ZINC 12

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  ZINC ID or SMILES

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StruChem BB make-on-demand

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Functional 10μM Targets with Highest Number of Available Compounds (312 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	40	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	16	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	15	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_HUMAN	Q96RJ0	CHEMBL5857	Trace amine-associated receptor 1	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_CAVPO	Q8K4Z4	CHEMBL5414	Beta-2 adrenergic receptor	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80064	Z80064	CHEMBL382	CCRF-CEM (T-cell leukemia)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80295	Z80295	CHEMBL388	MT4 (Lymphocytes)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_RAT	P15207	CHEMBL3072	Androgen Receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BCL2_HUMAN	P10415	CHEMBL4860	Apoptosis regulator Bcl-2	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50472	Z50472	CHEMBL612888	Toxoplasma gondii	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50652	Z50652	CHEMBL613740	Influenza A virus	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80052	Z80052	CHEMBL614533	C8166 (Leukemic T-cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81138	Z81138	CHEMBL613872	ScN2a (Scrapie-infected neuroblastoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_HUMAN	P28222	CHEMBL1898	Serotonin 1b (5-HT1b) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_HUMAN	P28221	CHEMBL1983	Serotonin 1d (5-HT1d) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_HUMAN	P07550	CHEMBL210	Beta-2 adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_HUMAN	P10275	CHEMBL1871	Androgen Receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_HUMAN	P09917	CHEMBL215	Arachidonate 5-lipoxygenase	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q72547_9HIV1	Q72547	CHEMBL247	Human immunodeficiency virus type 1 reverse transcriptase	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_RAT	P23977	CHEMBL338	Dopamine transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101822	Z101822	CHEMBL613193	H3N2 subtype	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103204	Z103204	CHEMBL1075389	A427	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50142	Z50142	CHEMBL612610	Influenza A virus (A/PR/8/34(H1N1))	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50185	Z50185	CHEMBL352	Staphylococcus aureus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50424	Z50424	CHEMBL612855	Cryptosporidium parvum	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50467	Z50467	CHEMBL612884	Trichomonas vaginalis	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50473	Z50473	CHEMBL612653	Plasmodium berghei	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50590	Z50590	CHEMBL613488	Sus scrofa	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50658	Z50658	CHEMBL380	Human immunodeficiency virus 2	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50677	Z50677	CHEMBL613758	Human immunodeficiency virus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80566	Z80566	CHEMBL612794	U-937 (Histiocytic lymphoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81047	Z81047	CHEMBL614685	Human T-cell line	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_CAVPO	P31389	CHEMBL3943	Histamine H1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRP1_PLAFA	P05227	CHEMBL1923	Histidine-rich protein	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR1_HUMAN	P08183	CHEMBL4302	P-glycoprotein 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR1_MOUSE	P06795	CHEMBL3467	P-glycoprotein 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX1_HUMAN	P51575	CHEMBL2094	P2X purinoceptor 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY1_HUMAN	P47900	CHEMBL4315	Purinergic receptor P2Y1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY1_RAT	P49651	CHEMBL2497	Purinergic receptor P2Y1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2Y11_HUMAN	Q96G91	CHEMBL4867	Purinergic receptor P2Y11	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2Y12_RAT	Q9EPX4	CHEMBL2188	Purinergic receptor P2Y12	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE4B_HUMAN	Q07343	CHEMBL275	Phosphodiesterase 4B	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE4D_HUMAN	Q08499	CHEMBL288	Phosphodiesterase 4D	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_HUMAN	P23219	CHEMBL221	Cyclooxygenase-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARA_HUMAN	Q07869	CHEMBL239	Peroxisome proliferator-activated receptor alpha	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_HUMAN	P37231	CHEMBL235	Peroxisome proliferator-activated receptor gamma	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_MOUSE	P37238	CHEMBL2459	Peroxisome proliferator-activated receptor gamma	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9WTR4_RAT	Q9WTR4	CHEMBL304	Norepinephrine transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RXRA_HUMAN	P19793	CHEMBL2061	Retinoid X receptor alpha	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A2_HUMAN	P23975	CHEMBL222	Norepinephrine transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_HUMAN	Q01959	CHEMBL238	Dopamine transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_HUMAN	P31645	CHEMBL228	Serotonin transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100275	Z100275	CHEMBL613898	Hemozoin	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100489	Z100489	CHEMBL614636	eosinophils (Eosinophils)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100498	Z100498	CHEMBL613289	Hepatocytes	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101682	Z101682	CHEMBL613915	BK polyomavirus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101821	Z101821	CHEMBL612765	H2N2 subtype	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102013	Z102013	CHEMBL613257	Plasmodium malariae	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102015	Z102015	CHEMBL613013	Plasmodium vivax	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102116	Z102116	CHEMBL613159	Toxoplasma gondii RH	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50038	Z50038	CHEMBL612328	Plasmodium yoelii yoelii	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50136	Z50136	CHEMBL612608	Plasmodium falciparum (isolate FcB1 / Columbia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50186	Z50186	CHEMBL353	Staphylococcus epidermidis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50339	Z50339	CHEMBL613064	Pneumocystis carinii	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50362	Z50362	CHEMBL613075	Lactobacillus casei	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50474	Z50474	CHEMBL612889	Plasmodium yoelii	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50523	Z50523	CHEMBL613129	Influenza B virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50525	Z50525	CHEMBL613131	Tacaribe virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50602	Z50602	CHEMBL377	Human herpesvirus 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80006	Z80006	CHEMBL614510	3T3-L1 (Fibroblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80076	Z80076	CHEMBL614548	CEM-SS (T-cell leukemia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80089	Z80089	CHEMBL614555	CHO-AA8	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80106	Z80106	CHEMBL614563	COS-1 (Kidney cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80112	Z80112	CHEMBL614033	DAN-G	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80285	Z80285	CHEMBL614177	MOLT-4 (Acute T-lymphoblastic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80294	Z80294	CHEMBL614184	MT2 (Lymphocytes)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80409	Z80409	CHEMBL614385	R2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80414	Z80414	CHEMBL614628	Raji (B-lymphoblastic cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80493	Z80493	CHEMBL614925	SK-OV-3 (Ovarian carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80523	Z80523	CHEMBL614944	SW1353	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80578	Z80578	CHEMBL612800	UV4	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80667	Z80667	CHEMBL614262	AA8	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80901	Z80901	CHEMBL614392	HaCaT (Keratinocytes)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81024	Z81024	CHEMBL396	NCI-H460 (Non-small cell lung carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81054	Z81054	CHEMBL613977	SF-268 (Glioblastoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1F_HUMAN	P30939	CHEMBL1805	Serotonin 1f (5-HT1f) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_RAT	P14842	CHEMBL322	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_RAT	P30994	CHEMBL323	Serotonin 2b (5-HT2b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_RAT	P08909	CHEMBL324	Serotonin 2c (5-HT2c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_HUMAN	P29274	CHEMBL251	Adenosine A2a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_RABIT	O02824	CHEMBL3637	Alpha-1a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_RABIT	O02666	CHEMBL4407	Alpha-1d adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB1_HUMAN	P08588	CHEMBL213	Beta-1 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB1_RAT	P18090	CHEMBL3252	Beta-1 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_RAT	P10608	CHEMBL3754	Beta-2 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_HUMAN	P13945	CHEMBL246	Beta-3 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_RAT	P26255	CHEMBL4031	Beta-3 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
C11B1_BOVIN	P15150	CHEMBL2927	Cytochrome P450 11B1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH4_BOVIN	Q95323	CHEMBL281	Carbonic anhydrase IV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CLTR1_HUMAN	Q9Y271	CHEMBL1798	Cysteinyl leukotriene receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CLTR2_HUMAN	Q9NS75	CHEMBL4330	Cysteinyl leukotriene receptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CXCR4_HUMAN	P61073	CHEMBL2107	C-X-C chemokine receptor type 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_LACCA	P00381	CHEMBL2902	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FFAR1_HUMAN	O14842	CHEMBL4422	Free fatty acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH2_HUMAN	P25021	CHEMBL1941	Histamine H2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_HUMAN	Q9Y5N1	CHEMBL264	Histamine H3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_RAT	Q9QYN8	CHEMBL4124	Histamine H3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ITA2B_HUMAN	P08514	CHEMBL212	Integrin alpha-IIb	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ITB3_HUMAN	P05106	CHEMBL207	Integrin beta-3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_RAT	P12527	CHEMBL312	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK11_HUMAN	Q15759	CHEMBL3961	MAP kinase p38 beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK12_HUMAN	P53778	CHEMBL4674	MAP kinase p38 gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK13_HUMAN	O15264	CHEMBL2939	MAP kinase p38 delta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK14_HUMAN	Q16539	CHEMBL260	MAP kinase p38 alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMD3B_RAT	Q8VHN2	CHEMBL282	Glutamate [NMDA] receptor subunit 3B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE2_RAT	Q00960	CHEMBL311	Glutamate [NMDA] receptor subunit epsilon 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE3_RAT	Q00961	CHEMBL401	Glutamate [NMDA] receptor subunit epsilon 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE4_RAT	Q62645	CHEMBL303	Glutamate [NMDA] receptor subunit epsilon 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
O3FA1_HUMAN	Q5NUL3	CHEMBL5339	G-protein coupled receptor 120	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX1_RAT	P47824	CHEMBL2530	P2X purinoceptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX2_RAT	P49653	CHEMBL2135	P2X purinoceptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX3_HUMAN	P56373	CHEMBL2998	P2X purinoceptor 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX4_HUMAN	Q99571	CHEMBL2104	P2X purinoceptor 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX4_RAT	P51577	CHEMBL2818	P2X purinoceptor 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX5_RAT	P51578	CHEMBL2495	P2X purinoceptor 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX6_RAT	P51579	CHEMBL2122	P2X purinoceptor 6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY1_MELGA	P49652	CHEMBL5720	P2Y purinoceptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY2_HUMAN	P41231	CHEMBL4398	Purinergic receptor P2Y2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY4_RAT	O35811	CHEMBL2124	Pyrimidinergic receptor P2Y4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE5A_HUMAN	O76074	CHEMBL1827	Phosphodiesterase 5A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGFRA_MOUSE	P26618	CHEMBL3466	Platelet-derived growth factor receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGFRB_MOUSE	P05622	CHEMBL2749	Platelet-derived growth factor receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_RAT	Q63921	CHEMBL4042	Cyclooxygenase-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_HUMAN	P35354	CHEMBL230	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_RAT	P35355	CHEMBL2977	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q862F3_BOVIN	Q862F3	CHEMBL4262	Tubulin alpha chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q862L2_BOVIN	Q862L2	CHEMBL3752	Tubulin alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q864F1_PIG	Q864F1	CHEMBL3634	Phosphodiesterase 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9BEG3_BOVIN	Q9BEG3	CHEMBL2980	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A11_RAT	P31647	CHEMBL3598	GABA transporter 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A12_RAT	P48056	CHEMBL5248	Betaine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A13_RAT	P31646	CHEMBL4889	GABA transporter 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A1_RAT	P23978	CHEMBL4054	GABA transporter 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_RAT	P31652	CHEMBL313	Serotonin transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_RAT	P68370	CHEMBL4139	Tubulin alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB1_HUMAN	Q9H4B7	CHEMBL1915	Tubulin beta-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB2B_BOVIN	Q6B856	CHEMBL3394	Tubulin beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TNFA_HUMAN	P01375	CHEMBL1825	TNF-alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPM8_HUMAN	Q7Z2W7	CHEMBL1075319	Transient receptor potential cation channel subfamily M member 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100405	Z100405	CHEMBL613835	MV4-11 (Myeloid leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100497	Z100497	CHEMBL612571	Bovine viral diarrhea virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100704	Z100704	CHEMBL613874	Lactuca sativa	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100715	Z100715	CHEMBL613822	Nippostrongylus brasiliensis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100741	Z100741	CHEMBL614867	MC9 (Mast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100811	Z100811	CHEMBL613845	Influenza A virus (H5N1)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101852	Z101852	CHEMBL612783	Influenza C virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101865	Z101865	CHEMBL612790	Leishmania chagasi	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101870	Z101870	CHEMBL612793	Leishmania guyanensis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101973	Z101973	CHEMBL613240	Paracentrotus lividus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102178	Z102178	CHEMBL613694	Liver microsomes	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102317	Z102317	CHEMBL613617	Brain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102342	Z102342	CHEMBL613642	Liver	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103176	Z103176	CHEMBL1075346	Entamoeba invadens	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50028	Z50028	CHEMBL347	Streptococcus pneumoniae	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50266	Z50266	CHEMBL357	Enterococcus faecium	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50324	Z50324	CHEMBL612710	Arabidopsis thaliana	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50335	Z50335	CHEMBL613061	Oryza sativa	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50380	Z50380	CHEMBL613088	Mycobacterium smegmatis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50457	Z50457	CHEMBL612877	Leishmania amazonensis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50458	Z50458	CHEMBL612878	Leishmania braziliensis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50460	Z50460	CHEMBL612879	Leishmania major	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50461	Z50461	CHEMBL612880	Leishmania mexicana	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50501	Z50501	CHEMBL613109	Gallus gallus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50518	Z50518	CHEMBL613124	Human herpesvirus 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50530	Z50530	CHEMBL371	Human herpesvirus 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50588	Z50588	CHEMBL373	Canis familiaris	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50606	Z50606	CHEMBL613497	Hepatitis B virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50624	Z50624	CHEMBL613715	Human adenovirus type 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50641	Z50641	CHEMBL613730	West Nile virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50651	Z50651	CHEMBL613739	Vesicular stomatitis virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50654	Z50654	CHEMBL612675	Junin virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50655	Z50655	CHEMBL613742	Pichinde virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50678	Z50678	CHEMBL612679	Respiratory syncytial virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80001	Z80001	CHEMBL614508	143B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80008	Z80008	CHEMBL612565	5637 (Epithelial bladder carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80025	Z80025	CHEMBL614519	ACHN (Renal adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80040	Z80040	CHEMBL614527	BHK-21 (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80054	Z80054	CHEMBL614058	Caco-2 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80063	Z80063	CHEMBL614027	CCRF S-180	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80079	Z80079	CHEMBL614549	CEM-V	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80099	Z80099	CHEMBL614561	COLO 205 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80101	Z80101	CHEMBL614562	COLO 320DM (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80118	Z80118	CHEMBL614284	Detroit 551	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80125	Z80125	CHEMBL613508	DU-145 (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80132	Z80132	CHEMBL614293	EL4 (Thymoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80135	Z80135	CHEMBL614296	F9	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80171	Z80171	CHEMBL614582	HuTu80	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80192	Z80192	CHEMBL614709	KM12 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80214	Z80214	CHEMBL614317	M14 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80227	Z80227	CHEMBL614324	MCF7-ADR (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80249	Z80249	CHEMBL614068	MDCK (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80269	Z80269	CHEMBL614354	MKN-45 (Gastric adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80291	Z80291	CHEMBL614181	MRC5 (Embryonic lung fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80354	Z80354	CHEMBL614213	OVCAR-3 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80356	Z80356	CHEMBL614214	OVCAR-5 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80357	Z80357	CHEMBL612555	OVCAR-8 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80364	Z80364	CHEMBL614218	P388/ADR (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80407	Z80407	CHEMBL614383	R1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80408	Z80408	CHEMBL614384	R1-CCRF-CEM (Lymphoblastic leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80410	Z80410	CHEMBL613523	R2-CCRF-CEM (Lymphoblastic leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80411	Z80411	CHEMBL614143	R30dm-CCRF-CEM (Lymphoblastic leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80427	Z80427	CHEMBL614879	RKO (Colon carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80433	Z80433	CHEMBL614882	RPMI-8226 (Multiple myeloma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80443	Z80443	CHEMBL612567	S180 (Sarcoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80455	Z80455	CHEMBL614899	SCC-15	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80457	Z80457	CHEMBL614901	SCC-25	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80459	Z80459	CHEMBL614147	SCC-7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80466	Z80466	CHEMBL614907	SF268	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80468	Z80468	CHEMBL614908	SF-295 (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80470	Z80470	CHEMBL614909	SGC-7901 (Gastric carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80473	Z80473	CHEMBL613527	SISO	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80488	Z80488	CHEMBL614922	SK-MEL-5 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80560	Z80560	CHEMBL615022	U-251 (Glioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80563	Z80563	CHEMBL615025	U-373 MG ( Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80565	Z80565	CHEMBL614247	U-87 MG (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80568	Z80568	CHEMBL612796	UACC-257 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80570	Z80570	CHEMBL614610	UACC-62 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80575	Z80575	CHEMBL614388	UO-31 (Renal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80589	Z80589	CHEMBL614391	WI-38 (Embryonic lung fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80640	Z80640	CHEMBL613102	786-0 (Renal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80657	Z80657	CHEMBL614255	A253 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80711	Z80711	CHEMBL613829	NCI/ADR-RES (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80752	Z80752	CHEMBL614380	carcinoma cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80789	Z80789	CHEMBL614463	Colon 38	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80800	Z80800	CHEMBL614725	MIA PaCa-2 (Pancreatic carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80815	Z80815	CHEMBL612247	D54 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80823	Z80823	CHEMBL614149	E6SM (Embryonic skin-muscle fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80830	Z80830	CHEMBL614641	Ehrlich (Ehrlich ascites carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80847	Z80847	CHEMBL612250	FaDu (Pharyngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80852	Z80852	CHEMBL614069	A-431 (Epidermoid carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80862	Z80862	CHEMBL614157	GC3/MTK- cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80870	Z80870	CHEMBL614505	GM892A cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80890	Z80890	CHEMBL614160	H350.3 (MTX-resistant Reuber hepatoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80893	Z80893	CHEMBL614784	H35 (Reuber hepatoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80897	Z80897	CHEMBL614806	H9 (T-lymphoid cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80920	Z80920	CHEMBL613855	HCC 2998 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80945	Z80945	CHEMBL614735	HEp-2 (Laryngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81000	Z81000	CHEMBL614316	HT-22 (Hippocampal cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81017	Z81017	CHEMBL614647	WiDr (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81065	Z81065	CHEMBL613984	IGROV-1 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81133	Z81133	CHEMBL614000	L1210 (1565)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81184	Z81184	CHEMBL614096	LOX IMVI (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81187	Z81187	CHEMBL614098	LT12 tumor cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81217	Z81217	CHEMBL614018	LY3.7.2C TK-/- cell lines	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81245	Z81245	CHEMBL614697	MDA-MB-435 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81281	Z81281	CHEMBL614997	NCI-H23 (Non-small cell lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81283	Z81283	CHEMBL614387	NCI-H522 (Non-small cell lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81322	Z81322	CHEMBL614860	SF-539 (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81325	Z81325	CHEMBL614300	SR (Leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase