TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T13201	Carbonic anhydrase I	D02PJA	Hydriodic acid iodine-125	Approved	24841	HI	127.912	I	Ki = 300000 nM	Non binder
T13201	Carbonic anhydrase I	D02URS	Potassium iodide	Approved	4875	IK	166.003	[K+].[I-]	Ki = 300000 nM	Non binder
T13201	Carbonic anhydrase I	D07AAN	Sodium Iodide I-123	Approved	5238	INa	149.894	[Na+].[I-]	Ki = 300000 nM	Non binder
T13201	Carbonic anhydrase I	D0C8FX	Pyrithione Zinc	Approved	3005837	C10H8N2O2S2Zn	317.7	C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Zn+2]	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	D0SC6I	Sodium benzoate	Phase 2/3	517055	C7H5NaO2	144.1	C1=CC=C(C=C1)C(=O)[O-].[Na+]	Ki = 730000 nM	Non binder
T13201	Carbonic anhydrase I	D0I7IB	Sodium butyrate	Phase 2	5222465	C4H7NaO2	110.09	CCCC(=O)[O-].[Na+]	Ki = 511000 nM	Non binder
T13201	Carbonic anhydrase I	D0W1SL	BUTYLATEDHYDROXYTOLUENE	Phase 1	31404	C15H24O	220.35	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C	Ki = 245200 nM	Non binder
T13201	Carbonic anhydrase I	D0LD9S	SPERMINE	Terminated	1103	C10H26N4	202.34	C(CCNCCCN)CNCCCN	Ki = 231000 nM	Non binder
T13201	Carbonic anhydrase I	B05AXZ	Sodium diethyldithiocarbamate	Investigative	533728	C5H10NNaS2	171.3	CCN(CC)C(=S)[S-].[Na+]	Ki = 790000 nM	Non binder
T13201	Carbonic anhydrase I	B0CS2P	Metasilicic acid	Investigative	14768	H2O3Si	78.099	O[Si](=O)O	Ki = 570000 nM	Non binder
T13201	Carbonic anhydrase I	B0TE9S	Sulfamic acid but-3-ynyl ester	Investigative	11217340	C4H7NO3S	149.17	C#CCCOS(=O)(=O)N	Ki = 990000 nM	Non binder
T13201	Carbonic anhydrase I	B19UHR	1,3-Dimethyluracil	Investigative	70122	C6H8N2O2	140.14	CN1C=CC(=O)N(C1=O)C	Ki = 316200 nM	Non binder
T13201	Carbonic anhydrase I	B1EMQ7	2-(Aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nitrophenyl)benzenecarbohydrazonothioate	Investigative	9572721	C20H17ClN4O4S2	477	CC1=CC(=C(C=C1Cl)S/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3)S(=O)(=O)N	Ki = 379000 nM	Non binder
T13201	Carbonic anhydrase I	B1ZX6I	N-[2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-2-(benzoylamino)benzamide	Investigative	132495363	C24H15F3N2O4	452.4	C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	B2DM6V	6-(Isobutylthio)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide	Investigative	44416241	C11H17N3O4S3	351.5	CC(C)CSC1=C(C=C2C(=C1)NCNS2(=O)=O)S(=O)(=O)N	Ki = 392000 nM	Non binder
T13201	Carbonic anhydrase I	B2MK1G	Di-tert-butylethane-1,2-diylbis(2-(2,2,2-trifluoroacetamido)ethylcarbamate	Investigative	12066940	C20H32F6N4O6	538.5	CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	B2P7AR	5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-p-tolyl-4H-[1,2,4]triazole-3-thiol	Investigative	44402062	C21H16BrN3O2S2	486.4	CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br	Ki = 249000 nM	Non binder
T13201	Carbonic anhydrase I	B2RG5L	N-(N-Boc-sulfamoyl)glycine Methyl Ester	Investigative	44590306	C8H16N2O6S	268.29	CC(C)(C)OC(=O)NS(=O)(=O)NCC(=O)OC	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	B35NTD	N,N'-Dicyclopropylsulfuric diamide	Investigative	44424362	C6H12N2O2S	176.24	C1CC1NS(=O)(=O)NC2CC2	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	B39NQA	2-Hydroxy-6-(hydroxymethyl)-8-methoxy-9-oxo-xanthene-1-carboxylic Acid	Investigative	11278507	C16H12O7	316.26	COC1=CC(=CC2=C1C(=O)C3=C(O2)C=CC(=C3C(=O)O)O)CO	Ki = 374000 nM	Non binder
T13201	Carbonic anhydrase I	B39XFE	But-3-enyl sulfamate	Investigative	11788388	C4H9NO3S	151.19	C=CCCOS(=O)(=O)N	Ki = 800000 nM	Non binder
T13201	Carbonic anhydrase I	B3CF2B	Methyl 3-(Butylsulfamoylamino)Propanoate	Investigative	25258363	C8H18N2O4S	238.31	CCCCNS(=O)(=O)NCCC(=O)OC	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	B3P4BQ	2-Hydroxy-5-sulfobenzoic acid	Investigative	7322	C7H6O6S	218.19	C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O	IC50 = 420000 nM	Non binder
T13201	Carbonic anhydrase I	B3SNF6	3-(4-(4-Chlorophenylsulfonyl)phenyl)-4-propyl-1H-1,2,4-triazole-5(4H)-thione	Investigative	42644449	C17H16ClN3O2S2	393.9	CCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl	Ki = 548000 nM	Non binder
T13201	Carbonic anhydrase I	B4KSH5	4-[2-(2,4,6-Triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide;perchlorate	Investigative	10698664	C31H27ClN2O6S	591.1	C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O	Ki = 270000 nM	Non binder
T13201	Carbonic anhydrase I	B4MYV1	N,N'-Dibenzylsulfamide	Investigative	1488548	C14H16N2O2S	276.36	C1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	B4TU6Y	2,3,4,5,6-Pentafluoro-N-(5-mercapto-[1,3,4]thiadiazol-2-yl)-benzamide	Investigative	44401975	C9H2F5N3OS2	327.3	C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)NC2=NNC(=S)S2	Ki = 308000 nM	Non binder
T13201	Carbonic anhydrase I	B4WC7V	4-(2,4,6-Triphenylpyridin-1-ium-1-yl)benzenesulfonamide;perchlorate	Investigative	10721639	C29H23ClN2O6S	563	C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O	Ki = 290000 nM	Non binder
T13201	Carbonic anhydrase I	B4Z5UO	2-Hydroxy-8-methoxy-6-methyl-9-oxo-xanthene-1-carboxylic Acid	Investigative	11438030	C16H12O6	300.26	CC1=CC2=C(C(=C1)OC)C(=O)C3=C(O2)C=CC(=C3C(=O)O)O	Ki = 201000 nM	Non binder
T13201	Carbonic anhydrase I	B51YIE	4-Morpholinosulfonylmorpholine	Investigative	219987	C8H16N2O4S	236.29	C1COCCN1S(=O)(=O)N2CCOCC2	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	B53CUH	1,1,4,7,10,10-Hexamethyltriethylenetetramine	Investigative	76509	C12H30N4	230.39	CN(C)CCN(C)CCN(C)CCN(C)C	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	B53ITL	3-Chloro-4-hydroxyphenylacetic acid	Investigative	118534	C8H7ClO3	186.59	C1=CC(=C(C=C1CC(=O)O)Cl)O	Ki = 265000 nM	Non binder
T13201	Carbonic anhydrase I	B54BNM	Sodium 2-ethylhexanoate	Investigative	23672331	C8H15NaO2	166.19	CCCCC(CC)C(=O)[O-].[Na+]	Ki = 450000 nM	Non binder
T13201	Carbonic anhydrase I	B5LGO2	2-Ethylhexanoic acid	Investigative	8697	C8H16O2	144.21	CCCCC(CC)C(=O)O	Ki = 450000 nM	Non binder
T13201	Carbonic anhydrase I	B5RA7J	4-[2-(2-Butyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide;perchlorate	Investigative	10531119	C29H31ClN2O6S	571.1	CCCCC1=[N+](C(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N.[O-]Cl(=O)(=O)=O	Ki = 290000 nM	Non binder
T13201	Carbonic anhydrase I	B6E1XO	Di-tert-butylpropane-1,3-diylbis(2-(2,2,2-trifluoroacetamido)-ethylcarbamate	Investigative	12066941	C21H34F6N4O6	552.5	CC(C)(C)OC(=O)N(CCCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCNC(=O)C(F)(F)F	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	B6JEQ4	1-Mesyl-5-bromouracil	Investigative	11482579	C5H5BrN2O4S	269.08	CS(=O)(=O)N1C=C(C(=O)NC1=O)Br	Ki = 428000 nM	Non binder
T13201	Carbonic anhydrase I	B6LMB2	3,3,3-Trifluoro-2,2-dihydroxy-1-p-tolylpropan-1-one	Investigative	2809317	C10H9F3O3	234.17	CC1=CC=C(C=C1)C(=O)C(C(F)(F)F)(O)O	Ki = 410000 nM	Non binder
T13201	Carbonic anhydrase I	B71NEW	N,N,N',N'-Tetrabutylsulfamide	Investigative	44424364	C16H36N2O2S	320.5	CCCCN(CCCC)S(=O)(=O)N(CCCC)CCCC	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	B7A2BM	4-[(2,6-Diphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide;perchlorate	Investigative	10696743	C24H21ClN2O6S	501	C1=CC=C(C=C1)C2=[N+](C(=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N.[O-]Cl(=O)(=O)=O	Ki = 280000 nM	Non binder
T13201	Carbonic anhydrase I	B7LJ2S	7-Pent-4-ynoxychromene-2-thione	Investigative	90180909	C14H12O2S	244.31	C#CCCCOC1=CC2=C(C=C1)C=CC(=S)O2	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	B7OHR2	(-)-Dihydroguaiaretic acid	Investigative	11602375	C20H26O4	330.4	C[C@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)CC2=CC(=C(C=C2)O)OC	Ki = 307000 nM	Non binder
T13201	Carbonic anhydrase I	B8B7AS	Imidodisulfuric acid	Investigative	162152	H3NO6S2	177.16	N(S(=O)(=O)O)S(=O)(=O)O	Ki = 310000 nM	Non binder
T13201	Carbonic anhydrase I	B8DR6Z	(-)-Xylariamide A	Investigative	11290362	C14H14ClNO6	327.71	COC(=O)/C=C/C(=O)N[C@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O	Ki = 239000 nM	Non binder
T13201	Carbonic anhydrase I	B8J1KR	2-[(4-Fluorobenzoyl)amino]-N-(4-methyl-2-oxochromen-7-yl)benzamide	Investigative	134154625	C24H17FN2O4	416.4	CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)F	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	B8U7FQ	Perchloric acid	Investigative	24247	ClHO4	100.46	OCl(=O)(=O)=O	Ki = 690000 nM	Non binder
T13201	Carbonic anhydrase I	B9PUL1	(2S)-2-[[(Tert-Butyloxycarbonyl)sulfamoyl]amino]propionic acid methyl ester	Investigative	15014351	C9H18N2O6S	282.32	C[C@@H](C(=O)OC)NS(=O)(=O)NC(=O)OC(C)(C)C	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	B9RM6K	Endiandrin B	Investigative	25242508	C20H24O4	328.4	C[C@@H]1[C@@H]([C@H]([C@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C	Ki = 354000 nM	Non binder
T13201	Carbonic anhydrase I	B9Y7DE	Unii-BS0VY94Q43	Investigative	9888897	C18H24ClN3O5S	429.9	CC(C)[C@H](C(=O)NO)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC.Cl	Ki = 281000 nM	Non binder
T13201	Carbonic anhydrase I	BA6WL5	7-(1-Phenyl-1H-1,2,3-triazole-4-ylmethoxy)-2H-1-benzopyran-2-one	Investigative	88314336	C18H13N3O3	319.3	C1=CC=C(C=C1)N2C=C(N=N2)COC3=CC4=C(C=C3)C=CC(=O)O4	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	BAE07S	7-(Prop-2-ynyloxy)-2H-chromen-2-thione	Investigative	57387395	C12H8O2S	216.26	C#CCOC1=CC2=C(C=C1)C=CC(=S)O2	Ki = 950000 nM	Non binder
T13201	Carbonic anhydrase I	BB25JQ	Sodium 4-Ethyloctanoate	Investigative	54581017	C10H19NaO2	194.25	CCCCC(CC)CCC(=O)[O-].[Na+]	Ki = 380000 nM	Non binder
T13201	Carbonic anhydrase I	BB38GO	5-(4-Benzenesulfonyl-phenyl)-4-butyl-4H-[1,2,4]triazole-3-thiol	Investigative	10926842	C18H19N3O2S2	373.5	CCCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3	Ki = 415000 nM	Non binder
T13201	Carbonic anhydrase I	BB3C2K	N-(p-Toluenesulfonyl)-L-phenylalanine	Investigative	99327	C16H17NO4S	319.4	CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O	Ki = 315000 nM	Non binder
T13201	Carbonic anhydrase I	BBJ73H	Benzenesulfonamide, 2-(phenylethynyl)-	Investigative	56677156	C14H11NO2S	257.31	C1=CC=C(C=C1)C#CC2=CC=CC=C2S(=O)(=O)N	Ki = 806000 nM	Non binder
T13201	Carbonic anhydrase I	BC29YW	Fluorosulfonic acid	Investigative	24603	FHO3S	100.07	OS(=O)(=O)F	Ki = 790000 nM	Non binder
T13201	Carbonic anhydrase I	BCL43W	Sodium isovalerate	Investigative	23673832	C5H9NaO2	124.11	CC(C)CC(=O)[O-].[Na+]	Ki = 300000 nM	Non binder
T13201	Carbonic anhydrase I	BCT5Y2	Sodium argentous cyanide	Investigative	167985	C2AgN2Na	182.89	[C-]#N.[C-]#N.[Na+].[Ag+]	Ki = 500000 nM	Non binder
T13201	Carbonic anhydrase I	BD6FQ0	Polyandrocarpamine B	Investigative	135495066	C10H9N3O3	219.2	C1=CC(=C(C=C1/C=C\\2/C(=O)NC(=N2)N)O)O	Ki = 355000 nM	Non binder
T13201	Carbonic anhydrase I	BDC13X	2-[(4-Chlorobenzoyl)amino]-N-(4-methyl-2-oxochromen-7-yl)benzamide	Investigative	134152281	C24H17ClN2O4	432.9	CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Cl	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BDG7U3	2-[(4-Chlorobenzoyl)amino]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]benzamide	Investigative	134155483	C24H14ClF3N2O4	486.8	C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)NC(=O)C4=CC=C(C=C4)Cl	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BDZI01	4-(3-Sulfamoylpyridin-4-yl)oxypyridine-3-sulfonamide	Investigative	54768699	C10H10N4O5S2	330.3	C1=CN=CC(=C1OC2=C(C=NC=C2)S(=O)(=O)N)S(=O)(=O)N	Ki = 251000 nM	Non binder
T13201	Carbonic anhydrase I	BE71JG	Chloric acid	Investigative	19654	ClHO3	84.46	OCl(=O)=O	Ki = 540000 nM	Non binder
T13201	Carbonic anhydrase I	BE9V5K	4-Hydroxyphenylacetamide	Investigative	86986	C8H9NO2	151.16	C1=CC(=CC=C1CC(=O)N)O	Ki = 309000 nM	Non binder
T13201	Carbonic anhydrase I	BF4J6W	1-(2-Sulfamoylhydrazinocarbonyl)-1-O,2-O:3-O,5-O-diisopropylidene-alpha-L-xylofuranose	Investigative	44380428	C12H21N3O8S	367.38	CC1(OC[C@H]2[C@@H](O1)[C@H]3[C@@](O2)(OC(O3)(C)C)C(=O)NNS(=O)(=O)N)C	Ki = 420000 nM	Non binder
T13201	Carbonic anhydrase I	BFT8I4	N-[2-(Naphthalen-1-ylamino)ethyl]acetamide	Investigative	2900806	C14H16N2O	228.29	CC(=O)NCCNC1=CC=CC2=CC=CC=C21	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BH25CN	2-(Aminosulfonyl)-5-chloro-4-methylphenyl-N-(4-nitrophenyl)propanehydrazonothioate	Investigative	44416203	C16H17ClN4O4S2	428.9	CC/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/SC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N	Ki = 220000 nM	Non binder
T13201	Carbonic anhydrase I	BI19WO	2-(3-Chloro-4-hydroxyphenyl)acetamide	Investigative	15038375	C8H8ClNO2	185.61	C1=CC(=C(C=C1CC(=O)N)Cl)O	Ki = 237000 nM	Non binder
T13201	Carbonic anhydrase I	BI28NU	Sodium 4-Methylhexanoate	Investigative	54582050	C7H13NaO2	152.17	CCC(C)CCC(=O)[O-].[Na+]	Ki = 420000 nM	Non binder
T13201	Carbonic anhydrase I	BI6H1R	2,4-Dihydroxy-6-nitroquinazoline	Investigative	816982	C8H5N3O4	207.14	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=O)N2	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BIU4M5	1-Acetyl-5-bromopyrimidine-2,4-dione	Investigative	122185233	C6H5BrN2O3	233.02	CC(=O)N1C=C(C(=O)NC1=O)Br	Ki = 464000 nM	Non binder
T13201	Carbonic anhydrase I	BIYO50	N,N'-Sulfonyl Bis-L-alanine Dimethyl Ester	Investigative	18710120	C8H16N2O6S	268.29	C[C@@H](C(=O)OC)NS(=O)(=O)N[C@@H](C)C(=O)OC	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	BJ7XW3	Ethyl 6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylate	Investigative	10586607	C13H12O5	248.23	CCOC(=O)C1=CC2=C(C=CC(=C2)CO)OC1=O	Ki = 213000 nM	Non binder
T13201	Carbonic anhydrase I	BJBR14	4-(2-Butyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide;perchlorate	Investigative	10792606	C27H27ClN2O6S	543	CCCCC1=[N+](C(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N.[O-]Cl(=O)(=O)=O	Ki = 305000 nM	Non binder
T13201	Carbonic anhydrase I	BJIA62	3-Iodo-4-trifluoromethanesulfonylamino-benzenesulfonamide	Investigative	10693904	C7H6F3IN2O4S2	430.2	C1=CC(=C(C=C1S(=O)(=O)N)I)NS(=O)(=O)C(F)(F)F	Ki = 210000 nM	Non binder
T13201	Carbonic anhydrase I	BJO4Q6	7-[(1-Phenyl-1H-1,2,3-triazol-4-yl)methoxy]-2H-chromene-2-thione	Investigative	86719933	C18H13N3O2S	335.4	C1=CC=C(C=C1)N2C=C(N=N2)COC3=CC4=C(C=C3)C=CC(=S)O4	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	BL1S0J	1-O,2-O:3-O,4-O-Diisopropylidene-6-O-sulfamoyl-alpha-L-galactopyranose	Investigative	44381090	C12H21NO8S	339.36	CC1(O[C@@H]2[C@@H](O[C@@H]3[C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C	Ki = 400000 nM	Non binder
T13201	Carbonic anhydrase I	BM35ZE	2-Phenyl-N-(2-phenylethylsulfamoyl)ethanamine	Investigative	14787919	C16H20N2O2S	304.4	C1=CC=C(C=C1)CCNS(=O)(=O)NCCC2=CC=CC=C2	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	BM8C1W	Tetraborsaure	Investigative	4321567	B4H2O7	157.3	B(=O)OB(O)OB(O)OB=O	Ki = 640000 nM	Non binder
T13201	Carbonic anhydrase I	BM8Z9E	Methyl 3-[(3-methoxy-3-oxopropyl)sulfamoylamino]propanoate	Investigative	25258360	C8H16N2O6S	268.29	COC(=O)CCNS(=O)(=O)NCCC(=O)OC	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	BMLK20	2-(P-Tolylethynyl)Benzenesulfonamide	Investigative	56670317	C15H13NO2S	271.3	CC1=CC=C(C=C1)C#CC2=CC=CC=C2S(=O)(=O)N	Ki = 674000 nM	Non binder
T13201	Carbonic anhydrase I	BMX78T	Sodium 2-Methylvalerate	Investigative	23673162	C6H11NaO2	138.14	CCCC(C)C(=O)[O-].[Na+]	Ki = 310000 nM	Non binder
T13201	Carbonic anhydrase I	BN3B0O	Sodium 2-Methylhexanoate	Investigative	23703293	C7H13NaO2	152.17	CCCCC(C)C(=O)[O-].[Na+]	Ki = 380000 nM	Non binder
T13201	Carbonic anhydrase I	BO42CG	Diethyldithiocarbamic acid	Investigative	8987	C5H11NS2	149.3	CCN(CC)C(=S)S	Ki = 790000 nM	Non binder
T13201	Carbonic anhydrase I	BOB1D5	2-Benzamido-N-(4-methyl-2-oxochromen-7-yl)benzamide	Investigative	134141819	C24H18N2O4	398.4	CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BOB23T	4-Hydroxyquinazoline	Investigative	135408753	C8H6N2O	146.15	C1=CC=C2C(=C1)C(=O)NC=N2	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BPFA62	6-[(1,1-Dioxo-7-sulfamoyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-6-yl)disulfanyl]-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide	Investigative	44416256	C14H16N6O8S6	588.7	C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)SSC3=C(C=C4C(=C3)NCNS4(=O)=O)S(=O)(=O)N	Ki = 310000 nM	Non binder
T13201	Carbonic anhydrase I	BPV1B8	4-Butyl-5-[4-(4-chloro-benzenesulfonyl)-phenyl]-4H-[1,2,4]triazole-3-thiol	Investigative	11112315	C18H18ClN3O2S2	407.9	CCCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl	Ki = 273000 nM	Non binder
T13201	Carbonic anhydrase I	BQ70UH	1-[(E)-(2-Nitrophenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea	Investigative	44435853	C10H8N6O3S2	324.3	C1=CC=C(C(=C1)/C=N/NC(=O)NC2=NNC(=S)S2)[N+](=O)[O-]	Ki = 222820 nM	Non binder
T13201	Carbonic anhydrase I	BRMA78	Dioxido(oxo)tin	Investigative	25502	O3Sn-2	166.71	[O-][Sn](=O)[O-]	Ki = 570000 nM	Non binder
T13201	Carbonic anhydrase I	BS4MB5	4-[(2-Butyl-4,6-diphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide;perchlorate	Investigative	10745371	C28H29ClN2O6S	557.1	CCCCC1=[N+](C(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N.[O-]Cl(=O)(=O)=O	Ki = 300000 nM	Non binder
T13201	Carbonic anhydrase I	BSE69A	4-[(2,4,6-Triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide;perchlorate	Investigative	11721174	C30H25ClN2O6S	577	C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O	Ki = 280000 nM	Non binder
T13201	Carbonic anhydrase I	BTN45D	N,N'-Sulfonyl Bis-L-valine Dimethyl Ester	Investigative	12051191	C12H24N2O6S	324.4	CC(C)[C@@H](C(=O)OC)NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC	Ki > 200000 nM	Non binder
T13201	Carbonic anhydrase I	BTZ69Y	Oxido(dioxo)vanadium	Investigative	26218	O3V-	98.94	[O-][V](=O)=O	Ki = 540000 nM	Non binder
T13201	Carbonic anhydrase I	BUW28P	Sodium pyrovanadate(V)	Investigative	4608376	O7V2-4	213.88	[O-][V](=O)([O-])O[V](=O)([O-])[O-]	Ki = 540000 nM	Non binder
T13201	Carbonic anhydrase I	BUX4P0	3-Chloro-N-[(2e)-4-Methoxy-4-Oxobut-2-Enoyl]-L-Tyrosine	Investigative	11738933	C14H14ClNO6	327.71	COC(=O)/C=C/C(=O)N[C@@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O	Ki = 231000 nM	Non binder
T13201	Carbonic anhydrase I	BUZ9G2	1,2,5-Tribromo-3,4-dimethoxybenzene	Investigative	57399336	C8H7Br3O2	374.85	COC1=C(C(=C(C=C1Br)Br)Br)OC	Ki = 292109 nM	Non binder
T13201	Carbonic anhydrase I	BV0I2K	N1,N12-Bis(trifluoroacetyl)-N4,N8-bis(t-butoxycarbonyl)spermine	Investigative	389641	C24H40F6N4O6	594.6	CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BVLY80	(Dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium	Investigative	5462815	H4O7V2	217.91	O[V](=O)(O)O[V](=O)(O)O	Ki = 540000 nM	Non binder
T13201	Carbonic anhydrase I	BVP1X2	2-((3-Fluorophenyl)Ethynyl)Benzenesulfonamide	Investigative	53483958	C14H10FNO2S	275.3	C1=CC=C(C(=C1)C#CC2=CC(=CC=C2)F)S(=O)(=O)N	Ki = 416000 nM	Non binder
T13201	Carbonic anhydrase I	BW59DO	4-[2-(2,6-Diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide;perchlorate	Investigative	10625651	C25H23ClN2O6S	515	C1=CC=C(C=C1)C2=[N+](C(=CC=C2)C3=CC=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N.[O-]Cl(=O)(=O)=O	Ki = 265000 nM	Non binder
T13201	Carbonic anhydrase I	BW5MQ6	4-Hydroxyphenylacetic acid	Investigative	127	C8H8O3	152.15	C1=CC(=CC=C1CC(=O)O)O	Ki = 309000 nM	Non binder
T13201	Carbonic anhydrase I	BWOR72	5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-m-tolyl-4H-[1,2,4]triazole-3-thiol	Investigative	44401926	C21H16BrN3O2S2	486.4	CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br	Ki = 254000 nM	Non binder
T13201	Carbonic anhydrase I	BX0U3S	2-[(4-Fluorobenzoyl)amino]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]benzamide	Investigative	134133137	C24H14F4N2O4	470.4	C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)NC(=O)C4=CC=C(C=C4)F	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BX0Y9J	3-(4-(4-Bromophenylsulfonyl)phenyl)-4-propyl-1H-1,2,4-triazole-5(4H)-thione	Investigative	42644450	C17H16BrN3O2S2	438.4	CCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br	Ki = 508000 nM	Non binder
T13201	Carbonic anhydrase I	BX5QZ6	Tetrachloroplatinate(2-)	Investigative	61441	Cl4Pt-2	336.9	Cl[Pt-2](Cl)(Cl)Cl	Ki = 370000 nM	Non binder
T13201	Carbonic anhydrase I	BXE10F	5-(4-Benzenesulfonyl-phenyl)-4-propyl-4H-[1,2,4]triazole-3-thiol	Investigative	42643988	C17H17N3O2S2	359.5	CCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3	Ki = 290000 nM	Non binder
T13201	Carbonic anhydrase I	BXZY81	Sulfamic acid isopropyl ester	Investigative	10290835	C3H9NO3S	139.18	CC(C)OS(=O)(=O)N	Ki = 690000 nM	Non binder
T13201	Carbonic anhydrase I	BY1A4M	Dihydroxidodioxidotellurium	Investigative	61609	H2O4Te	193.6	O[Te](=O)(=O)O	Ki = 660000 nM	Non binder
T13201	Carbonic anhydrase I	BY4X6B	4-Sulfosalicylic acid	Investigative	164000	C7H6O6S	218.19	C1=CC(=C(C=C1S(=O)(=O)O)O)C(=O)O	IC50 = 290000 nM	Non binder
T13201	Carbonic anhydrase I	BY6D7P	2-(4-Hydroxyphenyl)ethanol	Investigative	10393	C8H10O2	138.16	C1=CC(=CC=C1CCO)O	Ki = 430000 nM	Non binder
T13201	Carbonic anhydrase I	BYC75Q	4-[(3,4-Dimethoxyphenyl)methyl]-1,2-dimethoxybenzene	Investigative	284045	C17H20O4	288.34	COC1=C(C=C(C=C1)CC2=CC(=C(C=C2)OC)OC)OC	Ki = 537311 nM	Non binder
T13201	Carbonic anhydrase I	BZ18TA	N1,N2-(2-(2,2,2-Trifluoroacetamido)ethyl)ethane-1,2-diaminium Trifluoroacetate	Investigative	15938557	C10H16F6N4O2	338.25	C(CNCCNC(=O)C(F)(F)F)NCCNC(=O)C(F)(F)F	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	BZ7TQ6	N-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-2-nitro-benzenesulfonamide	Investigative	44401951	C8H6N4O4S3	318.4	C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NNC(=S)S2	Ki = 303000 nM	Non binder
T13201	Carbonic anhydrase I	D00TRF	2-(benzyloxyamino)-N-hydroxyacetamide	Investigative	44423683	C9H12N2O3	196.2	C1=CC=C(C=C1)CONCC(=O)NO	Ki = 490000 nM	Non binder
T13201	Carbonic anhydrase I	D02DBP	RESORCINOL	Investigative	5054	C6H6O2	110.11	C1=CC(=CC(=C1)O)O	Ki = 795000 nM	Non binder
T13201	Carbonic anhydrase I	D06MZK	2,6-di-t-butylphenol	Investigative	31405	C14H22O	206.32	CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O	Ki = 274500 nM	Non binder
T13201	Carbonic anhydrase I	D06XVV	BENZOYLENUREA	Investigative	64048	C8H6N2O2	162.15	C1=CC=C2C(=C1)C(=O)NC(=O)N2	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	D07TAJ	Ethyl 7-methoxy-2-oxo-2H-chromene-3-carboxylate	Investigative	914298	C13H12O5	248.23	CCOC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O	Ki = 224000 nM	Non binder
T13201	Carbonic anhydrase I	D07VXX	2-(benzyloxyamino)-N-hydroxy-3-methylpentanamide	Investigative	16721024	C13H20N2O3	252.31	CCC(C)C(C(=O)NO)NOCC1=CC=CC=C1	Ki = 435000 nM	Non binder
T13201	Carbonic anhydrase I	D09FQL	ENDIANDRIN A	Investigative	16756780	C20H24O4	328.4	C[C@H]1[C@@H]([C@H]([C@@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C	Ki = 368000 nM	Non binder
T13201	Carbonic anhydrase I	D09WVV	N1-(2-aminoethyl)ethane-1,2-diamine	Investigative	8111	C4H13N3	103.17	C(CNCCN)N	Ki = 415000 nM	Non binder
T13201	Carbonic anhydrase I	D0L5TZ	6-(hydroxymethyl)-2H-chromen-2-one	Investigative	20195365	C10H8O3	176.17	C1=CC2=C(C=CC(=O)O2)C=C1CO	Ki = 243000 nM	Non binder
T13201	Carbonic anhydrase I	D0L8ZG	P-tolylboronic acid	Investigative	79799	C7H9BO2	135.96	B(C1=CC=C(C=C1)C)(O)O	Ki = 278000 nM	Non binder
T13201	Carbonic anhydrase I	D0X5HL	N1-(naphthalen-1-yl)ethane-1,2-diamine	Investigative	15107	C12H14N2	186.25	C1=CC=C2C(=C1)C=CC=C2NCCN	Ki > 500000 nM	Non binder
T13201	Carbonic anhydrase I	D0Y1XM	2-(benzyloxyamino)-N-hydroxyhexanamide	Investigative	44423686	C13H20N2O3	252.31	CCCCC(C(=O)NO)NOCC1=CC=CC=C1	Ki = 520000 nM	Non binder