product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"B8ED61497788139C_B2D45FBB8DC99EAA_6031_DP" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OC[C@@H](C)N" | 21 | "93C49756F07983BD" |
"663637AF3876491F_F7D4F98CA0A5DA9B_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC#CBr" | 21 | "93C49756F07983BD" |
"BCD502D332D8DF76_7990C0B9743D4215_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(C)Cl" | 21 | "93C49756F07983BD" |
"0CA252D4EDC3160A_6929AF3BC31B4DA8_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCF" | 21 | "93C49756F07983BD" |
"E13A34BCBFF0B04C_EDEAB6823219AE32_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(N)=S" | 21 | "93C49756F07983BD" |
"529FF0EFB8D39406_EC726B6448D17015_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCS" | 21 | "93C49756F07983BD" |
"11B552289585492D_93834B36921A707B_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCC" | 21 | "93C49756F07983BD" |
"B9D818C12783274A_FA697D8BFAC076B5_6031_DP" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OC[C@H](C)N" | 21 | "93C49756F07983BD" |
"9CFD5EFB9A4C3C4C_11E182C0504CE48F_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCN" | 21 | "93C49756F07983BD" |
"C0264E8F3C7F08B6_B1E00522A5FC253C_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCBr" | 21 | "93C49756F07983BD" |
"E4FAAEBA753D7C25_F43C3195005A891C_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(C)C" | 21 | "93C49756F07983BD" |
"28AAF2D5ABD19E08_4BDD169722446E43_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCNC" | 21 | "93C49756F07983BD" |
"E44ACC4DC7444CA0_C676EF540BC911AB_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC2CC2" | 21 | "93C49756F07983BD" |
"B5D77D7B1593B2A6_98F9539A70D5C2AC_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCC=C" | 21 | "93C49756F07983BD" |
"D744F9D9939BD4EE_59F1F9C1B6C7C2C0_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCC#C" | 21 | "93C49756F07983BD" |
"7E64EB540D405C3F_439B8A1D76C2D80F_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCCl" | 21 | "93C49756F07983BD" |
"335A8E309D71673A_ED61048835A5FEA0_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCC#N" | 21 | "93C49756F07983BD" |
"598943B29E9A2678_921759D34C0EF688_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(F)Br" | 21 | "93C49756F07983BD" |
"9CFD5EFB9A4C3C4C_1F01D98BDA633DCB_6031_DP" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCN" | 21 | "93C49756F07983BD" |
"C49BD652BE5F7C94_25F1D98A59D23EBA_6031_DP" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCNN" | 21 | "93C49756F07983BD" |
"9CFD5EFB9A4C3C4C_80C09CBDDDDEEE47_6031_DP" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCN" | 21 | "93C49756F07983BD" |
"755790218EED4A7D_DA82470DC28511B1_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(=C)F" | 21 | "93C49756F07983BD" |
"83FAA0FD6DE26B26_DE4A0310206CE514_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC=CBr" | 21 | "93C49756F07983BD" |
"9947FEE282080ED3_4C8EAE19562E9A01_6031_DP" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCO" | 21 | "93C49756F07983BD" |
"0095299089DEF8F0_A295C101EBF3BB26_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCOC" | 21 | "93C49756F07983BD" |
"702419A9F759977E_F69156A16AE6A592_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OC[C@@H]2CO2" | 21 | "93C49756F07983BD" |
"760E551BE03D1C37_119E0728E422EEB5_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OC[C@H]2CO2" | 21 | "93C49756F07983BD" |
"064545AD20EB19C6_FFA78420A589BDD1_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC2CO2" | 21 | "93C49756F07983BD" |
"C830C8F0A838F498_FBE7E2FC3D676802_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(Cl)Cl" | 21 | "93C49756F07983BD" |
"FA3E885C29487197_AC1BD2EE7A8C5C7B_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(=C)Cl" | 21 | "93C49756F07983BD" |
"2856EA9817A21778_CBF469F6254DE1C3_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(C)F" | 21 | "93C49756F07983BD" |
"BA7C74BAEE0F1CEE_75B860EB53A87024_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC=CCl" | 21 | "93C49756F07983BD" |
"F76496210A82870F_EB3035A969EB639F_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCC(C)Br" | 21 | "93C49756F07983BD" |
"D18E6EE3B8D6CF59_3E9053BD44F5F4DD_6031_UN" | "CCC(OC1=CC(=CC=C1)C(C)(C)C)C(=O)OCCCI" | 21 | "93C49756F07983BD" |
"3A80E9A8F5B956E8_271EA42EAC1B9197_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2COC(C)(C)O2)C" | 21 | "82BCC4E1E17351EF" |
"9C1D6569447BF50E_3E21EFBF1BF39390_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCCCCCBr)C" | 21 | "82BCC4E1E17351EF" |
"884EDD3FA45F8C14_8E1D22633824877E_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCNC2CCCC2)C" | 21 | "82BCC4E1E17351EF" |
"5A10711A3B348A25_82890C6FB178744B_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2CCCN2C)C" | 21 | "82BCC4E1E17351EF" |
"A5AFC6E74636FE02_9409AB2F63C413D1_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2CCCCC2)C" | 21 | "82BCC4E1E17351EF" |
"52077322E64DDB15_D325C145BFD7E7F7_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2CCCCC2N)C" | 21 | "82BCC4E1E17351EF" |
"06BC83067BC3D175_AA6ACDB32852359E_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CC=CC(=C2)N)C" | 21 | "82BCC4E1E17351EF" |
"1B826C0C88C2AFEB_0B309601314C325F_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCN2CCNC2=O)C" | 21 | "82BCC4E1E17351EF" |
"6906732927CC6C8C_93F9C51B1543839F_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(C)(C)CCCN)C" | 21 | "82BCC4E1E17351EF" |
"2E1E5FDB742E51C7_83F43653B4D5AADE_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=C(N=C(C)S2)C)C" | 21 | "82BCC4E1E17351EF" |
"F557EBBCAD3056B3_285CCBA18AED6F31_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCNCCCCC)C" | 21 | "82BCC4E1E17351EF" |
"26EB0716323F422F_75E10948C95299A4_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CC(=CC=C2)Cl)C" | 21 | "82BCC4E1E17351EF" |
"FCBE0B9903955717_C25196F212FD6C6E_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2CCC(N)CC2)C" | 21 | "82BCC4E1E17351EF" |
"B37F10A0068BBBC3_8B9F62F4AB602B02_6031_DP" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CN=C(N)C=C2)C" | 21 | "82BCC4E1E17351EF" |
"990B57B6D8B2477D_57DC2808494D336E_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CC(=NC=C2)Cl)C" | 21 | "82BCC4E1E17351EF" |
"17EAC0C5CAAF30C1_248B0ABAD5B3E3B8_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2(N)CCCCC2)C" | 21 | "82BCC4E1E17351EF" |
"8E59423EEF21D0E3_E9C0031326ACD6D2_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=NC=C[N]2CC)C" | 21 | "82BCC4E1E17351EF" |
"E254B74E9F16EF9C_04068BDC0DF7F923_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2=NC=CN=C2)C" | 21 | "82BCC4E1E17351EF" |
"15762A4A1F4D9248_B902C01FBE005714_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2CCN(C)CC2)C" | 21 | "82BCC4E1E17351EF" |
"7E0701A0DA77A402_C4786ACB0B38982F_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCOCCC(C)C)C" | 21 | "82BCC4E1E17351EF" |
"67AE9FBE684AFD94_AC1F2B8154501D2C_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCN2CCOC2=O)C" | 21 | "82BCC4E1E17351EF" |
"E34B264B567038DA_81EFFB7DFC266FB0_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=NC=C[N]2C=C)C" | 21 | "82BCC4E1E17351EF" |
"2CC5BA1416369EEF_80691B25A192CA29_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC[N]2C=C(N)C=N2)C" | 21 | "82BCC4E1E17351EF" |
"EEA6A6B0EE769CAE_99C3DB09C594A60D_6031_DP" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2NC(OC2)(C)C)C" | 21 | "82BCC4E1E17351EF" |
"58002064B8D20179_76B867755A46095E_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=C([NH]N=C2C)C)C" | 21 | "82BCC4E1E17351EF" |
"75A6F31AFF3066CD_DEBB334D09EB0669_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=NC=C([N]2C)Cl)C" | 21 | "82BCC4E1E17351EF" |
"D6F1E04DAF1A2019_7000513F6429B21A_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OC[C@H]2COC(C)(C)O2)C" | 21 | "82BCC4E1E17351EF" |
"7139827EAE8A3FB0_3E28B4C657D71121_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(NC(C)C)(C)C)C" | 21 | "82BCC4E1E17351EF" |
"A43C50D0FB6343CE_B2978F4C0992318F_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC[N]2N=C(N)C=C2)C" | 21 | "82BCC4E1E17351EF" |
"EB92CF3920A22B65_A4E06686D63EE337_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCC2CCCN2)C" | 21 | "82BCC4E1E17351EF" |
"2202E477FC78BBA4_8CF5EB0715C049EF_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCNCC(C)(C)C)C" | 21 | "82BCC4E1E17351EF" |
"CB67DAE4F23CBFA3_2EEF727919CFDFBE_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CSC(=N2)CC)C" | 21 | "82BCC4E1E17351EF" |
"E9B80034CC2CA778_7752937EF45515D4_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC[N]2C=CC=N2)C" | 21 | "82BCC4E1E17351EF" |
"C0A2BD9C7A9AA8F0_4B7D885F216380AF_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CN=C(C)C=N2)C" | 21 | "82BCC4E1E17351EF" |
"D2F4331A2A66C74B_BEA076593FAE5057_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCC2=C[NH]C=N2)C" | 21 | "82BCC4E1E17351EF" |
"1F8B1BCA48B924B6_BE7EEE53A4A0788F_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC[N]2N=C(N)N=C2)C" | 21 | "82BCC4E1E17351EF" |
"2E272AA05ADBFBA7_2F34F60E7A8A8A7B_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(CC(C)C)(C)N)C" | 21 | "82BCC4E1E17351EF" |
"0410DB11EF331684_D74CA02424B8FCC9_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2CCN(CC)C2)C" | 21 | "82BCC4E1E17351EF" |
"777E2D229DD5EBF5_A9DF9CB8FCC489F1_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCOCC(C)C)C" | 21 | "82BCC4E1E17351EF" |
"4D31EAECB169A767_A7C48700FC9B3EB0_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCNC(C)(C)C)C" | 21 | "82BCC4E1E17351EF" |
"564E429194C8B150_43AAADF7F7C7D305_6031_DP" | "CC(C)CC1=NC(=C(S1)C(=O)OCC23CC(CNC2)C3)C" | 21 | "82BCC4E1E17351EF" |
"BD8DFC9C93064107_32F33742FD730D36_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2(CC2)C(F)(F)F)C" | 21 | "82BCC4E1E17351EF" |
"F135E82F93A43D7B_B8D57DA36F2FF461_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(N)C2=CC=CO2)C" | 21 | "82BCC4E1E17351EF" |
"EEB3C81D0FA9D173_55DECC57B8DF65FB_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC(CCC)CN)C" | 21 | "82BCC4E1E17351EF" |
"75411C1A86FFB4E5_2BC2629795994BA7_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCN2CCSCC2)C" | 21 | "82BCC4E1E17351EF" |
"E6B223287078E5A0_BC9E9455341780B0_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(C(OCC)=O)C)C" | 21 | "82BCC4E1E17351EF" |
"86F6A457966E7EE1_1023DE294B64347A_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(C)CC(C)(C)N)C" | 21 | "82BCC4E1E17351EF" |
"00BED276BAEFA038_D91E6A53FD5DE0AF_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(C(C)(C)N)(C)C)C" | 21 | "82BCC4E1E17351EF" |
"4CBB4C381E7E7C12_C7558309CF27B658_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=C(N)N=CC=N2)C" | 21 | "82BCC4E1E17351EF" |
"B89F50070809877A_24E305AF1CAA3D64_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=NN=C([N]2C)S)C" | 21 | "82BCC4E1E17351EF" |
"764FEC71D7200ED1_84F6ED0DC5CFCE5D_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2C(C)(C)C2(C)C)C" | 21 | "82BCC4E1E17351EF" |
"6DB4672E8E9CC137_A6928F907F4062CA_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=NC(=C(O2)C)C)C" | 21 | "82BCC4E1E17351EF" |
"8DAF0E2D98168C56_CF006712ADBC9377_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2CSCCN2)C" | 21 | "82BCC4E1E17351EF" |
"A27B7DE8B662A389_1201AD8C8F2B4FBB_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(N)C2COCC2)C" | 21 | "82BCC4E1E17351EF" |
"5A78B1BD6C15DB6C_3BF65DD399692FFD_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCCNC2CC2)C" | 21 | "82BCC4E1E17351EF" |
"BE67AE32398D9917_C0E08D7261CF4929_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=C(C)OC(=C2)C)C" | 21 | "82BCC4E1E17351EF" |
"98D90DD9D2880A11_B65338180E231E14_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2(C)CCCCC2)C" | 21 | "82BCC4E1E17351EF" |
"A32D2DA1DAD23C10_936D1D1918199E43_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OC2=C(C)OC=CC2=O)C" | 21 | "82BCC4E1E17351EF" |
"03B636BC19341668_23F950D5CA5CF8A9_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=C(C)C=CN=C2)C" | 21 | "82BCC4E1E17351EF" |
"34C097E9AC9D2CE9_ADCC5E7B83A11B7D_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2=CC=N[N]2C)C" | 21 | "82BCC4E1E17351EF" |
"A834E6C16A813606_DC945A3C5487C817_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OC[C@@H]2CC[C@H](N)CC2)C" | 21 | "82BCC4E1E17351EF" |
"DE4EDB0B546ACF3F_8BE21CDC6745C95E_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2(CN)CCC2)C" | 21 | "82BCC4E1E17351EF" |
"A195156AF465760F_3388CF026D03772A_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CN=C(N)C=N2)C" | 21 | "82BCC4E1E17351EF" |
"4108982D75C63331_F5FF926895060414_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2CNCCC2)C" | 21 | "82BCC4E1E17351EF" |
"53F6A3F6F03E05F0_9BCB9E4581E5E228_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2=NC=C[N]2C)C" | 21 | "82BCC4E1E17351EF" |
"A9A2F985D5B8049B_6DA9A5DDB2D051D3_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2OCC(C)NC2)C" | 21 | "82BCC4E1E17351EF" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.