smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1NCCCC[C@H]1NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1	4389329	VSTNILKGXGXUBP-CQSZACIVSA-N	414.530	1.528	0	30	HDAC	
COC(=O)C1=CN2c3ccccc3S[C@@]2(C(=O)OC)C(C(=O)OC)=C1C(=O)OC	8715252	UEHYFZVSDMHVIV-LJQANCHMSA-N	419.411	1.181	0	30	HDAC	
CC1(C)S[C@@H]2[C@H](N3C(=O)[C@H](c4ccc(O)cc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O	34118640	MFSKHDSIPVDCDE-RSUWNVLCSA-N	405.476	1.117	0	30	HDAC	biogenic
C[C@@](O)(C(=O)O)[C@H]1CC[C@@H]([C@@](C)(O)C(=O)O)C[C@H]1COc1cccc(C(=N)N)c1	6032003	XLCLGJABINMCJX-MHIPRRSDSA-N	408.451	1.053	0	30	HDAC	
O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(CCN2CCOCC2)CC1	20421665	CQHDZXXWTOPAQL-UHFFFAOYSA-N	412.537	1.042	0	30	HDAC	
Nc1ccc(C(=O)c2c(S(=O)(=O)O)ccc3c(O)cc(S(=O)(=O)O)cc23)cc1	33605939	QTTDHYAZGXNZRV-UHFFFAOYSA-N	423.424	1.852	0	30	HDAC	
Cc1nn(-c2ccccc2)nc1CNS(=O)(=O)c1ccc(N2CCOCC2)nc1	20223765	APOJMJDFTFKAGU-UHFFFAOYSA-N	414.491	1.286	0	30	HDAC	
CCNC[C@H](O)COc1ccc(Cc2ccc(OC[C@@H](O)CNCC)cc2)cc1	504132903	YWEWDYCKMBVUTR-SFTDATJTSA-N	402.535	1.976	0	30	HDAC	in-vitro
COc1cccc(C(c2c(N)[nH]c(=S)[nH]c2=O)c2c(N)[nH]c(=S)[nH]c2=O)c1	12340820	NRGITHPZETYSPU-UHFFFAOYSA-N	404.477	1.532	0	30	HDAC	
CO[C@H](c1cnn(-c2ccccc2)n1)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	32223491	AGGGNODSWXVAOO-GUDVDZBRSA-N	405.407	1.381	0	30	HDAC	
CCOC(=O)NC(=O)c1cn(Nc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O	1039857	MRECCXZFPFVKAQ-UHFFFAOYSA-N	421.719	1.365	0	30	HDAC	
COc1cc([C@@H]2[C@@H](C)[C@H](O)[C@H](O)[C@@H](O)[C@@H]2OC(=O)c2ccccc2)cc2c1OCO2	2265351731	JPBIESIDLGFWMM-OFNOZWIESA-N	416.426	1.466	0	30	HDAC	
COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3cccc([S@](C)=O)c3C)c2=O)cc1	8648582	RPORSWKHMFOFNJ-SSEXGKCCSA-N	424.482	1.978	0	30	HDAC	
CC[C@@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1O)[C@H]32	105127000	ZDKMPOJNYNVYLA-GZIYIDJWSA-N	414.502	1.071	0	30	HDAC	in-vitro
COc1ccc(C(c2c(N)[nH]c(=S)[nH]c2=O)c2c(N)[nH]c(=S)[nH]c2=O)cc1	12340821	RLAAZXQROFZCPT-UHFFFAOYSA-N	404.477	1.532	0	30	HDAC	
O=C(O)COCCOCCOCCOCCNC(=O)O[C@@H]1CC/C=C/CCC1	2265339977	AXAHCWPRKMZADU-WZHGYECESA-N	403.472	1.753	0	30	HDAC	
CCN(CC)CCNC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC	27563973	JFRFDXHVDSUSKP-HXUWFJFHSA-N	409.552	1.824	0	30	HDAC	
NS(=O)(=O)c1ccc(NC(=O)C2=C(O)[C@H]3C4=C(CCCC4)S[C@H]3NC2=O)cc1	2265369553	CMGVCWDQHOHDQF-FZKQIMNGSA-N	421.500	1.732	0	30	HDAC	
COC(=O)c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)oc1C	8636557	KEVOMSAEKGIPAM-UHFFFAOYSA-N	416.477	1.734	0	30	HDAC	
CN1CC[C@]23c4c5ccc(OCCN6CCOCC6)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5	38174450	QUNZXBXIXOIUFP-FKQDBXSBSA-N	400.519	1.428	0	30	HDAC	
CC(=O)Oc1ccc(C(=O)Nc2c(N)n(-c3ccccc3)c(=O)n(C)c2=O)cc1C	39125196	WOBLXEYNHHCYFL-UHFFFAOYSA-N	408.414	1.604	0	30	HDAC	
C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(-c2ccccc2)c(F)c1	44136321	PLPQBSOCUVSKTP-IYXYQCAZSA-N	420.389	1.032	0	30	HDAC	in-vitro
CC(=O)OC[C@@H]1O[C@H](SC(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	575337967	MTKXENHSHOOVMI-DMRKSPOLSA-N	406.453	1.211	0	30	HDAC	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3nccnc3C(=O)O)cc2)no1	20421625	IVIKHBPSONQKHK-UHFFFAOYSA-N	403.376	1.524	0	30	HDAC	
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(SCc1ccccc1)SCc1ccccc1	3125976	XYJQPBTZELOVDP-YDZRNGNQSA-N	410.557	1.615	0	30	HDAC	
Cn1c(=O)c2c(ncn2CC(=O)OCC(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O	608152	ICVMNUSJJHSLLM-UHFFFAOYSA-N	420.853	1.488	0	30	HDAC	biogenic,in-man
CC(=O)N1C2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2C(=O)[C@H]1Cc1ccccc1	2265279462	JLTURDPMQZKXAR-QGZVFWFLSA-N	403.394	1.954	0	30	HDAC	
CCOc1ccc(C(=O)c2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	605699410	YPBPJGIQJRTYNA-RQXATKFSSA-N	422.861	1.485	0	30	HDAC	
C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(-c2ccccc2)c(F)c1	44963383	PLPQBSOCUVSKTP-VIQYIBOPSA-N	420.389	1.032	0	30	HDAC	
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Cl	4297078	SBDKANDONRLTGF-UHFFFAOYSA-N	403.869	1.747	0	30	HDAC	
COC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2cccs2)c1	1034185	KQQOEVNQDGWUNX-CQSZACIVSA-N	401.444	1.504	0	30	HDAC	
O=C(NCCOCCOCCOCCN1C(=O)C=CC1=O)O[C@H]1CC/C=C/CCC1	2265352338	NQWWNNOZXOHINW-KROLTMCQSA-N	424.494	1.576	0	30	HDAC	
COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3cc([S@](C)=O)ccc3C)c2=O)cc1	8648869	RVVADVUIDYHESK-SSEXGKCCSA-N	424.482	1.978	0	30	HDAC	
C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)c1ccc(-c2ccccc2)c(F)c1	575346805	PLPQBSOCUVSKTP-RDZKOUMMSA-N	420.389	1.032	0	30	HDAC	
CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C[C@@H](COCC(C)C)OC(N)=O)C1=O	5651633	SFZKMHDKOKGUPG-MGPUTAFESA-N	405.451	1.549	0	30	HDAC	
Cc1cc(=O)oc2cc(OCCN3CCOCC3)cc(OCCN3CCOCC3)c12	31291708	KHVVROKBGPRWFA-UHFFFAOYSA-N	418.490	1.523	0	30	HDAC	in-man
O=C1C=CC(=O)N1c1cccc(S(=O)(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1	2564442	RNSJLHIBGRARKK-UHFFFAOYSA-N	408.391	1.378	0	30	HDAC	
CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O	20223556	SIYXJESIJXYVQF-VXGBXAGGSA-N	406.382	1.841	0	30	HDAC	
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]1OC(C)=O	38246410	NAGHJYXWJQCCPK-YTWAJWBKSA-N	420.629	1.502	0	30	HDAC	
CCCCOC[C@@H](CN1C(=O)NC(=O)[C@@](CC)(c2ccccc2)C1=O)OC(N)=O	5514227	QHZQILHUJDRDAI-FOIQADDNSA-N	405.451	1.693	0	30	HDAC	world
CC(=O)OC[C@@H]1O[C@H](SC(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	575337968	MTKXENHSHOOVMI-FIDHJVLJSA-N	406.453	1.211	0	30	HDAC	
C=C1C(=O)O[C@@H]2C/C(C)=C/CC/C(COC(C)=O)=C/[C@H](OC(=O)[C@](C)(O)CO)[C@@H]12	33848875	SQQDHMIYFXZFNM-ZTZKLGAHSA-N	408.447	1.359	0	30	HDAC	
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)n1C	1029748	KSYVYNYSQSIZJK-UHFFFAOYSA-N	400.460	1.993	0	30	HDAC	
CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O	20223554	SIYXJESIJXYVQF-NWDGAFQWSA-N	406.382	1.841	0	30	HDAC	
OCCN(Cc1ccccc1)C[C@H]1CO[C@H](CN(CCO)Cc2ccccc2)CO1	1536220546	VFRZZSIMJIFYHN-PSWAGMNNSA-N	414.546	1.759	0	30	HDAC	
CN1C(N)=N[C@@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O	213967224	YHYKUSGACIYRML-QGZVFWFLSA-N	409.418	1.417	0	30	HDAC	
O=P(O)(O)OCCOCCOCCOCCOCCOCc1ccccc1	6096411	OWCBSPOKYFVTBD-UHFFFAOYSA-N	408.384	1.379	0	30	HDAC	
CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O	4377829	SIYXJESIJXYVQF-NEPJUHHUSA-N	406.382	1.841	0	30	HDAC	
CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O	77302639	LDLANDFJIIDMRD-GARQETNWSA-N	411.410	1.498	0	30	HDAC	in-vitro
CC(=O)N1C2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2C(=O)[C@@H]1Cc1ccccc1	2265279461	JLTURDPMQZKXAR-KRWDZBQOSA-N	403.394	1.954	0	30	HDAC	
C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)c1ccc(-c2ccccc2)c(F)c1	575346804	PLPQBSOCUVSKTP-NUECCRPWSA-N	420.389	1.032	0	30	HDAC	
CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc2O1	1034780	DSHHDSMQMXSRKG-UHFFFAOYSA-N	410.517	1.916	0	30	HDAC	
O=c1cccc2n1C[C@H]1C[C@H]2CN(CCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C1	137507069	LEXDAVFCJPDCNA-YRPNKDGESA-N	406.530	1.548	0	30	HDAC	
C[C@@H](c1ccccc1)[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1	1842744	PYVUMAGVCSQCBD-VFZGTOFNSA-N	401.897	1.821	0	30	HDAC	world
O=C(CCN1C(=O)C=CC1=O)NCCOCCNC(=O)O[C@H]1CC/C=C/CCC1	2265352384	ZMJXDEVUUGCTMI-PYKQWIPUSA-N	407.467	1.049	0	30	HDAC	
CCCCOC[C@@H](CN1C(=O)NC(=O)[C@](CC)(c2ccccc2)C1=O)OC(N)=O	5514225	QHZQILHUJDRDAI-QRWLVFNGSA-N	405.451	1.693	0	30	HDAC	world
CON=C[C@@H]1C(=O)NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C1=O	4059921	CGZLQFKQGSZWHI-MRVPVSSYSA-N	407.736	1.493	0	30	HDAC	
COC(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccc(F)cc3)CC2)n1C	4324576	NQZLLYIBXHIBJQ-UHFFFAOYSA-N	409.483	1.847	0	30	HDAC	
C[C@@H](c1ccccc1)[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1	1842746	PYVUMAGVCSQCBD-BJOHPYRUSA-N	401.897	1.821	0	30	HDAC	world
CC(C)(C)OC(=O)N1CCN(Cc2ccc(B(O)OC(C)(C)C(C)(C)O)cc2)CC1	200325822	YLGUEDMPWQPRMV-UHFFFAOYSA-N	420.359	1.993	0	30	HDAC	
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C2CCCC2)CC1	4897087	PVRDKIQLSKDDPG-UHFFFAOYSA-N	407.536	1.408	0	30	HDAC	
COC(=O)c1sccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)oc1C	12340420	JLKFCAWYYBKORO-UHFFFAOYSA-N	414.461	1.709	0	30	HDAC	
COc1cc(C(=O)N2CCN(C[C@@H](O)CN3CCCCC3)CC2)cc(OC)c1OC	33883614	DZWSFCBEIDGLLO-SFHVURJKSA-N	421.538	1.317	0	30	HDAC	
COc1ccc(OC[C@H](O)CNCCNC[C@@H](O)COc2ccc(OC)cc2)cc1	22033576	ZVXXHYUUXAYZPB-QZTJIDSGSA-N	420.506	1.063	0	30	HDAC	
Nc1ccc(C(=O)c2ccc3c(O)cc(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc1	33605937	DYWFURMNLXSSFZ-UHFFFAOYSA-N	423.424	1.852	0	30	HDAC	
CCOC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@@H]21	197929229	JNROXEJORFJZKJ-KHMAMNHCSA-N	400.472	1.488	0	30	HDAC	
O=C1C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)c2nnc(C(F)(F)F)n2CCN1	503943906	CJUCSNDPMOGZTM-MRVPVSSYSA-N	421.301	1.575	0	30	HDAC	
NS(=O)(=O)c1cc2c(cc1Cl)N[C@](Cl)(Cc1ccccc1)NS2(=O)=O	3623905	PHHILWGNCGEKHB-CQSZACIVSA-N	422.315	1.827	0	30	HDAC	
Cn1cnc2c1c(=O)n(CCCN1CCN(c3ccccc3Cl)CC1)c(=O)n2C	33891772	OFENGUGKRVJIHV-UHFFFAOYSA-N	416.913	1.299	0	30	HDAC	
CC[C@@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@H]32	575627637	ZDKMPOJNYNVYLA-ZTTBFKFJSA-N	414.502	1.071	0	30	HDAC	in-vitro
O=C1CC2(CCCC2)[C@@H](O)C(=O)N1CCCCN1CCN(c2ncccn2)CC1	22060383	KOZNAHJIJGCFJJ-SFHVURJKSA-N	401.511	1.059	0	30	HDAC	world
CC[C@](CO)(COC(=O)CCCCCN)COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O	5954757	CPEPBVDDMUAZAA-YRNRMSPPSA-N	401.500	1.872	0	30	HDAC	
NS(=O)(=O)c1ccc(NC(=O)C2=C(O)[C@@H]3C4=C(CCCC4)S[C@@H]3NC2=O)cc1	2265369555	CMGVCWDQHOHDQF-UGSOOPFHSA-N	421.500	1.732	0	30	HDAC	
O=C1C[C@H](Cc2cc(F)c(F)cc2F)NC(=O)c2nnc(C(F)(F)F)n2CCN1	503943907	CJUCSNDPMOGZTM-QMMMGPOBSA-N	421.301	1.575	0	30	HDAC	
CCNC[C@H](O)COc1ccc(Cc2ccc(OC[C@H](O)CNCC)cc2)cc1	504132902	YWEWDYCKMBVUTR-OYRHEFFESA-N	402.535	1.976	0	30	HDAC	in-vitro
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)[C@H](O)C(=O)O	122100176	FICRVHUOJZUSPV-HSRRAECNSA-N	404.459	1.011	0	30	HDAC	
O[C@@H]1C[C@H]([C@H](O)CNC[C@@H](O)[C@H]2CCc3cc(F)ccc3O2)Oc2ccc(F)cc21	247748243	SHOYFMMYOPYJML-XPFWREHLSA-N	421.440	1.855	0	30	HDAC	in-vitro
COC(=O)C(=CNC=C(NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1	2265279145	OPNNTIYOVZHGRD-UHFFFAOYSA-N	423.425	1.465	0	30	HDAC	
CCCC[Sn](SCCO)(SCCO)SCCO	195751411	UZMMIZJMWXQBIK-UHFFFAOYSA-K	407.211	1.902	0	30	HDAC	
COC(=O)c1sccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1	1033594	ONMOMVQDQKAXGG-AWEZNQCLSA-N	419.434	1.643	0	30	HDAC	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nonc12	1043338	UESIWKJRIHAQAL-HNNXBMFYSA-N	400.416	1.767	0	30	HDAC	
CCNC[C@@H](O)COc1ccc(Cc2ccc(OC[C@H](O)CNCC)cc2)cc1	504132901	YWEWDYCKMBVUTR-NHCUHLMSSA-N	402.535	1.976	0	30	HDAC	in-vitro
CCCc1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)nc1	1034278	WRXXPEIPHRRUTD-UHFFFAOYSA-N	403.508	1.958	0	30	HDAC	
CC(=O)OC[C@@H]1O[C@H](SC(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	575337969	MTKXENHSHOOVMI-SMLCLMEVSA-N	406.453	1.211	0	30	HDAC	
O=C(NCc1ccc(S(=O)(=O)NCCN2CCOCC2)s1)c1ccccc1	19924982	UOIDQRGSJGGFOA-UHFFFAOYSA-N	409.533	1.289	0	30	HDAC	
COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3ccccc3[S@](C)=O)c2=O)cc1	4344970	KDJBPAURBKQHDU-GDLZYMKVSA-N	410.455	1.670	0	30	HDAC	
C[C@H](c1ccccc1)[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1	607726	PYVUMAGVCSQCBD-RFAUZJTJSA-N	401.897	1.821	0	30	HDAC	world
O=C(N[C@@H](Cn1ccc(O)nc1=O)C(=O)O)OCC1c2ccccc2-c2ccccc21	725241060	UQWVYOFMHWDMPM-SFHVURJKSA-N	421.409	1.941	0	30	HDAC	
N[C@@H](CCCCN[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	299754809	UEGAQGHCAQDPOB-KSZLIROESA-N	405.495	1.235	0	30	HDAC	
Cc1cccc(N2CCN(CCCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1	33884910	FDHMYZHWEPJWDX-UHFFFAOYSA-N	424.549	1.735	0	30	HDAC	
O=S(=O)(CCN1CCN(CCS(=O)(=O)c2ccccc2)CC1)c1ccccc1	20442196	WGFMMJBLXXZILY-UHFFFAOYSA-N	422.572	1.552	0	30	HDAC	
CCCCOC[C@H](CN1C(=O)NC(=O)[C@](CC)(c2ccccc2)C1=O)OC(N)=O	5514233	QHZQILHUJDRDAI-YWZLYKJASA-N	405.451	1.693	0	30	HDAC	world
COCCCNC(=O)c1nc2ccccc2c(=O)n1NC(=O)c1c(F)cccc1F	3162348	USUAFKAFCQXQHG-UHFFFAOYSA-N	416.384	1.825	0	30	HDAC	
CC[C@](CO)(COC(=O)CCCCCN)COC(=O)[C@H]1CCCC[C@@H]1C(=O)O	5954761	CPEPBVDDMUAZAA-FTRWYGJKSA-N	401.500	1.872	0	30	HDAC	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)[C@@H](O)C(=O)O	77868453	FICRVHUOJZUSPV-XTJBFPPFSA-N	404.459	1.011	0	30	HDAC	
O=S(=O)(NCc1cc(F)cc2c1OCOC2)c1ccc(N2CCOCC2)nc1	20223694	XLIFVUOWDDRSHQ-UHFFFAOYSA-N	409.439	1.402	0	30	HDAC	
O[C@@H]1C[C@H]([C@H](O)CNC[C@@H](O)[C@@H]2CCc3cc(F)ccc3O2)Oc2ccc(F)cc21	247748242	SHOYFMMYOPYJML-SCFBQEJPSA-N	421.440	1.855	0	30	HDAC	in-vitro
CCCCC[C@@H]1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1	1843072	AKHXXQAIVSMYIS-GFCCVEGCSA-N	401.432	1.963	0	30	HDAC	in-man
CC(C)OC(=O)OCO[P@](=O)(O)CO[C@@H](C)Cn1cnc2c(N)ncnc21	44699754	XLYSRKLPLHUWCJ-JTQLQIEISA-N	403.332	1.492	0	30	HDAC	
CO[C@H]1C[C@H]2C=C[C@@H]3[C@H]4[C@H](O)[C@@H](C)[C@@H](O)[C@@H]3O[C@@]24/C(C)=C\[C@@H](C)[C@@H]([C@@H](C)O)OC1=O	137108977	LUCYVUUQBYQHOV-GFCOOTNGSA-N	422.518	1.208	0	30	HDAC	
COc1cc(C(c2c(N)[nH]c(=S)[nH]c2=O)c2c(N)[nH]c(=S)[nH]c2=O)ccc1O	12340819	TYRYXOBSUYZAQF-UHFFFAOYSA-N	420.476	1.237	0	30	HDAC	
COC(=O)c1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccs3)CC2)n1C	1029541	GSSREXBKGLBXIT-UHFFFAOYSA-N	411.505	1.410	0	30	HDAC	
COC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2ccccc2)c1	4334008	MJAZREMZASEYEA-QGZVFWFLSA-N	410.430	1.834	0	30	HDAC	
NS(=O)(=O)c1ccc(NC(=O)C2=C(O)[C@@H]3C4=C(CCCC4)S[C@H]3NC2=O)cc1	2265369554	CMGVCWDQHOHDQF-SCLBCKFNSA-N	421.500	1.732	0	30	HDAC	
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1	4362729	BUMCIASNIRPGAH-UHFFFAOYSA-N	409.514	1.936	0	30	HDAC	
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1	607878	DZSKXGDTCMADPR-MRXNPFEDSA-N	421.494	1.876	0	30	HDAC	in-man
Cc1cccc(Nc2ccccc2C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1C	5161159	DAHIGOGKMFBIOR-CURYNPBISA-N	417.414	1.096	0	30	HDAC	in-vitro
CC(=O)O[C@H]1CCN2C[C@H](OCc3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]12	38245724	XRLCDWCCUKLSQJ-WRTQPQOASA-N	405.447	1.455	0	30	HDAC	
CCOCCOCCOB(OCCOCCOCC)OCCOCCOCC	196630962	KIIAGUXVNQQAHX-UHFFFAOYSA-N	410.313	1.180	0	30	HDAC	
O=C1NCCCC[C@@H]1NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1	4389330	VSTNILKGXGXUBP-AWEZNQCLSA-N	414.530	1.528	0	30	HDAC	
Cc1ccc(S(=O)(=O)n2cc(B(O)OC(C)(C)C(C)(C)O)c3cccnc32)cc1	575321442	RYSSMTWKSDZCPV-UHFFFAOYSA-N	416.308	1.835	0	30	HDAC	
NS(=O)(=O)c1cc2c(cc1Cl)N[C@@](Cl)(Cc1ccccc1)NS2(=O)=O	3623907	PHHILWGNCGEKHB-AWEZNQCLSA-N	422.315	1.827	0	30	HDAC	
CC(=O)N[C@@H](CSCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)O	26020249	SEQPPJZLZIXXRN-CKMOMWRASA-N	400.497	1.610	0	30	HDAC	
CCN(CC)CCNC(=O)CC(=O)N1CCS[C@H]1COc1ccccc1OC	27563976	JFRFDXHVDSUSKP-FQEVSTJZSA-N	409.552	1.824	0	30	HDAC	
CCOC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12	2265351730	JNROXEJORFJZKJ-AHDPXTMNSA-N	400.472	1.488	0	30	HDAC	
COc1cc(C(=O)N2CCN(C[C@H](O)CN3CCCCC3)CC2)cc(OC)c1OC	33883613	DZWSFCBEIDGLLO-GOSISDBHSA-N	421.538	1.317	0	30	HDAC	
CCC(CC)[C@@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C	72191288	YMZFCNQNTWLIEW-MZBWOGCUSA-N	400.516	1.991	0	30	HDAC	in-vitro
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	95832038	CMMATKPKXHWIGL-UHFFFAOYSA-N	420.250	1.184	0	30	HDAC	
COC(=O)c1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)Nc2ccccc2)c1	4334009	MJAZREMZASEYEA-KRWDZBQOSA-N	410.430	1.834	0	30	HDAC	
O=[P@]1(O)OC[C@H]2O[C@@H](n3cnc4c(Nc5ccccc5)ncnc43)[C@H](O)[C@@H]2O1	35826809	NQSOTFUZBAFQQS-XNIJJKJLSA-N	405.307	1.344	0	30	HDAC	
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O	77302637	LDLANDFJIIDMRD-OLOCUOQDSA-N	411.410	1.498	0	30	HDAC	in-vitro
Cn1nc(C(F)(F)F)c2c1OC[C@@H](CS(C)(=O)=O)N(C(=O)OC(C)(C)C)C2	725712226	HZUQJEXHKAUPFC-VIFPVBQESA-N	413.418	1.982	0	30	HDAC	
CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C[C@@H](COCC(C)C)OC(N)=O)C1=O	5651312	SFZKMHDKOKGUPG-YWZLYKJASA-N	405.451	1.549	0	30	HDAC	
O=C(NCCOCCOCCOCCN1C(=O)C=CC1=O)O[C@@H]1CC/C=C/CCC1	2265352339	NQWWNNOZXOHINW-ZMXQLYDGSA-N	424.494	1.576	0	30	HDAC	
Cn1c(Cc2nc(-c3cnccn3)no2)nnc1SCC(=O)Nc1ccccc1	1040017	HUHUCJZYCGUERU-UHFFFAOYSA-N	408.447	1.977	0	30	HDAC	
O=C(O)c1c2n(c3cc(N4CC[C@@H](CNCCO)C4)c(F)cc3c1=O)CCS2	59536790	IBGMUCYZVSONBO-NSHDSACASA-N	407.467	1.353	0	30	HDAC	
OCCNc1nc(N2CCCCC2)c2nc(NCCO)nc(N3CCCCC3)c2n1	28710613	PNNHNKCEAAYNQD-UHFFFAOYSA-N	416.530	1.209	0	30	HDAC	
O=C1[C@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2C(=O)N1CCOc1ccccc1	1082839286	DFPKTFFFDJMYGO-GJZGRUSLSA-N	406.485	1.433	0	30	HDAC	
O=C(O)COCCOCCOCCOCCNC(=O)O[C@H]1CC/C=C/CCC1	2265339976	AXAHCWPRKMZADU-IMLGJKEDSA-N	403.472	1.753	0	30	HDAC	
O=C(CCN1C(=O)C=CC1=O)NCCOCCNC(=O)O[C@@H]1CC/C=C/CCC1	2265352385	ZMJXDEVUUGCTMI-XGBNDESESA-N	407.467	1.049	0	30	HDAC	
NS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	700655033	ZFQQVDPTXMFPQZ-QGZVFWFLSA-N	404.444	1.657	0	30	HDAC	
CCOC(=O)COc1cc(Br)cc(B(O)OC(C)(C)C(C)(C)O)c1	604934422	IZPJIGADDGAZFV-UHFFFAOYSA-N	403.078	1.645	0	30	HDAC	
CC1(C)C[C@H](C(=O)NCCCNC(=O)CI)C(C)(C)N1[O]	117813429	XUQAVKPTKCCCPP-SNVBAGLBSA-N	410.276	1.269	0	30	HDAC	
NS(=O)(=O)c1ccc(NC(=O)C2=C(O)[C@H]3C4=C(CCCC4)S[C@@H]3NC2=O)cc1	2265369552	CMGVCWDQHOHDQF-ACJLOTCBSA-N	421.500	1.732	0	30	HDAC	
COC(=O)c1sccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1	1033595	ONMOMVQDQKAXGG-CQSZACIVSA-N	419.434	1.643	0	30	HDAC	
COc1ccc(CC(=O)N(Cc2ccccc2)c2c(N)[nH]c(=O)n(C)c2=O)cc1OC	39125247	XKWOEELHSCLANY-UHFFFAOYSA-N	424.457	1.449	0	30	HDAC	
COC(=O)c1csc(S(=O)(=O)NCc2nn(-c3ccccc3)nc2C)c1OC	1034907	OAEVANHDPYIWEV-UHFFFAOYSA-N	422.488	1.911	0	30	HDAC	
C=CCCCCCCCCC(=O)NCCOC(=O)[C@@H](CC(=O)O)S(=O)(=O)O	5157643	QMHAHJBAWADTRH-CQSZACIVSA-N	407.485	1.684	0	30	HDAC	
Cn1c(C(=O)O)ccc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	6156825	NOONNDNXIWBFBS-UHFFFAOYSA-N	418.397	1.648	0	30	HDAC	
O=C1[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@H]2C(=O)N1CCOc1ccccc1	1082839287	DFPKTFFFDJMYGO-HUUCEWRRSA-N	406.485	1.433	0	30	HDAC	
COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccc(N(C)C)cc2)cc1	1033423	SHHAFYKKMRLWDR-IBGZPJMESA-N	410.474	1.731	0	30	HDAC	
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C	34064520	YGJGUDWTWGIYMD-AKSOXMLASA-N	418.461	1.997	0	30	HDAC	
C[C@](O)(C(=O)O)[C@H]1CC[C@@H]([C@@](C)(O)C(=O)O)C[C@H]1COc1cccc(C(=N)N)c1	256118106	XLCLGJABINMCJX-VJAONZJPSA-N	408.451	1.053	0	30	HDAC	
CON=C[C@H]1C(=O)NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C1=O	4059922	CGZLQFKQGSZWHI-QMMMGPOBSA-N	407.736	1.493	0	30	HDAC	
CC1=C(S(=O)(=O)O)C(C)=[N+]2C1=C(C)c1c(C)c(S(=O)(=O)O)c(C)n1[B-]2(F)F	196031314	GVCNGASQPSGCIK-UHFFFAOYSA-N	422.240	1.968	0	30	HDAC	in-vitro
CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2nccnc2C(=O)O)c1	4307552	DFGFVWJARSYIBE-UHFFFAOYSA-N	400.391	1.440	0	30	HDAC	
COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3cccc([S@@](C)=O)c3C)c2=O)cc1	8648583	RPORSWKHMFOFNJ-PMERELPUSA-N	424.482	1.978	0	30	HDAC	
CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O	4377830	SIYXJESIJXYVQF-RYUDHWBXSA-N	406.382	1.841	0	30	HDAC	
COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3cc([S@@](C)=O)ccc3C)c2=O)cc1	8648870	RVVADVUIDYHESK-PMERELPUSA-N	424.482	1.978	0	30	HDAC	
COC(=O)C1=CN2c3ccccc3S[C@]2(C(=O)OC)C(C(=O)OC)=C1C(=O)OC	8715251	UEHYFZVSDMHVIV-IBGZPJMESA-N	419.411	1.181	0	30	HDAC	
CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C[C@H](COCC(C)C)OC(N)=O)C1=O	5651637	SFZKMHDKOKGUPG-FOIQADDNSA-N	405.451	1.549	0	30	HDAC	
CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OCc1ccccc1	6692679	CXNXUYGQOQJMMX-SWBPCFCJSA-N	410.419	1.370	0	30	HDAC	in-vitro
O=C(N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1	29203101	UVLMBMAKGAUBDU-OALUTQOASA-N	423.469	1.220	0	30	HDAC	
COc1ccc(OC[C@@H](O)CNCCNC[C@H](O)COc2ccc(OC)cc2)cc1	22033572	ZVXXHYUUXAYZPB-ROUUACIJSA-N	420.506	1.063	0	30	HDAC	
COC(=O)c1sccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1	4333486	VHPREVXNKLGMNH-CQSZACIVSA-N	416.459	1.896	0	30	HDAC	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)[C@@H](O)C(=O)O	77868452	FICRVHUOJZUSPV-FBYLGTSDSA-N	404.459	1.011	0	30	HDAC	
COC(=O)c1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n1C	1029520	BCHCVNJWKCLTJO-UHFFFAOYSA-N	401.485	1.443	0	30	HDAC	
NS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2583225	ZFQQVDPTXMFPQZ-KRWDZBQOSA-N	404.444	1.657	0	30	HDAC	
O[C@@H](CNC[C@@H](O)[C@H]1C[C@@H](O)c2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1	247748241	SHOYFMMYOPYJML-PEWUMXJESA-N	421.440	1.855	0	30	HDAC	in-vitro
COCCOCCOCCOc1ccccc1OCCOCCOCCOC	21299666	ZIBIRFWJYSIJIK-UHFFFAOYSA-N	402.484	1.803	0	30	HDAC	
O=C(N[C@H](Cn1ccc(O)nc1=O)C(=O)O)OCC1c2ccccc2-c2ccccc21	725241059	UQWVYOFMHWDMPM-GOSISDBHSA-N	421.409	1.941	0	30	HDAC	
CC1(C)C[C@@H](C(=O)NCCCNC(=O)CI)C(C)(C)N1[O]	117813426	XUQAVKPTKCCCPP-JTQLQIEISA-N	410.276	1.269	0	30	HDAC	
CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)[C@@H]1O	514287277	YMZFCNQNTWLIEW-XAJHFOFHSA-N	400.516	1.991	0	30	HDAC	
CCCCOC[C@H](CN1C(=O)NC(=O)[C@@](CC)(c2ccccc2)C1=O)OC(N)=O	4213231	QHZQILHUJDRDAI-MGPUTAFESA-N	405.451	1.693	0	30	HDAC	world
CN1CCN(CCCNS(=O)(=O)c2ccc(I)cc2)CC1	23368799	KYJRFWGOEQDISU-UHFFFAOYSA-N	423.320	1.207	0	30	HDAC	
COC(=O)c1sccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1	1033435	DLZGJZZHYQSMKL-CQSZACIVSA-N	401.444	1.504	0	30	HDAC	
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	34064550	WXURHACBFYSXBI-LZZKCALMSA-N	410.457	1.844	0	30	HDAC	in-vitro
COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)N1CC=CCS1(=O)=O	223562293	RNFZEZOBCARIIS-KRWDZBQOSA-N	410.492	1.826	0	30	HDAC	
COc1ccc([C@H]2OC[C@H]3O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3O2)cc1	95921460	YSPPODKEDCPWPH-BOQPXBONSA-N	424.402	1.261	0	30	HDAC	
CC[C@](CO)(COC(=O)CCCCCN)COC(=O)[C@@H]1CCCC[C@H]1C(=O)O	256104020	CPEPBVDDMUAZAA-QINHECLXSA-N	401.500	1.872	0	30	HDAC	
CC(=O)Oc1cc(O)cc(C(=O)Nc2c(N)n(-c3ccccc3)c(=O)n(C)c2=O)c1	39125214	WRYOXYHXYXXOEN-UHFFFAOYSA-N	410.386	1.002	0	30	HDAC	
COC(=O)c1sccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1	1033434	DLZGJZZHYQSMKL-AWEZNQCLSA-N	401.444	1.504	0	30	HDAC	
Cc1ccc(OCCOCCOCCOCCOCCOP(=O)(O)O)cc1	6070947	CNCPGWWJGQPHCV-UHFFFAOYSA-N	408.384	1.550	0	30	HDAC	
CCOC(=O)c1cnc(NNS(=O)(=O)c2ccc(OC)cc2)nc1C(F)(F)F	8618122	DORDWMMTMMECNA-UHFFFAOYSA-N	420.369	1.986	0	30	HDAC	
OCc1c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(O)nc2ncnn12	33895373	RDDHQCVFOXNLEM-UHFFFAOYSA-N	400.402	1.760	0	30	HDAC	
CC(C)(C)OC(=O)COCCOCCOCCOCCOCC(=O)OC(C)(C)C	39144073	OXGKWAKSCLGSMP-UHFFFAOYSA-N	422.515	1.753	0	30	HDAC	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC(N)C2)cc1	71373259	NEJZOSOGFFNALR-UHFFFAOYSA-N	423.560	1.326	0	30	HDAC	
O[C@@H](CNC[C@@H](O)[C@H]1C[C@@H](O)c2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1	247748240	SHOYFMMYOPYJML-CBJMIOPYSA-N	421.440	1.855	0	30	HDAC	in-vitro
COc1ccc(OC)c(S(=O)(=O)C[C@@H](O)CS(=O)(=O)c2ccccc2)c1	1042349	WHBBDAYRXRSSDG-ZDUSSCGKSA-N	400.474	1.312	0	30	HDAC	
COc1ccc(OC)c(S(=O)(=O)C[C@H](O)CS(=O)(=O)c2ccccc2)c1	1042348	WHBBDAYRXRSSDG-CYBMUJFWSA-N	400.474	1.312	0	30	HDAC	
Cc1ccc(N2CC(=O)N(NC(=O)CN3CCN(c4ccccc4)CC3)CC2=O)cc1	35610534	IBNNGPHRQLFQMR-UHFFFAOYSA-N	421.501	1.024	0	30	HDAC	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)CCC(=O)O)CC3)cc21	538102	ONOFKJOCWGUUAT-UHFFFAOYSA-N	419.409	1.372	0	30	HDAC	in-man
COc1ccc([C@@H]2OC[C@H]3O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3O2)cc1	39163645	YSPPODKEDCPWPH-DAUOMPHXSA-N	424.402	1.261	0	30	HDAC	
O=C1c2ccccc2S(=O)(=O)N1CCCCN1C(=O)c2ccccc2S1(=O)=O	2145719	AFNUPHRFAPJZAV-UHFFFAOYSA-N	420.468	1.456	0	30	HDAC	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nonc12	1043337	UESIWKJRIHAQAL-OAHLLOKOSA-N	400.416	1.767	0	30	HDAC	
CC1(C)[C@H](C(=O)N[C@H](CO)Cc2ccccc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1	2265343819	RQVVHSSUGAURAX-LRSLUSHPSA-N	424.541	1.698	0	30	HDAC	
Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCN3C(=O)C=CC3=O)=[N+]1[B-]2(F)F	230495690	OEMKXDGSMCHMJQ-UHFFFAOYSA-N	414.221	1.527	0	30	HDAC	
COc1cc(CCCO)ccc1O[C@H](CO)C(=O)c1cc(OC)c(O)c(OC)c1	14515110	OBLZEQONZQCOAS-LJQANCHMSA-N	406.431	1.966	0	30	HDAC	biogenic
Nc1nc(N)nc(NCCCCCCCCCCCCNc2nc(N)nc(N)n2)n1	27095140	DVBLMQVWQDZIIF-UHFFFAOYSA-N	418.554	1.810	0	30	HDAC	
CC(=O)OC[C@@H]1O[C@H](SC(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	206913963	MTKXENHSHOOVMI-MZBWOGCUSA-N	406.453	1.211	0	30	HDAC	
C[C@H](c1ccccc1)[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1	1842745	PYVUMAGVCSQCBD-PSLIRLAXSA-N	401.897	1.821	0	30	HDAC	world
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCCN1Cc1ccc(F)cc1	3604385	DZSKXGDTCMADPR-INIZCTEOSA-N	421.494	1.876	0	30	HDAC	in-man
NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](C(Cl)(Cl)Cl)NS2(=O)=O	1481928	GUTZRTRUIMWMJZ-SSDOTTSWSA-N	415.107	1.388	0	30	HDAC	in-man
COc1ccc(OC[C@@H](O)CNCCNC[C@@H](O)COc2ccc(OC)cc2)cc1	19360878	ZVXXHYUUXAYZPB-HDICACEKSA-N	420.506	1.063	0	30	HDAC	
CC(C)(C)OC(=O)N1CCN(c2ccccc2B(O)OC(C)(C)C(C)(C)O)CC1	604970845	YPJOFBUCJAIHBG-UHFFFAOYSA-N	406.332	1.997	0	30	HDAC	
NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](C(Cl)(Cl)Cl)NS2(=O)=O	1999303	GUTZRTRUIMWMJZ-ZETCQYMHSA-N	415.107	1.388	0	30	HDAC	in-man
COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3ccccc3[S@@](C)=O)c2=O)cc1	1040219	KDJBPAURBKQHDU-LJAQVGFWSA-N	410.455	1.670	0	30	HDAC	
CC1(C)OC[C@@H](COCCOCCOCCOCCCNC(=O)C(F)(F)F)O1	43163795	KEQAWQQAVSQOOV-CQSZACIVSA-N	417.421	1.273	0	30	HDAC	
Cn1c(=O)n(C)c2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc21	113254051	YVNXUGWVLDZUEP-UHFFFAOYSA-N	404.409	1.848	0	30	HDAC	
O=C(O)CCC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO)NC(=O)C(Cl)Cl	111473774	VDKRBXTUCASQRA-ZWNOBZJWSA-N	423.205	1.325	0	30	HDAC	
Cc1cc(B(O)OC(C)(C)C(C)(C)O)cnc1N1CCN(C(=O)OC(C)(C)C)CC1	263584330	QDJRCFDUIGFCSO-UHFFFAOYSA-N	421.347	1.701	0	30	HDAC	
COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(N(C)C)cc2)cc1	1033422	SHHAFYKKMRLWDR-LJQANCHMSA-N	410.474	1.731	0	30	HDAC	
O=C1CC2(CCCC2)[C@H](O)C(=O)N1CCCCN1CCN(c2ncccn2)CC1	22060380	KOZNAHJIJGCFJJ-GOSISDBHSA-N	401.511	1.059	0	30	HDAC	world
CCCCC[C@H]1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1	1843070	AKHXXQAIVSMYIS-LBPRGKRZSA-N	401.432	1.963	0	30	HDAC	in-man
O=C(O)c1c2n(c3cc(N4CC[C@H](CNCCO)C4)c(F)cc3c1=O)CCS2	59536779	IBGMUCYZVSONBO-LLVKDONJSA-N	407.467	1.353	0	30	HDAC	
COC(=O)c1ccc(S(=O)(=O)NCCNc2cccc(C(F)(F)F)n2)n1C	19834728	DJEXVIJQKJSETL-UHFFFAOYSA-N	406.386	1.616	0	30	HDAC	
CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C[C@H](COCC(C)C)OC(N)=O)C1=O	5651316	SFZKMHDKOKGUPG-QRWLVFNGSA-N	405.451	1.549	0	30	HDAC	
Cn1nc(C(F)(F)F)c2c1OC[C@H](CS(C)(=O)=O)N(C(=O)OC(C)(C)C)C2	725712225	HZUQJEXHKAUPFC-SECBINFHSA-N	413.418	1.982	0	30	HDAC	
COc1ccc(S(=O)(=O)CC(C)(O)CS(=O)(=O)c2ccc(OC)cc2)cc1	1039645	QONHTWRKKYZNHG-UHFFFAOYSA-N	414.501	1.702	0	30	HDAC	
CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)O)nn12	43065400	YIANBKOBVRMNPR-UHFFFAOYSA-N	415.790	1.815	0	30	HDAC	in-vitro
Cc1c(B(O)OC(C)(C)C(C)(C)O)ccc(OCCN2CCN(C)CC2)c1Cl	2265362106	KBZGVUIBVCYMQC-UHFFFAOYSA-N	412.767	1.528	0	30	HDAC	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)[C@H](O)C(=O)O	122099988	FICRVHUOJZUSPV-YGHPUWFBSA-N	404.459	1.011	0	30	HDAC	
CC(C)N(CCCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12	142232350	NRPWTMCAGUNEIE-NVQRDWNXSA-N	419.530	1.275	0	30	HDAC	
C[C@](O)(C(=O)O)[C@H]1CC[C@@H]([C@@](C)(O)C(=O)O)C[C@@H]1COc1cccc(C(=N)N)c1	256118101	XLCLGJABINMCJX-VGKABWROSA-N	408.451	1.053	0	30	HDAC	
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1ccccc1	4343053	XILYXPMGDAVPPF-YKGACUOXSA-N	402.399	1.162	0	30	HDAC	
CCOC(=O)[C@]1(OP(=O)(OC)OC)C=C[C@@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@@H]21	2265352255	YOQASLGATBBCBI-DVZHBHJUSA-N	407.356	1.300	0	30	HDAC	
C=CC(=O)OCC1(COC(=O)C=C)CCC(COC(=O)C=C)(COC(=O)C=C)C1=O	38595349	ZYPHDVCHZLZXRM-UHFFFAOYSA-N	420.414	1.239	0	30	HDAC	
CC(=O)O[C@H]1CO[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@H]1OC(C)=O	136016498	NAGHJYXWJQCCPK-UKKRHICBSA-N	420.629	1.502	0	30	HDAC	
CCOC(=O)C1=C[C@@H](OP(=O)(OC)OC)[C@@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12	2265351715	IUGKOLXLZRFQMI-SYQHCUMBSA-N	407.356	1.300	0	30	HDAC	
CCCc1cnc(N2CCCN(S(=O)(=O)c3ccc(C(=O)OC)n3C)CC2)nc1	1029548	DYECFWMRMGOBON-UHFFFAOYSA-N	421.523	1.455	0	30	HDAC	
CCOC(=O)NC(=O)c1cn(Nc2ncc(Cl)cc2C(F)(F)F)c(=O)[nH]c1=O	1039858	HIRZQXBAVKYJGU-UHFFFAOYSA-N	421.719	1.365	0	30	HDAC	
Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1B(O)OC(C)(C)C(C)(C)O	200309138	IBARRFIRILEWGG-UHFFFAOYSA-N	421.347	1.701	0	30	HDAC	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)C=C[C@](C)(C[C@@H](OC(=O)/C(=C\C)COC(C)=O)[C@@H]12)O3	33849010	PVBVYSOUXOHMEA-QLPNIUCISA-N	418.442	1.889	0	30	HDAC	
Cc1ccc(S(=O)(=O)NC(=O)NCCNc2nccc(C(F)(F)F)n2)cc1	3467454	YGBZGHPQCKRAPS-UHFFFAOYSA-N	403.386	1.904	0	30	HDAC	
COC(=O)c1sccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1	4333489	VHPREVXNKLGMNH-AWEZNQCLSA-N	416.459	1.896	0	30	HDAC	
O=c1c(N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)coc2ccccc12	1028460	YZTMDAIHELECFI-UHFFFAOYSA-N	412.427	1.840	0	30	HDAC	
C[C@@](O)(C(=O)O)[C@H]1CC[C@@H]([C@@](C)(O)C(=O)O)C[C@@H]1COc1cccc(C(=N)N)c1	256117848	XLCLGJABINMCJX-HAPLINFISA-N	408.451	1.053	0	30	HDAC	
CC[C@](CO)(COC(=O)CCCCCN)COC(=O)[C@H]1CCCC[C@H]1C(=O)O	256104018	CPEPBVDDMUAZAA-GUXCAODWSA-N	401.500	1.872	0	30	HDAC	
COc1cc(CCCO)ccc1O[C@@H](CO)C(=O)c1cc(OC)c(O)c(OC)c1	14515113	OBLZEQONZQCOAS-IBGZPJMESA-N	406.431	1.966	0	30	HDAC	biogenic,in-vitro
C=CCCCCCCCCC(=O)NCCOC(=O)[C@H](CC(=O)O)S(=O)(=O)O	5157644	QMHAHJBAWADTRH-AWEZNQCLSA-N	407.485	1.684	0	30	HDAC	
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)ccc2n1	1703901	RJMVWPJFVJJJLO-HNNXBMFYSA-N	424.417	1.064	0	30	HDAC	
COCCOc1cc2ncnc(N3CCC(C(=O)O)CC3)c2cc1OCCOC	4324313	OYRHLQQKXDAIBQ-UHFFFAOYSA-N	405.451	1.981	0	30	HDAC	
CC1(C)OC[C@H](COCCOCCOCCOCCCNC(=O)C(F)(F)F)O1	43163793	KEQAWQQAVSQOOV-AWEZNQCLSA-N	417.421	1.273	0	30	HDAC	
COC(=O)c1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2cccs2)c1	1034184	KQQOEVNQDGWUNX-AWEZNQCLSA-N	401.444	1.504	0	30	HDAC