CMPD_CHEMBLID	CANONICAL_SMILES	STANDARD_VALUE	STANDARD_UNITS	ORGANISM	PUBMED_ID
CHEMBL1192	Oc1c2OC(=O)C=Cc2cc3ccoc13	-5	%	Hepatitis B virus	15217285
CHEMBL203345	OCCOCN1C=C(CO)C(=O)NC1=O	0	%	Hepatitis B virus	16539393
CHEMBL206108	CC1=CC(=O)NC(=O)N1COCCO	0	%	Hepatitis B virus	16539393
CHEMBL204329	OCCOCN1C=CC(=O)NC1=S	0	%	Hepatitis B virus	16539393
CHEMBL35179	OCCOCN1C=C(C(=O)NC1=O)[N+](=O)[O-]	0	%	Hepatitis B virus	16539393
CHEMBL204000	CCOC(=O)C1=CN(COCCO)C(=S)NC1=O	0	%	Hepatitis B virus	16539393
CHEMBL381807	COC(=O)C1=CC(=O)NC(=O)N1COCCO	0	%	Hepatitis B virus	16539393
CHEMBL210663	OCC(CO)OCN1C=C(CO)C(=O)NC1=O	0	%	Hepatitis B virus	16759112
CHEMBL37808	NC1=NC(=O)N(COC(CO)CO)C=C1	0	%	Hepatitis B virus	16759112
CHEMBL38107	OCC(CO)OCN1C=CC(=O)NC1=O	0	%	Hepatitis B virus	16759112
CHEMBL287845	NC1=NC(=O)N(COC(CO)CO)C=C1F	0	%	Hepatitis B virus	16759112
CHEMBL379062	CC1=NN(COC(CO)CO)C(=S)NC1=O	0	%	Hepatitis B virus	16759112
CHEMBL210951	CC1=CC(=O)NC(=O)N1COC(CO)CO	0	%	Hepatitis B virus	16759112
CHEMBL564013	CC(=O)OCC1=CC[C@@H]2[C@@H](CC[C@@]2(C)CC1)C(C)(C)O	0	%	Hepatitis B virus	19228000
CHEMBL550778	CC(C)(O)[C@@H]1CC[C@@]2(C)CCC(=CC[C@H]12)C=O	0	%	Hepatitis B virus	19228000
CHEMBL253908	COc1cc2C[C@@H](C)[C@@H](C)Cc3cc(OC)c(OC)c(OC)c3c2c(OC)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL583234	COc1cc2[C@H](OC(=O)\C(=C/C)\C)[C@](C)(O)[C@@H](C)Cc3cc4OCOc4c(O)c3c2c(OC)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL583441	COc1cc2[C@H](OC(=O)C(C)C)[C@](C)(O)[C@@H](C)Cc3cc4OCOc4c(O)c3c2c(OC)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL565966	COc1cc2[C@H](OC(=O)c3ccccc3)[C@@](C)(O)[C@@H](C)Cc4cc5OCOc5c(O)c4c2c(OC)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL579261	COc1cc2C[C@H](C)[C@@](C)(O)Cc3cc(OC)c(OC)c(OC)c3c2c(O)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL584680	COc1cc2[C@H](OC(=O)C)[C@](C)(O)[C@@H](C)Cc3cc4OCOc4c(O)c3c2c(OC)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL576644	COc1cc2[C@H](OC(=O)c3ccccc3)[C@](C)(O)[C@@H](C)Cc4cc(O)c(OC)c(O)c4c2c(OC)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL565967	COc1cc2[C@H](OC(=O)\C(=C\C)\C)[C@](C)(O)[C@@H](C)Cc3cc4OCOc4c(O)c3c2c(OC)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL577253	COc1cc2[C@H](OC(=O)c3ccccc3)[C@](C)(O)[C@@H](C)Cc4cc5OCOc5c(O)c4c2c(OC)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL490125	COc1cc2C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c3c2c(O)c1OC	0	%	Hepatitis B virus	19640714
CHEMBL52609	CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O	0	%	Hepatitis B virus	20863701
CHEMBL1129	OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F	0	%	Hepatitis B virus	20863701
CHEMBL1269501	OC[C@H]1O[C@@H]2C[C@@H]1OC3=NC(=O)C(=CN23)F	0	%	Hepatitis B virus	20863701
CHEMBL353955	OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O	0	%	Hepatitis B virus	20863701
CHEMBL1269281	CCC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O	0	%	Hepatitis B virus	20869253
CHEMBL1269389	OC[C@H]1O[C@H]([C@H](F)[C@@H]1F)N2C=CC(=O)NC2=O	0	%	Hepatitis B virus	20869253
CHEMBL1098135	OC[C@H]1O[C@H](C[C@@H]1Cl)N2C=C(F)C(=O)NC2=O	0	%	Hepatitis B virus	20869253
CHEMBL1269388	OC[C@H]1O[C@H](C[C@@H]1F)N2C=C(F)C(=S)NC2=O	0	%	Hepatitis B virus	20869253
CHEMBL1269415	CC1=CN([C@@H]2O[C@H](CO)[C@@H](F)[C@H]2F)C(=O)NC1=O	0	%	Hepatitis B virus	20869253
CHEMBL1098358	OC[C@H]1O[C@H](C[C@@H]1F)N2C=C(F)C(=O)NC2=O	0	%	Hepatitis B virus	20869253
CHEMBL1269283	OC[C@H]1O[C@H](C[C@@H]1F)N2C=C(O)C(=O)NC2=O	0	%	Hepatitis B virus	20869253
CHEMBL2151961	CC(=O)O[C@H]1C[C@@H](O[C@@H]1C(=O)O)N2C=C(F)C(=O)NC2=O	0	%	Hepatitis B virus	22985854
CHEMBL2151957	OC(=O)[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O	0	%	Hepatitis B virus	22985854
CHEMBL487409	C\C(=C\COc1c2OC(=O)C=Cc2cc3ccoc13)\C(=O)O	0.7	%	Hepatitis B virus	15217285
CHEMBL453805	CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C	3.8	%	Hepatitis B virus	15217285
CHEMBL576643	COc1cc2[C@H](OC(=O)\C(=C\C)\C)[C@](C)(O)[C@@H](C)Cc3cc(O)c(OC)c(O)c3c2c(OC)c1OC	6.2	%	Hepatitis B virus	19640714
CHEMBL527099	C\C(=C/COc1c2OC(=O)C=Cc2cc3ccoc13)\CO	8	%	Hepatitis B virus	15217285
CHEMBL487408	C\C(=C\COc1c2OC(=O)C=Cc2cc3ccoc13)\CO	8.2	%	Hepatitis B virus	15217285
CHEMBL713	NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](CO)C3=C)C(=O)N1	10	%	Hepatitis B virus	17178796
CHEMBL539964	CC(C)(O)[C@@H]1CC[C@@]2(C)CCC(=CC[C@H]12)CO	11.3	%	Hepatitis B virus	19228000
CHEMBL2147344	O[C@H]1Cc2ccccc2[C@@H]1n3cnc4c(Cl)ncnc34	14.2	%	Hepatitis B virus	22944333
CHEMBL221845	CNC(=O)C(Oc1cc(C)ccc1Cl)c2csnn2	15.5	%	Hepatitis B virus	17055269
CHEMBL2147335	O[C@@H]1Cc2ccccc2[C@H]1n3nnc4c(O)ncnc34	16.6	%	Hepatitis B virus	22944333
CHEMBL578357	COc1cc2[C@H](OC(=O)\C(=C\C)\C)[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(O)c3c2c(OC)c1OC	16.9	%	Hepatitis B virus	19640714
CHEMBL2147341	Nc1ncnc2c1nnn2[C@H]3[C@@H](O)Cc4ccccc34	17.6	%	Hepatitis B virus	22944333
CHEMBL437312	CC1=C(C(=O)NC(=O)N1COCCO)[N+](=O)[O-]	20	%	Hepatitis B virus	16539393
CHEMBL425224	CCC1=CN(COCCO)C(=S)NC1=O	20	%	Hepatitis B virus	16539393
CHEMBL1269280	OC[C@H]1O[C@H](C[C@@H]1F)N2C=C(C(=O)NC2=O)C(F)(F)F	20	%	Hepatitis B virus	20869253
CHEMBL1269218	OC[C@H]1O[C@H](C[C@@H]1F)N2C=CC(=S)NC2=O	20	%	Hepatitis B virus	20869253
CHEMBL2147343	O[C@@H]1Cc2ccccc2[C@H]1n3cnc4c(Cl)ncnc34	22.6	%	Hepatitis B virus	22944333
CHEMBL3121562	CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]47CC[C@]23C)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O	23.3	%	Hepatitis B virus	24549242
CHEMBL382589	OCCOCN1N=CC(=O)NC1=O	25	%	Hepatitis B virus	16539393
CHEMBL202912	CC1=C(I)C(=O)NC(=O)N1COCCO	25	%	Hepatitis B virus	16539393
CHEMBL1269616	OC[C@H]1O[C@@H]2C[C@@H]1OC3=NC(=O)C(=CN23)C(F)(F)F	25	%	Hepatitis B virus	20863701
CHEMBL2147336	O[C@H]1Cc2ccccc2[C@@H]1n3nnc4c(O)ncnc34	25.2	%	Hepatitis B virus	22944333
CHEMBL333559	OCC(CO)OCN1C=C(F)C(=O)NC1=O	26	%	Hepatitis B virus	16759112
CHEMBL2147337	O[C@@H]1Cc2ccccc2[C@@H]1n3nnc4c(O)ncnc34	27.7	%	Hepatitis B virus	22944333
CHEMBL210664	OCCC1=CN(COC(CO)CO)C(=O)NC1=O	28	%	Hepatitis B virus	16759112
CHEMBL141	NC1=NC(=O)N(C=C1)[C@@H]2CS[C@H](CO)O2	28	%	Hepatitis B virus	21218816
CHEMBL206306	NC1=CN(COCCO)C(=O)NC1=O	30	%	Hepatitis B virus	16539393
CHEMBL210736	CC1=C(Br)C(=O)NC(=O)N1COC(CO)CO	30	%	Hepatitis B virus	16759112
CHEMBL36394	NC1=CN(COC(CO)CO)C(=O)NC1=O	30	%	Hepatitis B virus	16759112
CHEMBL1380	Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1	30	%	Hepatitis B virus	16759112
CHEMBL207010	CCC1=CN(COC(CO)CO)C(=O)NC1=O	30	%	Hepatitis B virus	16759112
CHEMBL436474	O=C1OCc2c1cc3ccc4OCOc4c3c2c5ccc6OCOc6c5	30	%	Hepatitis B virus	23465436
CHEMBL2147346	O[C@H]1Cc2ccccc2[C@H]1n3cnc4c(Cl)ncnc34	30.8	%	Hepatitis B virus	22944333
CHEMBL209621	OCC(CO)OCN1N=CC(=O)NC1=O	32	%	Hepatitis B virus	16759112
CHEMBL1269617	CCC1=CN2[C@H]3C[C@H](OC2=NC1=O)[C@@H](CO)O3	32	%	Hepatitis B virus	20863701
CHEMBL1672135	CCOC1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)C1)[C@@H]34	32	%	Hepatitis B virus	21218816
CHEMBL210828	COC1=NC(=O)N(COC(CO)CO)C=C1Br	35	%	Hepatitis B virus	16759112
CHEMBL2147338	O[C@H]1Cc2ccccc2[C@H]1n3nnc4c(O)ncnc34	35.3	%	Hepatitis B virus	22944333
CHEMBL35047	CC1=CN(COC(CO)CO)C(=O)NC1=O	37	%	Hepatitis B virus	16759112
CHEMBL210916	CC1=NN(COC(CO)CO)C(=O)NC1=O	37	%	Hepatitis B virus	16759112
CHEMBL2147340	Nc1ncnc2c1nnn2[C@@H]3[C@@H](O)Cc4ccccc34	37.2	%	Hepatitis B virus	22944333
CHEMBL208654	CC1=C(I)C(=O)NC(=O)N1COC(CO)CO	38	%	Hepatitis B virus	16759112
CHEMBL379526	OCC(CO)OCN1C=C(C(=O)NC1=O)[N+](=O)[O-]	40	%	Hepatitis B virus	16759112
CHEMBL37840	OCC(CO)OCN1C=C(Br)C(=O)NC1=O	40	%	Hepatitis B virus	16759112
CHEMBL377998	OCC(CO)OCN1C=C(Cl)C(=O)NC1=O	40	%	Hepatitis B virus	16759112
CHEMBL318153	CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O	40	%	Hepatitis B virus	20863701
CHEMBL2376341	COc1ccc(cc1OC(=O)C)c2c3COC(=O)c3cc4ccc5OCOc5c24	40	%	Hepatitis B virus	23465436
CHEMBL3121564	[OH-].COc1cc2CC[n+]3cc4c5OCOc5ccc4c(C)c3c2cc1O	40	%	Hepatitis B virus	24549242
CHEMBL3121563	[OH-].COc1cc2CC[n+]3cc4c5OCOc5ccc4c(C)c3c2cc1OC	40	%	Hepatitis B virus	24549242
CHEMBL3121565	[OH-].COc1cc2c(CC[n+]3cc4c5OCOc5ccc4c(C)c23)cc1O	40	%	Hepatitis B virus	24549242
CHEMBL2147342	Nc1ncnc2c1nnn2[C@@H]3[C@H](O)Cc4ccccc34	41.4	%	Hepatitis B virus	22944333
CHEMBL2147339	Nc1ncnc2c1nnn2[C@H]3[C@H](O)Cc4ccccc34	42.1	%	Hepatitis B virus	22944333
CHEMBL458337	[O-][N+]12CCC[C@H]3CN4[C@H](CCCC4=O)[C@@H](CCC1)[C@@H]23	43	%	Hepatitis B virus	20176893
CHEMBL1270402	CC1=CN([C@H]2C[C@@H](OS(=O)(=O)C)[C@@H](CO)O2)C(=O)NC1=S	45	%	Hepatitis B virus	20863701
CHEMBL16171	COc1c(O)cc(O)c2C(=O)C=C(Oc12)c3ccccc3	45.4	%	Hepatitis B virus	24549242
CHEMBL165179	OCCOCN1C=C(C(=O)NC1=O)C(F)(F)F	50	%	Hepatitis B virus	16539393
CHEMBL1097819	OC[C@H]1O[C@H](C[C@H]1Cl)N2C=C(F)C(=O)NC2=O	50	%	Hepatitis B virus	20869253
CHEMBL1269282	OC[C@H]1O[C@H](C[C@@H]1F)N2C=C(CO)C(=O)NC2=O	50	%	Hepatitis B virus	20869253
CHEMBL395515	OC[C@H]1O[C@H](C[C@@H]1F)N2C=C(I)C(=O)NC2=O	50	%	Hepatitis B virus	20869253
CHEMBL2151960	CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@H](O2)C(=O)O)C(=O)NC1=O	50	%	Hepatitis B virus	22985854
CHEMBL2151959	OC(=O)[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])N2C=CC(=O)NC2=O	50	%	Hepatitis B virus	22985854
CHEMBL376946	OCC(CO)OCN1C=C(\C=C\Br)C(=O)NC1=O	53	%	Hepatitis B virus	16759112
CHEMBL1269618	CCC1=CN2[C@@H]3O[C@H](CO)[C@@H](OC2=NC1=O)[C@@H]3F	53	%	Hepatitis B virus	20863701
CHEMBL1269502	CC1=CN2[C@H]3C[C@H](OC2=NC1=O)[C@@H](CO)O3	54	%	Hepatitis B virus	20863701
CHEMBL1098010	CC1=CN([C@H]2C[C@H](Cl)[C@@H](CO)O2)C(=O)NC1=O	56	%	Hepatitis B virus	20869253
CHEMBL550956	Fc1cccc(Cl)c1C2CC(Nc3nnnn23)c4ccc(Cl)cc4	58	%	Hepatitis B virus	17875990
CHEMBL2151962	CC1=CN([C@@H]2O[C@@H](C=C2)C(=O)O)C(=O)NC1=O	58	%	Hepatitis B virus	22985854
CHEMBL278418	OCCOCN1C=C(Br)C(=O)NC1=O	60	%	Hepatitis B virus	16539393
CHEMBL2151958	OC(=O)[C@@H]1CC[C@@H](O1)N2C=CC(=N)NC2=O	60	%	Hepatitis B virus	22985854
CHEMBL2151963	CC1=CN([C@H]2CC=C(O2)C(=O)O)C(=O)NC1=O	61	%	Hepatitis B virus	22985854
CHEMBL2151964	COC(=O)[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N	63	%	Hepatitis B virus	22985854
CHEMBL1269500	OC[C@H]1O[C@@H]2C[C@@H]1OC3=NC(=O)C=CN23	65	%	Hepatitis B virus	20863701
CHEMBL109792	OCCOCN1C=C(Cl)C(=O)NC1=O	69	%	Hepatitis B virus	16539393
CHEMBL1269499	CCC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)C(=O)NC1=O	90	%	Hepatitis B virus	20863701