCOCC2" | 21 | "C7C39F2BA1295965" |
"BD0D9C4BB17D13F8_29503D6E4C98CFFC_6031_UN" | "O(C(=O)CC1CNCCC1)CC2(N)CC3=C(C2)C=CC=C3" | 21 | "C7C39F2BA1295965" |
"4D245DB8F76C3D54_C87CF0361BD2E740_6031_UN" | "O(C(=O)CC1CNCCC1)CC(N)C2=C(C(=CC=C2)Cl)F" | 21 | "C7C39F2BA1295965" |
"F0747F6DA938D8E4_3A18FC710418E232_6031_UN" | "O(C(=O)CC1CNCCC1)CC3=NC2=C(C=C(C=C2)Br)O3" | 21 | "C7C39F2BA1295965" |
"C58D1C7038BF028C_FA9F3C8A3FD19D20_6031_UN" | "O(C(=O)CC1CNCCC1)CC(CN)C2=CC=C(C=C2)Cl" | 21 | "C7C39F2BA1295965" |
"8E322DC43B20E32A_F477FE8207BBBD6E_6031_UN" | "O(C(=O)CC1CNCCC1)CC2C(CCNC2)C(F)(F)F" | 21 | "C7C39F2BA1295965" |
"9F9582183A32588C_9A61F7EF76913B1B_6031_UN" | "O(C(=O)CC1CNCCC1)CC(C)(N)C2=CC=C(C=C2)Br" | 21 | "C7C39F2BA1295965" |
"760E9DF13DFC9F0E_A01FB9F7864A87B9_6031_UN" | "O(C(=O)CC1CNCCC1)CCCOC2=CC=C(N)C=C2" | 21 | "C7C39F2BA1295965" |
"E8F1931415C6254E_4A2382A388722F7D_6031_UN" | "O(C(=O)CC1CNCCC1)CC=CC2=CC(=CC(=C2)Cl)Cl" | 21 | "C7C39F2BA1295965" |
"49D47720243B253C_1C0E0A8808697571_6031_UN" | "O(C(=O)CC1CNCCC1)CC(CN)C2=CC(=CC=C2)Cl" | 21 | "C7C39F2BA1295965" |
"700BC153EC3EC832_37376D6AE53E6B7B_6031_UN" | "O(C(=O)CC1CNCCC1)CC(C)(CN)C2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"93BD8AB03822EC87_F274626C5DF15513_6031_UN" | "O(C(=O)CC1CNCCC1)CC2CCN(CC(F)F)CC2" | 21 | "C7C39F2BA1295965" |
"B0C0FFAC834E7A15_E92774451D29270B_6031_UN" | "O(C(=O)CC1CNCCC1)CCC3=C[N]2C=CC=CC2=N3" | 21 | "C7C39F2BA1295965" |
"870F57ABDDDBCDE1_0B20E2CC39274963_6031_UN" | "O(C(=O)CC1CNCCC1)CCOC2(CCOCC2)C#N" | 21 | "C7C39F2BA1295965" |
"E5B574EA51E72F40_77CD340B1AA4CE17_6031_UN" | "O(C(=O)CC1CNCCC1)CC3=CC2=C(C=CC(=N2)Cl)O3" | 21 | "C7C39F2BA1295965" |
"E7027097B1669658_D0CAA4225C56EDAB_6031_UN" | "O(C(=O)CC1CNCCC1)CC=CC2=CC(=C(C=C2)F)F" | 21 | "C7C39F2BA1295965" |
"3A375A3C80E06BFE_CE8ECBA20E338918_6031_UN" | "O(C(=O)CC1CNCCC1)CC(C)(C)C(N)C2=CC=CS2" | 21 | "C7C39F2BA1295965" |
"7C45FA27D9F206E5_CCA379B40F49164C_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC=C([S](C)(=O)=O)C=C2" | 21 | "C7C39F2BA1295965" |
"51361599891AF070_3DB64EE97EE4F412_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C(OC)N=C(C=C2C)C" | 21 | "C7C39F2BA1295965" |
"586D0D0D4C3579CB_398D705ACE0FFBDC_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC(=NC=C2)OC(C)C" | 21 | "C7C39F2BA1295965" |
"19220C7AD414C8BF_C5DCF6F0F72BAF3E_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=NC(=CS2)C(OCC)=O" | 21 | "C7C39F2BA1295965" |
"D3C4D302F2D6DD62_B13966852BB094A9_6031_UN" | "O(C(=O)CC1CNCCC1)CC(C2(OC)CCC2)N=[N]#N" | 21 | "C7C39F2BA1295965" |
"E6DD0628B879DE7F_52EBD1EB461D5A8F_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C([S](C)(=O)=O)C=CC=C2" | 21 | "C7C39F2BA1295965" |
"62C3013D6FF33E66_2843C9CDC71B4DE1_6031_UN" | "O(C(=O)CC1CNCCC1)CC2OC3=C(OC2)C=CC=N3" | 21 | "C7C39F2BA1295965" |
"A6216A1D7BC797A5_5B52344F12712E43_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC(=CC(=C2)I)[N](=O)=O" | 21 | "C7C39F2BA1295965" |
"ABAA46633E4B5555_B588C38207187894_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=N[N](C)C(=C2)C(F)(F)F" | 21 | "C7C39F2BA1295965" |
"94A7C9CF1D42D488_F0180364807AD038_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC=N[N]2C3CCCC3" | 21 | "C7C39F2BA1295965" |
"AC1C623A761AFFFA_07DB7AC09B075CDC_6031_UN" | "O(C(=O)CC1CNCCC1)CC[N]2C=CC(=N2)C(F)(F)F" | 21 | "C7C39F2BA1295965" |
"96E0D48AA112E347_8DB3E21C7123D7CF_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C(N=C(C(C)C)C=C2)C" | 21 | "C7C39F2BA1295965" |
"1571C1D93F07B127_729F8705EF8FE1BA_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=NOC(=C2)C3=CC=CS3" | 21 | "C7C39F2BA1295965" |
"042D5164914DFBB0_4656A23109784DC2_6031_UN" | "O(C(=O)CC1CNCCC1)CC3(C(N)C2CC2)CCCO3" | 21 | "C7C39F2BA1295965" |
"E9B723BA8EE61D5D_01BE867DBB22C46A_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=NOC(=C2)C3=CC=CO3" | 21 | "C7C39F2BA1295965" |
"9FAD828C7E7111CE_DE034890D0C33417_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC(=C(C)C=C2)[N](=O)=O" | 21 | "C7C39F2BA1295965" |
"E2C9C3A8EEAF1695_4988B1101AE268D2_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C[N](N=N2)C3CCNC3" | 21 | "C7C39F2BA1295965" |
"2167B816436DB5EF_02EDB434E2E98FA1_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=N[N](C=C2)CC(F)(F)F" | 21 | "C7C39F2BA1295965" |
"49CF3E000ADBB982_7C25D3C6DF93B9CB_6031_UN" | "O(C(=O)CC1CNCCC1)CC[N]2C=C(Cl)C(=N2)[N](=O)=O" | 21 | "C7C39F2BA1295965" |
"D9AACDA313B5159A_505C89AA5FEFCF3E_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C[N](N=C2)CC(F)(F)F" | 21 | "C7C39F2BA1295965" |
"FD8B17E52F3AFAA8_6ECEB6F42B0F7C94_6031_UN" | "O(C(=O)CC1CNCCC1)CC2(NC(C)C)CCNCC2" | 21 | "C7C39F2BA1295965" |
"BD15F3C02016F3E0_E149E355DD8D5556_6031_UN" | "O(C(=O)CC1CNCCC1)CC(NC)C2=CC=C(C=C2)Cl" | 21 | "C7C39F2BA1295965" |
"0C8A87D56CEEC531_DB6B53EA2C7C79A9_6031_UN" | "O(C(=O)CC1CNCCC1)CCOC2=C(C=C(C=C2)Cl)Br" | 21 | "C7C39F2BA1295965" |
"97C8C049D1A67B6A_726581AE0FF60620_6031_UN" | "O(C(=O)CC1CNCCC1)CCCN(C)C2CCNCC2" | 21 | "C7C39F2BA1295965" |
"D663BDCA4699594F_D94F5587694C68B4_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C(N(C)C)N=CN=C2Cl" | 21 | "C7C39F2BA1295965" |
"486DC44C8048D610_9EADD83C9AE31991_6031_UN" | "O(C(=O)CC1CNCCC1)CC3=C2C=CC=CC2=CN=C3" | 21 | "C7C39F2BA1295965" |
"E5138BBAF0C945E7_B30AB81B977D5D9E_6031_UN" | "O(C(=O)CC1CNCCC1)CCCC(N)C2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"57CD7387CABE59EB_E53ED25A5F239DA7_6031_UN" | "O(C(=O)CC1CNCCC1)CC(F)COC2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"F7496C7E05392F87_B41DB5DB8AFD9DCE_6031_UN" | "O(C(=O)CC1CNCCC1)CCC(C(OC(C)C)=O)(C)C" | 21 | "C7C39F2BA1295965" |
"FFBCFB4E8486AD1E_0C14C2B6F0C22F17_6031_UN" | "O(C(=O)CC1CNCCC1)CCCCC2=CC=C(N)C=C2" | 21 | "C7C39F2BA1295965" |
"5973A825A1EC8FED_D97DB51C239D2B33_6031_DP" | "O(C(=O)CC1CNCCC1)CCC2=C[N](CC(O)=O)N=N2" | 21 | "C7C39F2BA1295965" |
"123E1FDEC9633D68_52BE56FC8FE77678_6031_UN" | "O(C(=O)CC1CNCCC1)CC3=CC2=C(C=CC(=C2)N)O3" | 21 | "C7C39F2BA1295965" |
"EB955BF4F18684AE_DCC1863CCBD193C3_6031_UN" | "O(C(=O)CC1CNCCC1)CCNC2CC(OC(C)C2)C" | 21 | "C7C39F2BA1295965" |
"0C5FDE361726C8A6_6C4661B0897BDFCD_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=NC(=C(C(OC)=O)S2)C" | 21 | "C7C39F2BA1295965" |
"F18C3DDEFC1A51AA_52CA42BD57332FB6_6031_UN" | "O(C(=O)CC1CNCCC1)CCNC2=C(OC)C=CC=C2" | 21 | "C7C39F2BA1295965" |
"BBD23C8F39227310_8960E2227F4EAA30_6031_UN" | "O(C(=O)CC1CNCCC1)CCN2CCC3=C2C=CC=C3" | 21 | "C7C39F2BA1295965" |
"0BA1603467F02A4B_6E22873CEB0AFCD7_6031_UN" | "O(C(=O)CC1CNCCC1)CC3=NC=C2OCCCC2=C3" | 21 | "C7C39F2BA1295965" |
"20F5A134304962E3_0733BC8A7B0CA6B0_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC=C(C=C2)SCC#C" | 21 | "C7C39F2BA1295965" |
"435EA7091A9320CB_545863E1B76216AE_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C([N](N=C2C)C(F)F)C" | 21 | "C7C39F2BA1295965" |
"EEF397413087F24D_AEDC458271297ECD_6031_UN" | "O(C(=O)CC1CNCCC1)CCCN(CC)CC(F)(F)F" | 21 | "C7C39F2BA1295965" |
"44F5A8BF6D57B4BB_35CF22729ED87166_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC=C(C=C2)OCC#C" | 21 | "C7C39F2BA1295965" |
"3E1FFF42FC6AB46E_6CA0C3273B0E4875_6031_UN" | "O(C(=O)CC1CNCCC1)CC(C)NCC2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"FF347893FEB5622F_A12BB6ABC242E1EB_6031_UN" | "O(C(=O)CC1CNCCC1)CC(C)C2=CC(=C(C=C2)Cl)Cl" | 21 | "C7C39F2BA1295965" |
"853280693632C75F_6E8A0814DDEFD783_6031_UN" | "O(C(=O)CC1CNCCC1)CCCCN2C(=O)CSC2=O" | 21 | "C7C39F2BA1295965" |
"A3320BDF0E55EBE7_62CDE98AF2185513_6031_UN" | "O(C(=O)CC1CNCCC1)CC3CC2=C(C=CC(=C2)F)O3" | 21 | "C7C39F2BA1295965" |
"4785E0BC533D295E_DB6E73E42E517185_6031_UN" | "O(C(=O)CC1CNCCC1)CC(NC)CC2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"0DDD431F83B0D8C8_964FF07882A80390_6031_UN" | "O(C(=O)CC1CNCCC1)CCC(CN)C2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"F94A853574486DAB_B07C27F2D189E0AB_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=NN=C3C=CC(=N[N]23)Cl" | 21 | "C7C39F2BA1295965" |
"752E8877831FDDFF_9252F94728CAD994_6031_UN" | "O(C(=O)CC1CNCCC1)CCN[C@@H](C)C2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"7BF955DD428BD901_88B37711478193DA_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC(=CC=C2)OCC#C" | 21 | "C7C39F2BA1295965" |
"1EB90502CFC67BC0_1C1CA5D77D61B983_6031_UN" | "O(C(=O)CC1CNCCC1)CCC2=C(C=CC=C2)[N](=O)=O" | 21 | "C7C39F2BA1295965" |
"CE16AAE8FE1651B6_0EC9FDE06DA0026A_6031_UN" | "O(C(=O)CC1CNCCC1)CCCC2=C(C=CC=C2F)Cl" | 21 | "C7C39F2BA1295965" |
"E644DAFC2CF1786D_B44D12731EA65832_6031_UN" | "O(C(=O)CC1CNCCC1)CCCNC2=C(N)C=CC=C2" | 21 | "C7C39F2BA1295965" |
"4944844E4681081E_A064A57B63C919DE_6031_UN" | "O(C(=O)CC1CNCCC1)CCNCCN2CCOCC2" | 21 | "C7C39F2BA1295965" |
"545495A7BF377CE5_90662CF1CB340283_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C(OCC)C=CC(=C2)N" | 21 | "C7C39F2BA1295965" |
"6437F54A75AB2822_102B8F5E96FF10BA_6031_UN" | "O(C(=O)CC1CNCCC1)CC(OC)CC2=CC=CC=C2" | 21 | "C7C39F2BA1295965" |
"CC48D9268EC95183_5924FF8B5825A890_6031_UN" | "O(C(=O)CC1CNCCC1)CCC2=C[NH]N=C2C(F)(F)F" | 21 | "C7C39F2BA1295965" |
"07DF64D90D6971B6_403D5EBC9AC5D102_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=N[N](C=C2)C3CCCC3" | 21 | "C7C39F2BA1295965" |
"93C369EA60166D47_EF3936C1E725611C_6031_UN" | "O(C(=O)CC1CNCCC1)CCCCCC2(C)OCCO2" | 21 | "C7C39F2BA1295965" |
"C0515DCBD3CBEEC7_9E92BB543FB66B25_6031_UN" | "O(C(=O)CC1CNCCC1)CCCNC2=CC=C(C=C2)Cl" | 21 | "C7C39F2BA1295965" |
"0213C2FBF82EE6E7_2FC1D3EF406396EE_6031_DP" | "O(C(=O)CC1CNCCC1)CC(CN)C2=CC=C(C=C2)F" | 21 | "C7C39F2BA1295965" |
"FFD60927C420ADF6_84E7C493C2FB237E_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC=CC(=C2)[S](C)(=O)=O" | 21 | "C7C39F2BA1295965" |
"136A88FD721AB076_2C7EE8D06EE9A5C9_6031_UN" | "O(C(=O)CC1CNCCC1)CC2(C(C(C)C)N)CCCC2" | 21 | "C7C39F2BA1295965" |
"0213C2FBF82EE6E7_8CED39923E4B3DEE_6031_UN" | "O(C(=O)CC1CNCCC1)CC(CN)C2=CC=C(C=C2)F" | 21 | "C7C39F2BA1295965" |
"71959290EAAB2026_9EA32211638CAC63_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C(C=CC=C2)C(F)(F)F" | 21 | "C7C39F2BA1295965" |
"476D62FF1A6D0270_7EF8ACA4496DB79A_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=NC3=C(N=C2)C=CC=C3" | 21 | "C7C39F2BA1295965" |
"7A8B2967DD227C09_97DC698D87FED457_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC(=C(C(OC)=O)O2)C" | 21 | "C7C39F2BA1295965" |
"11E7C7EA2FBB7B60_7FDB3466BCE88ED3_6031_UN" | "O(C(=O)CC1CNCCC1)CC2(CNC2)C3=CC=CC=C3" | 21 | "C7C39F2BA1295965" |
"AACB240DC0C1BA1C_5ABA2F0BAEF3EF64_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C(C=C(C(=C2F)F)F)Br" | 21 | "C7C39F2BA1295965" |
"05F72795FFDF36E5_B24B777983714B35_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=CC=C(C(C)(C)C)C=C2" | 21 | "C7C39F2BA1295965" |
"1673293F2E6B58E7_FB7E74A3A0EDD521_6031_UN" | "O(C(=O)CC1CNCCC1)CC2=C(C=C(C=C2)N=[N]#N)F" | 21 | "C7C39F2BA1295965" |
"2CA148F48CF42FF5_A0120BD6D7243E35_6031_UN" | "O(C(=O)CC1CNCCC1)CC2(C(C(C)C)N)CC=CC2" | 21 | "C7C39F2BA1295965" |
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