CMPD_CHEMBLID	CANONICAL_SMILES	STANDARD_VALUE	STANDARD_UNITS	ORGANISM	PUBMED_ID
CHEMBL184	NC1=Nc2c(ncn2COCCO)C(=O)N1	94	%	Human herpesvirus 1	22921079
CHEMBL2087316	O=C(Nc1ccccc1)C2=C(C=C(OC2=O)c3ccccc3)N4CCCC4	79	%	Human herpesvirus 1	22921079
CHEMBL2087320	Cc1ccc(NC(=O)C2=C(C=C(OC2=O)c3ccccc3)N4CCCC4)cc1	62	%	Human herpesvirus 1	22921079
CHEMBL2087321	OCCNC(=O)C1=C(C=C(OC1=O)c2ccccc2)N3CCCCC3	89	%	Human herpesvirus 1	22921079
CHEMBL2087314	OCCNC(=O)C1=C(C=C(OC1=O)c2ccccc2)N3CCCC3	70	%	Human herpesvirus 1	22921079
CHEMBL1682074	Cc1ccc(cc1)S(=O)(=O)NNC(=O)c2nnn(Nc3ccc(F)cc3)c2C	88	%	Human herpesvirus 1	21376603
CHEMBL1682075	Cc1c(nnn1Nc2ccc(Cl)cc2)C(=O)NNS(=O)(=O)c3ccccc3	57	%	Human herpesvirus 1	21376603
CHEMBL1682077	Cc1ccc(cc1)S(=O)(=O)NNC(=O)c2nnn(Nc3ccc(Br)cc3)c2C	69	%	Human herpesvirus 1	21376603
CHEMBL1682079	Cc1c(nnn1Nc2cc(Cl)ccc2Cl)C(=O)NNS(=O)(=O)c3ccccc3	71	%	Human herpesvirus 1	21376603
CHEMBL1682071	Cc1c(nnn1Nc2ccccc2)C(=O)NNS(=O)(=O)c3ccccc3	79	%	Human herpesvirus 1	21376603
CHEMBL1682072	Cc1ccc(cc1)S(=O)(=O)NNC(=O)c2nnn(Nc3ccccc3)c2C	37	%	Human herpesvirus 1	21376603
CHEMBL1682076	Cc1c(nnn1Nc2ccc(Br)cc2)C(=O)NNS(=O)(=O)c3ccccc3	31	%	Human herpesvirus 1	21376603
CHEMBL1682073	COc1ccc(cc1)S(=O)(=O)NNC(=O)c2nnn(Nc3ccccc3)c2C	54	%	Human herpesvirus 1	21376603
CHEMBL1682078	COc1ccc(cc1)S(=O)(=O)NNC(=O)c2nnn(Nc3ccc(Br)cc3)c2C	77	%	Human herpesvirus 1	21376603
CHEMBL1171809	C[C@@H]1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@H]3O[C@]45O[C@@]6(CC[C@](C)(C1=O)[C@]24C)C[C@]78OC(=O)C[C@@]7(O)OC(C)(C)[C@@H]8C[C@H](O)[C@H]6C5=O	25	%	Human herpesvirus 1	20536188
CHEMBL1171985	C[C@H]1[C@H]2O[C@]34O[C@@]5(CC[C@]6(C)C(=O)[C@H](C)[C@H]([C@H]2OC1=O)[C@]36C)C[C@]78OC(=O)C[C@@]7(O)OC(C)(C)[C@@H]8C[C@H](O)[C@H]5C4=O	30	%	Human herpesvirus 1	20536188
CHEMBL1098237	Brc1ccc(cc1)C2OC2C(=O)c3ccc4CCCCc4c3	18	%	Human herpesvirus 1	20110135
CHEMBL1095298	COc1ccc(cc1OC)C2N3C(=O)CSC3=NC(C2=O)c4ccc5CCCCc5c4	0	%	Human herpesvirus 1	20110135
CHEMBL1096280	COc1ccc(cc1OC)C2N3C(=C(SC3=NC(C2=O)c4ccc5CCCCc5c4)C(=O)C)C	14	%	Human herpesvirus 1	20110135
CHEMBL1095940	COc1ccc(cc1OC)C2NC(=NC(C2=O)c3ccc4CCCCc4c3)SC(C(=O)C)C(=O)C	0	%	Human herpesvirus 1	20110135
CHEMBL1096281	COc1ccc(cc1OC)C2N3C(=O)C(C)SC3=NC(C2=O)c4ccc5CCCCc5c4	100	%	Human herpesvirus 1	20110135
CHEMBL1097941	Cc1ccc(cc1)C2OC2C(=O)c3ccc4CCCCc4c3	0	%	Human herpesvirus 1	20110135
CHEMBL1099289	CCOC(=O)SC1=NC(C(=O)C(N1)c2ccc(OC)c(OC)c2)c3ccc4CCCCc4c3	61	%	Human herpesvirus 1	20110135
CHEMBL1099288	Cc1ccc(cc1)C2NC(=N)NC(C2=O)c3ccc4CCCCc4c3	4	%	Human herpesvirus 1	20110135
CHEMBL1099287	COc1ccc(cc1OC)C2NC(=O)NC(C2=O)c3ccc4CCCCc4c3	21	%	Human herpesvirus 1	20110135
CHEMBL1096273	Cc1ccc(cc1)C2C(O)C(=NN2c3ccccc3)c4ccc5CCCCc5c4	76	%	Human herpesvirus 1	20110135
CHEMBL1098567	Brc1ccc(cc1)C2OC(C(OC2C(=O)c3ccc4CCCCc4c3)c5ccc(Br)cc5)C(=O)c6ccc7CCCCc7c6	0	%	Human herpesvirus 1	20110135
CHEMBL1096272	COc1ccc(cc1OC)C2OC2C(=O)c3ccc4CCCCc4c3	24	%	Human herpesvirus 1	20110135
CHEMBL1098314	COc1ccc(cc1OC)C2NC(=S)NC(C2=O)c3ccc4CCCCc4c3	27	%	Human herpesvirus 1	20110135
CHEMBL1096633	COc1ccc(cc1OC)C2N3C(=NC(C2=O)c4ccc5CCCCc5c4)S\C(=C\c6ccc(Cl)cc6)\C3=O	0	%	Human herpesvirus 1	20110135
CHEMBL1098942	COc1ccc(cc1OC)C2N3C(=O)CCSC3=NC(C2=O)c4ccc5CCCCc5c4	3	%	Human herpesvirus 1	20110135
CHEMBL1098313	Cc1ccc(cc1)C2NC(=S)NC(C2=O)c3ccc4CCCCc4c3	0	%	Human herpesvirus 1	20110135
CHEMBL1098312	Cc1ccc(cc1)c2cc(nn2c3ccccc3)c4ccc5CCCCc5c4	3	%	Human herpesvirus 1	20110135
CHEMBL253898	Cc1nn(c2ccccc2)c3ncc4c(Cl)c5ccccc5nc4c13	70	%	Human herpesvirus 1	17937990
CHEMBL402549	Cc1ccc2nc3c(cnc4c3cnn4c5ccccc5)c(Cl)c2c1	82	%	Human herpesvirus 1	17937990
CHEMBL404350	Cc1nn(c2ccccc2)c3ncc4c(Cl)c5cc(Cl)ccc5nc4c13	39	%	Human herpesvirus 1	17937990
CHEMBL253899	Cc1nn(c2ccccc2)c3ncc4c(Cl)c5cccc(Cl)c5nc4c13	100	%	Human herpesvirus 1	17937990
CHEMBL254096	Cc1cccc2c(Cl)c3cnc4c(c(C)nn4c5ccccc5)c3nc12	66	%	Human herpesvirus 1	17937990
CHEMBL404047	COc1cc(O)c2C(=O)c3cccc(Cl)c3Nc2c1	6	%	Human herpesvirus 1	17937990
CHEMBL252440	COc1ccc2nc3c(cnc4c3cnn4c5ccccc5)c(Cl)c2c1	68	%	Human herpesvirus 1	17937990
CHEMBL252244	O=C1c2ccccc2Nc3c1cnc4c3cnn4c5ccccc5	74	%	Human herpesvirus 1	17937990
CHEMBL252439	Cc1ccc2Nc3c(cnc4c3cnn4c5ccccc5)C(=O)c2c1	92	%	Human herpesvirus 1	17937990
CHEMBL555267	I.O[C@@H]1O[C@H](COC(=O)c2ccc(cc2)c3c4C=Cc([nH]4)c(c5C=Cc(n5)c(c6ccncc6)c7ccc([nH]7)c(c8ccncc8)c9ccc3n9)c%10ccncc%10)[C@H](O)[C@H](O)[C@H]1O	37.6	%	Human herpesvirus 1	17524654
CHEMBL438130	CC1(C)O[C@H]2O[C@H](COC(=O)c3ccc(cc3)c4c5C=Cc(n5)c(c6ccncc6)c7ccc([nH]7)c(c8ccncc8)c9ccc(n9)c(c%10C=Cc4[nH]%10)c%11ccncc%11)[C@@H]%12OC(C)(C)O[C@@H]%12[C@H]2O1	36.4	%	Human herpesvirus 1	17524654
CHEMBL375232	OC(=O)c1ccc(cc1)c2c3C=Cc([nH]3)c(c4C=Cc(n4)c(c5ccncc5)c6ccc([nH]6)c(c7ccncc7)c8ccc2n8)c9ccncc9	8.9	%	Human herpesvirus 1	17524654
CHEMBL236729	OC1O[C@H](COC(=O)c2ccc(cc2)c3c4C=Cc([nH]4)c(c5C=Cc(n5)c(c6ccncc6)c7ccc([nH]7)c(c8ccncc8)c9ccc3n9)c%10ccncc%10)[C@H](O)[C@H](O)[C@H]1O	28.6	%	Human herpesvirus 1	17524654
CHEMBL375233	[I-].[I-].[I-].C[n+]1ccc(cc1)c2c3C=Cc(n3)c(c4cc[n+](C)cc4)c5ccc([nH]5)c(c6cc[n+](C)cc6)c7ccc(n7)c(c8C=Cc2[nH]8)c9ccc(cc9)C(=O)O	63.3	%	Human herpesvirus 1	17524654
CHEMBL562616	I.CC1(C)O[C@H]2O[C@H](COC(=O)c3ccc(cc3)c4c5C=Cc([nH]5)c(c6C=Cc(n6)c(c7ccncc7)c8ccc([nH]8)c(c9ccncc9)c%10ccc4n%10)c%11ccncc%11)[C@@H]%12OC(C)(C)O[C@@H]%12[C@H]2O1	12.1	%	Human herpesvirus 1	17524654
CHEMBL439089	NCCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CS)C(=O)O	25	%	Human herpesvirus 1	17261627
CHEMBL383545	CCOC(=O)C1=CN(COCCO)c2ccc(Cl)cc2C1=O	97	%	Human herpesvirus 1	16321530
CHEMBL202552	CCOC(=O)C1=CN(COCCO)c2cc(Cl)ccc2C1=O	99	%	Human herpesvirus 1	16321530
CHEMBL203066	CCOC(=O)C1=CN(COCCO)c2ccc(F)cc2C1=O	97	%	Human herpesvirus 1	16321530
CHEMBL382021	OCCOCN1C=C(C(=O)O)C(=O)c2cc(ccc12)[N+](=O)[O-]	70	%	Human herpesvirus 1	16321530
CHEMBL382020	OCCOCN1C=C(C(=O)O)C(=O)c2cc(Cl)ccc12	98	%	Human herpesvirus 1	16321530
CHEMBL203001	OCCOCN1C=C(C(=O)O)C(=O)c2ccc(cc12)[N+](=O)[O-]	77	%	Human herpesvirus 1	16321530
CHEMBL205017	OCCOCN1C=C(C(=O)O)C(=O)c2ccc(Cl)cc12	96	%	Human herpesvirus 1	16321530
CHEMBL380836	CCOC(=O)C1=CN(COCCO)c2ccc(C)cc2C1=O	82	%	Human herpesvirus 1	16321530
CHEMBL383453	CCOC(=O)C1=CN(COCCO)c2cc(F)ccc2C1=O	65	%	Human herpesvirus 1	16321530
CHEMBL202993	OCCOCN1C=C(C(=O)O)C(=O)c2ccc(F)cc12	97	%	Human herpesvirus 1	16321530
CHEMBL203503	COc1ccc2C(=O)C(=CN(COCCO)c2c1)C(=O)O	79	%	Human herpesvirus 1	16321530
CHEMBL204536	OCCOCN1C=C(C(=O)O)C(=O)c2cc(Br)ccc12	58	%	Human herpesvirus 1	16321530
CHEMBL204477	OCCOCN1C=C(C(=O)O)C(=O)c2cc(F)ccc12	70	%	Human herpesvirus 1	16321530
CHEMBL204140	Cc1ccc2N(COCCO)C=C(C(=O)O)C(=O)c2c1	93	%	Human herpesvirus 1	16321530
CHEMBL204604	CCOC(=O)C1=CN(COCCO)c2cc(C)ccc2C1=O	77	%	Human herpesvirus 1	16321530
CHEMBL205014	CCOC(=O)C1=CN(COCCO)c2cc(OC)ccc2C1=O	89	%	Human herpesvirus 1	16321530
CHEMBL204034	CCOC(=O)C1=CN(COCCO)c2cc(ccc2C1=O)[N+](=O)[O-]	77	%	Human herpesvirus 1	16321530
CHEMBL204908	CCOC(=O)C1=CN(COCCO)c2ccc(cc2C1=O)[N+](=O)[O-]	95	%	Human herpesvirus 1	16321530
CHEMBL202847	Cc1ccc2C(=O)C(=CN(COCCO)c2c1)C(=O)O	79	%	Human herpesvirus 1	16321530
CHEMBL204608	CCOC(=O)C1=CN(COCCO)c2ccc(Br)cc2C1=O	84	%	Human herpesvirus 1	16321530
CHEMBL383818	CCOC(=O)C1=CN(COCCO)c2ccc(OC)cc2C1=O	99	%	Human herpesvirus 1	16321530
CHEMBL383055	COc1ccc2N(COCCO)C=C(C(=O)O)C(=O)c2c1	89	%	Human herpesvirus 1	16321530
CHEMBL102777	OCCCCNc1nc(O)nc(O)c1[N+](=O)[O-]	0	%	Human herpesvirus 1	7932528
CHEMBL104276	Nc1nc(O)c(c(NCCOCP(=O)(O)O)n1)[N+](=O)[O-]	0	%	Human herpesvirus 1	7932528
CHEMBL103834	Nc1nc(O)c(c(NCCCCO)n1)[N+](=O)[O-]	0	%	Human herpesvirus 1	7932528
CHEMBL105072	OCCCCNc1cc(O)nc(O)n1	0	%	Human herpesvirus 1	7932528
CHEMBL318973	Nc1nc(O)cc(NCCCCO)n1	0	%	Human herpesvirus 1	7932528
CHEMBL323589	OCCCCNc1nc(O)nc(O)c1I	0	%	Human herpesvirus 1	7932528
CHEMBL105339	Nc1nc(Cl)cc(NCCCCO)n1	0	%	Human herpesvirus 1	7932528
CHEMBL318153	CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O	0	%	Human herpesvirus 1	7932528
CHEMBL105746	Nc1nc(O)c(N)c(NCCOCP(=O)(O)O)n1	100	%	Human herpesvirus 1	7932528
CHEMBL20283	Nc1nc(O)c2ncn(COCCP(=O)(O)O)c2n1	50	%	Human herpesvirus 1	7932528
CHEMBL428660	Br.CCn1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)c3	10	%	Human herpesvirus 1	6306237
CHEMBL9187	Br.Cn1cc(NC=O)cc1C(=O)Nc2c[nH]c(c2)C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)c3	25	%	Human herpesvirus 1	6306237
CHEMBL268743	Br.Cn1cc(NC=O)cc1C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(=N)N)n(C)c5)n(C)c4)n(C)c3)n(C)c2	10	%	Human herpesvirus 1	6306237
CHEMBL268126	Br.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)c[nH]3)cn2C)cc1C(=O)NCCC(=N)N	50	%	Human herpesvirus 1	6306237
CHEMBL9703	Br.CN(C)C(=N)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cn1C	0	%	Human herpesvirus 1	6306237
CHEMBL9494	Br.CCn1cc(NC=O)cc1C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)c3)n(C)c2	50	%	Human herpesvirus 1	6306237
CHEMBL428476	Br.CCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3CC)cn2CC)cc1C(=O)NCCC(=N)N	15	%	Human herpesvirus 1	6306237
CHEMBL276157	Br.Cn1cc(NC=O)cc1C(=O)Nc2cc(C(=O)Nc3c[nH]c(c3)C(=O)NCCC(=N)N)n(C)c2	60	%	Human herpesvirus 1	6306237
CHEMBL9504	Br.CCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N	10	%	Human herpesvirus 1	6306237
CHEMBL9879	Br.CNC(=N)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cn1C	30	%	Human herpesvirus 1	6306237
CHEMBL268125	Br.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N	69	%	Human herpesvirus 1	6306237
CHEMBL154898	CC(=O)OC[C@H]1OC([C@H](OC(=O)C)[C@H]1OC(=O)C)N2C=C(C(=O)NC2=O)C(F)(F)F	61	%	Human herpesvirus 1	6300402
CHEMBL154142	OC[C@H]1OC(C[C@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)C(F)(F)F	30	%	Human herpesvirus 1	6300402
CHEMBL610423	OC[C@H]1OC([C@@H](O)[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F	88	%	Human herpesvirus 1	6300402
CHEMBL345385	CC(=O)OC[C@H]1OC(C[C@H]1OC(=O)C)N2C=C(C(=O)NC2=O)C(F)(F)C(F)(F)F	26	%	Human herpesvirus 1	6300402
CHEMBL803	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O	93.6	%	Human herpesvirus 1	6298419
CHEMBL788	OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(I)C(=O)NC2=O	71.3	%	Human herpesvirus 1	6298419
CHEMBL113747	CC(=O)C(=C[C@@H]1O[C@@H](O[C@@H]2CO[C@H](O[C@@H]12)c3ccccc3)c4ccccc4)C(=O)C	95.5	%	Human herpesvirus 1	6298419
CHEMBL477	Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O	0	%	Human herpesvirus 1	6298419
CHEMBL287384	CNC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13	85	%	Human herpesvirus 1	6256551
CHEMBL287490	COc1cc2CCC(NC(=O)N(C)N=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC	86	%	Human herpesvirus 1	6256551
CHEMBL32140	COc1cc2CCC(NC(=O)NCCCl)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC	72	%	Human herpesvirus 1	6256551
CHEMBL285684	COc1cc2CCC(NC(=O)N(CCCl)N=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC	76	%	Human herpesvirus 1	6256551
CHEMBL434976	COc1cc2CCC(N)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC	81	%	Human herpesvirus 1	6256551
CHEMBL2093940	NC1=NC(=O)N(C=C1[Se]c2ccccc2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O	45	%	Human herpesvirus 1	3027329
CHEMBL2093941	OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N2C=C([Se]c3ccccc3)C(=O)NC2=O	99.9	%	Human herpesvirus 1	3027329
CHEMBL2094090	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C([Se]c3ccccc3)C(=O)NC2=O	63	%	Human herpesvirus 1	3027329
CHEMBL182	NC1=Nc2c(ncn2COC(CO)CO)C(=O)N1	60	%	Human herpesvirus 1	3009816
CHEMBL367510	Nc1nc(O)c2ncn(COC[C@@H](O)CO)c2n1	14	%	Human herpesvirus 1	3009816
CHEMBL173922	Nc1nc(O)c2ncn(COC[C@H](O)CO)c2n1	54	%	Human herpesvirus 1	3009816
CHEMBL169549	Nc1nc(O)c2ncn(COCC(O)CO)c2n1	36	%	Human herpesvirus 1	3009816
CHEMBL284298	Nc1nc(O)c2ncn(CC[C@H](O)CCO)c2n1	50	%	Human herpesvirus 1	2391689
CHEMBL73931	COc1ccc(Cl)cc1\N=C(/S)\N\N=C(/S)\N\N=C(/C)\c2ccccn2	48	%	Human herpesvirus 1	1319497
CHEMBL74429	CCOC(=O)NC(=S)N\N=C(/S)\N\N=C(/C)\c1ccccn1	14	%	Human herpesvirus 1	1319497
CHEMBL309057	C\C(=N/N=C(\S)/N\N=C(/S)\Nc1ccncc1)\c2ccccn2	8	%	Human herpesvirus 1	1319497
CHEMBL78296	C\C(=N/N=C(\S)/N\N=C(/S)\Nc1cccc(C)c1)\c2ccccn2	28	%	Human herpesvirus 1	1319497
CHEMBL74079	C\C(=N/N=C(\S)/N\N=C(/S)\Nc1ccccc1)\c2ccccn2	7	%	Human herpesvirus 1	1319497
CHEMBL74153	C\C(=N/N=C(\S)/N\N=C(/S)\NC12CC3CC(CC(C3)C1)C2)\c4ccccn4	47	%	Human herpesvirus 1	1319497
CHEMBL73020	C\C(=N/N=C(\S)/NNC(=S)NC(=O)c1ccccc1)\c2ccccn2	38	%	Human herpesvirus 1	1319497
CHEMBL73021	C\C(=N/N=C(\S)/N\N=C(/S)\NCCCN1CCOCC1)\c2ccccn2	12	%	Human herpesvirus 1	1319497
CHEMBL76415	C\C(=N/N=C(\S)/N\N=C(/S)\NCCN1CCOCC1)\c2ccccn2	24	%	Human herpesvirus 1	1319497
CHEMBL74563	C\C(=N/N=C(\S)/N\N=C(/S)\Nc1cccnc1)\c2ccccn2	18	%	Human herpesvirus 1	1319497
CHEMBL74856	C\C(=N/N=C(\S)/N\N=C(/S)\Nc1ccccc1C)\c2ccccn2	27	%	Human herpesvirus 1	1319497