id	sid	tid	token	lemma	pos
bjp-84324	1	1	bangladesh	bangladesh	PROPN
bjp-84324	1	2	journal	journal	PROPN
bjp-84324	1	3	of	of	ADP
bjp-84324	1	4	pharmacology	pharmacology	NOUN
bjp-84324	1	5	research	research	NOUN
bjp-84324	1	6	article	article	NOUN
bjp-84324	1	7	studies	study	NOUN
bjp-84324	1	8	on	on	ADP
bjp-84324	1	9	racemic	racemic	ADJ
bjp-84324	1	10	triglycerides	triglyceride	NOUN
bjp-84324	1	11	as	as	SCONJ
bjp-84324	1	12	urease	urease	VERB
bjp-84324	1	13	enzyme	enzyme	NOUN
bjp-84324	1	14	inhibitors	inhibitor	NOUN
bjp-84324	1	15	bjp	bjp	NOUN
bjp-84324	1	16	introduction	introduction	NOUN
bjp-84324	1	17	triglycerides	triglyceride	NOUN
bjp-84324	1	18	of	of	ADP
bjp-84324	1	19	fatty	fatty	ADJ
bjp-84324	1	20	acids	acid	NOUN
bjp-84324	1	21	,	,	PUNCT
bjp-84324	1	22	are	be	AUX
bjp-84324	1	23	fundamental	fundamental	ADJ
bjp-84324	1	24	components	component	NOUN
bjp-84324	1	25	of	of	ADP
bjp-84324	1	26	oils	oil	NOUN
bjp-84324	1	27	,	,	PUNCT
bjp-84324	1	28	fats	fat	NOUN
bjp-84324	1	29	,	,	PUNCT
bjp-84324	1	30	and	and	CCONJ
bjp-84324	1	31	lipids	lipid	NOUN
bjp-84324	1	32	in	in	ADP
bjp-84324	1	33	humans	human	NOUN
bjp-84324	1	34	,	,	PUNCT
bjp-84324	1	35	animals	animal	NOUN
bjp-84324	1	36	,	,	PUNCT
bjp-84324	1	37	and	and	CCONJ
bjp-84324	1	38	plants	plant	NOUN
bjp-84324	1	39	.	.	PUNCT
bjp-84324	2	1	they	they	PRON
bjp-84324	2	2	are	be	AUX
bjp-84324	2	3	inexpensive	inexpensive	ADJ
bjp-84324	2	4	and	and	CCONJ
bjp-84324	2	5	abundant	abundant	ADJ
bjp-84324	2	6	making	make	VERB
bjp-84324	2	7	them	they	PRON
bjp-84324	2	8	ideal	ideal	ADJ
bjp-84324	2	9	candidates	candidate	NOUN
bjp-84324	2	10	for	for	ADP
bjp-84324	2	11	structural	structural	ADJ
bjp-84324	2	12	modification	modification	NOUN
bjp-84324	2	13	and	and	CCONJ
bjp-84324	2	14	diverse	diverse	ADJ
bjp-84324	2	15	applications	application	NOUN
bjp-84324	2	16	.	.	PUNCT
bjp-84324	3	1	the	the	DET
bjp-84324	3	2	aliphatic	aliphatic	ADJ
bjp-84324	3	3	polyol	polyol	NOUN
bjp-84324	3	4	backbone	backbone	NOUN
bjp-84324	3	5	of	of	ADP
bjp-84324	3	6	glycerol	glycerol	NOUN
bjp-84324	3	7	with	with	ADP
bjp-84324	3	8	three	three	NUM
bjp-84324	3	9	-oh	-oh	NOUN
bjp-84324	3	10	groups	group	NOUN
bjp-84324	3	11	containing	contain	VERB
bjp-84324	3	12	backbone	backbone	NOUN
bjp-84324	3	13	,	,	PUNCT
bjp-84324	3	14	allows	allow	VERB
bjp-84324	3	15	synthetic	synthetic	ADJ
bjp-84324	3	16	utility	utility	NOUN
bjp-84324	3	17	for	for	ADP
bjp-84324	3	18	designing	design	VERB
bjp-84324	3	19	scaffolds	scaffold	NOUN
bjp-84324	3	20	for	for	ADP
bjp-84324	3	21	drug	drug	NOUN
bjp-84324	3	22	development	development	NOUN
bjp-84324	3	23	.	.	PUNCT
bjp-84324	4	1	similarly	similarly	ADV
bjp-84324	4	2	,	,	PUNCT
bjp-84324	4	3	benzoic	benzoic	ADJ
bjp-84324	4	4	acid	acid	NOUN
bjp-84324	4	5	and	and	CCONJ
bjp-84324	4	6	its	its	PRON
bjp-84324	4	7	derivatives	derivative	NOUN
bjp-84324	4	8	,	,	PUNCT
bjp-84324	4	9	commonly	commonly	ADV
bjp-84324	4	10	found	find	VERB
bjp-84324	4	11	as	as	ADP
bjp-84324	4	12	natural	natural	ADJ
bjp-84324	4	13	metabolites	metabolite	NOUN
bjp-84324	4	14	in	in	ADP
bjp-84324	4	15	plants	plant	NOUN
bjp-84324	4	16	,	,	PUNCT
bjp-84324	4	17	animals	animal	NOUN
bjp-84324	4	18	,	,	PUNCT
bjp-84324	4	19	and	and	CCONJ
bjp-84324	4	20	microbial	microbial	ADJ
bjp-84324	4	21	systems	system	NOUN
bjp-84324	4	22	,	,	PUNCT
bjp-84324	4	23	occur	occur	VERB
bjp-84324	4	24	widely	widely	ADV
bjp-84324	4	25	in	in	ADP
bjp-84324	4	26	food	food	NOUN
bjp-84324	4	27	sources	source	NOUN
bjp-84324	4	28	such	such	ADJ
bjp-84324	4	29	as	as	ADP
bjp-84324	4	30	fruits	fruit	NOUN
bjp-84324	4	31	,	,	PUNCT
bjp-84324	4	32	nuts	nut	NOUN
bjp-84324	4	33	,	,	PUNCT
bjp-84324	4	34	vegetables	vegetable	NOUN
bjp-84324	4	35	,	,	PUNCT
bjp-84324	4	36	and	and	CCONJ
bjp-84324	4	37	seafood	seafood	NOUN
bjp-84324	4	38	.	.	PUNCT
bjp-84324	5	1	beyond	beyond	ADP
bjp-84324	5	2	their	their	PRON
bjp-84324	5	3	major	major	ADJ
bjp-84324	5	4	role	role	NOUN
bjp-84324	5	5	as	as	ADP
bjp-84324	5	6	food	food	NOUN
bjp-84324	5	7	preservatives	preservative	NOUN
bjp-84324	5	8	,	,	PUNCT
bjp-84324	5	9	benzoic	benzoic	ADJ
bjp-84324	5	10	acid	acid	NOUN
bjp-84324	5	11	derivatives	derivative	NOUN
bjp-84324	5	12	show	show	VERB
bjp-84324	5	13	a	a	DET
bjp-84324	5	14	diverse	diverse	ADJ
bjp-84324	5	15	range	range	NOUN
bjp-84324	5	16	of	of	ADP
bjp-84324	5	17	bioactivities	bioactivitie	NOUN
bjp-84324	5	18	,	,	PUNCT
bjp-84324	5	19	including	include	VERB
bjp-84324	5	20	antibacterial	antibacterial	ADJ
bjp-84324	5	21	,	,	PUNCT
bjp-84324	5	22	antifungal	antifungal	ADJ
bjp-84324	5	23	,	,	PUNCT
bjp-84324	5	24	anti	anti	ADJ
bjp-84324	5	25	-	-	ADJ
bjp-84324	5	26	inflammatory	inflammatory	ADJ
bjp-84324	5	27	,	,	PUNCT
bjp-84324	5	28	and	and	CCONJ
bjp-84324	5	29	anti	anti	ADJ
bjp-84324	5	30	-	-	ADJ
bjp-84324	5	31	protozoal	protozoal	ADJ
bjp-84324	5	32	effects	effect	NOUN
bjp-84324	5	33	(	(	PUNCT
bjp-84324	5	34	chen	chen	PROPN
bjp-84324	5	35	et	et	PROPN
bjp-84324	5	36	al	al	PROPN
bjp-84324	5	37	.	.	PROPN
bjp-84324	5	38	,	,	PUNCT
bjp-84324	5	39	2008	2008	NUM
bjp-84324	5	40	)	)	PUNCT
bjp-84324	5	41	.	.	PUNCT
bjp-84324	6	1	clinically	clinically	ADV
bjp-84324	6	2	,	,	PUNCT
bjp-84324	6	3	benzoic	benzoic	ADJ
bjp-84324	6	4	acid	acid	NOUN
bjp-84324	6	5	derivatives	derivative	NOUN
bjp-84324	6	6	such	such	ADJ
bjp-84324	6	7	as	as	ADP
bjp-84324	6	8	mefenamic	mefenamic	ADJ
bjp-84324	6	9	acid	acid	NOUN
bjp-84324	6	10	and	and	CCONJ
bjp-84324	6	11	meclofenamates	meclofenamate	NOUN
bjp-84324	6	12	are	be	AUX
bjp-84324	6	13	analgesics	analgesic	NOUN
bjp-84324	6	14	and	and	CCONJ
bjp-84324	6	15	anti	anti	ADJ
bjp-84324	6	16	-	-	ADJ
bjp-84324	6	17	inflammatory	inflammatory	ADJ
bjp-84324	6	18	agents	agent	NOUN
bjp-84324	6	19	used	use	VERB
bjp-84324	6	20	in	in	ADP
bjp-84324	6	21	osteoarthritis	osteoarthritis	NOUN
bjp-84324	6	22	,	,	PUNCT
bjp-84324	6	23	rheumatoid	rheumatoid	NOUN
bjp-84324	6	24	arthritis	arthritis	NOUN
bjp-84324	6	25	,	,	PUNCT
bjp-84324	6	26	and	and	CCONJ
bjp-84324	6	27	other	other	ADJ
bjp-84324	6	28	musculoskeletal	musculoskeletal	ADJ
bjp-84324	6	29	conditions	condition	NOUN
bjp-84324	6	30	.	.	PUNCT
bjp-84324	7	1	in	in	ADP
bjp-84324	7	2	this	this	DET
bjp-84324	7	3	study	study	NOUN
bjp-84324	7	4	,	,	PUNCT
bjp-84324	7	5	4-(dimethylamino)benzoate	4-(dimethylamino)benzoate	NUM
bjp-84324	7	6	was	be	AUX
bjp-84324	7	7	selected	select	VERB
bjp-84324	7	8	as	as	ADP
bjp-84324	7	9	the	the	DET
bjp-84324	7	10	aryl	aryl	NOUN
bjp-84324	7	11	acid	acid	NOUN
bjp-84324	7	12	due	due	ADP
bjp-84324	7	13	to	to	ADP
bjp-84324	7	14	its	its	PRON
bjp-84324	7	15	previously	previously	ADV
bjp-84324	7	16	reported	report	VERB
bjp-84324	7	17	antibacabstract	antibacabstract	ADJ
bjp-84324	7	18	amidohydrolase	amidohydrolase	NOUN
bjp-84324	7	19	enzymes	enzyme	NOUN
bjp-84324	7	20	regulate	regulate	VERB
bjp-84324	7	21	key	key	ADJ
bjp-84324	7	22	pathways	pathway	NOUN
bjp-84324	7	23	,	,	PUNCT
bjp-84324	7	24	and	and	CCONJ
bjp-84324	7	25	their	their	PRON
bjp-84324	7	26	dysregulation	dysregulation	NOUN
bjp-84324	7	27	is	be	AUX
bjp-84324	7	28	linked	link	VERB
bjp-84324	7	29	to	to	ADP
bjp-84324	7	30	infection	infection	NOUN
bjp-84324	7	31	,	,	PUNCT
bjp-84324	7	32	immune	immune	ADJ
bjp-84324	7	33	imbalance	imbalance	NOUN
bjp-84324	7	34	,	,	PUNCT
bjp-84324	7	35	and	and	CCONJ
bjp-84324	7	36	metabolic	metabolic	NOUN
bjp-84324	7	37	dysregulation	dysregulation	NOUN
bjp-84324	7	38	in	in	ADP
bjp-84324	7	39	cancer	cancer	NOUN
bjp-84324	7	40	.	.	PUNCT
bjp-84324	8	1	current	current	ADJ
bjp-84324	8	2	inhibitors	inhibitor	NOUN
bjp-84324	8	3	have	have	VERB
bjp-84324	8	4	issues	issue	NOUN
bjp-84324	8	5	of	of	ADP
bjp-84324	8	6	cost	cost	NOUN
bjp-84324	8	7	,	,	PUNCT
bjp-84324	8	8	environmental	environmental	ADJ
bjp-84324	8	9	persistence	persistence	NOUN
bjp-84324	8	10	,	,	PUNCT
bjp-84324	8	11	and	and	CCONJ
bjp-84324	8	12	toxicity	toxicity	NOUN
bjp-84324	8	13	.	.	PUNCT
bjp-84324	9	1	here	here	ADV
bjp-84324	9	2	,	,	PUNCT
bjp-84324	9	3	triglyceride	triglyceride	ADJ
bjp-84324	9	4	-	-	PUNCT
bjp-84324	9	5	derived	derive	VERB
bjp-84324	9	6	inhibitors	inhibitor	NOUN
bjp-84324	9	7	were	be	AUX
bjp-84324	9	8	investigated	investigate	VERB
bjp-84324	9	9	as	as	ADP
bjp-84324	9	10	low	low	ADJ
bjp-84324	9	11	-	-	PUNCT
bjp-84324	9	12	cost	cost	NOUN
bjp-84324	9	13	,	,	PUNCT
bjp-84324	9	14	synthetically	synthetically	ADV
bjp-84324	9	15	viable	viable	ADJ
bjp-84324	9	16	,	,	PUNCT
bjp-84324	9	17	and	and	CCONJ
bjp-84324	9	18	eco	eco	NOUN
bjp-84324	9	19	-	-	PUNCT
bjp-84324	9	20	friendly	friendly	ADJ
bjp-84324	9	21	candidates	candidate	NOUN
bjp-84324	9	22	targeting	target	VERB
bjp-84324	9	23	the	the	DET
bjp-84324	9	24	metalloenzyme	metalloenzyme	NOUN
bjp-84324	9	25	catalytic	catalytic	ADJ
bjp-84324	9	26	pocket	pocket	NOUN
bjp-84324	9	27	of	of	ADP
bjp-84324	9	28	urease	urease	NOUN
bjp-84324	9	29	,	,	PUNCT
bjp-84324	9	30	a	a	DET
bjp-84324	9	31	representative	representative	ADJ
bjp-84324	9	32	member	member	NOUN
bjp-84324	9	33	of	of	ADP
bjp-84324	9	34	the	the	DET
bjp-84324	9	35	amidohydrolase	amidohydrolase	ADJ
bjp-84324	9	36	family	family	NOUN
bjp-84324	9	37	.	.	PUNCT
bjp-84324	10	1	a	a	DET
bjp-84324	10	2	cyclic	cyclic	ADJ
bjp-84324	10	3	triglyceride	triglyceride	ADP
bjp-84324	10	4	ester	ester	NOUN
bjp-84324	10	5	series	series	NOUN
bjp-84324	10	6	(	(	PUNCT
bjp-84324	10	7	10a	10a	PROPN
bjp-84324	10	8	–	–	PUNCT
bjp-84324	10	9	c	c	NOUN
bjp-84324	10	10	)	)	PUNCT
bjp-84324	10	11	were	be	AUX
bjp-84324	10	12	synthesized	synthesize	VERB
bjp-84324	10	13	and	and	CCONJ
bjp-84324	10	14	characterized	characterize	VERB
bjp-84324	10	15	by	by	ADP
bjp-84324	10	16	standard	standard	ADJ
bjp-84324	10	17	spectroscopic	spectroscopic	ADJ
bjp-84324	10	18	methods	method	NOUN
bjp-84324	10	19	.	.	PUNCT
bjp-84324	11	1	racemic	racemic	ADJ
bjp-84324	11	2	compound	compound	NOUN
bjp-84324	11	3	(	(	PUNCT
bjp-84324	11	4	10a	10a	NOUN
bjp-84324	11	5	)	)	PUNCT
bjp-84324	11	6	exhibited	exhibit	VERB
bjp-84324	11	7	potent	potent	ADJ
bjp-84324	11	8	urease	urease	NOUN
bjp-84324	11	9	inhibition	inhibition	NOUN
bjp-84324	11	10	(	(	PUNCT
bjp-84324	11	11	ic₅₀	ic₅₀	PROPN
bjp-84324	11	12	=	=	SYM
bjp-84324	11	13	14.2	14.2	NUM
bjp-84324	11	14	µm	µm	NOUN
bjp-84324	11	15	)	)	PUNCT
bjp-84324	11	16	,	,	PUNCT
bjp-84324	11	17	surpassing	surpass	VERB
bjp-84324	11	18	thiourea	thiourea	NOUN
bjp-84324	11	19	(	(	PUNCT
bjp-84324	11	20	ic₅₀	ic₅₀	PROPN
bjp-84324	11	21	=	=	SYM
bjp-84324	11	22	21.6	21.6	NUM
bjp-84324	11	23	µm	µm	NOUN
bjp-84324	11	24	)	)	PUNCT
bjp-84324	11	25	.	.	PUNCT
bjp-84324	12	1	molecular	molecular	ADJ
bjp-84324	12	2	docking	docking	NOUN
bjp-84324	12	3	showed	show	VERB
bjp-84324	12	4	key	key	ADJ
bjp-84324	12	5	interactions	interaction	NOUN
bjp-84324	12	6	with	with	ADP
bjp-84324	12	7	cme592	cme592	NOUN
bjp-84324	12	8	and	and	CCONJ
bjp-84324	12	9	arg439	arg439	ADJ
bjp-84324	12	10	residues	residue	NOUN
bjp-84324	12	11	in	in	ADP
bjp-84324	12	12	the	the	DET
bjp-84324	12	13	catalytic	catalytic	ADJ
bjp-84324	12	14	pocket	pocket	NOUN
bjp-84324	12	15	.	.	PUNCT
bjp-84324	13	1	to	to	PART
bjp-84324	13	2	rank	rank	VERB
bjp-84324	13	3	the	the	DET
bjp-84324	13	4	(	(	PUNCT
bjp-84324	13	5	r	r	NOUN
bjp-84324	13	6	)	)	PUNCT
bjp-84324	13	7	and	and	CCONJ
bjp-84324	13	8	(	(	PUNCT
bjp-84324	13	9	s	s	NOUN
bjp-84324	13	10	)	)	PUNCT
bjp-84324	13	11	enantiomers	enantiomer	NOUN
bjp-84324	13	12	,	,	PUNCT
bjp-84324	13	13	a	a	DET
bjp-84324	13	14	molecular	molecular	ADJ
bjp-84324	13	15	dynamics	dynamic	NOUN
bjp-84324	13	16	scoring	scoring	NOUN
bjp-84324	13	17	approach	approach	NOUN
bjp-84324	13	18	was	be	AUX
bjp-84324	13	19	applied	apply	VERB
bjp-84324	13	20	,	,	PUNCT
bjp-84324	13	21	integrating	integrate	VERB
bjp-84324	13	22	real	real	ADJ
bjp-84324	13	23	-	-	PUNCT
bjp-84324	13	24	time	time	NOUN
bjp-84324	13	25	hydrogen	hydrogen	NOUN
bjp-84324	13	26	-	-	PUNCT
bjp-84324	13	27	bonding	bonding	NOUN
bjp-84324	13	28	,	,	PUNCT
bjp-84324	13	29	coulombic	coulombic	ADJ
bjp-84324	13	30	,	,	PUNCT
bjp-84324	13	31	and	and	CCONJ
bjp-84324	13	32	hydrophobic	hydrophobic	NOUN
bjp-84324	13	33	interactions	interaction	NOUN
bjp-84324	13	34	.	.	PUNCT
bjp-84324	14	1	both	both	DET
bjp-84324	14	2	enantiomers	enantiomer	NOUN
bjp-84324	14	3	showed	show	VERB
bjp-84324	14	4	comparable	comparable	ADJ
bjp-84324	14	5	dynamic	dynamic	ADJ
bjp-84324	14	6	scores	score	NOUN
bjp-84324	14	7	,	,	PUNCT
bjp-84324	14	8	validating	validate	VERB
bjp-84324	14	9	the	the	DET
bjp-84324	14	10	racemate	racemate	NOUN
bjp-84324	14	11	’s	’s	PART
bjp-84324	14	12	activity	activity	NOUN
bjp-84324	14	13	.	.	PUNCT
bjp-84324	15	1	these	these	DET
bjp-84324	15	2	findings	finding	NOUN
bjp-84324	15	3	suggest	suggest	VERB
bjp-84324	15	4	cyclic	cyclic	ADJ
bjp-84324	15	5	triglyceride	triglyceride	ADJ
bjp-84324	15	6	scaffolds	scaffold	NOUN
bjp-84324	15	7	as	as	ADP
bjp-84324	15	8	promising	promise	VERB
bjp-84324	15	9	inhibitors	inhibitor	NOUN
bjp-84324	15	10	for	for	ADP
bjp-84324	15	11	urease	urease	NOUN
bjp-84324	15	12	and	and	CCONJ
bjp-84324	15	13	potential	potential	ADJ
bjp-84324	15	14	candidates	candidate	NOUN
bjp-84324	15	15	for	for	ADP
bjp-84324	15	16	other	other	ADJ
bjp-84324	15	17	amidohydrolase	amidohydrolase	NOUN
bjp-84324	15	18	enzymes	enzyme	NOUN
bjp-84324	15	19	.	.	PUNCT
bjp-84324	16	1	article	article	NOUN
bjp-84324	16	2	info	info	NOUN
bjp-84324	16	3	received	receive	VERB
bjp-84324	16	4	:	:	PUNCT
bjp-84324	16	5	15	15	NUM
bjp-84324	16	6	september	september	PROPN
bjp-84324	16	7	2025	2025	NUM
bjp-84324	16	8	accepted	accept	VERB
bjp-84324	16	9	:	:	PUNCT
bjp-84324	16	10	18	18	NUM
bjp-84324	16	11	october	october	PROPN
bjp-84324	16	12	2025	2025	NUM
bjp-84324	16	13	available	available	ADJ
bjp-84324	16	14	online	online	NOUN
bjp-84324	16	15	:	:	PUNCT
bjp-84324	16	16	28	28	NUM
bjp-84324	16	17	october	october	PROPN
bjp-84324	16	18	2025	2025	NUM
bjp-84324	16	19	doi	doi	NOUN
bjp-84324	16	20	:	:	PUNCT
bjp-84324	16	21	10.3329	10.3329	NUM
bjp-84324	16	22	/	/	SYM
bjp-84324	16	23	bjp.v20i4.84324	bjp.v20i4.84324	PROPN
bjp-84324	16	24	cite	cite	VERB
bjp-84324	16	25	this	this	DET
bjp-84324	16	26	article	article	NOUN
bjp-84324	16	27	:	:	PUNCT
bjp-84324	16	28	sheikh	sheikh	PROPN
bjp-84324	16	29	hk	hk	PROPN
bjp-84324	16	30	,	,	PUNCT
bjp-84324	16	31	arshad	arshad	PROPN
bjp-84324	16	32	t	t	PROPN
bjp-84324	16	33	,	,	PUNCT
bjp-84324	16	34	khan	khan	PROPN
bjp-84324	16	35	h	h	PROPN
bjp-84324	16	36	,	,	PUNCT
bjp-84324	16	37	habib	habib	PROPN
bjp-84324	16	38	u	u	PROPN
bjp-84324	16	39	,	,	PUNCT
bjp-84324	16	40	ortiz	ortiz	PROPN
bjp-84324	16	41	cjc	cjc	PROPN
bjp-84324	16	42	.	.	PUNCT
bjp-84324	17	1	studies	study	NOUN
bjp-84324	17	2	on	on	ADP
bjp-84324	17	3	racemic	racemic	ADJ
bjp-84324	17	4	triglycerides	triglyceride	NOUN
bjp-84324	17	5	as	as	ADP
bjp-84324	17	6	urease	urease	VERB
bjp-84324	17	7	enzyme	enzyme	NOUN
bjp-84324	17	8	inhibitors	inhibitor	NOUN
bjp-84324	17	9	.	.	PUNCT
bjp-84324	18	1	bangladesh	bangladesh	PROPN
bjp-84324	18	2	j	j	PROPN
bjp-84324	18	3	pharmacol	pharmacol	PROPN
bjp-84324	18	4	.	.	PUNCT
bjp-84324	19	1	2025	2025	NUM
bjp-84324	19	2	;	;	PUNCT
bjp-84324	19	3	20	20	NUM
bjp-84324	19	4	:	:	SYM
bjp-84324	19	5	140	140	NUM
bjp-84324	19	6	-	-	SYM
bjp-84324	19	7	49	49	NUM
bjp-84324	19	8	.	.	PUNCT
bjp-84324	20	1	studies	study	NOUN
bjp-84324	20	2	on	on	ADP
bjp-84324	20	3	racemic	racemic	ADJ
bjp-84324	20	4	triglycerides	triglyceride	NOUN
bjp-84324	20	5	as	as	ADP
bjp-84324	20	6	urease	urease	VERB
bjp-84324	20	7	enzyme	enzyme	NOUN
bjp-84324	20	8	inhibitors	inhibitor	NOUN
bjp-84324	20	9	hamdullah	hamdullah	VERB
bjp-84324	20	10	khadim	khadim	PROPN
bjp-84324	20	11	sheikh1	sheikh1	PROPN
bjp-84324	20	12	,	,	PUNCT
bjp-84324	20	13	tanzila	tanzila	PROPN
bjp-84324	20	14	arshad2	arshad2	PROPN
bjp-84324	20	15	,	,	PUNCT
bjp-84324	20	16	haroon	haroon	PROPN
bjp-84324	20	17	khan3	khan3	PROPN
bjp-84324	20	18	,	,	PUNCT
bjp-84324	20	19	uzma	uzma	PROPN
bjp-84324	20	20	habib4	habib4	NOUN
bjp-84324	20	21	,	,	PUNCT
bjp-84324	20	22	cindy	cindy	PROPN
bjp-84324	20	23	juliet	juliet	PROPN
bjp-84324	20	24	cristancho	cristancho	PROPN
bjp-84324	20	25	ortiz5	ortiz5	PROPN
bjp-84324	21	1	1biolab	1biolab	NUM
bjp-84324	21	2	,	,	PUNCT
bjp-84324	21	3	instituto	instituto	PROPN
bjp-84324	21	4	universitario	universitario	PROPN
bjp-84324	21	5	de	de	PROPN
bjp-84324	21	6	bio	bio	PROPN
bjp-84324	21	7	-	-	ADJ
bjp-84324	21	8	organica	organica	NOUN
bjp-84324	21	9	antonio	antonio	PROPN
bjp-84324	21	10	gonzalez	gonzalez	PROPN
bjp-84324	21	11	,	,	PUNCT
bjp-84324	21	12	universidad	universidad	PROPN
bjp-84324	21	13	de	de	PROPN
bjp-84324	21	14	la	la	PROPN
bjp-84324	21	15	laguna	laguna	PROPN
bjp-84324	21	16	,	,	PUNCT
bjp-84324	21	17	la	la	PROPN
bjp-84324	21	18	laguna	laguna	PROPN
bjp-84324	21	19	,	,	PUNCT
bjp-84324	21	20	spain	spain	PROPN
bjp-84324	21	21	;	;	PUNCT
bjp-84324	21	22	2department	2department	NUM
bjp-84324	21	23	of	of	ADP
bjp-84324	21	24	pharmacognosy	pharmacognosy	NOUN
bjp-84324	21	25	,	,	PUNCT
bjp-84324	21	26	faculty	faculty	NOUN
bjp-84324	21	27	of	of	ADP
bjp-84324	21	28	pharmacy	pharmacy	NOUN
bjp-84324	21	29	,	,	PUNCT
bjp-84324	21	30	university	university	PROPN
bjp-84324	21	31	of	of	ADP
bjp-84324	21	32	karachi	karachi	PROPN
bjp-84324	21	33	,	,	PUNCT
bjp-84324	21	34	pakistan	pakistan	PROPN
bjp-84324	21	35	;	;	PUNCT
bjp-84324	21	36	3department	3department	NUM
bjp-84324	21	37	of	of	ADP
bjp-84324	21	38	pharmacy	pharmacy	NOUN
bjp-84324	21	39	,	,	PUNCT
bjp-84324	21	40	korea	korea	PROPN
bjp-84324	21	41	university	university	PROPN
bjp-84324	21	42	,	,	PUNCT
bjp-84324	21	43	sejong	sejong	ADJ
bjp-84324	21	44	20019	20019	NUM
bjp-84324	21	45	,	,	PUNCT
bjp-84324	21	46	south	south	PROPN
bjp-84324	21	47	korea	korea	PROPN
bjp-84324	21	48	;	;	PUNCT
bjp-84324	21	49	4school	4school	NUM
bjp-84324	21	50	of	of	ADP
bjp-84324	21	51	interdisciplinary	interdisciplinary	ADJ
bjp-84324	21	52	engineering	engineering	NOUN
bjp-84324	21	53	and	and	CCONJ
bjp-84324	21	54	sciences	sciences	PROPN
bjp-84324	21	55	,	,	PUNCT
bjp-84324	21	56	national	national	ADJ
bjp-84324	21	57	university	university	PROPN
bjp-84324	21	58	of	of	ADP
bjp-84324	21	59	sciences	science	NOUN
bjp-84324	21	60	and	and	CCONJ
bjp-84324	21	61	technology	technology	NOUN
bjp-84324	21	62	,	,	PUNCT
bjp-84324	21	63	pakistan	pakistan	PROPN
bjp-84324	21	64	;	;	PUNCT
bjp-84324	21	65	5department	5department	NUM
bjp-84324	21	66	of	of	ADP
bjp-84324	21	67	pharmacy	pharmacy	NOUN
bjp-84324	21	68	,	,	PUNCT
bjp-84324	21	69	university	university	NOUN
bjp-84324	21	70	of	of	ADP
bjp-84324	21	71	granada	granada	PROPN
bjp-84324	21	72	,	,	PUNCT
bjp-84324	21	73	spain	spain	PROPN
bjp-84324	21	74	.	.	PUNCT
bjp-84324	22	1	this	this	DET
bjp-84324	22	2	work	work	NOUN
bjp-84324	22	3	is	be	AUX
bjp-84324	22	4	licensed	license	VERB
bjp-84324	22	5	under	under	ADP
bjp-84324	22	6	a	a	DET
bjp-84324	22	7	creative	creative	ADJ
bjp-84324	22	8	commons	common	NOUN
bjp-84324	22	9	attribution	attribution	NOUN
bjp-84324	22	10	4.0	4.0	NUM
bjp-84324	22	11	license	license	NOUN
bjp-84324	22	12	.	.	PUNCT
bjp-84324	23	1	you	you	PRON
bjp-84324	23	2	are	be	AUX
bjp-84324	23	3	free	free	ADJ
bjp-84324	23	4	to	to	PART
bjp-84324	23	5	copy	copy	VERB
bjp-84324	23	6	,	,	PUNCT
bjp-84324	23	7	distribute	distribute	VERB
bjp-84324	23	8	and	and	CCONJ
bjp-84324	23	9	perform	perform	VERB
bjp-84324	23	10	the	the	DET
bjp-84324	23	11	work	work	NOUN
bjp-84324	23	12	.	.	PUNCT
bjp-84324	24	1	you	you	PRON
bjp-84324	24	2	must	must	AUX
bjp-84324	24	3	attribute	attribute	VERB
bjp-84324	24	4	the	the	DET
bjp-84324	24	5	work	work	NOUN
bjp-84324	24	6	in	in	ADP
bjp-84324	24	7	the	the	DET
bjp-84324	24	8	manner	manner	NOUN
bjp-84324	24	9	specified	specify	VERB
bjp-84324	24	10	by	by	ADP
bjp-84324	24	11	the	the	DET
bjp-84324	24	12	author	author	NOUN
bjp-84324	24	13	or	or	CCONJ
bjp-84324	24	14	licensor	licensor	NOUN
bjp-84324	24	15	.	.	PUNCT
bjp-84324	25	1	a	a	DET
bjp-84324	25	2	journal	journal	NOUN
bjp-84324	25	3	of	of	ADP
bjp-84324	25	4	the	the	DET
bjp-84324	25	5	bangladesh	bangladesh	NOUN
bjp-84324	25	6	pharmacological	pharmacological	ADJ
bjp-84324	25	7	society	society	NOUN
bjp-84324	25	8	(	(	PUNCT
bjp-84324	25	9	bdps	bdps	NOUN
bjp-84324	25	10	)	)	PUNCT
bjp-84324	25	11	bangladesh	bangladesh	PROPN
bjp-84324	25	12	j	j	PROPN
bjp-84324	25	13	pharmacol	pharmacol	PROPN
bjp-84324	25	14	2025	2025	NUM
bjp-84324	25	15	;	;	PUNCT
bjp-84324	25	16	20	20	NUM
bjp-84324	25	17	:	:	SYM
bjp-84324	25	18	140	140	NUM
bjp-84324	25	19	-	-	SYM
bjp-84324	25	20	149	149	NUM
bjp-84324	25	21	journal	journal	NOUN
bjp-84324	25	22	homepage	homepage	NOUN
bjp-84324	25	23	:	:	PUNCT
bjp-84324	25	24	www.bdpsjournal.org	www.bdpsjournal.org	NUM
bjp-84324	25	25	;	;	PUNCT
bjp-84324	25	26	www.banglajol.info	www.banglajol.info	PROPN
bjp-84324	25	27	abstracted	abstract	VERB
bjp-84324	25	28	/	/	SYM
bjp-84324	25	29	indexed	index	VERB
bjp-84324	25	30	in	in	ADP
bjp-84324	25	31	academic	academic	ADJ
bjp-84324	25	32	search	search	NOUN
bjp-84324	25	33	complete	complete	ADJ
bjp-84324	25	34	,	,	PUNCT
bjp-84324	25	35	agroforestry	agroforestry	NOUN
bjp-84324	25	36	abstracts	abstract	NOUN
bjp-84324	25	37	,	,	PUNCT
bjp-84324	25	38	asia	asia	PROPN
bjp-84324	25	39	journals	journal	NOUN
bjp-84324	25	40	online	online	ADV
bjp-84324	25	41	,	,	PUNCT
bjp-84324	25	42	bangladesh	bangladesh	NOUN
bjp-84324	25	43	journals	journal	NOUN
bjp-84324	25	44	online	online	ADV
bjp-84324	25	45	,	,	PUNCT
bjp-84324	25	46	biological	biological	ADJ
bjp-84324	25	47	abstracts	abstract	NOUN
bjp-84324	25	48	,	,	PUNCT
bjp-84324	25	49	biosis	biosis	NOUN
bjp-84324	25	50	previews	preview	NOUN
bjp-84324	25	51	,	,	PUNCT
bjp-84324	25	52	cab	cab	NOUN
bjp-84324	25	53	abstracts	abstract	NOUN
bjp-84324	25	54	,	,	PUNCT
bjp-84324	25	55	current	current	ADJ
bjp-84324	25	56	abstracts	abstract	NOUN
bjp-84324	25	57	,	,	PUNCT
bjp-84324	25	58	directory	directory	NOUN
bjp-84324	25	59	of	of	ADP
bjp-84324	25	60	open	open	ADJ
bjp-84324	25	61	access	access	NOUN
bjp-84324	25	62	journals	journal	NOUN
bjp-84324	25	63	,	,	PUNCT
bjp-84324	25	64	embase	embase	NOUN
bjp-84324	25	65	/	/	SYM
bjp-84324	25	66	excerpta	excerpta	NOUN
bjp-84324	25	67	medica	medica	NOUN
bjp-84324	25	68	,	,	PUNCT
bjp-84324	25	69	global	global	ADJ
bjp-84324	25	70	health	health	NOUN
bjp-84324	25	71	,	,	PUNCT
bjp-84324	25	72	google	google	PROPN
bjp-84324	25	73	scholar	scholar	NOUN
bjp-84324	25	74	,	,	PUNCT
bjp-84324	25	75	hinari	hinari	X
bjp-84324	25	76	(	(	PUNCT
bjp-84324	25	77	who	who	PRON
bjp-84324	25	78	)	)	PUNCT
bjp-84324	25	79	,	,	PUNCT
bjp-84324	25	80	international	international	ADJ
bjp-84324	25	81	pharmaceutical	pharmaceutical	ADJ
bjp-84324	25	82	abstracts	abstract	NOUN
bjp-84324	25	83	,	,	PUNCT
bjp-84324	25	84	open	open	ADJ
bjp-84324	25	85	j	j	PROPN
bjp-84324	25	86	-	-	PUNCT
bjp-84324	25	87	gate	gate	NOUN
bjp-84324	25	88	,	,	PUNCT
bjp-84324	25	89	science	science	NOUN
bjp-84324	25	90	citation	citation	NOUN
bjp-84324	25	91	index	index	NOUN
bjp-84324	25	92	expanded	expand	VERB
bjp-84324	25	93	,	,	PUNCT
bjp-84324	25	94	scopus	scopus	NOUN
bjp-84324	25	95	and	and	CCONJ
bjp-84324	25	96	social	social	ADJ
bjp-84324	25	97	sciences	sciences	PROPN
bjp-84324	25	98	citation	citation	NOUN
bjp-84324	25	99	index	index	NOUN
bjp-84324	25	100	issn	issn	PROPN
bjp-84324	25	101	:	:	PUNCT
bjp-84324	25	102	1991	1991	NUM
bjp-84324	25	103	-	-	SYM
bjp-84324	25	104	0088	0088	NUM
bjp-84324	25	105	terial	terial	ADJ
bjp-84324	25	106	and	and	CCONJ
bjp-84324	25	107	enzymatic	enzymatic	ADJ
bjp-84324	25	108	inhibitory	inhibitory	ADJ
bjp-84324	25	109	properties	property	NOUN
bjp-84324	25	110	.	.	PUNCT
bjp-84324	26	1	the	the	DET
bjp-84324	26	2	electrondonating	electrondonate	VERB
bjp-84324	26	3	dimethylamino	dimethylamino	PROPN
bjp-84324	26	4	(	(	PUNCT
bjp-84324	26	5	n(ch3)2	n(ch3)2	NOUN
bjp-84324	26	6	)	)	PUNCT
bjp-84324	26	7	group	group	NOUN
bjp-84324	26	8	enhances	enhance	VERB
bjp-84324	26	9	lipophilicity	lipophilicity	NOUN
bjp-84324	26	10	and	and	CCONJ
bjp-84324	26	11	also	also	ADV
bjp-84324	26	12	enables	enable	VERB
bjp-84324	26	13	potential	potential	ADJ
bjp-84324	26	14	interaction	interaction	NOUN
bjp-84324	26	15	with	with	ADP
bjp-84324	26	16	the	the	DET
bjp-84324	26	17	active	active	ADJ
bjp-84324	26	18	site	site	NOUN
bjp-84324	26	19	,	,	PUNCT
bjp-84324	26	20	making	make	VERB
bjp-84324	26	21	it	it	PRON
bjp-84324	26	22	a	a	DET
bjp-84324	26	23	suitable	suitable	ADJ
bjp-84324	26	24	candidate	candidate	NOUN
bjp-84324	26	25	for	for	ADP
bjp-84324	26	26	triglyceride	triglyceride	ADJ
bjp-84324	26	27	scaffold	scaffold	NOUN
bjp-84324	26	28	functionalization	functionalization	NOUN
bjp-84324	26	29	(	(	PUNCT
bjp-84324	26	30	sheikh	sheikh	NOUN
bjp-84324	26	31	and	and	CCONJ
bjp-84324	26	32	kazmi	kazmi	PROPN
bjp-84324	26	33	,	,	PUNCT
bjp-84324	26	34	2017	2017	NUM
bjp-84324	26	35	)	)	PUNCT
bjp-84324	26	36	.	.	PUNCT
bjp-84324	27	1	the	the	DET
bjp-84324	27	2	amidohydrolase	amidohydrolase	ADJ
bjp-84324	27	3	enzymatic	enzymatic	ADJ
bjp-84324	27	4	family	family	NOUN
bjp-84324	27	5	plays	play	VERB
bjp-84324	27	6	a	a	DET
bjp-84324	27	7	key	key	ADJ
bjp-84324	27	8	role	role	NOUN
bjp-84324	27	9	in	in	ADP
bjp-84324	27	10	diverse	diverse	ADJ
bjp-84324	27	11	biological	biological	ADJ
bjp-84324	27	12	processes	process	NOUN
bjp-84324	27	13	,	,	PUNCT
bjp-84324	27	14	including	include	VERB
bjp-84324	27	15	n2	n2	ADJ
bjp-84324	27	16	metabolism	metabolism	NOUN
bjp-84324	27	17	,	,	PUNCT
bjp-84324	27	18	co₂	co₂	NOUN
bjp-84324	27	19	regulation	regulation	NOUN
bjp-84324	27	20	,	,	PUNCT
bjp-84324	27	21	and	and	CCONJ
bjp-84324	27	22	hydrolysis	hydrolysis	NOUN
bjp-84324	27	23	of	of	ADP
bjp-84324	27	24	amide	amide	NOUN
bjp-84324	27	25	(	(	PUNCT
bjp-84324	27	26	-conh	-conh	PROPN
bjp-84324	27	27	)	)	PUNCT
bjp-84324	27	28	and	and	CCONJ
bjp-84324	27	29	ester	ester	NOUN
bjp-84324	27	30	(	(	PUNCT
bjp-84324	27	31	-coor	-coor	NOUN
bjp-84324	27	32	)	)	PUNCT
bjp-84324	27	33	bonds	bond	NOUN
bjp-84324	27	34	.	.	PUNCT
bjp-84324	28	1	dysregulation	dysregulation	NOUN
bjp-84324	28	2	of	of	ADP
bjp-84324	28	3	these	these	DET
bjp-84324	28	4	enzymes	enzyme	NOUN
bjp-84324	28	5	is	be	AUX
bjp-84324	28	6	linked	link	VERB
bjp-84324	28	7	to	to	ADP
bjp-84324	28	8	multiple	multiple	ADJ
bjp-84324	28	9	diseases	disease	NOUN
bjp-84324	28	10	;	;	PUNCT
bjp-84324	28	11	for	for	ADP
bjp-84324	28	12	instance	instance	NOUN
bjp-84324	28	13	,	,	PUNCT
bjp-84324	28	14	urease	urease	VERB
bjp-84324	28	15	mediated	mediate	VERB
bjp-84324	28	16	survival	survival	NOUN
bjp-84324	28	17	of	of	ADP
bjp-84324	28	18	helicobacter	helicobacter	NOUN
bjp-84324	28	19	pylori	pylori	NOUN
bjp-84324	28	20	contributes	contribute	VERB
bjp-84324	28	21	to	to	ADP
bjp-84324	28	22	gastric	gastric	ADJ
bjp-84324	28	23	infections	infection	NOUN
bjp-84324	28	24	and	and	CCONJ
bjp-84324	28	25	ulcers	ulcer	NOUN
bjp-84324	28	26	,	,	PUNCT
bjp-84324	28	27	while	while	SCONJ
bjp-84324	28	28	other	other	ADJ
bjp-84324	28	29	amidohydrolases	amidohydrolase	NOUN
bjp-84324	28	30	like	like	ADP
bjp-84324	28	31	arginase	arginase	NOUN
bjp-84324	28	32	and	and	CCONJ
bjp-84324	28	33	carbonic	carbonic	ADJ
bjp-84324	28	34	anhydrase	anhydrase	NOUN
bjp-84324	28	35	contribute	contribute	NOUN
bjp-84324	28	36	to	to	ADP
bjp-84324	28	37	cancer	cancer	NOUN
bjp-84324	28	38	metabolism	metabolism	NOUN
bjp-84324	28	39	,	,	PUNCT
bjp-84324	28	40	immune	immune	ADJ
bjp-84324	28	41	suppression	suppression	NOUN
bjp-84324	28	42	and	and	CCONJ
bjp-84324	28	43	ph	ph	NOUN
bjp-84324	28	44	homeostasis	homeostasis	NOUN
bjp-84324	28	45	(	(	PUNCT
bjp-84324	28	46	güzel	güzel	NOUN
bjp-84324	28	47	-	-	PUNCT
bjp-84324	28	48	akdemir	akdemir	PROPN
bjp-84324	28	49	and	and	CCONJ
bjp-84324	28	50	akdemir	akdemir	NOUN
bjp-84324	28	51	,	,	PUNCT
bjp-84324	28	52	2025	2025	NUM
bjp-84324	28	53	)	)	PUNCT
bjp-84324	28	54	;	;	PUNCT
bjp-84324	28	55	grzywa	grzywa	PROPN
bjp-84324	28	56	et	et	PROPN
bjp-84324	28	57	al	al	PROPN
bjp-84324	28	58	.	.	PROPN
bjp-84324	28	59	,	,	PUNCT
bjp-84324	28	60	2020	2020	NUM
bjp-84324	28	61	)	)	PUNCT
bjp-84324	28	62	.	.	PUNCT
bjp-84324	29	1	hence	hence	ADV
bjp-84324	29	2	,	,	PUNCT
bjp-84324	29	3	selective	selective	ADJ
bjp-84324	29	4	inhibition	inhibition	NOUN
bjp-84324	29	5	of	of	ADP
bjp-84324	29	6	amidohydrolases	amidohydrolase	NOUN
bjp-84324	29	7	represents	represent	VERB
bjp-84324	29	8	a	a	DET
bjp-84324	29	9	promising	promising	ADJ
bjp-84324	29	10	therapeutic	therapeutic	ADJ
bjp-84324	29	11	appro	appro	ADJ
bjp-84324	29	12	-ach	-ach	NOUN
bjp-84324	29	13	.	.	PUNCT
bjp-84324	30	1	the	the	DET
bjp-84324	30	2	amidohydrolase	amidohydrolase	ADJ
bjp-84324	30	3	family	family	NOUN
bjp-84324	30	4	members	member	NOUN
bjp-84324	30	5	shares	share	VERB
bjp-84324	30	6	structurally	structurally	ADV
bjp-84324	30	7	similar	similar	ADJ
bjp-84324	30	8	metalloenzyme	metalloenzyme	NOUN
bjp-84324	30	9	catalytic	catalytic	ADJ
bjp-84324	30	10	residues	residue	NOUN
bjp-84324	30	11	across	across	ADP
bjp-84324	30	12	its	its	PRON
bjp-84324	30	13	members	member	NOUN
bjp-84324	30	14	,	,	PUNCT
bjp-84324	30	15	including	include	VERB
bjp-84324	30	16	urease	urease	NOUN
bjp-84324	30	17	,	,	PUNCT
bjp-84324	30	18	arginase	arginase	NOUN
bjp-84324	30	19	,	,	PUNCT
bjp-84324	30	20	and	and	CCONJ
bjp-84324	30	21	carbonic	carbonic	ADJ
bjp-84324	30	22	anhydrase	anhydrase	NOUN
bjp-84324	30	23	.	.	PUNCT
bjp-84324	31	1	urease	urease	NOUN
bjp-84324	31	2	(	(	PUNCT
bjp-84324	31	3	urea	urea	NOUN
bjp-84324	31	4	amidohydrolase	amidohydrolase	NOUN
bjp-84324	31	5	,	,	PUNCT
bjp-84324	31	6	e.c.3.5.1.5	e.c.3.5.1.5	NOUN
bjp-84324	31	7	)	)	PUNCT
bjp-84324	31	8	is	be	AUX
bjp-84324	31	9	a	a	DET
bjp-84324	31	10	metalloenzyme	metalloenzyme	NOUN
bjp-84324	31	11	produced	produce	VERB
bjp-84324	31	12	by	by	ADP
bjp-84324	31	13	plants	plant	NOUN
bjp-84324	31	14	,	,	PUNCT
bjp-84324	31	15	animals	animal	NOUN
bjp-84324	31	16	,	,	PUNCT
bjp-84324	31	17	and	and	CCONJ
bjp-84324	31	18	microorganisms	microorganism	NOUN
bjp-84324	31	19	that	that	PRON
bjp-84324	31	20	catalyzes	catalyze	VERB
bjp-84324	31	21	the	the	DET
bjp-84324	31	22	hydrolysis	hydrolysis	NOUN
bjp-84324	31	23	of	of	ADP
bjp-84324	31	24	urea	urea	NOUN
bjp-84324	31	25	into	into	ADP
bjp-84324	31	26	nh3	nh3	NOUN
bjp-84324	31	27	and	and	CCONJ
bjp-84324	31	28	co2	co2	NOUN
bjp-84324	31	29	.	.	PUNCT
bjp-84324	32	1	over	over	ADP
bjp-84324	32	2	50	50	NUM
bjp-84324	32	3	%	%	NOUN
bjp-84324	32	4	of	of	ADP
bjp-84324	32	5	the	the	DET
bjp-84324	32	6	global	global	ADJ
bjp-84324	32	7	population	population	NOUN
bjp-84324	32	8	harbors	harbor	VERB
bjp-84324	32	9	helicobacter	helicobacter	NOUN
bjp-84324	32	10	pylori	pylori	NOUN
bjp-84324	32	11	,	,	PUNCT
bjp-84324	32	12	a	a	DET
bjp-84324	32	13	gram	gram	NOUN
bjp-84324	32	14	-	-	PUNCT
bjp-84324	32	15	negative	negative	ADJ
bjp-84324	32	16	bacterium	bacterium	NOUN
bjp-84324	32	17	that	that	PRON
bjp-84324	32	18	uses	use	VERB
bjp-84324	32	19	urease	urease	NOUN
bjp-84324	32	20	to	to	PART
bjp-84324	32	21	colonize	colonize	VERB
bjp-84324	32	22	the	the	DET
bjp-84324	32	23	stomach	stomach	NOUN
bjp-84324	32	24	,	,	PUNCT
bjp-84324	32	25	leading	lead	VERB
bjp-84324	32	26	to	to	ADP
bjp-84324	32	27	conditions	condition	NOUN
bjp-84324	32	28	such	such	ADJ
bjp-84324	32	29	as	as	ADP
bjp-84324	32	30	gastric	gastric	ADJ
bjp-84324	32	31	ulcer	ulcer	NOUN
bjp-84324	32	32	and	and	CCONJ
bjp-84324	32	33	urinary	urinary	ADJ
bjp-84324	32	34	tract	tract	NOUN
bjp-84324	32	35	stone	stone	NOUN
bjp-84324	32	36	(	(	PUNCT
bjp-84324	32	37	hooi	hooi	NOUN
bjp-84324	32	38	et	et	PROPN
bjp-84324	32	39	al	al	PROPN
bjp-84324	32	40	.	.	PROPN
bjp-84324	32	41	,	,	PUNCT
bjp-84324	32	42	2017	2017	NUM
bjp-84324	32	43	)	)	PUNCT
bjp-84324	32	44	.	.	PUNCT
bjp-84324	33	1	this	this	DET
bjp-84324	33	2	study	study	NOUN
bjp-84324	33	3	,	,	PUNCT
bjp-84324	33	4	therefore	therefore	ADV
bjp-84324	33	5	,	,	PUNCT
bjp-84324	33	6	explores	explore	NOUN
bjp-84324	33	7	novel	novel	VERB
bjp-84324	33	8	triglyceridebased	triglyceridebase	VERB
bjp-84324	33	9	scaffolds	scaffold	NOUN
bjp-84324	33	10	for	for	ADP
bjp-84324	33	11	urease	urease	ADJ
bjp-84324	33	12	inhibition	inhibition	NOUN
bjp-84324	33	13	as	as	ADP
bjp-84324	33	14	a	a	DET
bjp-84324	33	15	first	first	ADJ
bjp-84324	33	16	step	step	NOUN
bjp-84324	33	17	,	,	PUNCT
bjp-84324	33	18	aiming	aim	VERB
bjp-84324	33	19	for	for	ADP
bjp-84324	33	20	low	low	ADJ
bjp-84324	33	21	-	-	PUNCT
bjp-84324	33	22	cost	cost	NOUN
bjp-84324	33	23	,	,	PUNCT
bjp-84324	33	24	environmentally	environmentally	ADV
bjp-84324	33	25	friendly	friendly	ADJ
bjp-84324	33	26	alternatives	alternative	NOUN
bjp-84324	33	27	to	to	ADP
bjp-84324	33	28	conventional	conventional	ADJ
bjp-84324	33	29	inhibitors	inhibitor	NOUN
bjp-84324	33	30	while	while	SCONJ
bjp-84324	33	31	targeting	target	VERB
bjp-84324	33	32	the	the	DET
bjp-84324	33	33	conserved	conserve	VERB
bjp-84324	33	34	metalloenzyme	metalloenzyme	NOUN
bjp-84324	33	35	catalytic	catalytic	ADJ
bjp-84324	33	36	pocket	pocket	NOUN
bjp-84324	33	37	shared	share	VERB
bjp-84324	33	38	across	across	ADP
bjp-84324	33	39	the	the	DET
bjp-84324	33	40	amidohydrolase	amidohydrolase	ADJ
bjp-84324	33	41	family	family	NOUN
bjp-84324	33	42	.	.	PUNCT
bjp-84324	34	1	safer	safe	ADJ
bjp-84324	34	2	and	and	CCONJ
bjp-84324	34	3	facile	facile	VERB
bjp-84324	34	4	synthetic	synthetic	ADJ
bjp-84324	34	5	approaches	approach	NOUN
bjp-84324	34	6	using	use	VERB
bjp-84324	34	7	carbonyldiimidazole	carbonyldiimidazole	NOUN
bjp-84324	34	8	were	be	AUX
bjp-84324	34	9	employed	employ	VERB
bjp-84324	34	10	for	for	ADP
bjp-84324	34	11	triglyceride	triglyceride	ADJ
bjp-84324	34	12	functionalizetion	functionalizetion	NOUN
bjp-84324	34	13	,	,	PUNCT
bjp-84324	34	14	offering	offer	VERB
bjp-84324	34	15	structural	structural	ADJ
bjp-84324	34	16	adaptability	adaptability	NOUN
bjp-84324	34	17	and	and	CCONJ
bjp-84324	34	18	retrosynthetic	retrosynthetic	ADJ
bjp-84324	34	19	simplicity	simplicity	NOUN
bjp-84324	34	20	for	for	ADP
bjp-84324	34	21	future	future	ADJ
bjp-84324	34	22	diversification	diversification	NOUN
bjp-84324	34	23	.	.	PUNCT
bjp-84324	35	1	urease	urease	VERB
bjp-84324	35	2	inhibition	inhibition	NOUN
bjp-84324	35	3	was	be	AUX
bjp-84324	35	4	assessed	assess	VERB
bjp-84324	35	5	as	as	ADP
bjp-84324	35	6	a	a	DET
bjp-84324	35	7	first	first	ADJ
bjp-84324	35	8	step	step	NOUN
bjp-84324	35	9	to	to	PART
bjp-84324	35	10	validate	validate	VERB
bjp-84324	35	11	the	the	DET
bjp-84324	35	12	scaffold	scaffold	NOUN
bjp-84324	35	13	through	through	ADP
bjp-84324	35	14	bioactivity	bioactivity	NOUN
bjp-84324	35	15	analysis	analysis	NOUN
bjp-84324	35	16	,	,	PUNCT
bjp-84324	35	17	with	with	ADP
bjp-84324	35	18	extensive	extensive	ADJ
bjp-84324	35	19	computational	computational	ADJ
bjp-84324	35	20	studies	study	NOUN
bjp-84324	35	21	used	use	VERB
bjp-84324	35	22	to	to	PART
bjp-84324	35	23	explore	explore	VERB
bjp-84324	35	24	broader	broad	ADJ
bjp-84324	35	25	inhibitory	inhibitory	ADJ
bjp-84324	35	26	potential	potential	NOUN
bjp-84324	35	27	based	base	VERB
bjp-84324	35	28	on	on	ADP
bjp-84324	35	29	conserved	conserved	ADJ
bjp-84324	35	30	residue	residue	NOUN
bjp-84324	35	31	interactions	interaction	NOUN
bjp-84324	35	32	across	across	ADP
bjp-84324	35	33	the	the	DET
bjp-84324	35	34	amidohydrolase	amidohydrolase	ADJ
bjp-84324	35	35	family	family	NOUN
bjp-84324	35	36	.	.	PUNCT
bjp-84324	36	1	by	by	ADP
bjp-84324	36	2	integrating	integrate	VERB
bjp-84324	36	3	structure	structure	NOUN
bjp-84324	36	4	-	-	PUNCT
bjp-84324	36	5	activity	activity	NOUN
bjp-84324	36	6	relationship	relationship	NOUN
bjp-84324	36	7	analysis	analysis	NOUN
bjp-84324	36	8	and	and	CCONJ
bjp-84324	36	9	molecular	molecular	ADJ
bjp-84324	36	10	docking	docking	NOUN
bjp-84324	36	11	studies	study	NOUN
bjp-84324	36	12	,	,	PUNCT
bjp-84324	36	13	this	this	DET
bjp-84324	36	14	research	research	NOUN
bjp-84324	36	15	identifies	identify	VERB
bjp-84324	36	16	potent	potent	ADJ
bjp-84324	36	17	urease	urease	NOUN
bjp-84324	36	18	inhibitors	inhibitor	NOUN
bjp-84324	36	19	and	and	CCONJ
bjp-84324	36	20	elucidates	elucidate	VERB
bjp-84324	36	21	their	their	PRON
bjp-84324	36	22	mechanisms	mechanism	NOUN
bjp-84324	36	23	of	of	ADP
bjp-84324	36	24	action	action	NOUN
bjp-84324	36	25	.	.	PUNCT
bjp-84324	37	1	in	in	ADP
bjp-84324	37	2	this	this	DET
bjp-84324	37	3	study	study	NOUN
bjp-84324	37	4	,	,	PUNCT
bjp-84324	37	5	racemic	racemic	ADJ
bjp-84324	37	6	triglyceride	triglyceride	ADJ
bjp-84324	37	7	derivatives	derivative	NOUN
bjp-84324	37	8	were	be	AUX
bjp-84324	37	9	synthesized	synthesize	VERB
bjp-84324	37	10	as	as	ADP
bjp-84324	37	11	potential	potential	ADJ
bjp-84324	37	12	inhibitors	inhibitor	NOUN
bjp-84324	37	13	of	of	ADP
bjp-84324	37	14	urease	urease	NOUN
bjp-84324	37	15	and	and	CCONJ
bjp-84324	37	16	structurally	structurally	ADV
bjp-84324	37	17	related	relate	VERB
bjp-84324	37	18	amidohydrolases	amidohydrolase	NOUN
bjp-84324	37	19	.	.	PUNCT
bjp-84324	38	1	many	many	ADJ
bjp-84324	38	2	commercial	commercial	ADJ
bjp-84324	38	3	racemic	racemic	ADJ
bjp-84324	38	4	drugs	drug	NOUN
bjp-84324	38	5	such	such	ADJ
bjp-84324	38	6	as	as	ADP
bjp-84324	38	7	propranolol	propranolol	NOUN
bjp-84324	38	8	,	,	PUNCT
bjp-84324	38	9	ibuprofen	ibuprofen	NOUN
bjp-84324	38	10	,	,	PUNCT
bjp-84324	38	11	warfarin	warfarin	NOUN
bjp-84324	38	12	,	,	PUNCT
bjp-84324	38	13	ketamine	ketamine	PROPN
bjp-84324	38	14	etc	etc	X
bjp-84324	38	15	.	.	X
bjp-84324	38	16	are	be	AUX
bjp-84324	38	17	effective	effective	ADJ
bjp-84324	38	18	,	,	PUNCT
bjp-84324	38	19	simpler	simple	ADJ
bjp-84324	38	20	to	to	PART
bjp-84324	38	21	synthesize	synthesize	VERB
bjp-84324	38	22	,	,	PUNCT
bjp-84324	38	23	with	with	ADP
bjp-84324	38	24	significantly	significantly	ADV
bjp-84324	38	25	reduced	reduce	VERB
bjp-84324	38	26	costs	cost	NOUN
bjp-84324	38	27	associated	associate	VERB
bjp-84324	38	28	with	with	ADP
bjp-84324	38	29	enantiomeric	enantiomeric	ADJ
bjp-84324	38	30	resolution	resolution	NOUN
bjp-84324	38	31	.	.	PUNCT
bjp-84324	39	1	therefore	therefore	ADV
bjp-84324	39	2	,	,	PUNCT
bjp-84324	39	3	individual	individual	ADJ
bjp-84324	39	4	urease	urease	VERB
bjp-84324	39	5	inhibitory	inhibitory	ADJ
bjp-84324	39	6	activity	activity	NOUN
bjp-84324	39	7	of	of	ADP
bjp-84324	39	8	both	both	DET
bjp-84324	39	9	enantiomers	enantiomer	NOUN
bjp-84324	39	10	of	of	ADP
bjp-84324	39	11	the	the	DET
bjp-84324	39	12	lead	lead	ADJ
bjp-84324	39	13	molecule	molecule	NOUN
bjp-84324	39	14	(	(	PUNCT
bjp-84324	39	15	10a	10a	NOUN
bjp-84324	39	16	)	)	PUNCT
bjp-84324	39	17	was	be	AUX
bjp-84324	39	18	evaluated	evaluate	VERB
bjp-84324	39	19	against	against	ADP
bjp-84324	39	20	thiourea	thiourea	NOUN
bjp-84324	39	21	as	as	ADP
bjp-84324	39	22	a	a	DET
bjp-84324	39	23	standard	standard	ADJ
bjp-84324	39	24	reference	reference	NOUN
bjp-84324	39	25	,	,	PUNCT
bjp-84324	39	26	employing	employ	VERB
bjp-84324	39	27	a	a	DET
bjp-84324	39	28	molecular	molecular	ADJ
bjp-84324	39	29	dynamics	dynamic	NOUN
bjp-84324	39	30	-	-	PUNCT
bjp-84324	39	31	based	base	VERB
bjp-84324	39	32	ligand	ligand	NOUN
bjp-84324	39	33	scoring	scoring	NOUN
bjp-84324	39	34	methodology	methodology	NOUN
bjp-84324	39	35	as	as	ADP
bjp-84324	39	36	previously	previously	ADV
bjp-84324	39	37	developed	develop	VERB
bjp-84324	39	38	(	(	PUNCT
bjp-84324	39	39	sheikh	sheikh	NOUN
bjp-84324	39	40	et	et	PROPN
bjp-84324	39	41	al	al	PROPN
bjp-84324	39	42	.	.	PROPN
bjp-84324	39	43	,	,	PUNCT
bjp-84324	39	44	2024	2024	NUM
bjp-84324	39	45	)	)	PUNCT
bjp-84324	39	46	.	.	PUNCT
bjp-84324	40	1	this	this	DET
bjp-84324	40	2	approach	approach	NOUN
bjp-84324	40	3	enables	enable	VERB
bjp-84324	40	4	relative	relative	ADJ
bjp-84324	40	5	evaluation	evaluation	NOUN
bjp-84324	40	6	of	of	ADP
bjp-84324	40	7	enantiomers	enantiomer	NOUN
bjp-84324	40	8	within	within	ADP
bjp-84324	40	9	the	the	DET
bjp-84324	40	10	same	same	ADJ
bjp-84324	40	11	dynamic	dynamic	ADJ
bjp-84324	40	12	environment	environment	NOUN
bjp-84324	40	13	,	,	PUNCT
bjp-84324	40	14	confirming	confirm	VERB
bjp-84324	40	15	whether	whether	SCONJ
bjp-84324	40	16	the	the	DET
bjp-84324	40	17	(	(	PUNCT
bjp-84324	40	18	±	±	NOUN
bjp-84324	40	19	)	)	PUNCT
bjp-84324	40	20	racemate	racemate	NOUN
bjp-84324	40	21	is	be	AUX
bjp-84324	40	22	sufficient	sufficient	ADJ
bjp-84324	40	23	for	for	ADP
bjp-84324	40	24	bioactivity	bioactivity	NOUN
bjp-84324	40	25	or	or	CCONJ
bjp-84324	40	26	requires	require	VERB
bjp-84324	40	27	costly	costly	ADJ
bjp-84324	40	28	resolution	resolution	NOUN
bjp-84324	40	29	into	into	ADP
bjp-84324	40	30	pure	pure	ADJ
bjp-84324	40	31	isomers	isomer	NOUN
bjp-84324	40	32	and	and	CCONJ
bjp-84324	40	33	thus	thus	ADV
bjp-84324	40	34	providing	provide	VERB
bjp-84324	40	35	a	a	DET
bjp-84324	40	36	foundation	foundation	NOUN
bjp-84324	40	37	for	for	ADP
bjp-84324	40	38	future	future	ADJ
bjp-84324	40	39	scaffold	scaffold	NOUN
bjp-84324	40	40	optimization	optimization	NOUN
bjp-84324	40	41	.	.	PUNCT
bjp-84324	41	1	materials	material	NOUN
bjp-84324	41	2	and	and	CCONJ
bjp-84324	41	3	methods	method	NOUN
bjp-84324	41	4	chemicals	chemical	NOUN
bjp-84324	41	5	and	and	CCONJ
bjp-84324	41	6	apparatus	apparatus	NOUN
bjp-84324	41	7	solvents	solvent	NOUN
bjp-84324	41	8	and	and	CCONJ
bjp-84324	41	9	reagents	reagent	NOUN
bjp-84324	41	10	used	use	VERB
bjp-84324	41	11	in	in	ADP
bjp-84324	41	12	the	the	DET
bjp-84324	41	13	synthesis	synthesis	NOUN
bjp-84324	41	14	scheme	scheme	NOUN
bjp-84324	41	15	were	be	AUX
bjp-84324	41	16	of	of	ADP
bjp-84324	41	17	analytical	analytical	ADJ
bjp-84324	41	18	grade	grade	NOUN
bjp-84324	41	19	.	.	PUNCT
bjp-84324	42	1	cyclohexanecarboxylic	cyclohexanecarboxylic	ADJ
bjp-84324	42	2	acid	acid	PROPN
bjp-84324	42	3	,	,	PUNCT
bjp-84324	42	4	cyclopentanecarboxylic	cyclopentanecarboxylic	ADJ
bjp-84324	42	5	acid	acid	NOUN
bjp-84324	42	6	,	,	PUNCT
bjp-84324	42	7	cyclobutanecarboxylic	cyclobutanecarboxylic	ADJ
bjp-84324	42	8	acid	acid	NOUN
bjp-84324	42	9	,	,	PUNCT
bjp-84324	42	10	1,1′-carbonyldiimidazole	1,1′-carbonyldiimidazole	NUM
bjp-84324	42	11	,	,	PUNCT
bjp-84324	42	12	tetrahydrofuran	tetrahydrofuran	NOUN
bjp-84324	42	13	,	,	PUNCT
bjp-84324	42	14	triethylamine	triethylamine	NOUN
bjp-84324	42	15	base	base	NOUN
bjp-84324	42	16	,	,	PUNCT
bjp-84324	42	17	ethyl	ethyl	PROPN
bjp-84324	42	18	acetate	acetate	NOUN
bjp-84324	42	19	,	,	PUNCT
bjp-84324	42	20	and	and	CCONJ
bjp-84324	42	21	jack	jack	PROPN
bjp-84324	42	22	bean	bean	PROPN
bjp-84324	42	23	urease	urease	NOUN
bjp-84324	42	24	enzyme	enzyme	NOUN
bjp-84324	42	25	were	be	AUX
bjp-84324	42	26	procured	procure	VERB
bjp-84324	42	27	from	from	ADP
bjp-84324	42	28	sigma	sigma	PROPN
bjp-84324	42	29	-	-	PUNCT
bjp-84324	42	30	aldrich	aldrich	PROPN
bjp-84324	42	31	,	,	PUNCT
bjp-84324	42	32	usa	usa	PROPN
bjp-84324	42	33	.	.	PROPN
bjp-84324	42	34	sodium	sodium	NOUN
bjp-84324	42	35	carbonate	carbonate	NOUN
bjp-84324	42	36	was	be	AUX
bjp-84324	42	37	procured	procure	VERB
bjp-84324	42	38	from	from	ADP
bjp-84324	42	39	merck	merck	PROPN
bjp-84324	42	40	millipore	millipore	PROPN
bjp-84324	42	41	,	,	PUNCT
bjp-84324	42	42	germany	germany	PROPN
bjp-84324	42	43	.	.	PUNCT
bjp-84324	43	1	the	the	DET
bjp-84324	43	2	mass	mass	PROPN
bjp-84324	43	3	spectra	spectra	NOUN
bjp-84324	43	4	were	be	AUX
bjp-84324	43	5	recorded	record	VERB
bjp-84324	43	6	on	on	ADP
bjp-84324	43	7	mat	mat	NOUN
bjp-84324	43	8	312	312	NUM
bjp-84324	43	9	and	and	CCONJ
bjp-84324	43	10	mat	mat	NOUN
bjp-84324	43	11	113d	113d	NOUN
bjp-84324	43	12	mass	mass	NOUN
bjp-84324	43	13	spectrometers	spectrometer	NOUN
bjp-84324	43	14	(	(	PUNCT
bjp-84324	43	15	varian	varian	PROPN
bjp-84324	43	16	,	,	PUNCT
bjp-84324	43	17	usa	usa	PROPN
bjp-84324	43	18	)	)	PUNCT
bjp-84324	43	19	.	.	PUNCT
bjp-84324	44	1	the	the	DET
bjp-84324	44	2	ir	ir	PROPN
bjp-84324	44	3	spectra	spectra	PROPN
bjp-84324	44	4	were	be	AUX
bjp-84324	44	5	recorded	record	VERB
bjp-84324	44	6	on	on	ADP
bjp-84324	44	7	a	a	DET
bjp-84324	44	8	bruker	bruker	ADJ
bjp-84324	44	9	atr	atr	ADJ
bjp-84324	44	10	-	-	ADJ
bjp-84324	44	11	alpha	alpha	ADJ
bjp-84324	44	12	spectrophotometer	spectrophotometer	NOUN
bjp-84324	44	13	(	(	PUNCT
bjp-84324	44	14	bruker	bruker	PROPN
bjp-84324	44	15	optics	optic	NOUN
bjp-84324	44	16	gmbh	gmbh	PROPN
bjp-84324	44	17	,	,	PUNCT
bjp-84324	44	18	germany	germany	PROPN
bjp-84324	44	19	)	)	PUNCT
bjp-84324	44	20	.	.	PUNCT
bjp-84324	45	1	the	the	DET
bjp-84324	45	2	¹³c	¹³c	PROPN
bjp-84324	45	3	nmr	nmr	NOUN
bjp-84324	45	4	spectra	spectra	NOUN
bjp-84324	45	5	were	be	AUX
bjp-84324	45	6	recorded	record	VERB
bjp-84324	45	7	on	on	ADP
bjp-84324	45	8	a	a	DET
bjp-84324	45	9	bruker	bruker	PROPN
bjp-84324	45	10	avance	avance	NOUN
bjp-84324	45	11	neo	neo	NOUN
bjp-84324	45	12	400	400	NUM
bjp-84324	45	13	mhz	mhz	NOUN
bjp-84324	45	14	spectrometer	spectrometer	NOUN
bjp-84324	45	15	(	(	PUNCT
bjp-84324	45	16	bruker	bruker	VERB
bjp-84324	45	17	biospin	biospin	PROPN
bjp-84324	45	18	gmbh	gmbh	PROPN
bjp-84324	45	19	,	,	PUNCT
bjp-84324	45	20	germany	germany	PROPN
bjp-84324	45	21	)	)	PUNCT
bjp-84324	45	22	using	use	VERB
bjp-84324	45	23	cdcl₃	cdcl₃	NOUN
bjp-84324	45	24	as	as	ADP
bjp-84324	45	25	solvent	solvent	NOUN
bjp-84324	45	26	(	(	PUNCT
bjp-84324	45	27	sigma	sigma	PROPN
bjp-84324	45	28	-	-	PUNCT
bjp-84324	45	29	aldrich	aldrich	PROPN
bjp-84324	45	30	,	,	PUNCT
bjp-84324	45	31	usa	usa	PROPN
bjp-84324	45	32	)	)	PUNCT
bjp-84324	45	33	,	,	PUNCT
bjp-84324	45	34	while	while	SCONJ
bjp-84324	45	35	trimethylsilane	trimethylsilane	NOUN
bjp-84324	45	36	[	[	X
bjp-84324	45	37	si(ch₃)₄	si(ch₃)₄	X
bjp-84324	45	38	]	]	X
bjp-84324	45	39	(	(	PUNCT
bjp-84324	45	40	sigma	sigma	PROPN
bjp-84324	45	41	-	-	PUNCT
bjp-84324	45	42	aldrich	aldrich	PROPN
bjp-84324	45	43	,	,	PUNCT
bjp-84324	45	44	usa	usa	PROPN
bjp-84324	45	45	)	)	PUNCT
bjp-84324	45	46	was	be	AUX
bjp-84324	45	47	used	use	VERB
bjp-84324	45	48	as	as	ADP
bjp-84324	45	49	an	an	DET
bjp-84324	45	50	internal	internal	ADJ
bjp-84324	45	51	standard	standard	NOUN
bjp-84324	45	52	.	.	PUNCT
bjp-84324	46	1	reaction	reaction	NOUN
bjp-84324	46	2	progress	progress	NOUN
bjp-84324	46	3	was	be	AUX
bjp-84324	46	4	evaluated	evaluate	VERB
bjp-84324	46	5	on	on	ADP
bjp-84324	46	6	thin	thin	ADJ
bjp-84324	46	7	-	-	PUNCT
bjp-84324	46	8	layer	layer	NOUN
bjp-84324	46	9	chromatography	chromatography	NOUN
bjp-84324	46	10	using	use	VERB
bjp-84324	46	11	merck	merck	NOUN
bjp-84324	46	12	pre	pre	ADJ
bjp-84324	46	13	-	-	ADJ
bjp-84324	46	14	coated	coated	ADJ
bjp-84324	46	15	silica	silica	NOUN
bjp-84324	46	16	gel	gel	NOUN
bjp-84324	46	17	60	60	NUM
bjp-84324	46	18	f₂₅₄	f₂₅₄	NUM
bjp-84324	46	19	20	20	NUM
bjp-84324	46	20	×	×	NOUN
bjp-84324	46	21	20	20	NUM
bjp-84324	46	22	cm	cm	NOUN
bjp-84324	46	23	aluminum	aluminum	NOUN
bjp-84324	46	24	sheets	sheet	NOUN
bjp-84324	46	25	(	(	PUNCT
bjp-84324	46	26	merck	merck	PROPN
bjp-84324	46	27	kgaa	kgaa	PROPN
bjp-84324	46	28	,	,	PUNCT
bjp-84324	46	29	germany	germany	PROPN
bjp-84324	46	30	)	)	PUNCT
bjp-84324	46	31	.	.	PUNCT
bjp-84324	47	1	spots	spot	NOUN
bjp-84324	47	2	were	be	AUX
bjp-84324	47	3	visualized	visualize	VERB
bjp-84324	47	4	under	under	ADP
bjp-84324	47	5	uv	uv	NOUN
bjp-84324	47	6	light	light	NOUN
bjp-84324	47	7	at	at	ADP
bjp-84324	47	8	254	254	NUM
bjp-84324	47	9	and	and	CCONJ
bjp-84324	47	10	366	366	NUM
bjp-84324	47	11	nm	nm	NOUN
bjp-84324	47	12	.	.	PUNCT
bjp-84324	48	1	synthesis	synthesis	NOUN
bjp-84324	48	2	of	of	ADP
bjp-84324	48	3	compounds	compound	NOUN
bjp-84324	48	4	(	(	PUNCT
bjp-84324	48	5	10a	10a	NOUN
bjp-84324	48	6	-	-	PUNCT
bjp-84324	48	7	c	c	NOUN
bjp-84324	48	8	)	)	PUNCT
bjp-84324	48	9	monoglycerides	monoglyceride	NOUN
bjp-84324	48	10	were	be	AUX
bjp-84324	48	11	synthesized	synthesize	VERB
bjp-84324	48	12	by	by	ADP
bjp-84324	48	13	esterification	esterification	NOUN
bjp-84324	48	14	of	of	ADP
bjp-84324	48	15	partially	partially	ADV
bjp-84324	48	16	protecting	protect	VERB
bjp-84324	48	17	glycerol	glycerol	NOUN
bjp-84324	48	18	i.e.	i.e.	X
bjp-84324	48	19	solketal	solketal	NOUN
bjp-84324	48	20	(	(	PUNCT
bjp-84324	48	21	3	3	NUM
bjp-84324	48	22	)	)	PUNCT
bjp-84324	48	23	with	with	ADP
bjp-84324	48	24	4(dimethylamino	4(dimethylamino	NOUN
bjp-84324	48	25	)	)	PUNCT
bjp-84324	48	26	benzoic	benzoic	NOUN
bjp-84324	48	27	acid	acid	NOUN
bjp-84324	48	28	(	(	PUNCT
bjp-84324	48	29	6	6	NUM
bjp-84324	48	30	)	)	PUNCT
bjp-84324	48	31	,	,	PUNCT
bjp-84324	48	32	followed	follow	VERB
bjp-84324	48	33	by	by	ADP
bjp-84324	48	34	acidic	acidic	ADJ
bjp-84324	48	35	deprotection	deprotection	NOUN
bjp-84324	48	36	to	to	PART
bjp-84324	48	37	yield	yield	VERB
bjp-84324	48	38	compound	compound	NOUN
bjp-84324	48	39	(	(	PUNCT
bjp-84324	48	40	8)	8)	NUM
bjp-84324	48	41	.	.	PUNCT
bjp-84324	48	42	triglycerides	triglyceride	NOUN
bjp-84324	48	43	(	(	PUNCT
bjp-84324	48	44	10ac	10ac	NOUN
bjp-84324	48	45	)	)	PUNCT
bjp-84324	48	46	were	be	AUX
bjp-84324	48	47	subsequently	subsequently	ADV
bjp-84324	48	48	synthesized	synthesize	VERB
bjp-84324	48	49	through	through	ADP
bjp-84324	48	50	esterification	esterification	NOUN
bjp-84324	48	51	process	process	NOUN
bjp-84324	48	52	using	use	VERB
bjp-84324	48	53	1,1′-carbonyldiimidazole	1,1′-carbonyldiimidazole	PROPN
bjp-84324	48	54	as	as	ADP
bjp-84324	48	55	an	an	DET
bjp-84324	48	56	activating	activating	ADJ
bjp-84324	48	57	agent	agent	NOUN
bjp-84324	48	58	(	(	PUNCT
bjp-84324	48	59	figure	figure	NOUN
bjp-84324	48	60	1	1	NUM
bjp-84324	48	61	;	;	PUNCT
bjp-84324	48	62	arshad	arshad	PROPN
bjp-84324	48	63	et	et	PROPN
bjp-84324	48	64	al	al	PROPN
bjp-84324	48	65	.	.	PROPN
bjp-84324	48	66	,	,	PUNCT
bjp-84324	48	67	2018	2018	NUM
bjp-84324	48	68	)	)	PUNCT
bjp-84324	48	69	.	.	PUNCT
bjp-84324	49	1	synthesis	synthesis	NOUN
bjp-84324	49	2	scheme	scheme	NOUN
bjp-84324	49	3	and	and	CCONJ
bjp-84324	49	4	characterization	characterization	NOUN
bjp-84324	49	5	of	of	ADP
bjp-84324	49	6	compound	compound	NOUN
bjp-84324	49	7	(	(	PUNCT
bjp-84324	49	8	8)	8)	NUM
bjp-84324	49	9	had	have	AUX
bjp-84324	49	10	been	be	AUX
bjp-84324	49	11	reported	report	VERB
bjp-84324	49	12	in	in	ADP
bjp-84324	49	13	previously	previously	ADV
bjp-84324	49	14	reported	report	VERB
bjp-84324	49	15	derivatives	derivative	NOUN
bjp-84324	49	16	(	(	PUNCT
bjp-84324	49	17	sheikh	sheikh	NOUN
bjp-84324	49	18	and	and	CCONJ
bjp-84324	49	19	kazmi	kazmi	PROPN
bjp-84324	49	20	,	,	PUNCT
bjp-84324	49	21	2017	2017	NUM
bjp-84324	49	22	)	)	PUNCT
bjp-84324	49	23	.	.	PUNCT
bjp-84324	50	1	in	in	ADP
bjp-84324	50	2	a	a	DET
bjp-84324	50	3	round	round	ADJ
bjp-84324	50	4	-	-	PUNCT
bjp-84324	50	5	bottom	bottom	NOUN
bjp-84324	50	6	flask	flask	NOUN
bjp-84324	50	7	,	,	PUNCT
bjp-84324	50	8	10	10	NUM
bjp-84324	50	9	mmol	mmol	NOUN
bjp-84324	50	10	of	of	ADP
bjp-84324	50	11	acid	acid	PROPN
bjp-84324	50	12	(	(	PUNCT
bjp-84324	50	13	cyclohexanecarboxylic	cyclohexanecarboxylic	NOUN
bjp-84324	50	14	acid	acid	PROPN
bjp-84324	50	15	(	(	PUNCT
bjp-84324	50	16	9a	9a	NUM
bjp-84324	50	17	)	)	PUNCT
bjp-84324	50	18	,	,	PUNCT
bjp-84324	50	19	cyclopentanecarboxylic	cyclopentanecarboxylic	ADJ
bjp-84324	50	20	acid	acid	NOUN
bjp-84324	50	21	(	(	PUNCT
bjp-84324	50	22	9b	9b	NUM
bjp-84324	50	23	)	)	PUNCT
bjp-84324	50	24	,	,	PUNCT
bjp-84324	50	25	cyclobutanecarboxylic	cyclobutanecarboxylic	ADJ
bjp-84324	50	26	acid	acid	NOUN
bjp-84324	50	27	(	(	PUNCT
bjp-84324	50	28	9c	9c	NUM
bjp-84324	50	29	)	)	PUNCT
bjp-84324	50	30	,	,	PUNCT
bjp-84324	50	31	and	and	CCONJ
bjp-84324	50	32	10	10	NUM
bjp-84324	50	33	mmol	mmol	NOUN
bjp-84324	50	34	of	of	ADP
bjp-84324	50	35	1,1′-carbonyldiimidazole	1,1′-carbonyldiimidazole	PROPN
bjp-84324	50	36	were	be	AUX
bjp-84324	50	37	added	add	VERB
bjp-84324	50	38	with	with	ADP
bjp-84324	50	39	50	50	NUM
bjp-84324	50	40	ml	ml	NOUN
bjp-84324	50	41	of	of	ADP
bjp-84324	50	42	tetrahydrofuran	tetrahydrofuran	NOUN
bjp-84324	50	43	as	as	ADP
bjp-84324	50	44	a	a	DET
bjp-84324	50	45	solvent	solvent	NOUN
bjp-84324	50	46	.	.	PUNCT
bjp-84324	51	1	after	after	ADP
bjp-84324	51	2	2	2	NUM
bjp-84324	51	3	hours	hour	NOUN
bjp-84324	51	4	of	of	ADP
bjp-84324	51	5	stirring	stirring	NOUN
bjp-84324	51	6	,	,	PUNCT
bjp-84324	51	7	2.5	2.5	NUM
bjp-84324	51	8	mmol	mmol	NOUN
bjp-84324	51	9	of	of	ADP
bjp-84324	51	10	compound	compound	NOUN
bjp-84324	51	11	(	(	PUNCT
bjp-84324	51	12	8)	8)	NUM
bjp-84324	51	13	was	be	AUX
bjp-84324	51	14	added	add	VERB
bjp-84324	51	15	into	into	ADP
bjp-84324	51	16	the	the	DET
bjp-84324	51	17	reaction	reaction	NOUN
bjp-84324	51	18	along	along	ADP
bjp-84324	51	19	with	with	ADP
bjp-84324	51	20	0.52	0.52	NUM
bjp-84324	51	21	ml	ml	NOUN
bjp-84324	51	22	of	of	ADP
bjp-84324	51	23	triethylamine	triethylamine	NOUN
bjp-84324	51	24	base	base	NOUN
bjp-84324	51	25	,	,	PUNCT
bjp-84324	51	26	and	and	CCONJ
bjp-84324	51	27	the	the	DET
bjp-84324	51	28	reaction	reaction	NOUN
bjp-84324	51	29	mixture	mixture	NOUN
bjp-84324	51	30	was	be	AUX
bjp-84324	51	31	allowed	allow	VERB
bjp-84324	51	32	to	to	PART
bjp-84324	51	33	stir	stir	VERB
bjp-84324	51	34	for	for	ADP
bjp-84324	51	35	48	48	NUM
bjp-84324	51	36	hours	hour	NOUN
bjp-84324	51	37	.	.	PUNCT
bjp-84324	52	1	during	during	ADP
bjp-84324	52	2	the	the	DET
bjp-84324	52	3	reaction	reaction	NOUN
bjp-84324	52	4	,	,	PUNCT
bjp-84324	52	5	comparative	comparative	ADJ
bjp-84324	52	6	thin	thin	ADJ
bjp-84324	52	7	-	-	PUNCT
bjp-84324	52	8	layer	layer	NOUN
bjp-84324	52	9	chromatography	chromatography	NOUN
bjp-84324	52	10	was	be	AUX
bjp-84324	52	11	performed	perform	VERB
bjp-84324	52	12	to	to	PART
bjp-84324	52	13	monitor	monitor	VERB
bjp-84324	52	14	the	the	DET
bjp-84324	52	15	reaction	reaction	NOUN
bjp-84324	52	16	.	.	PUNCT
bjp-84324	53	1	after	after	ADP
bjp-84324	53	2	48	48	NUM
bjp-84324	53	3	hours	hour	NOUN
bjp-84324	53	4	,	,	PUNCT
bjp-84324	53	5	all	all	DET
bjp-84324	53	6	solvent	solvent	NOUN
bjp-84324	53	7	was	be	AUX
bjp-84324	53	8	evaporated	evaporate	VERB
bjp-84324	53	9	,	,	PUNCT
bjp-84324	53	10	and	and	CCONJ
bjp-84324	53	11	20	20	NUM
bjp-84324	53	12	ml	ml	NOUN
bjp-84324	53	13	of	of	ADP
bjp-84324	53	14	0.05	0.05	NUM
bjp-84324	53	15	m	m	NOUN
bjp-84324	53	16	solution	solution	NOUN
bjp-84324	53	17	of	of	ADP
bjp-84324	53	18	sodium	sodium	NOUN
bjp-84324	53	19	carbonate	carbonate	NOUN
bjp-84324	53	20	was	be	AUX
bjp-84324	53	21	added	add	VERB
bjp-84324	53	22	to	to	ADP
bjp-84324	53	23	the	the	DET
bjp-84324	53	24	dried	dry	VERB
bjp-84324	53	25	reaction	reaction	NOUN
bjp-84324	53	26	mixture	mixture	NOUN
bjp-84324	53	27	.	.	PUNCT
bjp-84324	54	1	the	the	DET
bjp-84324	54	2	organic	organic	ADJ
bjp-84324	54	3	layer	layer	NOUN
bjp-84324	54	4	was	be	AUX
bjp-84324	54	5	separated	separate	VERB
bjp-84324	54	6	by	by	ADP
bjp-84324	54	7	liquid	liquid	NOUN
bjp-84324	54	8	-	-	PUNCT
bjp-84324	54	9	liquid	liquid	NOUN
bjp-84324	54	10	extraction	extraction	NOUN
bjp-84324	54	11	using	use	VERB
bjp-84324	54	12	3	3	NUM
bjp-84324	54	13	x	x	SYM
bjp-84324	54	14	25	25	NUM
bjp-84324	54	15	ml	ml	NOUN
bjp-84324	54	16	of	of	ADP
bjp-84324	54	17	ethyl	ethyl	PROPN
bjp-84324	54	18	acetate	acetate	PROPN
bjp-84324	54	19	.	.	PUNCT
bjp-84324	55	1	bangladesh	bangladesh	PROPN
bjp-84324	55	2	j	j	PROPN
bjp-84324	55	3	pharmacol	pharmacol	PROPN
bjp-84324	55	4	2025	2025	NUM
bjp-84324	55	5	;	;	PUNCT
bjp-84324	55	6	20	20	NUM
bjp-84324	55	7	:	:	SYM
bjp-84324	55	8	140	140	NUM
bjp-84324	55	9	-	-	SYM
bjp-84324	55	10	149	149	NUM
bjp-84324	55	11	141	141	NUM
bjp-84324	55	12	evaporation	evaporation	NOUN
bjp-84324	55	13	of	of	ADP
bjp-84324	55	14	the	the	DET
bjp-84324	55	15	solvent	solvent	NOUN
bjp-84324	55	16	yielded	yield	VERB
bjp-84324	55	17	the	the	DET
bjp-84324	55	18	triesters	triester	NOUN
bjp-84324	55	19	(	(	PUNCT
bjp-84324	55	20	10a	10a	NOUN
bjp-84324	55	21	–	–	PUNCT
bjp-84324	55	22	c	c	NOUN
bjp-84324	55	23	)	)	PUNCT
bjp-84324	55	24	,	,	PUNCT
bjp-84324	55	25	which	which	PRON
bjp-84324	55	26	were	be	AUX
bjp-84324	55	27	further	far	ADV
bjp-84324	55	28	purified	purify	VERB
bjp-84324	55	29	through	through	ADP
bjp-84324	55	30	column	column	NOUN
bjp-84324	55	31	chromatography	chromatography	NOUN
bjp-84324	55	32	using	use	VERB
bjp-84324	55	33	silica	silica	NOUN
bjp-84324	55	34	gel	gel	NOUN
bjp-84324	55	35	60	60	NUM
bjp-84324	55	36	and	and	CCONJ
bjp-84324	55	37	an	an	DET
bjp-84324	55	38	eluent	eluent	NOUN
bjp-84324	55	39	system	system	NOUN
bjp-84324	55	40	of	of	ADP
bjp-84324	55	41	hexane	hexane	NOUN
bjp-84324	55	42	:	:	PUNCT
bjp-84324	55	43	ethyl	ethyl	PROPN
bjp-84324	55	44	acetate	acetate	NOUN
bjp-84324	55	45	(	(	PUNCT
bjp-84324	55	46	8:2	8:2	NUM
bjp-84324	55	47	)	)	PUNCT
bjp-84324	55	48	.	.	PUNCT
bjp-84324	56	1	the	the	DET
bjp-84324	56	2	ei	ei	PROPN
bjp-84324	56	3	-	-	PUNCT
bjp-84324	56	4	ms	ms	PROPN
bjp-84324	56	5	,	,	PUNCT
bjp-84324	56	6	ft	ft	PROPN
bjp-84324	56	7	-	-	PUNCT
bjp-84324	56	8	ir	ir	NOUN
bjp-84324	56	9	,	,	PUNCT
bjp-84324	56	10	and	and	CCONJ
bjp-84324	56	11	13cnmr	13cnmr	NUM
bjp-84324	56	12	spectra	spectra	PROPN
bjp-84324	56	13	along	along	ADP
bjp-84324	56	14	with	with	ADP
bjp-84324	56	15	the	the	DET
bjp-84324	56	16	elemental	elemental	ADJ
bjp-84324	56	17	analysis	analysis	NOUN
bjp-84324	56	18	results	result	NOUN
bjp-84324	56	19	are	be	AUX
bjp-84324	56	20	available	available	ADJ
bjp-84324	56	21	in	in	ADP
bjp-84324	56	22	figure	figure	NOUN
bjp-84324	56	23	s1	s1	NOUN
bjp-84324	56	24	-	-	PUNCT
bjp-84324	56	25	s9	s9	NOUN
bjp-84324	56	26	and	and	CCONJ
bjp-84324	56	27	table	table	NOUN
bjp-84324	56	28	s1	s1	NOUN
bjp-84324	56	29	in	in	ADP
bjp-84324	56	30	supplementary	supplementary	ADJ
bjp-84324	56	31	data	datum	NOUN
bjp-84324	56	32	.	.	PUNCT
bjp-84324	57	1	the	the	DET
bjp-84324	57	2	atomic	atomic	ADJ
bjp-84324	57	3	labels	label	NOUN
bjp-84324	57	4	are	be	AUX
bjp-84324	57	5	provided	provide	VERB
bjp-84324	57	6	table	table	NOUN
bjp-84324	57	7	s2	s2	NOUN
bjp-84324	57	8	in	in	ADP
bjp-84324	57	9	supplementary	supplementary	ADJ
bjp-84324	57	10	data	datum	NOUN
bjp-84324	57	11	.	.	PUNCT
bjp-84324	58	1	urease	urease	VERB
bjp-84324	58	2	inhibition	inhibition	NOUN
bjp-84324	58	3	activity	activity	NOUN
bjp-84324	58	4	jack	jack	NOUN
bjp-84324	58	5	bean	bean	NOUN
bjp-84324	58	6	urease	urease	NOUN
bjp-84324	58	7	enzyme	enzyme	NOUN
bjp-84324	58	8	(	(	PUNCT
bjp-84324	58	9	50,000	50,000	NUM
bjp-84324	58	10	-	-	SYM
bjp-84324	58	11	10000	10000	NUM
bjp-84324	58	12	u	u	NOUN
bjp-84324	58	13	/	/	SYM
bjp-84324	58	14	g	g	PROPN
bjp-84324	58	15	,	,	PUNCT
bjp-84324	58	16	25	25	NUM
bjp-84324	58	17	μl	μl	PRON
bjp-84324	58	18	)	)	PUNCT
bjp-84324	58	19	was	be	AUX
bjp-84324	58	20	used	use	VERB
bjp-84324	58	21	at	at	ADP
bjp-84324	58	22	a	a	DET
bjp-84324	58	23	final	final	ADJ
bjp-84324	58	24	concentration	concentration	NOUN
bjp-84324	58	25	of	of	ADP
bjp-84324	58	26	0.02	0.02	NUM
bjp-84324	58	27	u	u	NOUN
bjp-84324	58	28	/	/	SYM
bjp-84324	58	29	well	well	ADV
bjp-84324	58	30	.	.	PUNCT
bjp-84324	59	1	this	this	PRON
bjp-84324	59	2	was	be	AUX
bjp-84324	59	3	mixed	mix	VERB
bjp-84324	59	4	with	with	ADP
bjp-84324	59	5	55	55	NUM
bjp-84324	59	6	μl	μl	NOUN
bjp-84324	59	7	of	of	ADP
bjp-84324	59	8	buffers	buffer	NOUN
bjp-84324	59	9	containing	contain	VERB
bjp-84324	59	10	100	100	NUM
bjp-84324	59	11	mm	mm	NOUN
bjp-84324	59	12	urea	urea	NOUN
bjp-84324	59	13	and	and	CCONJ
bjp-84324	59	14	were	be	AUX
bjp-84324	59	15	incubated	incubate	VERB
bjp-84324	59	16	with	with	ADP
bjp-84324	59	17	5	5	NUM
bjp-84324	59	18	μl	μl	NOUN
bjp-84324	59	19	of	of	ADP
bjp-84324	59	20	test	test	NOUN
bjp-84324	59	21	compounds	compound	NOUN
bjp-84324	59	22	(	(	PUNCT
bjp-84324	59	23	10a	10a	NOUN
bjp-84324	59	24	-	-	SYM
bjp-84324	59	25	c	c	NOUN
bjp-84324	59	26	;	;	PUNCT
bjp-84324	59	27	1	1	NUM
bjp-84324	59	28	mm	mm	NOUN
bjp-84324	59	29	concentration	concentration	NOUN
bjp-84324	59	30	)	)	PUNCT
bjp-84324	59	31	at	at	ADP
bjp-84324	59	32	serially	serially	ADV
bjp-84324	59	33	diluted	dilute	VERB
bjp-84324	59	34	concentrations	concentration	NOUN
bjp-84324	59	35	ranging	range	VERB
bjp-84324	59	36	from	from	ADP
bjp-84324	59	37	1	1	NUM
bjp-84324	59	38	mm	mm	NOUN
bjp-84324	59	39	to	to	ADP
bjp-84324	59	40	1	1	NUM
bjp-84324	59	41	μm	μm	NOUN
bjp-84324	59	42	in	in	ADP
bjp-84324	59	43	96	96	NUM
bjp-84324	59	44	-	-	PUNCT
bjp-84324	59	45	well	well	NOUN
bjp-84324	59	46	plates	plate	NOUN
bjp-84324	59	47	at	at	ADP
bjp-84324	59	48	30	30	NUM
bjp-84324	59	49	°	°	ADP
bjp-84324	59	50	c	c	NOUN
bjp-84324	59	51	for	for	ADP
bjp-84324	59	52	15	15	NUM
bjp-84324	59	53	min	min	NOUN
bjp-84324	59	54	.	.	PUNCT
bjp-84324	60	1	ic₅₀	ic₅₀	PROPN
bjp-84324	60	2	values	value	NOUN
bjp-84324	60	3	were	be	AUX
bjp-84324	60	4	calculated	calculate	VERB
bjp-84324	60	5	via	via	ADP
bjp-84324	60	6	non	non	ADJ
bjp-84324	60	7	-	-	ADJ
bjp-84324	60	8	linear	linear	ADJ
bjp-84324	60	9	doseresponse	doseresponse	NOUN
bjp-84324	60	10	regression	regression	NOUN
bjp-84324	60	11	using	use	VERB
bjp-84324	60	12	graphpad	graphpad	NOUN
bjp-84324	60	13	prism	prism	NOUN
bjp-84324	60	14	9.0	9.0	NUM
bjp-84324	60	15	.	.	PUNCT
bjp-84324	61	1	urease	urease	NOUN
bjp-84324	61	2	inhibition	inhibition	NOUN
bjp-84324	61	3	was	be	AUX
bjp-84324	61	4	assessed	assess	VERB
bjp-84324	61	5	by	by	ADP
bjp-84324	61	6	measuring	measure	VERB
bjp-84324	61	7	ammonia	ammonia	NOUN
bjp-84324	61	8	production	production	NOUN
bjp-84324	61	9	via	via	ADP
bjp-84324	61	10	the	the	DET
bjp-84324	61	11	indophenol	indophenol	NOUN
bjp-84324	61	12	method	method	NOUN
bjp-84324	61	13	described	describe	VERB
bjp-84324	61	14	previously	previously	ADV
bjp-84324	61	15	(	(	PUNCT
bjp-84324	61	16	weatherburn	weatherburn	NOUN
bjp-84324	61	17	,	,	PUNCT
bjp-84324	61	18	1967	1967	NUM
bjp-84324	61	19	)	)	PUNCT
bjp-84324	61	20	.	.	PUNCT
bjp-84324	62	1	all	all	DET
bjp-84324	62	2	reactions	reaction	NOUN
bjp-84324	62	3	were	be	AUX
bjp-84324	62	4	performed	perform	VERB
bjp-84324	62	5	in	in	ADP
bjp-84324	62	6	triplicate	triplicate	NOUN
bjp-84324	62	7	in	in	ADP
bjp-84324	62	8	a	a	DET
bjp-84324	62	9	final	final	ADJ
bjp-84324	62	10	volume	volume	NOUN
bjp-84324	62	11	of	of	ADP
bjp-84324	62	12	200	200	NUM
bjp-84324	62	13	μl	μl	NOUN
bjp-84324	62	14	.	.	PUNCT
bjp-84324	63	1	rate	rate	NOUN
bjp-84324	63	2	of	of	ADP
bjp-84324	63	3	change	change	NOUN
bjp-84324	63	4	of	of	ADP
bjp-84324	63	5	absorbance	absorbance	NOUN
bjp-84324	63	6	(	(	PUNCT
bjp-84324	63	7	per	per	ADP
bjp-84324	63	8	min	min	NOUN
bjp-84324	63	9	)	)	PUNCT
bjp-84324	63	10	was	be	AUX
bjp-84324	63	11	observed	observe	VERB
bjp-84324	63	12	on	on	ADP
bjp-84324	63	13	using	use	VERB
bjp-84324	63	14	softmax	softmax	NOUN
bjp-84324	63	15	pro	pro	X
bjp-84324	63	16	software	software	NOUN
bjp-84324	63	17	(	(	PUNCT
bjp-84324	63	18	molecular	molecular	ADJ
bjp-84324	63	19	device	device	NOUN
bjp-84324	63	20	,	,	PUNCT
bjp-84324	63	21	usa	usa	PROPN
bjp-84324	63	22	)	)	PUNCT
bjp-84324	63	23	.	.	PUNCT
bjp-84324	64	1	all	all	PRON
bjp-84324	64	2	of	of	ADP
bjp-84324	64	3	the	the	DET
bjp-84324	64	4	assays	assay	NOUN
bjp-84324	64	5	were	be	AUX
bjp-84324	64	6	performed	perform	VERB
bjp-84324	64	7	at	at	ADP
bjp-84324	64	8	ph	ph	PROPN
bjp-84324	64	9	8.2	8.2	NUM
bjp-84324	64	10	(	(	PUNCT
bjp-84324	64	11	0.01	0.01	NUM
bjp-84324	64	12	m	m	PRON
bjp-84324	64	13	k2hpo4.10	k2hpo4.10	PROPN
bjp-84324	64	14	h2o	h2o	PROPN
bjp-84324	64	15	,	,	PUNCT
bjp-84324	64	16	1	1	NUM
bjp-84324	64	17	mm	mm	NUM
bjp-84324	64	18	edta	edta	NOUN
bjp-84324	64	19	,	,	PUNCT
bjp-84324	64	20	and	and	CCONJ
bjp-84324	64	21	0.01	0.01	NUM
bjp-84324	64	22	m	m	NUM
bjp-84324	64	23	licl2	licl2	PROPN
bjp-84324	64	24	)	)	PUNCT
bjp-84324	64	25	.	.	PUNCT
bjp-84324	65	1	%	%	NOUN
bjp-84324	65	2	inhibition	inhibition	NOUN
bjp-84324	65	3	was	be	AUX
bjp-84324	65	4	calculated	calculate	VERB
bjp-84324	65	5	from	from	ADP
bjp-84324	65	6	the	the	DET
bjp-84324	65	7	formula	formula	NOUN
bjp-84324	65	8	:	:	PUNCT
bjp-84324	65	9	=	=	SYM
bjp-84324	65	10	100	100	NUM
bjp-84324	65	11	–	–	PUNCT
bjp-84324	65	12	(	(	PUNCT
bjp-84324	65	13	odtestwell	odtestwell	NOUN
bjp-84324	65	14	/	/	SYM
bjp-84324	65	15	odcontrol	odcontrol	NOUN
bjp-84324	65	16	)	)	PUNCT
bjp-84324	65	17	x	x	SYM
bjp-84324	65	18	100	100	NUM
bjp-84324	65	19	figure	figure	NOUN
bjp-84324	65	20	1	1	NUM
bjp-84324	65	21	:	:	PUNCT
bjp-84324	65	22	synthesis	synthesis	NOUN
bjp-84324	65	23	scheme	scheme	NOUN
bjp-84324	65	24	of	of	ADP
bjp-84324	65	25	mixed	mixed	ADJ
bjp-84324	65	26	triglyceride	triglyceride	ADJ
bjp-84324	65	27	(	(	PUNCT
bjp-84324	65	28	10a	10a	NOUN
bjp-84324	65	29	-	-	SYM
bjp-84324	65	30	c	c	NOUN
bjp-84324	65	31	)	)	PUNCT
bjp-84324	65	32	.	.	PUNCT
bjp-84324	66	1	the	the	DET
bjp-84324	66	2	boxed	box	VERB
bjp-84324	66	3	structure	structure	NOUN
bjp-84324	66	4	highlights	highlight	VERB
bjp-84324	66	5	the	the	DET
bjp-84324	66	6	general	general	ADJ
bjp-84324	66	7	scaffold	scaffold	NOUN
bjp-84324	66	8	of	of	ADP
bjp-84324	66	9	compound	compound	NOUN
bjp-84324	66	10	10	10	NUM
bjp-84324	66	11	,	,	PUNCT
bjp-84324	66	12	showing	show	VERB
bjp-84324	66	13	variable	variable	ADJ
bjp-84324	66	14	acyl	acyl	NOUN
bjp-84324	66	15	groups	group	NOUN
bjp-84324	66	16	(	(	PUNCT
bjp-84324	66	17	r	r	NOUN
bjp-84324	66	18	)	)	PUNCT
bjp-84324	66	19	derived	derive	VERB
bjp-84324	66	20	from	from	ADP
bjp-84324	66	21	9a	9a	NOUN
bjp-84324	66	22	–	–	PUNCT
bjp-84324	66	23	c	c	PROPN
bjp-84324	66	24	142	142	NUM
bjp-84324	66	25	bangladesh	bangladesh	NOUN
bjp-84324	66	26	j	j	PROPN
bjp-84324	66	27	pharmacol	pharmacol	PROPN
bjp-84324	66	28	2025	2025	NUM
bjp-84324	66	29	;	;	PUNCT
bjp-84324	66	30	20	20	NUM
bjp-84324	66	31	:	:	SYM
bjp-84324	66	32	140	140	NUM
bjp-84324	66	33	-	-	SYM
bjp-84324	66	34	149	149	NUM
bjp-84324	66	35	thiourea	thiourea	NOUN
bjp-84324	66	36	was	be	AUX
bjp-84324	66	37	used	use	VERB
bjp-84324	66	38	as	as	ADP
bjp-84324	66	39	the	the	DET
bjp-84324	66	40	standard	standard	ADJ
bjp-84324	66	41	or	or	CCONJ
bjp-84324	66	42	control	control	VERB
bjp-84324	66	43	inhibitor	inhibitor	NOUN
bjp-84324	66	44	of	of	ADP
bjp-84324	66	45	urease	urease	NOUN
bjp-84324	66	46	.	.	PUNCT
bjp-84324	67	1	ic₅₀	ic₅₀	PROPN
bjp-84324	67	2	values	value	NOUN
bjp-84324	67	3	remained	remain	VERB
bjp-84324	67	4	consistent	consistent	ADJ
bjp-84324	67	5	across	across	ADP
bjp-84324	67	6	triplicated	triplicated	ADJ
bjp-84324	67	7	assays	assay	NOUN
bjp-84324	67	8	,	,	PUNCT
bjp-84324	67	9	and	and	CCONJ
bjp-84324	67	10	dose	dose	NOUN
bjp-84324	67	11	-	-	PUNCT
bjp-84324	67	12	response	response	NOUN
bjp-84324	67	13	consistency	consistency	NOUN
bjp-84324	67	14	was	be	AUX
bjp-84324	67	15	verified	verify	VERB
bjp-84324	67	16	within	within	ADP
bjp-84324	67	17	the	the	DET
bjp-84324	67	18	standard	standard	ADJ
bjp-84324	67	19	error	error	NOUN
bjp-84324	67	20	range	range	NOUN
bjp-84324	67	21	.	.	PUNCT
bjp-84324	68	1	replication	replication	NOUN
bjp-84324	68	2	under	under	ADP
bjp-84324	68	3	identical	identical	ADJ
bjp-84324	68	4	assay	assay	NOUN
bjp-84324	68	5	conditions	condition	NOUN
bjp-84324	68	6	was	be	AUX
bjp-84324	68	7	expected	expect	VERB
bjp-84324	68	8	to	to	PART
bjp-84324	68	9	yield	yield	VERB
bjp-84324	68	10	comparable	comparable	ADJ
bjp-84324	68	11	values	value	NOUN
bjp-84324	68	12	.	.	PUNCT
bjp-84324	69	1	docking	docking	NOUN
bjp-84324	69	2	study	study	VERB
bjp-84324	69	3	the	the	DET
bjp-84324	69	4	jack	jack	PROPN
bjp-84324	69	5	bean	bean	PROPN
bjp-84324	69	6	urease	urease	NOUN
bjp-84324	69	7	containing	contain	VERB
bjp-84324	69	8	acetohydroxamic	acetohydroxamic	ADJ
bjp-84324	69	9	acid	acid	NOUN
bjp-84324	69	10	,	,	PUNCT
bjp-84324	69	11	was	be	AUX
bjp-84324	69	12	retrieved	retrieve	VERB
bjp-84324	69	13	from	from	ADP
bjp-84324	69	14	the	the	DET
bjp-84324	69	15	protein	protein	NOUN
bjp-84324	69	16	data	datum	NOUN
bjp-84324	69	17	bank	bank	PROPN
bjp-84324	69	18	(	(	PUNCT
bjp-84324	69	19	pdb	pdb	PROPN
bjp-84324	69	20	i	i	PROPN
bjp-84324	69	21	d	d	PROPN
bjp-84324	69	22	:	:	PUNCT
bjp-84324	69	23	4h9	4h9	NUM
bjp-84324	69	24	m	m	NOUN
bjp-84324	69	25	)	)	PUNCT
bjp-84324	69	26	,	,	PUNCT
bjp-84324	69	27	with	with	ADP
bjp-84324	69	28	a	a	DET
bjp-84324	69	29	resolution	resolution	NOUN
bjp-84324	69	30	of	of	ADP
bjp-84324	69	31	1.52	1.52	NUM
bjp-84324	69	32	å	å	NOUN
bjp-84324	69	33	,	,	PUNCT
bjp-84324	69	34	determined	determine	VERB
bjp-84324	69	35	x	x	ADJ
bjp-84324	69	36	-	-	NOUN
bjp-84324	69	37	ray	ray	NOUN
bjp-84324	69	38	diffraction	diffraction	NOUN
bjp-84324	69	39	.	.	PUNCT
bjp-84324	70	1	the	the	DET
bjp-84324	70	2	pdb	pdb	PROPN
bjp-84324	70	3	file	file	NOUN
bjp-84324	70	4	was	be	AUX
bjp-84324	70	5	assessed	assess	VERB
bjp-84324	70	6	for	for	ADP
bjp-84324	70	7	quality	quality	NOUN
bjp-84324	70	8	using	use	VERB
bjp-84324	70	9	a	a	DET
bjp-84324	70	10	ramachandran	ramachandran	NOUN
bjp-84324	70	11	plot	plot	NOUN
bjp-84324	70	12	(	(	PUNCT
bjp-84324	70	13	ramachandran	ramachandran	PROPN
bjp-84324	70	14	et	et	PROPN
bjp-84324	70	15	al	al	PROPN
bjp-84324	70	16	.	.	PROPN
bjp-84324	70	17	,	,	PUNCT
bjp-84324	70	18	1963	1963	NUM
bjp-84324	70	19	)	)	PUNCT
bjp-84324	70	20	,	,	PUNCT
bjp-84324	70	21	which	which	PRON
bjp-84324	70	22	showed	show	VERB
bjp-84324	70	23	91.1	91.1	NUM
bjp-84324	70	24	%	%	NOUN
bjp-84324	70	25	of	of	ADP
bjp-84324	70	26	residues	residue	NOUN
bjp-84324	70	27	in	in	ADP
bjp-84324	70	28	the	the	DET
bjp-84324	70	29	most	most	ADV
bjp-84324	70	30	favored	favor	VERB
bjp-84324	70	31	regions	region	NOUN
bjp-84324	70	32	and	and	CCONJ
bjp-84324	70	33	8.9	8.9	NUM
bjp-84324	70	34	%	%	NOUN
bjp-84324	70	35	in	in	ADP
bjp-84324	70	36	additionally	additionally	ADV
bjp-84324	70	37	allowed	allow	VERB
bjp-84324	70	38	regions	region	NOUN
bjp-84324	70	39	,	,	PUNCT
bjp-84324	70	40	with	with	ADP
bjp-84324	70	41	no	no	DET
bjp-84324	70	42	residues	residue	NOUN
bjp-84324	70	43	in	in	ADP
bjp-84324	70	44	disallowed	disallow	VERB
bjp-84324	70	45	regions	region	NOUN
bjp-84324	70	46	,	,	PUNCT
bjp-84324	70	47	indicating	indicate	VERB
bjp-84324	70	48	a	a	DET
bjp-84324	70	49	highquality	highquality	NOUN
bjp-84324	70	50	receptor	receptor	NOUN
bjp-84324	70	51	structure	structure	NOUN
bjp-84324	70	52	for	for	ADP
bjp-84324	70	53	molecular	molecular	ADJ
bjp-84324	70	54	docking	docking	NOUN
bjp-84324	70	55	studies	study	NOUN
bjp-84324	70	56	.	.	PUNCT
bjp-84324	71	1	the	the	DET
bjp-84324	71	2	original	original	ADJ
bjp-84324	71	3	bound	bind	VERB
bjp-84324	71	4	ligands	ligand	NOUN
bjp-84324	71	5	including	include	VERB
bjp-84324	71	6	acetohydroxamic	acetohydroxamic	ADJ
bjp-84324	71	7	acid	acid	NOUN
bjp-84324	71	8	,	,	PUNCT
bjp-84324	71	9	1,2	1,2	NUM
bjp-84324	71	10	-	-	PUNCT
bjp-84324	71	11	ethanediol	ethanediol	NOUN
bjp-84324	71	12	,	,	PUNCT
bjp-84324	71	13	ni²⁺	ni²⁺	NOUN
bjp-84324	71	14	ions	ion	NOUN
bjp-84324	71	15	,	,	PUNCT
bjp-84324	71	16	and	and	CCONJ
bjp-84324	71	17	h2o	h2o	PROPN
bjp-84324	71	18	molecules	molecule	NOUN
bjp-84324	71	19	were	be	AUX
bjp-84324	71	20	removed	remove	VERB
bjp-84324	71	21	during	during	ADP
bjp-84324	71	22	receptor	receptor	NOUN
bjp-84324	71	23	preparation	preparation	NOUN
bjp-84324	71	24	to	to	PART
bjp-84324	71	25	avoid	avoid	VERB
bjp-84324	71	26	interference	interference	NOUN
bjp-84324	71	27	with	with	ADP
bjp-84324	71	28	ligand	ligand	ADJ
bjp-84324	71	29	binding	bind	VERB
bjp-84324	71	30	analysis	analysis	NOUN
bjp-84324	71	31	.	.	PUNCT
bjp-84324	72	1	h	h	NOUN
bjp-84324	72	2	atoms	atom	NOUN
bjp-84324	72	3	were	be	AUX
bjp-84324	72	4	added	add	VERB
bjp-84324	72	5	using	use	VERB
bjp-84324	72	6	discovery	discovery	NOUN
bjp-84324	72	7	studio	studio	NOUN
bjp-84324	72	8	(	(	PUNCT
bjp-84324	72	9	version	version	NOUN
bjp-84324	72	10	2021	2021	NUM
bjp-84324	72	11	)	)	PUNCT
bjp-84324	72	12	to	to	PART
bjp-84324	72	13	complete	complete	VERB
bjp-84324	72	14	the	the	DET
bjp-84324	72	15	receptor	receptor	NOUN
bjp-84324	72	16	and	and	CCONJ
bjp-84324	72	17	simulate	simulate	VERB
bjp-84324	72	18	a	a	DET
bjp-84324	72	19	physiological	physiological	ADJ
bjp-84324	72	20	binding	bind	VERB
bjp-84324	72	21	environment	environment	NOUN
bjp-84324	72	22	(	(	PUNCT
bjp-84324	72	23	wang	wang	PROPN
bjp-84324	72	24	et	et	PROPN
bjp-84324	72	25	al	al	PROPN
bjp-84324	72	26	.	.	PROPN
bjp-84324	72	27	,	,	PUNCT
bjp-84324	72	28	2015	2015	NUM
bjp-84324	72	29	)	)	PUNCT
bjp-84324	72	30	.	.	PUNCT
bjp-84324	73	1	the	the	DET
bjp-84324	73	2	binding	bind	VERB
bjp-84324	73	3	coordinates	coordinate	NOUN
bjp-84324	73	4	were	be	AUX
bjp-84324	73	5	derived	derive	VERB
bjp-84324	73	6	from	from	ADP
bjp-84324	73	7	the	the	DET
bjp-84324	73	8	active	active	ADJ
bjp-84324	73	9	site	site	NOUN
bjp-84324	73	10	location	location	NOUN
bjp-84324	73	11	of	of	ADP
bjp-84324	73	12	the	the	DET
bjp-84324	73	13	co	co	ADJ
bjp-84324	73	14	-	-	ADJ
bjp-84324	73	15	crystallized	crystallized	ADJ
bjp-84324	73	16	ligand	ligand	NOUN
bjp-84324	73	17	(	(	PUNCT
bjp-84324	73	18	size	size	NOUN
bjp-84324	73	19	:	:	PUNCT
bjp-84324	73	20	30	30	NUM
bjp-84324	73	21	30	30	NUM
bjp-84324	73	22	30	30	NUM
bjp-84324	73	23	,	,	PUNCT
bjp-84324	73	24	center	center	NOUN
bjp-84324	73	25	:	:	PUNCT
bjp-84324	73	26	25.0	25.0	NUM
bjp-84324	73	27	-54.0	-54.0	NUM
bjp-84324	73	28	-25.0	-25.0	NUM
bjp-84324	73	29	)	)	PUNCT
bjp-84324	73	30	.	.	PUNCT
bjp-84324	74	1	the	the	DET
bjp-84324	74	2	optimized	optimize	VERB
bjp-84324	74	3	and	and	CCONJ
bjp-84324	74	4	preprocessed	preprocesse	VERB
bjp-84324	74	5	receptor	receptor	NOUN
bjp-84324	74	6	was	be	AUX
bjp-84324	74	7	saved	save	VERB
bjp-84324	74	8	as	as	ADP
bjp-84324	74	9	a	a	DET
bjp-84324	74	10	pdb	pdb	NOUN
bjp-84324	74	11	file	file	NOUN
bjp-84324	74	12	for	for	ADP
bjp-84324	74	13	docking	dock	VERB
bjp-84324	74	14	input	input	NOUN
bjp-84324	74	15	.	.	PUNCT
bjp-84324	75	1	to	to	PART
bjp-84324	75	2	perform	perform	VERB
bjp-84324	75	3	ligand	ligand	ADJ
bjp-84324	75	4	-	-	PUNCT
bjp-84324	75	5	protein	protein	NOUN
bjp-84324	75	6	docking	docking	NOUN
bjp-84324	75	7	,	,	PUNCT
bjp-84324	75	8	the	the	DET
bjp-84324	75	9	autodock	autodock	NOUN
bjp-84324	75	10	vina	vina	NOUN
bjp-84324	75	11	was	be	AUX
bjp-84324	75	12	employed	employ	VERB
bjp-84324	75	13	(	(	PUNCT
bjp-84324	75	14	gaillard	gaillard	PROPN
bjp-84324	75	15	,	,	PUNCT
bjp-84324	75	16	2018	2018	NUM
bjp-84324	75	17	)	)	PUNCT
bjp-84324	75	18	.	.	PUNCT
bjp-84324	76	1	energy	energy	NOUN
bjp-84324	76	2	minimized	minimize	VERB
bjp-84324	76	3	ligands	ligand	NOUN
bjp-84324	76	4	(	(	PUNCT
bjp-84324	76	5	10a	10a	NOUN
bjp-84324	76	6	-	-	SYM
bjp-84324	76	7	c	c	NOUN
bjp-84324	76	8	)	)	PUNCT
bjp-84324	76	9	were	be	AUX
bjp-84324	76	10	converted	convert	VERB
bjp-84324	76	11	into	into	ADP
bjp-84324	76	12	pdbqt	pdbqt	ADJ
bjp-84324	76	13	format	format	NOUN
bjp-84324	76	14	using	use	VERB
bjp-84324	76	15	autodock	autodock	NOUN
bjp-84324	76	16	tools	tool	NOUN
bjp-84324	76	17	,	,	PUNCT
bjp-84324	76	18	with	with	ADP
bjp-84324	76	19	gasteiger	gasteiger	NOUN
bjp-84324	76	20	charges	charge	NOUN
bjp-84324	76	21	and	and	CCONJ
bjp-84324	76	22	rotatable	rotatable	ADJ
bjp-84324	76	23	bonds	bond	NOUN
bjp-84324	76	24	.	.	PUNCT
bjp-84324	77	1	a	a	DET
bjp-84324	77	2	grid	grid	NOUN
bjp-84324	77	3	box	box	NOUN
bjp-84324	77	4	was	be	AUX
bjp-84324	77	5	defined	define	VERB
bjp-84324	77	6	around	around	ADP
bjp-84324	77	7	the	the	DET
bjp-84324	77	8	binding	bind	VERB
bjp-84324	77	9	site	site	NOUN
bjp-84324	77	10	of	of	ADP
bjp-84324	77	11	acetohydroxamic	acetohydroxamic	PROPN
bjp-84324	77	12	acid	acid	NOUN
bjp-84324	77	13	to	to	PART
bjp-84324	77	14	encompass	encompass	VERB
bjp-84324	77	15	the	the	DET
bjp-84324	77	16	key	key	ADJ
bjp-84324	77	17	catalytic	catalytic	ADJ
bjp-84324	77	18	residues	residue	NOUN
bjp-84324	77	19	.	.	PUNCT
bjp-84324	78	1	each	each	DET
bjp-84324	78	2	ligand	ligand	NOUN
bjp-84324	78	3	was	be	AUX
bjp-84324	78	4	allowed	allow	VERB
bjp-84324	78	5	to	to	PART
bjp-84324	78	6	adapt	adapt	VERB
bjp-84324	78	7	multiple	multiple	ADJ
bjp-84324	78	8	conformations	conformation	NOUN
bjp-84324	78	9	within	within	ADP
bjp-84324	78	10	the	the	DET
bjp-84324	78	11	defined	define	VERB
bjp-84324	78	12	binding	bind	VERB
bjp-84324	78	13	pocket	pocket	NOUN
bjp-84324	78	14	.	.	PUNCT
bjp-84324	79	1	docking	docking	NOUN
bjp-84324	79	2	was	be	AUX
bjp-84324	79	3	conducted	conduct	VERB
bjp-84324	79	4	using	use	VERB
bjp-84324	79	5	default	default	NOUN
bjp-84324	79	6	exhaustiveness	exhaustiveness	NOUN
bjp-84324	79	7	parameters	parameter	NOUN
bjp-84324	79	8	,	,	PUNCT
bjp-84324	79	9	and	and	CCONJ
bjp-84324	79	10	binding	bind	VERB
bjp-84324	79	11	energies	energy	NOUN
bjp-84324	79	12	were	be	AUX
bjp-84324	79	13	ranked	rank	VERB
bjp-84324	79	14	based	base	VERB
bjp-84324	79	15	on	on	ADP
bjp-84324	79	16	the	the	DET
bjp-84324	79	17	lowest	low	ADJ
bjp-84324	79	18	predicted	predict	VERB
bjp-84324	79	19	binding	bind	VERB
bjp-84324	79	20	free	free	ADJ
bjp-84324	79	21	energy	energy	NOUN
bjp-84324	79	22	(	(	PUNCT
bjp-84324	79	23	δg	δg	PROPN
bjp-84324	79	24	,	,	PUNCT
bjp-84324	79	25	kcal	kcal	PROPN
bjp-84324	79	26	/	/	SYM
bjp-84324	79	27	mol	mol	NOUN
bjp-84324	79	28	)	)	PUNCT
bjp-84324	79	29	.	.	PUNCT
bjp-84324	80	1	docked	docked	ADJ
bjp-84324	80	2	complexes	complex	NOUN
bjp-84324	80	3	were	be	AUX
bjp-84324	80	4	visualized	visualize	VERB
bjp-84324	80	5	on	on	ADP
bjp-84324	80	6	ucsf	ucsf	PROPN
bjp-84324	80	7	chimera	chimera	NOUN
bjp-84324	80	8	(	(	PUNCT
bjp-84324	80	9	jonathan	jonathan	PROPN
bjp-84324	80	10	et	et	PROPN
bjp-84324	80	11	al	al	PROPN
bjp-84324	80	12	.	.	PROPN
bjp-84324	80	13	,	,	PUNCT
bjp-84324	80	14	2015	2015	NUM
bjp-84324	80	15	)	)	PUNCT
bjp-84324	80	16	and	and	CCONJ
bjp-84324	80	17	discovery	discovery	NOUN
bjp-84324	80	18	studio	studio	NOUN
bjp-84324	80	19	visualizer	visualizer	NOUN
bjp-84324	80	20	.	.	PUNCT
bjp-84324	81	1	all	all	PRON
bjp-84324	81	2	docking	dock	VERB
bjp-84324	81	3	data	datum	NOUN
bjp-84324	81	4	and	and	CCONJ
bjp-84324	81	5	ligand	ligand	ADJ
bjp-84324	81	6	–	–	PUNCT
bjp-84324	81	7	protein	protein	NOUN
bjp-84324	81	8	interaction	interaction	NOUN
bjp-84324	81	9	files	file	NOUN
bjp-84324	81	10	are	be	AUX
bjp-84324	81	11	provided	provide	VERB
bjp-84324	81	12	in	in	ADP
bjp-84324	81	13	the	the	DET
bjp-84324	81	14	dataset	dataset	NOUN
bjp-84324	81	15	.	.	PUNCT
bjp-84324	82	1	molecular	molecular	ADJ
bjp-84324	82	2	dynamics	dynamic	NOUN
bjp-84324	82	3	-	-	PUNCT
bjp-84324	82	4	based	base	VERB
bjp-84324	82	5	scoring	scoring	NOUN
bjp-84324	82	6	molecular	molecular	ADJ
bjp-84324	82	7	dynamics	dynamic	NOUN
bjp-84324	82	8	run	run	VERB
bjp-84324	82	9	,	,	PUNCT
bjp-84324	82	10	static	static	ADJ
bjp-84324	82	11	factor	factor	NOUN
bjp-84324	82	12	calculation	calculation	NOUN
bjp-84324	82	13	and	and	CCONJ
bjp-84324	82	14	normalization	normalization	NOUN
bjp-84324	82	15	molecular	molecular	ADJ
bjp-84324	82	16	dynamics	dynamic	NOUN
bjp-84324	82	17	simulations	simulation	NOUN
bjp-84324	82	18	were	be	AUX
bjp-84324	82	19	performed	perform	VERB
bjp-84324	82	20	using	use	VERB
bjp-84324	82	21	the	the	DET
bjp-84324	82	22	gromacs	gromacs	ADJ
bjp-84324	82	23	software	software	NOUN
bjp-84324	82	24	package	package	NOUN
bjp-84324	82	25	(	(	PUNCT
bjp-84324	82	26	lemkul	lemkul	ADJ
bjp-84324	82	27	,	,	PUNCT
bjp-84324	82	28	2019	2019	NUM
bjp-84324	82	29	)	)	PUNCT
bjp-84324	82	30	to	to	PART
bjp-84324	82	31	assess	assess	VERB
bjp-84324	82	32	the	the	DET
bjp-84324	82	33	stability	stability	NOUN
bjp-84324	82	34	of	of	ADP
bjp-84324	82	35	docking	docking	NOUN
bjp-84324	82	36	poses	pose	NOUN
bjp-84324	82	37	of	of	ADP
bjp-84324	82	38	ligands	ligand	NOUN
bjp-84324	82	39	10a(r	10a(r	NUM
bjp-84324	82	40	)	)	PUNCT
bjp-84324	82	41	,	,	PUNCT
bjp-84324	82	42	10a(s	10a(s	NUM
bjp-84324	82	43	)	)	PUNCT
bjp-84324	82	44	,	,	PUNCT
bjp-84324	82	45	and	and	CCONJ
bjp-84324	82	46	thiourea	thiourea	NOUN
bjp-84324	82	47	,	,	PUNCT
bjp-84324	82	48	within	within	ADP
bjp-84324	82	49	the	the	DET
bjp-84324	82	50	defined	define	VERB
bjp-84324	82	51	catalytic	catalytic	ADJ
bjp-84324	82	52	pocket	pocket	NOUN
bjp-84324	82	53	of	of	ADP
bjp-84324	82	54	the	the	DET
bjp-84324	82	55	4h9	4h9	NUM
bjp-84324	82	56	m	m	NOUN
bjp-84324	82	57	(	(	PUNCT
bjp-84324	82	58	supplementary	supplementary	ADJ
bjp-84324	82	59	s1	s1	NOUN
bjp-84324	82	60	–	–	PUNCT
bjp-84324	82	61	s19	s19	NOUN
bjp-84324	82	62	)	)	PUNCT
bjp-84324	82	63	.	.	PUNCT
bjp-84324	83	1	the	the	DET
bjp-84324	83	2	charmm2021	charmm2021	PROPN
bjp-84324	83	3	force	force	NOUN
bjp-84324	83	4	field	field	NOUN
bjp-84324	83	5	was	be	AUX
bjp-84324	83	6	used	use	VERB
bjp-84324	83	7	to	to	PART
bjp-84324	83	8	parameterize	parameterize	VERB
bjp-84324	83	9	and	and	CCONJ
bjp-84324	83	10	generate	generate	VERB
bjp-84324	83	11	the	the	DET
bjp-84324	83	12	topologies	topology	NOUN
bjp-84324	83	13	and	and	CCONJ
bjp-84324	83	14	coordinate	coordinate	VERB
bjp-84324	83	15	files	file	NOUN
bjp-84324	83	16	for	for	ADP
bjp-84324	83	17	both	both	CCONJ
bjp-84324	83	18	the	the	DET
bjp-84324	83	19	receptor	receptor	NOUN
bjp-84324	83	20	and	and	CCONJ
bjp-84324	83	21	the	the	DET
bjp-84324	83	22	ligands	ligand	NOUN
bjp-84324	83	23	(	(	PUNCT
bjp-84324	83	24	vanommeslaeghe	vanommeslaeghe	NOUN
bjp-84324	83	25	et	et	PROPN
bjp-84324	83	26	al	al	PROPN
bjp-84324	83	27	.	.	PROPN
bjp-84324	83	28	,	,	PUNCT
bjp-84324	83	29	2010	2010	NUM
bjp-84324	83	30	)	)	PUNCT
bjp-84324	83	31	.	.	PUNCT
bjp-84324	84	1	the	the	DET
bjp-84324	84	2	receptor	receptor	NOUN
bjp-84324	84	3	-	-	PUNCT
bjp-84324	84	4	ligand	ligand	NOUN
bjp-84324	84	5	complex	complex	NOUN
bjp-84324	84	6	was	be	AUX
bjp-84324	84	7	centered	center	VERB
bjp-84324	84	8	in	in	ADP
bjp-84324	84	9	a	a	DET
bjp-84324	84	10	cubic	cubic	ADJ
bjp-84324	84	11	box	box	NOUN
bjp-84324	84	12	,	,	PUNCT
bjp-84324	84	13	with	with	ADP
bjp-84324	84	14	a	a	DET
bjp-84324	84	15	minimum	minimum	ADJ
bjp-84324	84	16	distance	distance	NOUN
bjp-84324	84	17	of	of	ADP
bjp-84324	84	18	1	1	NUM
bjp-84324	84	19	nm	nm	NOUN
bjp-84324	84	20	between	between	ADP
bjp-84324	84	21	the	the	DET
bjp-84324	84	22	complex	complex	ADJ
bjp-84324	84	23	and	and	CCONJ
bjp-84324	84	24	box	box	NOUN
bjp-84324	84	25	edges	edge	NOUN
bjp-84324	84	26	,	,	PUNCT
bjp-84324	84	27	ensuring	ensure	VERB
bjp-84324	84	28	at	at	ADP
bjp-84324	84	29	least	least	ADJ
bjp-84324	84	30	a	a	DET
bjp-84324	84	31	2	2	NUM
bjp-84324	84	32	nm	nm	NOUN
bjp-84324	84	33	boundary	boundary	ADJ
bjp-84324	84	34	clearance	clearance	NOUN
bjp-84324	84	35	.	.	PUNCT
bjp-84324	85	1	the	the	DET
bjp-84324	85	2	solvated	solvate	VERB
bjp-84324	85	3	system	system	NOUN
bjp-84324	85	4	was	be	AUX
bjp-84324	85	5	neutralized	neutralize	VERB
bjp-84324	85	6	with	with	ADP
bjp-84324	85	7	na+	na+	NOUN
bjp-84324	85	8	counter	counter	NOUN
bjp-84324	85	9	ions	ion	NOUN
bjp-84324	85	10	and	and	CCONJ
bjp-84324	85	11	tip3p	tip3p	NUM
bjp-84324	85	12	h2o	h2o	NOUN
bjp-84324	85	13	molecules	molecule	NOUN
bjp-84324	85	14	for	for	ADP
bjp-84324	85	15	solvation	solvation	NOUN
bjp-84324	85	16	.	.	PUNCT
bjp-84324	86	1	the	the	DET
bjp-84324	86	2	solvated	solvate	VERB
bjp-84324	86	3	complex	complex	ADJ
bjp-84324	86	4	underwent	underwent	ADJ
bjp-84324	86	5	energy	energy	NOUN
bjp-84324	86	6	minimization	minimization	NOUN
bjp-84324	86	7	using	use	VERB
bjp-84324	86	8	steepest	steep	ADJ
bjp-84324	86	9	descent	descent	NOUN
bjp-84324	86	10	and	and	CCONJ
bjp-84324	86	11	conjugate	conjugate	ADJ
bjp-84324	86	12	gradient	gradient	ADJ
bjp-84324	86	13	protocols	protocol	NOUN
bjp-84324	86	14	until	until	SCONJ
bjp-84324	86	15	a	a	DET
bjp-84324	86	16	maximum	maximum	ADJ
bjp-84324	86	17	force	force	NOUN
bjp-84324	86	18	threshold	threshold	NOUN
bjp-84324	86	19	of	of	ADP
bjp-84324	86	20	10	10	NUM
bjp-84324	86	21	kj	kj	PROPN
bjp-84324	86	22	/	/	SYM
bjp-84324	86	23	mol	mol	PROPN
bjp-84324	86	24	/	/	SYM
bjp-84324	86	25	nm	nm	NOUN
bjp-84324	86	26	was	be	AUX
bjp-84324	86	27	achieved	achieve	VERB
bjp-84324	86	28	.	.	PUNCT
bjp-84324	87	1	the	the	DET
bjp-84324	87	2	minimized	minimized	ADJ
bjp-84324	87	3	system	system	NOUN
bjp-84324	87	4	was	be	AUX
bjp-84324	87	5	then	then	ADV
bjp-84324	87	6	equilibrated	equilibrate	VERB
bjp-84324	87	7	in	in	ADP
bjp-84324	87	8	an	an	DET
bjp-84324	87	9	nvt	nvt	PROPN
bjp-84324	87	10	ensemble	ensemble	ADJ
bjp-84324	87	11	at	at	ADP
bjp-84324	87	12	300k	300k	NUM
bjp-84324	87	13	,	,	PUNCT
bjp-84324	87	14	followed	follow	VERB
bjp-84324	87	15	by	by	ADP
bjp-84324	87	16	an	an	DET
bjp-84324	87	17	npt	npt	PROPN
bjp-84324	87	18	equilibration	equilibration	NOUN
bjp-84324	87	19	at	at	ADP
bjp-84324	87	20	500	500	NUM
bjp-84324	87	21	psi	psi	NOUN
bjp-84324	87	22	.	.	PUNCT
bjp-84324	88	1	this	this	DET
bjp-84324	88	2	equilibrated	equilibrate	VERB
bjp-84324	88	3	setup	setup	NOUN
bjp-84324	88	4	was	be	AUX
bjp-84324	88	5	subsequently	subsequently	ADV
bjp-84324	88	6	subjected	subject	VERB
bjp-84324	88	7	to	to	ADP
bjp-84324	88	8	a	a	DET
bjp-84324	88	9	15	15	NUM
bjp-84324	88	10	nsec	nsec	ADJ
bjp-84324	88	11	long	long	ADJ
bjp-84324	88	12	molecular	molecular	ADJ
bjp-84324	88	13	dynamics	dynamic	NOUN
bjp-84324	88	14	simulation	simulation	NOUN
bjp-84324	88	15	,	,	PUNCT
bjp-84324	88	16	maintaining	maintain	VERB
bjp-84324	88	17	standard	standard	ADJ
bjp-84324	88	18	electrostatic	electrostatic	ADJ
bjp-84324	88	19	and	and	CCONJ
bjp-84324	88	20	van	van	PROPN
bjp-84324	88	21	der	der	NOUN
bjp-84324	88	22	waals	waal	NOUN
bjp-84324	88	23	cutoffs	cutoff	NOUN
bjp-84324	88	24	.	.	PUNCT
bjp-84324	89	1	the	the	DET
bjp-84324	89	2	calculated	calculate	VERB
bjp-84324	89	3	properties	property	NOUN
bjp-84324	89	4	and	and	CCONJ
bjp-84324	89	5	their	their	PRON
bjp-84324	89	6	plots	plot	NOUN
bjp-84324	89	7	,	,	PUNCT
bjp-84324	89	8	including	include	VERB
bjp-84324	89	9	hydrogen	hydrogen	NOUN
bjp-84324	89	10	-	-	PUNCT
bjp-84324	89	11	bonds	bond	NOUN
bjp-84324	89	12	,	,	PUNCT
bjp-84324	89	13	hydrophobic	hydrophobic	NOUN
bjp-84324	89	14	interactions	interaction	NOUN
bjp-84324	89	15	,	,	PUNCT
bjp-84324	89	16	and	and	CCONJ
bjp-84324	89	17	interaction	interaction	NOUN
bjp-84324	89	18	energies	energy	NOUN
bjp-84324	89	19	i.e.	i.e.	X
bjp-84324	89	20	lennard	lennard	PROPN
bjp-84324	89	21	jones	jones	PROPN
bjp-84324	89	22	(	(	PUNCT
bjp-84324	89	23	elj	elj	PROPN
bjp-84324	89	24	)	)	PUNCT
bjp-84324	89	25	and	and	CCONJ
bjp-84324	89	26	coulombic	coulombic	ADJ
bjp-84324	89	27	(	(	PUNCT
bjp-84324	89	28	ec	ec	PROPN
bjp-84324	89	29	)	)	PUNCT
bjp-84324	89	30	were	be	AUX
bjp-84324	89	31	extracted	extract	VERB
bjp-84324	89	32	from	from	ADP
bjp-84324	89	33	the	the	DET
bjp-84324	89	34	resulting	result	VERB
bjp-84324	89	35	trajectory	trajectory	NOUN
bjp-84324	89	36	files	file	NOUN
bjp-84324	89	37	using	use	VERB
bjp-84324	89	38	a	a	DET
bjp-84324	89	39	set	set	NOUN
bjp-84324	89	40	of	of	ADP
bjp-84324	89	41	gromacs	gromacs	PROPN
bjp-84324	89	42	specific	specific	ADJ
bjp-84324	89	43	linux	linux	PROPN
bjp-84324	89	44	commands	command	NOUN
bjp-84324	89	45	also	also	ADV
bjp-84324	89	46	given	give	VERB
bjp-84324	89	47	in	in	ADP
bjp-84324	89	48	the	the	DET
bjp-84324	89	49	[	[	X
bjp-84324	89	50	(	(	PUNCT
bjp-84324	89	51	equations	equation	NOUN
bjp-84324	89	52	s20	s20	PROPN
bjp-84324	89	53	–	–	PUNCT
bjp-84324	89	54	s27	s27	PROPN
bjp-84324	89	55	and	and	CCONJ
bjp-84324	89	56	figure	figure	VERB
bjp-84324	89	57	s12	s12	PROPN
bjp-84324	89	58	–	–	PUNCT
bjp-84324	89	59	s14	s14	NOUN
bjp-84324	89	60	in	in	ADP
bjp-84324	89	61	supplementary	supplementary	ADJ
bjp-84324	89	62	data	datum	NOUN
bjp-84324	89	63	)	)	PUNCT
bjp-84324	89	64	.	.	PUNCT
bjp-84324	90	1	dynamic	dynamic	ADJ
bjp-84324	90	2	molecular	molecular	ADJ
bjp-84324	90	3	dynamics	dynamic	NOUN
bjp-84324	90	4	property	property	NOUN
bjp-84324	90	5	plots	plot	NOUN
bjp-84324	90	6	were	be	AUX
bjp-84324	90	7	extracted	extract	VERB
bjp-84324	90	8	from	from	ADP
bjp-84324	90	9	gromacs	gromacs	ADJ
bjp-84324	90	10	trajectory	trajectory	NOUN
bjp-84324	90	11	files	file	NOUN
bjp-84324	90	12	(	(	PUNCT
bjp-84324	90	13	.xtc	.xtc	PUNCT
bjp-84324	90	14	)	)	PUNCT
bjp-84324	90	15	and	and	CCONJ
bjp-84324	90	16	visualized	visualize	VERB
bjp-84324	90	17	using	use	VERB
bjp-84324	90	18	matplotlib	matplotlib	PROPN
bjp-84324	90	19	for	for	ADP
bjp-84324	90	20	comparative	comparative	ADJ
bjp-84324	90	21	analysis	analysis	NOUN
bjp-84324	90	22	(	(	PUNCT
bjp-84324	90	23	han	han	PROPN
bjp-84324	90	24	and	and	CCONJ
bjp-84324	90	25	kwak	kwak	PROPN
bjp-84324	90	26	,	,	PUNCT
bjp-84324	90	27	2023	2023	NUM
bjp-84324	90	28	)	)	PUNCT
bjp-84324	90	29	.	.	PUNCT
bjp-84324	91	1	the	the	DET
bjp-84324	91	2	dataset	dataset	NOUN
bjp-84324	91	3	includes	include	VERB
bjp-84324	91	4	all	all	DET
bjp-84324	91	5	necessary	necessary	ADJ
bjp-84324	91	6	molecular	molecular	ADJ
bjp-84324	91	7	dynamics	dynamic	NOUN
bjp-84324	91	8	calculation	calculation	NOUN
bjp-84324	91	9	files	file	NOUN
bjp-84324	91	10	for	for	ADP
bjp-84324	91	11	validation	validation	NOUN
bjp-84324	91	12	and	and	CCONJ
bjp-84324	91	13	analysis	analysis	NOUN
bjp-84324	91	14	including	include	VERB
bjp-84324	91	15	the	the	DET
bjp-84324	91	16	molecular	molecular	ADJ
bjp-84324	91	17	dynamics	dynamic	NOUN
bjp-84324	91	18	trajectory	trajectory	NOUN
bjp-84324	91	19	file	file	NOUN
bjp-84324	91	20	(	(	PUNCT
bjp-84324	91	21	.xtc	.xtc	ADJ
bjp-84324	91	22	)	)	PUNCT
bjp-84324	91	23	,	,	PUNCT
bjp-84324	91	24	final	final	ADJ
bjp-84324	91	25	system	system	NOUN
bjp-84324	91	26	structure	structure	NOUN
bjp-84324	91	27	(	(	PUNCT
bjp-84324	91	28	.pdb	.pdb	PROPN
bjp-84324	91	29	)	)	PUNCT
bjp-84324	91	30	,	,	PUNCT
bjp-84324	91	31	computed	compute	VERB
bjp-84324	91	32	molecular	molecular	ADJ
bjp-84324	91	33	dynamics	dynamic	NOUN
bjp-84324	91	34	properties	property	NOUN
bjp-84324	91	35	data	datum	NOUN
bjp-84324	91	36	(	(	PUNCT
bjp-84324	91	37	.xvg	.xvg	PROPN
bjp-84324	91	38	)	)	PUNCT
bjp-84324	91	39	,	,	PUNCT
bjp-84324	91	40	and	and	CCONJ
bjp-84324	91	41	their	their	PRON
bjp-84324	91	42	plots	plot	NOUN
bjp-84324	91	43	(	(	PUNCT
bjp-84324	91	44	.csv	.csv	NUM
bjp-84324	91	45	)	)	PUNCT
bjp-84324	91	46	.	.	PUNCT
bjp-84324	92	1	additionally	additionally	ADV
bjp-84324	92	2	,	,	PUNCT
bjp-84324	92	3	input	input	NOUN
bjp-84324	92	4	files	file	NOUN
bjp-84324	92	5	(	(	PUNCT
bjp-84324	92	6	.tpr	.tpr	NOUN
bjp-84324	92	7	,	,	PUNCT
bjp-84324	92	8	topol.top	topol.top	NOUN
bjp-84324	92	9	,	,	PUNCT
bjp-84324	92	10	md.mdp	md.mdp	PROPN
bjp-84324	92	11	,	,	PUNCT
bjp-84324	92	12	index.ndx	index.ndx	X
bjp-84324	92	13	,	,	PUNCT
bjp-84324	92	14	npt.gro	npt.gro	NOUN
bjp-84324	92	15	)	)	PUNCT
bjp-84324	92	16	are	be	AUX
bjp-84324	92	17	provided	provide	VERB
bjp-84324	92	18	to	to	PART
bjp-84324	92	19	enable	enable	VERB
bjp-84324	92	20	reproduction	reproduction	NOUN
bjp-84324	92	21	of	of	ADP
bjp-84324	92	22	the	the	DET
bjp-84324	92	23	molecular	molecular	ADJ
bjp-84324	92	24	dynamics	dynamic	NOUN
bjp-84324	92	25	analysis	analysis	NOUN
bjp-84324	92	26	.	.	PUNCT
bjp-84324	93	1	these	these	DET
bjp-84324	93	2	files	file	NOUN
bjp-84324	93	3	can	can	AUX
bjp-84324	93	4	be	be	AUX
bjp-84324	93	5	used	use	VERB
bjp-84324	93	6	to	to	PART
bjp-84324	93	7	re	re	VERB
bjp-84324	93	8	-	-	VERB
bjp-84324	93	9	run	run	ADJ
bjp-84324	93	10	calculation	calculation	NOUN
bjp-84324	93	11	of	of	ADP
bjp-84324	93	12	number	number	NOUN
bjp-84324	93	13	of	of	ADP
bjp-84324	93	14	hydrogen	hydrogen	NOUN
bjp-84324	93	15	-	-	PUNCT
bjp-84324	93	16	bonds	bond	NOUN
bjp-84324	93	17	(	(	PUNCT
bjp-84324	93	18	within	within	ADP
bjp-84324	93	19	0.35	0.35	NUM
bjp-84324	93	20	nm	nm	NOUN
bjp-84324	93	21	)	)	PUNCT
bjp-84324	93	22	,	,	PUNCT
bjp-84324	93	23	hydrophobic	hydrophobic	NOUN
bjp-84324	93	24	interactions	interaction	NOUN
bjp-84324	93	25	,	,	PUNCT
bjp-84324	93	26	and	and	CCONJ
bjp-84324	93	27	interaction	interaction	NOUN
bjp-84324	93	28	energies	energy	NOUN
bjp-84324	93	29	(	(	PUNCT
bjp-84324	93	30	elj	elj	NOUN
bjp-84324	93	31	and	and	CCONJ
bjp-84324	93	32	ec	ec	PROPN
bjp-84324	93	33	)	)	PUNCT
bjp-84324	93	34	.	.	PUNCT
bjp-84324	94	1	static	static	ADJ
bjp-84324	94	2	factors	factor	NOUN
bjp-84324	94	3	,	,	PUNCT
bjp-84324	94	4	such	such	ADJ
bjp-84324	94	5	as	as	ADP
bjp-84324	94	6	standard	standard	ADJ
bjp-84324	94	7	deviation	deviation	NOUN
bjp-84324	94	8	and	and	CCONJ
bjp-84324	94	9	averages	average	NOUN
bjp-84324	94	10	were	be	AUX
bjp-84324	94	11	calculated	calculate	VERB
bjp-84324	94	12	for	for	ADP
bjp-84324	94	13	each	each	DET
bjp-84324	94	14	molecular	molecular	ADJ
bjp-84324	94	15	dynamics	dynamic	NOUN
bjp-84324	94	16	property	property	NOUN
bjp-84324	94	17	i.e.	i.e.	X
bjp-84324	94	18	hydrogen	hydrogen	NOUN
bjp-84324	94	19	-	-	PUNCT
bjp-84324	94	20	bonds	bond	NOUN
bjp-84324	94	21	,	,	PUNCT
bjp-84324	94	22	hydrophobic	hydrophobic	NOUN
bjp-84324	94	23	interactions	interaction	NOUN
bjp-84324	94	24	,	,	PUNCT
bjp-84324	94	25	and	and	CCONJ
bjp-84324	94	26	interaction	interaction	NOUN
bjp-84324	94	27	energies	energy	NOUN
bjp-84324	94	28	i.e.	i.e.	X
bjp-84324	94	29	lennard	lennard	PROPN
bjp-84324	94	30	jones	jones	PROPN
bjp-84324	94	31	(	(	PUNCT
bjp-84324	94	32	elj	elj	PROPN
bjp-84324	94	33	)	)	PUNCT
bjp-84324	94	34	and	and	CCONJ
bjp-84324	94	35	coulombic	coulombic	ADJ
bjp-84324	94	36	(	(	PUNCT
bjp-84324	94	37	ec	ec	PROPN
bjp-84324	94	38	)	)	PUNCT
bjp-84324	94	39	energies	energy	NOUN
bjp-84324	94	40	.	.	PUNCT
bjp-84324	95	1	this	this	PRON
bjp-84324	95	2	provided	provide	VERB
bjp-84324	95	3	a	a	DET
bjp-84324	95	4	single	single	ADJ
bjp-84324	95	5	representative	representative	ADJ
bjp-84324	95	6	value	value	NOUN
bjp-84324	95	7	for	for	ADP
bjp-84324	95	8	the	the	DET
bjp-84324	95	9	dynamic	dynamic	ADJ
bjp-84324	95	10	data	datum	NOUN
bjp-84324	95	11	of	of	ADP
bjp-84324	95	12	the	the	DET
bjp-84324	95	13	molecular	molecular	ADJ
bjp-84324	95	14	dynamics	dynamic	NOUN
bjp-84324	95	15	simulation	simulation	NOUN
bjp-84324	95	16	(	(	PUNCT
bjp-84324	95	17	supplementary	supplementary	ADJ
bjp-84324	95	18	table	table	NOUN
bjp-84324	95	19	s3	s3	PROPN
bjp-84324	95	20	)	)	PUNCT
bjp-84324	95	21	.	.	PUNCT
bjp-84324	96	1	to	to	PART
bjp-84324	96	2	ensure	ensure	VERB
bjp-84324	96	3	comparability	comparability	NOUN
bjp-84324	96	4	across	across	ADP
bjp-84324	96	5	a	a	DET
bjp-84324	96	6	range	range	NOUN
bjp-84324	96	7	of	of	ADP
bjp-84324	96	8	(	(	PUNCT
bjp-84324	96	9	static	static	ADJ
bjp-84324	96	10	factors	factor	NOUN
bjp-84324	96	11	of	of	ADP
bjp-84324	96	12	)	)	PUNCT
bjp-84324	96	13	molecular	molecular	ADJ
bjp-84324	96	14	dynamics	dynamic	NOUN
bjp-84324	96	15	properties	property	NOUN
bjp-84324	96	16	with	with	ADP
bjp-84324	96	17	different	different	ADJ
bjp-84324	96	18	magnitudes	magnitude	NOUN
bjp-84324	96	19	and	and	CCONJ
bjp-84324	96	20	units	unit	NOUN
bjp-84324	96	21	,	,	PUNCT
bjp-84324	96	22	normalization	normalization	NOUN
bjp-84324	96	23	was	be	AUX
bjp-84324	96	24	applied	apply	VERB
bjp-84324	96	25	on	on	ADP
bjp-84324	96	26	a	a	DET
bjp-84324	96	27	scale	scale	NOUN
bjp-84324	96	28	of	of	ADP
bjp-84324	96	29	1	1	NUM
bjp-84324	96	30	-	-	SYM
bjp-84324	96	31	10	10	NUM
bjp-84324	96	32	,	,	PUNCT
bjp-84324	96	33	to	to	ADP
bjp-84324	96	34	each	each	DET
bjp-84324	96	35	molecular	molecular	ADJ
bjp-84324	96	36	dynamics	dynamic	NOUN
bjp-84324	96	37	property	property	NOUN
bjp-84324	96	38	derived	derive	VERB
bjp-84324	96	39	static	static	ADJ
bjp-84324	96	40	factor	factor	NOUN
bjp-84324	96	41	(	(	PUNCT
bjp-84324	96	42	supplementary	supplementary	ADJ
bjp-84324	96	43	table	table	NOUN
bjp-84324	96	44	s3	s3	PROPN
bjp-84324	96	45	)	)	PUNCT
bjp-84324	96	46	.	.	PUNCT
bjp-84324	97	1	the	the	DET
bjp-84324	97	2	normalization	normalization	NOUN
bjp-84324	97	3	formula	formula	NOUN
bjp-84324	97	4	depended	depend	VERB
bjp-84324	97	5	on	on	ADP
bjp-84324	97	6	whether	whether	SCONJ
bjp-84324	97	7	a	a	DET
bjp-84324	97	8	higher	high	ADJ
bjp-84324	97	9	or	or	CCONJ
bjp-84324	97	10	lower	low	ADJ
bjp-84324	97	11	value	value	NOUN
bjp-84324	97	12	indicates	indicate	VERB
bjp-84324	97	13	a	a	DET
bjp-84324	97	14	favorable	favorable	ADJ
bjp-84324	97	15	ligand	ligand	ADJ
bjp-84324	97	16	performance	performance	NOUN
bjp-84324	97	17	:	:	PUNCT
bjp-84324	97	18	if	if	SCONJ
bjp-84324	97	19	a	a	DET
bjp-84324	97	20	lower	low	ADJ
bjp-84324	97	21	value	value	NOUN
bjp-84324	97	22	of	of	ADP
bjp-84324	97	23	static	static	ADJ
bjp-84324	97	24	factor	factor	NOUN
bjp-84324	97	25	is	be	AUX
bjp-84324	97	26	preferred	prefer	VERB
bjp-84324	97	27	,	,	PUNCT
bjp-84324	97	28	as	as	ADP
bjp-84324	97	29	in	in	ADP
bjp-84324	97	30	the	the	DET
bjp-84324	97	31	case	case	NOUN
bjp-84324	97	32	of	of	ADP
bjp-84324	97	33	standard	standard	ADJ
bjp-84324	97	34	deviations	deviation	NOUN
bjp-84324	97	35	of	of	ADP
bjp-84324	97	36	all	all	DET
bjp-84324	97	37	molecular	molecular	ADJ
bjp-84324	97	38	dynamics	dynamic	NOUN
bjp-84324	97	39	properties	property	NOUN
bjp-84324	97	40	used	use	VERB
bjp-84324	97	41	in	in	ADP
bjp-84324	97	42	scoring	score	VERB
bjp-84324	97	43	function	function	NOUN
bjp-84324	97	44	1	1	NUM
bjp-84324	97	45	,	,	PUNCT
bjp-84324	97	46	the	the	DET
bjp-84324	97	47	following	follow	VERB
bjp-84324	97	48	equation	equation	NOUN
bjp-84324	97	49	was	be	AUX
bjp-84324	97	50	used	use	VERB
bjp-84324	97	51	:	:	PUNCT
bjp-84324	97	52	1—(static	1—(static	ADJ
bjp-84324	97	53	factor	factor	NOUN
bjp-84324	97	54	—	—	PUNCT
bjp-84324	97	55	minimum	minimum	NOUN
bjp-84324	97	56	value	value	NOUN
bjp-84324	97	57	)	)	PUNCT
bjp-84324	97	58	normalized	normalize	VERB
bjp-84324	97	59	value	value	NOUN
bjp-84324	97	60	=	=	PUNCT
bjp-84324	97	61	(	(	PUNCT
bjp-84324	97	62	eq	eq	NOUN
bjp-84324	97	63	.	.	NOUN
bjp-84324	97	64	1	1	NUM
bjp-84324	97	65	)	)	PUNCT
bjp-84324	97	66	maximum	maximum	ADJ
bjp-84324	97	67	value	value	NOUN
bjp-84324	97	68	—	—	PUNCT
bjp-84324	97	69	minimum	minimum	NOUN
bjp-84324	97	70	value	value	NOUN
bjp-84324	97	71	if	if	SCONJ
bjp-84324	97	72	a	a	DET
bjp-84324	97	73	higher	high	ADJ
bjp-84324	97	74	value	value	NOUN
bjp-84324	97	75	of	of	ADP
bjp-84324	97	76	static	static	ADJ
bjp-84324	97	77	factor	factor	NOUN
bjp-84324	97	78	is	be	AUX
bjp-84324	97	79	preferred	prefer	VERB
bjp-84324	97	80	,	,	PUNCT
bjp-84324	97	81	as	as	ADP
bjp-84324	97	82	in	in	ADP
bjp-84324	97	83	the	the	DET
bjp-84324	97	84	bangladesh	bangladesh	NOUN
bjp-84324	97	85	j	j	PROPN
bjp-84324	97	86	pharmacol	pharmacol	PROPN
bjp-84324	97	87	2025	2025	NUM
bjp-84324	97	88	;	;	PUNCT
bjp-84324	97	89	20	20	NUM
bjp-84324	97	90	:	:	SYM
bjp-84324	97	91	140	140	NUM
bjp-84324	97	92	-	-	SYM
bjp-84324	97	93	149	149	NUM
bjp-84324	97	94	143	143	NUM
bjp-84324	97	95	case	case	NOUN
bjp-84324	97	96	of	of	ADP
bjp-84324	97	97	averages	average	NOUN
bjp-84324	97	98	of	of	ADP
bjp-84324	97	99	hydrogen	hydrogen	NOUN
bjp-84324	97	100	-	-	PUNCT
bjp-84324	97	101	bonds	bond	NOUN
bjp-84324	97	102	in	in	ADP
bjp-84324	97	103	calculation	calculation	NOUN
bjp-84324	97	104	of	of	ADP
bjp-84324	97	105	scoring	scoring	NOUN
bjp-84324	97	106	function	function	NOUN
bjp-84324	97	107	2	2	NUM
bjp-84324	97	108	,	,	PUNCT
bjp-84324	97	109	the	the	DET
bjp-84324	97	110	following	follow	VERB
bjp-84324	97	111	equation	equation	NOUN
bjp-84324	97	112	is	be	AUX
bjp-84324	97	113	used	use	VERB
bjp-84324	97	114	:	:	PUNCT
bjp-84324	97	115	static	static	ADJ
bjp-84324	97	116	factor	factor	NOUN
bjp-84324	97	117	—	—	PUNCT
bjp-84324	97	118	minimum	minimum	ADJ
bjp-84324	97	119	value	value	NOUN
bjp-84324	97	120	normalized	normalize	VERB
bjp-84324	97	121	value	value	NOUN
bjp-84324	97	122	=	=	PUNCT
bjp-84324	97	123	(	(	PUNCT
bjp-84324	97	124	eq	eq	NOUN
bjp-84324	97	125	.	.	NOUN
bjp-84324	97	126	2	2	NUM
bjp-84324	97	127	)	)	PUNCT
bjp-84324	97	128	maximum	maximum	ADJ
bjp-84324	97	129	value	value	NOUN
bjp-84324	97	130	—	—	PUNCT
bjp-84324	97	131	minimum	minimum	NOUN
bjp-84324	97	132	value	value	NOUN
bjp-84324	97	133	principal	principal	ADJ
bjp-84324	97	134	component	component	NOUN
bjp-84324	97	135	analysis	analysis	NOUN
bjp-84324	97	136	and	and	CCONJ
bjp-84324	97	137	weight	weight	NOUN
bjp-84324	97	138	assignment	assignment	NOUN
bjp-84324	97	139	principal	principal	ADJ
bjp-84324	97	140	component	component	NOUN
bjp-84324	97	141	analysis	analysis	NOUN
bjp-84324	97	142	was	be	AUX
bjp-84324	97	143	applied	apply	VERB
bjp-84324	97	144	using	use	VERB
bjp-84324	97	145	the	the	DET
bjp-84324	97	146	python	python	NOUN
bjp-84324	97	147	scikit	scikit	NOUN
bjp-84324	97	148	-	-	PUNCT
bjp-84324	97	149	learn	learn	VERB
bjp-84324	97	150	library	library	NOUN
bjp-84324	97	151	to	to	ADP
bjp-84324	97	152	the	the	DET
bjp-84324	97	153	normalized	normalize	VERB
bjp-84324	97	154	static	static	ADJ
bjp-84324	97	155	factors	factor	NOUN
bjp-84324	97	156	to	to	PART
bjp-84324	97	157	reduce	reduce	VERB
bjp-84324	97	158	dimensionality	dimensionality	NOUN
bjp-84324	97	159	while	while	SCONJ
bjp-84324	97	160	retaining	retain	VERB
bjp-84324	97	161	the	the	DET
bjp-84324	97	162	maximum	maximum	ADJ
bjp-84324	97	163	variance	variance	NOUN
bjp-84324	97	164	across	across	ADP
bjp-84324	97	165	the	the	DET
bjp-84324	97	166	data	datum	NOUN
bjp-84324	97	167	.	.	PUNCT
bjp-84324	98	1	variance	variance	NOUN
bjp-84324	98	2	explained	explain	VERB
bjp-84324	98	3	by	by	ADP
bjp-84324	98	4	each	each	DET
bjp-84324	98	5	component	component	NOUN
bjp-84324	98	6	was	be	AUX
bjp-84324	98	7	visualized	visualize	VERB
bjp-84324	98	8	as	as	ADP
bjp-84324	98	9	a	a	DET
bjp-84324	98	10	bar	bar	NOUN
bjp-84324	98	11	plot	plot	NOUN
bjp-84324	98	12	,	,	PUNCT
bjp-84324	98	13	while	while	SCONJ
bjp-84324	98	14	the	the	DET
bjp-84324	98	15	principal	principal	ADJ
bjp-84324	98	16	components	component	NOUN
bjp-84324	98	17	loadings	loading	NOUN
bjp-84324	98	18	were	be	AUX
bjp-84324	98	19	plotted	plot	VERB
bjp-84324	98	20	using	use	VERB
bjp-84324	98	21	matplotlib	matplotlib	PROPN
bjp-84324	98	22	and	and	CCONJ
bjp-84324	98	23	seaborn	seaborn	PROPN
bjp-84324	98	24	for	for	ADP
bjp-84324	98	25	data	data	NOUN
bjp-84324	98	26	interpretation	interpretation	NOUN
bjp-84324	98	27	(	(	PUNCT
bjp-84324	98	28	han	han	PROPN
bjp-84324	98	29	and	and	CCONJ
bjp-84324	98	30	kwak	kwak	PROPN
bjp-84324	98	31	,	,	PUNCT
bjp-84324	98	32	2023	2023	NUM
bjp-84324	98	33	;	;	PUNCT
bjp-84324	98	34	jolliffe	jolliffe	VERB
bjp-84324	98	35	and	and	CCONJ
bjp-84324	98	36	cadima	cadima	NOUN
bjp-84324	98	37	,	,	PUNCT
bjp-84324	98	38	2016	2016	NUM
bjp-84324	98	39	)	)	PUNCT
bjp-84324	98	40	.	.	PUNCT
bjp-84324	99	1	this	this	DET
bjp-84324	99	2	transformation	transformation	NOUN
bjp-84324	99	3	converted	convert	VERB
bjp-84324	99	4	the	the	DET
bjp-84324	99	5	normalized	normalize	VERB
bjp-84324	99	6	static	static	ADJ
bjp-84324	99	7	factors	factor	NOUN
bjp-84324	99	8	of	of	ADP
bjp-84324	99	9	molecular	molecular	ADJ
bjp-84324	99	10	dynamics	dynamic	NOUN
bjp-84324	99	11	properties	property	NOUN
bjp-84324	99	12	into	into	ADP
bjp-84324	99	13	a	a	DET
bjp-84324	99	14	set	set	NOUN
bjp-84324	99	15	of	of	ADP
bjp-84324	99	16	linearly	linearly	ADV
bjp-84324	99	17	uncorrelated	uncorrelated	ADJ
bjp-84324	99	18	principal	principal	ADJ
bjp-84324	99	19	components	component	NOUN
bjp-84324	99	20	(	(	PUNCT
bjp-84324	99	21	pcs	pc	NOUN
bjp-84324	99	22	)	)	PUNCT
bjp-84324	99	23	,	,	PUNCT
bjp-84324	99	24	each	each	PRON
bjp-84324	99	25	representing	represent	VERB
bjp-84324	99	26	an	an	DET
bjp-84324	99	27	independent	independent	ADJ
bjp-84324	99	28	axis	axis	NOUN
bjp-84324	99	29	of	of	ADP
bjp-84324	99	30	variance	variance	NOUN
bjp-84324	99	31	within	within	ADP
bjp-84324	99	32	the	the	DET
bjp-84324	99	33	data	datum	NOUN
bjp-84324	99	34	.	.	PUNCT
bjp-84324	100	1	all	all	DET
bjp-84324	100	2	three	three	NUM
bjp-84324	100	3	pcs	pc	NOUN
bjp-84324	100	4	(	(	PUNCT
bjp-84324	100	5	pc1	pc1	NOUN
bjp-84324	100	6	-	-	PUNCT
bjp-84324	100	7	pc3	pc3	NOUN
bjp-84324	100	8	)	)	PUNCT
bjp-84324	100	9	were	be	AUX
bjp-84324	100	10	used	use	VERB
bjp-84324	100	11	to	to	PART
bjp-84324	100	12	capture	capture	VERB
bjp-84324	100	13	100	100	NUM
bjp-84324	100	14	%	%	NOUN
bjp-84324	100	15	of	of	ADP
bjp-84324	100	16	the	the	DET
bjp-84324	100	17	total	total	ADJ
bjp-84324	100	18	variance	variance	NOUN
bjp-84324	100	19	.	.	PUNCT
bjp-84324	101	1	the	the	DET
bjp-84324	101	2	variance	variance	NOUN
bjp-84324	101	3	explained	explain	VERB
bjp-84324	101	4	by	by	ADP
bjp-84324	101	5	each	each	DET
bjp-84324	101	6	principal	principal	ADJ
bjp-84324	101	7	component	component	NOUN
bjp-84324	101	8	is	be	AUX
bjp-84324	101	9	summarized	summarize	VERB
bjp-84324	101	10	in	in	ADP
bjp-84324	101	11	(	(	PUNCT
bjp-84324	101	12	supplementary	supplementary	ADJ
bjp-84324	101	13	table	table	NOUN
bjp-84324	101	14	s4	s4	NOUN
bjp-84324	101	15	)	)	PUNCT
bjp-84324	101	16	.	.	PUNCT
bjp-84324	102	1	the	the	DET
bjp-84324	102	2	loadings	loading	NOUN
bjp-84324	102	3	of	of	ADP
bjp-84324	102	4	each	each	DET
bjp-84324	102	5	molecular	molecular	ADJ
bjp-84324	102	6	dynamics	dynamic	NOUN
bjp-84324	102	7	property	property	NOUN
bjp-84324	102	8	on	on	ADP
bjp-84324	102	9	the	the	DET
bjp-84324	102	10	principal	principal	ADJ
bjp-84324	102	11	components	component	NOUN
bjp-84324	102	12	were	be	AUX
bjp-84324	102	13	calculated	calculate	VERB
bjp-84324	102	14	to	to	PART
bjp-84324	102	15	quantify	quantify	VERB
bjp-84324	102	16	their	their	PRON
bjp-84324	102	17	contribution	contribution	NOUN
bjp-84324	102	18	to	to	ADP
bjp-84324	102	19	the	the	DET
bjp-84324	102	20	overall	overall	ADJ
bjp-84324	102	21	variance	variance	NOUN
bjp-84324	102	22	.	.	PUNCT
bjp-84324	103	1	to	to	PART
bjp-84324	103	2	eliminate	eliminate	VERB
bjp-84324	103	3	directional	directional	ADJ
bjp-84324	103	4	influence	influence	NOUN
bjp-84324	103	5	on	on	ADP
bjp-84324	103	6	weight	weight	NOUN
bjp-84324	103	7	calculations	calculation	NOUN
bjp-84324	103	8	,	,	PUNCT
bjp-84324	103	9	the	the	DET
bjp-84324	103	10	loadings	loading	NOUN
bjp-84324	103	11	were	be	AUX
bjp-84324	103	12	converted	convert	VERB
bjp-84324	103	13	to	to	ADP
bjp-84324	103	14	absolute	absolute	ADJ
bjp-84324	103	15	values	value	NOUN
bjp-84324	103	16	.	.	PUNCT
bjp-84324	104	1	min	min	ADJ
bjp-84324	104	2	-	-	PUNCT
bjp-84324	104	3	max	max	PROPN
bjp-84324	104	4	normalization	normalization	NOUN
bjp-84324	104	5	(	(	PUNCT
bjp-84324	104	6	0	0	NUM
bjp-84324	104	7	to	to	PART
bjp-84324	104	8	1	1	NUM
bjp-84324	104	9	)	)	PUNCT
bjp-84324	104	10	was	be	AUX
bjp-84324	104	11	then	then	ADV
bjp-84324	104	12	applied	apply	VERB
bjp-84324	104	13	to	to	ADP
bjp-84324	104	14	the	the	DET
bjp-84324	104	15	loadings	loading	NOUN
bjp-84324	104	16	across	across	ADP
bjp-84324	104	17	components	component	NOUN
bjp-84324	104	18	,	,	PUNCT
bjp-84324	104	19	ensuring	ensure	VERB
bjp-84324	104	20	uniform	uniform	ADJ
bjp-84324	104	21	comparability	comparability	NOUN
bjp-84324	104	22	.	.	PUNCT
bjp-84324	105	1	the	the	DET
bjp-84324	105	2	principal	principal	ADJ
bjp-84324	105	3	component	component	NOUN
bjp-84324	105	4	analysis	analysis	NOUN
bjp-84324	105	5	variance	variance	NOUN
bjp-84324	105	6	distribution	distribution	NOUN
bjp-84324	105	7	and	and	CCONJ
bjp-84324	105	8	principal	principal	ADJ
bjp-84324	105	9	component	component	NOUN
bjp-84324	105	10	loadings	loading	NOUN
bjp-84324	105	11	for	for	ADP
bjp-84324	105	12	scoring	score	VERB
bjp-84324	105	13	function	function	NOUN
bjp-84324	105	14	1	1	NUM
bjp-84324	105	15	and	and	CCONJ
bjp-84324	105	16	2	2	NUM
bjp-84324	105	17	are	be	AUX
bjp-84324	105	18	shown	show	VERB
bjp-84324	105	19	in	in	ADP
bjp-84324	105	20	supplementary	supplementary	ADJ
bjp-84324	105	21	figure	figure	NOUN
bjp-84324	105	22	s15	s15	PROPN
bjp-84324	105	23	–	–	PUNCT
bjp-84324	105	24	s19	s19	NOUN
bjp-84324	105	25	.	.	PUNCT
bjp-84324	105	26	to	to	PART
bjp-84324	105	27	calculate	calculate	VERB
bjp-84324	105	28	weights	weight	NOUN
bjp-84324	105	29	,	,	PUNCT
bjp-84324	105	30	the	the	DET
bjp-84324	105	31	normalized	normalize	VERB
bjp-84324	105	32	loadings	loading	NOUN
bjp-84324	105	33	of	of	ADP
bjp-84324	105	34	each	each	DET
bjp-84324	105	35	molecular	molecular	ADJ
bjp-84324	105	36	dynamics	dynamic	NOUN
bjp-84324	105	37	property	property	NOUN
bjp-84324	105	38	were	be	AUX
bjp-84324	105	39	summed	sum	VERB
bjp-84324	105	40	across	across	ADP
bjp-84324	105	41	all	all	DET
bjp-84324	105	42	three	three	NUM
bjp-84324	105	43	pcs	pc	NOUN
bjp-84324	105	44	to	to	PART
bjp-84324	105	45	capture	capture	VERB
bjp-84324	105	46	their	their	PRON
bjp-84324	105	47	cumulative	cumulative	ADJ
bjp-84324	105	48	contribution	contribution	NOUN
bjp-84324	105	49	.	.	PUNCT
bjp-84324	106	1	this	this	PRON
bjp-84324	106	2	ensured	ensure	VERB
bjp-84324	106	3	that	that	SCONJ
bjp-84324	106	4	the	the	DET
bjp-84324	106	5	influence	influence	NOUN
bjp-84324	106	6	of	of	ADP
bjp-84324	106	7	each	each	DET
bjp-84324	106	8	property	property	NOUN
bjp-84324	106	9	was	be	AUX
bjp-84324	106	10	based	base	VERB
bjp-84324	106	11	on	on	ADP
bjp-84324	106	12	its	its	PRON
bjp-84324	106	13	total	total	ADJ
bjp-84324	106	14	variance	variance	NOUN
bjp-84324	106	15	explanation	explanation	NOUN
bjp-84324	106	16	,	,	PUNCT
bjp-84324	106	17	rather	rather	ADV
bjp-84324	106	18	than	than	ADP
bjp-84324	106	19	being	be	AUX
bjp-84324	106	20	dominated	dominate	VERB
bjp-84324	106	21	by	by	ADP
bjp-84324	106	22	a	a	DET
bjp-84324	106	23	single	single	ADJ
bjp-84324	106	24	principal	principal	ADJ
bjp-84324	106	25	component	component	NOUN
bjp-84324	106	26	.	.	PUNCT
bjp-84324	107	1	the	the	DET
bjp-84324	107	2	summed	sum	VERB
bjp-84324	107	3	loadings	loading	NOUN
bjp-84324	107	4	were	be	AUX
bjp-84324	107	5	then	then	ADV
bjp-84324	107	6	re	re	VERB
bjp-84324	107	7	-	-	VERB
bjp-84324	107	8	normalized	normalize	VERB
bjp-84324	107	9	again	again	ADV
bjp-84324	107	10	using	use	VERB
bjp-84324	107	11	min	min	NOUN
bjp-84324	107	12	-max	-max	ADJ
bjp-84324	107	13	scaling	scale	VERB
bjp-84324	107	14	(	(	PUNCT
bjp-84324	107	15	0	0	NUM
bjp-84324	107	16	to	to	PART
bjp-84324	107	17	1	1	NUM
bjp-84324	107	18	)	)	PUNCT
bjp-84324	107	19	to	to	PART
bjp-84324	107	20	standardize	standardize	VERB
bjp-84324	107	21	their	their	PRON
bjp-84324	107	22	range	range	NOUN
bjp-84324	107	23	and	and	CCONJ
bjp-84324	107	24	ensure	ensure	VERB
bjp-84324	107	25	uniform	uniform	ADJ
bjp-84324	107	26	scaling	scaling	NOUN
bjp-84324	107	27	of	of	ADP
bjp-84324	107	28	weights	weight	NOUN
bjp-84324	107	29	.	.	PUNCT
bjp-84324	108	1	a	a	DET
bjp-84324	108	2	final	final	ADJ
bjp-84324	108	3	normalization	normalization	NOUN
bjp-84324	108	4	step	step	NOUN
bjp-84324	108	5	was	be	AUX
bjp-84324	108	6	performed	perform	VERB
bjp-84324	108	7	to	to	PART
bjp-84324	108	8	ensure	ensure	VERB
bjp-84324	108	9	that	that	SCONJ
bjp-84324	108	10	the	the	DET
bjp-84324	108	11	combined	combine	VERB
bjp-84324	108	12	weights	weight	NOUN
bjp-84324	108	13	summed	sum	VERB
bjp-84324	108	14	to	to	ADP
bjp-84324	108	15	unity	unity	NOUN
bjp-84324	108	16	,	,	PUNCT
bjp-84324	108	17	maintaining	maintain	VERB
bjp-84324	108	18	a	a	DET
bjp-84324	108	19	consistent	consistent	ADJ
bjp-84324	108	20	weighting	weighting	NOUN
bjp-84324	108	21	scheme	scheme	NOUN
bjp-84324	108	22	across	across	ADP
bjp-84324	108	23	properties	property	NOUN
bjp-84324	108	24	.	.	PUNCT
bjp-84324	109	1	the	the	DET
bjp-84324	109	2	dual	dual	ADJ
bjp-84324	109	3	normalization	normalization	NOUN
bjp-84324	109	4	process	process	NOUN
bjp-84324	109	5	,	,	PUNCT
bjp-84324	109	6	first	first	ADV
bjp-84324	109	7	at	at	ADP
bjp-84324	109	8	the	the	DET
bjp-84324	109	9	loading	loading	NOUN
bjp-84324	109	10	level	level	NOUN
bjp-84324	109	11	and	and	CCONJ
bjp-84324	109	12	then	then	ADV
bjp-84324	109	13	at	at	ADP
bjp-84324	109	14	the	the	DET
bjp-84324	109	15	weight	weight	NOUN
bjp-84324	109	16	level	level	NOUN
bjp-84324	109	17	,	,	PUNCT
bjp-84324	109	18	ensured	ensure	VERB
bjp-84324	109	19	that	that	SCONJ
bjp-84324	109	20	weights	weight	NOUN
bjp-84324	109	21	accurately	accurately	ADV
bjp-84324	109	22	reflected	reflect	VERB
bjp-84324	109	23	the	the	DET
bjp-84324	109	24	relative	relative	ADJ
bjp-84324	109	25	importance	importance	NOUN
bjp-84324	109	26	of	of	ADP
bjp-84324	109	27	each	each	DET
bjp-84324	109	28	molecular	molecular	ADJ
bjp-84324	109	29	dynamics	dynamic	NOUN
bjp-84324	109	30	property	property	NOUN
bjp-84324	109	31	.	.	PUNCT
bjp-84324	110	1	the	the	DET
bjp-84324	110	2	final	final	ADJ
bjp-84324	110	3	weights	weight	NOUN
bjp-84324	110	4	(	(	PUNCT
bjp-84324	110	5	supplementary	supplementary	ADJ
bjp-84324	110	6	table	table	NOUN
bjp-84324	110	7	s5	s5	PROPN
bjp-84324	110	8	)	)	PUNCT
bjp-84324	110	9	highlight	highlight	VERB
bjp-84324	110	10	the	the	DET
bjp-84324	110	11	properties	property	NOUN
bjp-84324	110	12	with	with	ADP
bjp-84324	110	13	the	the	DET
bjp-84324	110	14	greatest	great	ADJ
bjp-84324	110	15	influence	influence	NOUN
bjp-84324	110	16	on	on	ADP
bjp-84324	110	17	ligand	ligand	ADJ
bjp-84324	110	18	performance	performance	NOUN
bjp-84324	110	19	.	.	PUNCT
bjp-84324	111	1	these	these	DET
bjp-84324	111	2	weights	weight	NOUN
bjp-84324	111	3	were	be	AUX
bjp-84324	111	4	subsequently	subsequently	ADV
bjp-84324	111	5	applied	apply	VERB
bjp-84324	111	6	to	to	PART
bjp-84324	111	7	calculate	calculate	VERB
bjp-84324	111	8	the	the	DET
bjp-84324	111	9	final	final	ADJ
bjp-84324	111	10	scores	score	NOUN
bjp-84324	111	11	for	for	ADP
bjp-84324	111	12	each	each	DET
bjp-84324	111	13	ligand	ligand	NOUN
bjp-84324	111	14	.	.	PUNCT
bjp-84324	112	1	the	the	DET
bjp-84324	112	2	entire	entire	ADJ
bjp-84324	112	3	python	python	NOUN
bjp-84324	112	4	code	code	NOUN
bjp-84324	112	5	for	for	ADP
bjp-84324	112	6	principal	principal	ADJ
bjp-84324	112	7	component	component	NOUN
bjp-84324	112	8	analysis	analysis	NOUN
bjp-84324	112	9	,	,	PUNCT
bjp-84324	112	10	principal	principal	ADJ
bjp-84324	112	11	component	component	NOUN
bjp-84324	112	12	loadings	loading	NOUN
bjp-84324	112	13	,	,	PUNCT
bjp-84324	112	14	weights	weight	NOUN
bjp-84324	112	15	for	for	ADP
bjp-84324	112	16	scoring	score	VERB
bjp-84324	112	17	function	function	NOUN
bjp-84324	112	18	1	1	NUM
bjp-84324	112	19	and	and	CCONJ
bjp-84324	112	20	2	2	NUM
bjp-84324	112	21	including	include	VERB
bjp-84324	112	22	is	be	AUX
bjp-84324	112	23	available	available	ADJ
bjp-84324	112	24	in	in	ADP
bjp-84324	112	25	supplementary	supplementary	ADJ
bjp-84324	112	26	data	datum	NOUN
bjp-84324	112	27	.	.	PUNCT
bjp-84324	113	1	the	the	DET
bjp-84324	113	2	final	final	ADJ
bjp-84324	113	3	score	score	NOUN
bjp-84324	113	4	for	for	ADP
bjp-84324	113	5	ligands	ligand	NOUN
bjp-84324	113	6	(	(	PUNCT
bjp-84324	113	7	10a(r	10a(r	NUM
bjp-84324	113	8	)	)	PUNCT
bjp-84324	113	9	,	,	PUNCT
bjp-84324	113	10	10a(s	10a(s	NUM
bjp-84324	113	11	)	)	PUNCT
bjp-84324	113	12	,	,	PUNCT
bjp-84324	113	13	and	and	CCONJ
bjp-84324	113	14	thiourea	thiourea	NOUN
bjp-84324	113	15	was	be	AUX
bjp-84324	113	16	calculated	calculate	VERB
bjp-84324	113	17	by	by	ADP
bjp-84324	113	18	summing	sum	VERB
bjp-84324	113	19	the	the	DET
bjp-84324	113	20	product	product	NOUN
bjp-84324	113	21	of	of	ADP
bjp-84324	113	22	each	each	PRON
bjp-84324	113	23	normalized	normalize	VERB
bjp-84324	113	24	molecular	molecular	ADJ
bjp-84324	113	25	dynamics	dynamic	NOUN
bjp-84324	113	26	property	property	NOUN
bjp-84324	113	27	static	static	ADJ
bjp-84324	113	28	factor	factor	NOUN
bjp-84324	113	29	and	and	CCONJ
bjp-84324	113	30	its	its	PRON
bjp-84324	113	31	respective	respective	ADJ
bjp-84324	113	32	weight	weight	NOUN
bjp-84324	113	33	,	,	PUNCT
bjp-84324	113	34	separately	separately	ADV
bjp-84324	113	35	for	for	ADP
bjp-84324	113	36	scoring	score	VERB
bjp-84324	113	37	function	function	NOUN
bjp-84324	113	38	1	1	NUM
bjp-84324	113	39	(	(	PUNCT
bjp-84324	113	40	fluctuation	fluctuation	NOUN
bjp-84324	113	41	of	of	ADP
bjp-84324	113	42	interaction	interaction	NOUN
bjp-84324	113	43	)	)	PUNCT
bjp-84324	113	44	and	and	CCONJ
bjp-84324	113	45	scoring	scoring	NOUN
bjp-84324	113	46	function	function	NOUN
bjp-84324	113	47	2	2	NUM
bjp-84324	113	48	(	(	PUNCT
bjp-84324	113	49	strength	strength	NOUN
bjp-84324	113	50	of	of	ADP
bjp-84324	113	51	interaction	interaction	NOUN
bjp-84324	113	52	)	)	PUNCT
bjp-84324	113	53	using	use	VERB
bjp-84324	113	54	the	the	DET
bjp-84324	113	55	following	follow	VERB
bjp-84324	113	56	equation	equation	NOUN
bjp-84324	113	57	:	:	PUNCT
bjp-84324	113	58	score	score	NOUN
bjp-84324	113	59	=	=	SYM
bjp-84324	113	60	∑(normalized	∑(normalized	ADJ
bjp-84324	113	61	static	static	ADJ
bjp-84324	113	62	factor	factor	NOUN
bjp-84324	113	63	x	x	NOUN
bjp-84324	113	64	weight	weight	NOUN
bjp-84324	113	65	)	)	PUNCT
bjp-84324	113	66	(	(	PUNCT
bjp-84324	113	67	eq	eq	NOUN
bjp-84324	113	68	.	.	NOUN
bjp-84324	113	69	3	3	X
bjp-84324	113	70	)	)	PUNCT
bjp-84324	113	71	scoring	scoring	NOUN
bjp-84324	113	72	function	function	NOUN
bjp-84324	113	73	1	1	NUM
bjp-84324	113	74	and	and	CCONJ
bjp-84324	113	75	2	2	NUM
bjp-84324	113	76	(	(	PUNCT
bjp-84324	113	77	fluctuation	fluctuation	NOUN
bjp-84324	113	78	and	and	CCONJ
bjp-84324	113	79	strength	strength	NOUN
bjp-84324	113	80	of	of	ADP
bjp-84324	113	81	interaction	interaction	NOUN
bjp-84324	113	82	)	)	PUNCT
bjp-84324	113	83	were	be	AUX
bjp-84324	113	84	determined	determine	VERB
bjp-84324	113	85	through	through	ADP
bjp-84324	113	86	standard	standard	ADJ
bjp-84324	113	87	deviation	deviation	NOUN
bjp-84324	113	88	and	and	CCONJ
bjp-84324	113	89	average	average	NOUN
bjp-84324	113	90	of	of	ADP
bjp-84324	113	91	hydrogen	hydrogen	NOUN
bjp-84324	113	92	-	-	PUNCT
bjp-84324	113	93	bonds	bond	NOUN
bjp-84324	113	94	,	,	PUNCT
bjp-84324	113	95	lennard	lennard	PROPN
bjp-84324	113	96	jones	jones	PROPN
bjp-84324	113	97	(	(	PUNCT
bjp-84324	113	98	elj	elj	PROPN
bjp-84324	113	99	)	)	PUNCT
bjp-84324	113	100	,	,	PUNCT
bjp-84324	113	101	coulombic	coulombic	ADJ
bjp-84324	113	102	(	(	PUNCT
bjp-84324	113	103	ec	ec	PROPN
bjp-84324	113	104	)	)	PUNCT
bjp-84324	113	105	and	and	CCONJ
bjp-84324	113	106	hydrophobic	hydrophobic	NOUN
bjp-84324	113	107	interactions	interaction	NOUN
bjp-84324	113	108	,	,	PUNCT
bjp-84324	113	109	respectively	respectively	ADV
bjp-84324	113	110	.	.	PUNCT
bjp-84324	114	1	the	the	DET
bjp-84324	114	2	higher	high	ADJ
bjp-84324	114	3	scores	score	NOUN
bjp-84324	114	4	indicated	indicate	VERB
bjp-84324	114	5	more	more	ADV
bjp-84324	114	6	favorable	favorable	ADJ
bjp-84324	114	7	attributes	attribute	NOUN
bjp-84324	114	8	for	for	ADP
bjp-84324	114	9	interaction	interaction	NOUN
bjp-84324	114	10	.	.	PUNCT
bjp-84324	115	1	the	the	DET
bjp-84324	115	2	calculation	calculation	NOUN
bjp-84324	115	3	data	data	VERB
bjp-84324	115	4	files	file	NOUN
bjp-84324	115	5	(	(	PUNCT
bjp-84324	115	6	.csv	.csv	NUM
bjp-84324	115	7	)	)	PUNCT
bjp-84324	115	8	containing	contain	VERB
bjp-84324	115	9	static	static	ADJ
bjp-84324	115	10	factors	factor	NOUN
bjp-84324	115	11	,	,	PUNCT
bjp-84324	115	12	normalization	normalization	NOUN
bjp-84324	115	13	values	value	NOUN
bjp-84324	115	14	,	,	PUNCT
bjp-84324	115	15	principal	principal	ADJ
bjp-84324	115	16	component	component	NOUN
bjp-84324	115	17	(	(	PUNCT
bjp-84324	115	18	pc	pc	NOUN
bjp-84324	115	19	)	)	PUNCT
bjp-84324	115	20	variances	variance	NOUN
bjp-84324	115	21	,	,	PUNCT
bjp-84324	115	22	loadings	loading	NOUN
bjp-84324	115	23	,	,	PUNCT
bjp-84324	115	24	weights	weight	NOUN
bjp-84324	115	25	for	for	ADP
bjp-84324	115	26	all	all	DET
bjp-84324	115	27	scoring	scoring	NOUN
bjp-84324	115	28	functions	function	NOUN
bjp-84324	115	29	,	,	PUNCT
bjp-84324	115	30	and	and	CCONJ
bjp-84324	115	31	final	final	ADJ
bjp-84324	115	32	scores	score	NOUN
bjp-84324	115	33	are	be	AUX
bjp-84324	115	34	available	available	ADJ
bjp-84324	115	35	in	in	ADP
bjp-84324	115	36	the	the	DET
bjp-84324	115	37	dataset	dataset	NOUN
bjp-84324	115	38	.	.	PUNCT
bjp-84324	116	1	the	the	DET
bjp-84324	116	2	entire	entire	ADJ
bjp-84324	116	3	computational	computational	ADJ
bjp-84324	116	4	methodology	methodology	NOUN
bjp-84324	116	5	is	be	AUX
bjp-84324	116	6	shown	show	VERB
bjp-84324	116	7	in	in	ADP
bjp-84324	116	8	figure	figure	NOUN
bjp-84324	116	9	2	2	NUM
bjp-84324	116	10	.	.	PUNCT
bjp-84324	116	11	figure	figure	NOUN
bjp-84324	116	12	2	2	NUM
bjp-84324	116	13	:	:	PUNCT
bjp-84324	116	14	entire	entire	ADJ
bjp-84324	116	15	methodology	methodology	NOUN
bjp-84324	116	16	of	of	ADP
bjp-84324	116	17	calculation	calculation	NOUN
bjp-84324	116	18	of	of	ADP
bjp-84324	116	19	molecular	molecular	ADJ
bjp-84324	116	20	dynamics	dynamic	NOUN
bjp-84324	116	21	-	-	PUNCT
bjp-84324	116	22	based	base	VERB
bjp-84324	116	23	scoring	scoring	NOUN
bjp-84324	116	24	(	(	PUNCT
bjp-84324	116	25	a	a	NOUN
bjp-84324	116	26	)	)	PUNCT
bjp-84324	116	27	.	.	PUNCT
bjp-84324	117	1	component	component	NOUN
bjp-84324	117	2	molecular	molecular	ADJ
bjp-84324	117	3	dynamics	dynamic	NOUN
bjp-84324	117	4	properties	property	NOUN
bjp-84324	117	5	of	of	ADP
bjp-84324	117	6	scoring	scoring	NOUN
bjp-84324	117	7	functions	function	NOUN
bjp-84324	117	8	2	2	NUM
bjp-84324	117	9	,	,	PUNCT
bjp-84324	117	10	and	and	CCONJ
bjp-84324	117	11	3	3	NUM
bjp-84324	117	12	(	(	PUNCT
bjp-84324	117	13	b	b	NOUN
bjp-84324	117	14	)	)	PUNCT
bjp-84324	117	15	144	144	NUM
bjp-84324	117	16	bangladesh	bangladesh	PROPN
bjp-84324	117	17	j	j	PROPN
bjp-84324	117	18	pharmacol	pharmacol	PROPN
bjp-84324	117	19	2025	2025	NUM
bjp-84324	117	20	;	;	PUNCT
bjp-84324	117	21	20	20	NUM
bjp-84324	117	22	:	:	SYM
bjp-84324	117	23	140	140	NUM
bjp-84324	117	24	-	-	SYM
bjp-84324	117	25	149	149	NUM
bjp-84324	117	26	results	result	NOUN
bjp-84324	117	27	spectroscopic	spectroscopic	ADJ
bjp-84324	117	28	characterization	characterization	NOUN
bjp-84324	117	29	of	of	ADP
bjp-84324	117	30	compounds	compound	NOUN
bjp-84324	117	31	(	(	PUNCT
bjp-84324	117	32	10a	10a	NOUN
bjp-84324	117	33	-	-	SYM
bjp-84324	117	34	c	c	NOUN
bjp-84324	117	35	)	)	PUNCT
bjp-84324	117	36	all	all	PRON
bjp-84324	117	37	synthesized	synthesize	VERB
bjp-84324	117	38	compounds	compound	NOUN
bjp-84324	117	39	(	(	PUNCT
bjp-84324	117	40	10a	10a	NOUN
bjp-84324	117	41	–	–	PUNCT
bjp-84324	117	42	c	c	NOUN
bjp-84324	117	43	)	)	PUNCT
bjp-84324	117	44	were	be	AUX
bjp-84324	117	45	characterized	characterize	VERB
bjp-84324	117	46	using	use	VERB
bjp-84324	117	47	¹³c	¹³c	NOUN
bjp-84324	117	48	nmr	nmr	NOUN
bjp-84324	117	49	,	,	PUNCT
bjp-84324	117	50	ft	ft	PROPN
bjp-84324	117	51	-	-	PUNCT
bjp-84324	117	52	ir	ir	NOUN
bjp-84324	117	53	,	,	PUNCT
bjp-84324	117	54	ei	ei	PROPN
bjp-84324	117	55	-	-	PUNCT
bjp-84324	117	56	ms	ms	NOUN
bjp-84324	117	57	,	,	PUNCT
bjp-84324	117	58	and	and	CCONJ
bjp-84324	117	59	elemental	elemental	ADJ
bjp-84324	117	60	analysis	analysis	NOUN
bjp-84324	117	61	.	.	PUNCT
bjp-84324	118	1	spectra	spectra	PROPN
bjp-84324	118	2	are	be	AUX
bjp-84324	118	3	provided	provide	VERB
bjp-84324	118	4	in	in	ADP
bjp-84324	118	5	the	the	DET
bjp-84324	118	6	supplementary	supplementary	ADJ
bjp-84324	118	7	data	datum	NOUN
bjp-84324	118	8	along	along	ADP
bjp-84324	118	9	with	with	ADP
bjp-84324	118	10	more	more	ADV
bjp-84324	118	11	detailed	detailed	ADJ
bjp-84324	118	12	discussion	discussion	NOUN
bjp-84324	118	13	on	on	ADP
bjp-84324	118	14	structural	structural	ADJ
bjp-84324	118	15	elucidation	elucidation	NOUN
bjp-84324	118	16	approach	approach	NOUN
bjp-84324	118	17	.	.	PUNCT
bjp-84324	119	1	ir	ir	PROPN
bjp-84324	119	2	spectra	spectra	PROPN
bjp-84324	119	3	identified	identify	VERB
bjp-84324	119	4	functional	functional	ADJ
bjp-84324	119	5	groups	group	NOUN
bjp-84324	119	6	such	such	ADJ
bjp-84324	119	7	as	as	ADP
bjp-84324	119	8	ester	ester	NOUN
bjp-84324	119	9	carbonyls	carbonyls	NOUN
bjp-84324	119	10	(	(	PUNCT
bjp-84324	119	11	c	c	NOUN
bjp-84324	119	12	=	=	NOUN
bjp-84324	119	13	o	o	NOUN
bjp-84324	119	14	)	)	PUNCT
bjp-84324	119	15	,	,	PUNCT
bjp-84324	119	16	aromatic	aromatic	ADJ
bjp-84324	119	17	rings	ring	NOUN
bjp-84324	119	18	(	(	PUNCT
bjp-84324	119	19	c	c	NOUN
bjp-84324	119	20	=	=	SYM
bjp-84324	119	21	c	c	NOUN
bjp-84324	119	22	)	)	PUNCT
bjp-84324	119	23	,	,	PUNCT
bjp-84324	119	24	dimethylamino	dimethylamino	NOUN
bjp-84324	119	25	groups	group	NOUN
bjp-84324	119	26	(	(	PUNCT
bjp-84324	119	27	c	c	NOUN
bjp-84324	119	28	–	–	PUNCT
bjp-84324	119	29	n	n	NUM
bjp-84324	119	30	)	)	PUNCT
bjp-84324	119	31	,	,	PUNCT
bjp-84324	119	32	and	and	CCONJ
bjp-84324	119	33	aliphatic	aliphatic	ADJ
bjp-84324	119	34	/	/	SYM
bjp-84324	119	35	alicyclic	alicyclic	ADJ
bjp-84324	119	36	chains	chain	NOUN
bjp-84324	119	37	(	(	PUNCT
bjp-84324	119	38	c	c	NOUN
bjp-84324	119	39	–	–	PUNCT
bjp-84324	119	40	h	h	NOUN
bjp-84324	119	41	)	)	PUNCT
bjp-84324	119	42	in	in	ADP
bjp-84324	119	43	the	the	DET
bjp-84324	119	44	range	range	NOUN
bjp-84324	119	45	of	of	ADP
bjp-84324	119	46	400–4000	400–4000	NUM
bjp-84324	119	47	cm⁻¹.	cm⁻¹.	NOUN
bjp-84324	119	48	the	the	DET
bjp-84324	119	49	¹³c	¹³c	NOUN
bjp-84324	119	50	-	-	PUNCT
bjp-84324	119	51	nmr	nmr	NOUN
bjp-84324	119	52	spectra	spectra	NOUN
bjp-84324	119	53	showed	show	VERB
bjp-84324	119	54	downfield	downfield	NOUN
bjp-84324	119	55	signals	signal	NOUN
bjp-84324	119	56	at	at	ADP
bjp-84324	119	57	δ	δ	PROPN
bjp-84324	119	58	160–180	160–180	NUM
bjp-84324	119	59	ppm	ppm	NUM
bjp-84324	119	60	which	which	PRON
bjp-84324	119	61	confirmed	confirm	VERB
bjp-84324	119	62	ester	ester	NOUN
bjp-84324	119	63	carbonyls	carbonyls	NOUN
bjp-84324	119	64	,	,	PUNCT
bjp-84324	119	65	aromatic	aromatic	ADJ
bjp-84324	119	66	carbons	carbon	NOUN
bjp-84324	119	67	appeared	appear	VERB
bjp-84324	119	68	at	at	ADP
bjp-84324	119	69	δ	δ	PROPN
bjp-84324	119	70	110–155	110–155	NUM
bjp-84324	119	71	ppm	ppm	NOUN
bjp-84324	119	72	,	,	PUNCT
bjp-84324	119	73	glycerol	glycerol	NOUN
bjp-84324	119	74	backbone	backbone	NOUN
bjp-84324	119	75	carbons	carbon	NOUN
bjp-84324	119	76	at	at	ADP
bjp-84324	119	77	δ	δ	PROPN
bjp-84324	119	78	60–75	60–75	NUM
bjp-84324	119	79	ppm	ppm	NOUN
bjp-84324	119	80	,	,	PUNCT
bjp-84324	119	81	and	and	CCONJ
bjp-84324	119	82	alicyclic	alicyclic	ADJ
bjp-84324	119	83	/	/	SYM
bjp-84324	119	84	methyl	methyl	NOUN
bjp-84324	119	85	carbons	carbon	NOUN
bjp-84324	119	86	at	at	ADP
bjp-84324	119	87	δ	δ	PROPN
bjp-84324	119	88	20–45	20–45	NUM
bjp-84324	119	89	ppm	ppm	NOUN
bjp-84324	119	90	.	.	PUNCT
bjp-84324	120	1	molecular	molecular	ADJ
bjp-84324	120	2	ion	ion	NOUN
bjp-84324	120	3	peaks	peak	NOUN
bjp-84324	120	4	(	(	PUNCT
bjp-84324	120	5	m⁺	m⁺	NOUN
bjp-84324	120	6	)	)	PUNCT
bjp-84324	120	7	in	in	ADP
bjp-84324	120	8	eims	eim	NOUN
bjp-84324	120	9	confirmed	confirm	VERB
bjp-84324	120	10	molecular	molecular	ADJ
bjp-84324	120	11	weights	weight	NOUN
bjp-84324	120	12	for	for	ADP
bjp-84324	120	13	(	(	PUNCT
bjp-84324	120	14	10a	10a	NOUN
bjp-84324	120	15	-	-	PUNCT
bjp-84324	120	16	c	c	NOUN
bjp-84324	120	17	)	)	PUNCT
bjp-84324	120	18	and	and	CCONJ
bjp-84324	120	19	fragmentation	fragmentation	NOUN
bjp-84324	120	20	patterns	pattern	NOUN
bjp-84324	120	21	provided	provide	VERB
bjp-84324	120	22	substituent	substituent	NOUN
bjp-84324	120	23	positions	position	NOUN
bjp-84324	120	24	.	.	PUNCT
bjp-84324	121	1	elemental	elemental	ADJ
bjp-84324	121	2	analysis	analysis	NOUN
bjp-84324	121	3	(	(	PUNCT
bjp-84324	121	4	chn	chn	NOUN
bjp-84324	121	5	)	)	PUNCT
bjp-84324	121	6	was	be	AUX
bjp-84324	121	7	used	use	VERB
bjp-84324	121	8	to	to	PART
bjp-84324	121	9	validate	validate	VERB
bjp-84324	121	10	the	the	DET
bjp-84324	121	11	empirical	empirical	ADJ
bjp-84324	121	12	formulae	formulae	NOUN
bjp-84324	121	13	of	of	ADP
bjp-84324	121	14	all	all	DET
bjp-84324	121	15	synthesized	synthesize	VERB
bjp-84324	121	16	compounds	compound	NOUN
bjp-84324	121	17	.	.	PUNCT
bjp-84324	122	1	3-(4-(dimethylamino)benzoyloxy)propane-1,2	3-(4-(dimethylamino)benzoyloxy)propane-1,2	NUM
bjp-84324	122	2	-	-	PUNCT
bjp-84324	122	3	diyl	diyl	NOUN
bjp-84324	122	4	dicyclohexane	dicyclohexane	NOUN
bjp-84324	122	5	carboxylate	carboxylate	NOUN
bjp-84324	122	6	(	(	PUNCT
bjp-84324	122	7	10a	10a	NUM
bjp-84324	122	8	)	)	PUNCT
bjp-84324	122	9	white	white	X
bjp-84324	122	10	solid	solid	ADJ
bjp-84324	122	11	;	;	PUNCT
bjp-84324	122	12	yield	yield	NOUN
bjp-84324	122	13	:	:	PUNCT
bjp-84324	122	14	65	65	NUM
bjp-84324	122	15	%	%	NOUN
bjp-84324	122	16	;	;	PUNCT
bjp-84324	122	17	m.p	m.p	PROPN
bjp-84324	122	18	.	.	PROPN
bjp-84324	122	19	122	122	NUM
bjp-84324	122	20	-	-	SYM
bjp-84324	122	21	124	124	NUM
bjp-84324	122	22	oc	oc	NOUN
bjp-84324	122	23	;	;	PUNCT
bjp-84324	122	24	ir	ir	PROPN
bjp-84324	122	25	(	(	PUNCT
bjp-84324	122	26	kbr	kbr	PROPN
bjp-84324	122	27	)	)	PUNCT
bjp-84324	122	28	νmax	νmax	NOUN
bjp-84324	122	29	(	(	PUNCT
bjp-84324	122	30	cm-1	cm-1	PROPN
bjp-84324	122	31	):	):	PUNCT
bjp-84324	122	32	2925	2925	NUM
bjp-84324	122	33	(	(	PUNCT
bjp-84324	122	34	c	c	NOUN
bjp-84324	122	35	-	-	PUNCT
bjp-84324	122	36	h	h	NOUN
bjp-84324	122	37	aliphatic	aliphatic	NOUN
bjp-84324	122	38	)	)	PUNCT
bjp-84324	122	39	,	,	PUNCT
bjp-84324	122	40	1692	1692	NUM
bjp-84324	122	41	(	(	PUNCT
bjp-84324	122	42	c	c	NOUN
bjp-84324	122	43	=	=	NOUN
bjp-84324	122	44	o	o	NOUN
bjp-84324	122	45	ester	ester	NOUN
bjp-84324	122	46	)	)	PUNCT
bjp-84324	122	47	,	,	PUNCT
bjp-84324	122	48	1608	1608	NUM
bjp-84324	122	49	(	(	PUNCT
bjp-84324	122	50	c	c	NOUN
bjp-84324	122	51	=	=	NOUN
bjp-84324	122	52	c	c	NOUN
bjp-84324	122	53	aromatic	aromatic	NOUN
bjp-84324	122	54	)	)	PUNCT
bjp-84324	122	55	,	,	PUNCT
bjp-84324	122	56	1273	1273	NUM
bjp-84324	122	57	(	(	PUNCT
bjp-84324	122	58	c	c	NOUN
bjp-84324	122	59	-	-	PUNCT
bjp-84324	122	60	o	o	NOUN
bjp-84324	122	61	ester	ester	NOUN
bjp-84324	122	62	)	)	PUNCT
bjp-84324	122	63	,	,	PUNCT
bjp-84324	122	64	1205.94	1205.94	NUM
bjp-84324	122	65	(	(	PUNCT
bjp-84324	122	66	c	c	NOUN
bjp-84324	122	67	-	-	PUNCT
bjp-84324	122	68	n	n	PRON
bjp-84324	122	69	amine	amine	NOUN
bjp-84324	122	70	)	)	PUNCT
bjp-84324	122	71	,	,	PUNCT
bjp-84324	122	72	1101	1101	NUM
bjp-84324	122	73	(	(	PUNCT
bjp-84324	122	74	c	c	NOUN
bjp-84324	122	75	-	-	PUNCT
bjp-84324	122	76	o	o	NOUN
bjp-84324	122	77	ether	ether	NOUN
bjp-84324	122	78	)	)	PUNCT
bjp-84324	122	79	cm-1	cm-1	NOUN
bjp-84324	122	80	;	;	PUNCT
bjp-84324	122	81	13c	13c	NOUN
bjp-84324	122	82	-	-	NOUN
bjp-84324	122	83	nmr	nmr	NOUN
bjp-84324	122	84	(	(	PUNCT
bjp-84324	122	85	cdcl3	cdcl3	NOUN
bjp-84324	122	86	,	,	PUNCT
bjp-84324	122	87	100	100	NUM
bjp-84324	122	88	mhz	mhz	NOUN
bjp-84324	122	89	,	,	PUNCT
bjp-84324	122	90	25	25	NUM
bjp-84324	122	91	°	°	NOUN
bjp-84324	122	92	c	c	X
bjp-84324	122	93	,	,	PUNCT
bjp-84324	122	94	tms	tms	PROPN
bjp-84324	122	95	)	)	PUNCT
bjp-84324	122	96	δ	δ	PROPN
bjp-84324	122	97	(	(	PUNCT
bjp-84324	122	98	ppm	ppm	PROPN
bjp-84324	122	99	):	):	PUNCT
bjp-84324	122	100	25.73	25.73	NUM
bjp-84324	122	101	(	(	PUNCT
bjp-84324	122	102	c₃₁	c₃₁	NOUN
bjp-84324	122	103	,	,	PUNCT
bjp-84324	122	104	c₃₂	c₃₂	NOUN
bjp-84324	122	105	,	,	PUNCT
bjp-84324	122	106	c₃₃	c₃₃	PROPN
bjp-84324	122	107	,	,	PUNCT
bjp-84324	122	108	c₃₄	c₃₄	NOUN
bjp-84324	122	109	,	,	PUNCT
bjp-84324	122	110	c₃₅	c₃₅	PROPN
bjp-84324	122	111	,	,	PUNCT
bjp-84324	122	112	c₃₆	c₃₆	NOUN
bjp-84324	122	113	–	–	PUNCT
bjp-84324	122	114	6c	6c	NUM
bjp-84324	122	115	,	,	PUNCT
bjp-84324	122	116	s	s	PART
bjp-84324	122	117	)	)	PUNCT
bjp-84324	122	118	,	,	PUNCT
bjp-84324	122	119	29.11	29.11	NUM
bjp-84324	122	120	(	(	PUNCT
bjp-84324	122	121	c₂₇	c₂₇	NOUN
bjp-84324	122	122	,	,	PUNCT
bjp-84324	122	123	c₂₈	c₂₈	PROPN
bjp-84324	122	124	,	,	PUNCT
bjp-84324	122	125	c₂₉	c₂₉	NOUN
bjp-84324	122	126	,	,	PUNCT
bjp-84324	122	127	c₃₀	c₃₀	NOUN
bjp-84324	122	128	–	–	PUNCT
bjp-84324	122	129	4c	4c	NOUN
bjp-84324	122	130	,	,	PUNCT
bjp-84324	122	131	s	s	PART
bjp-84324	122	132	)	)	PUNCT
bjp-84324	122	133	,	,	PUNCT
bjp-84324	122	134	40.21	40.21	NUM
bjp-84324	122	135	(	(	PUNCT
bjp-84324	122	136	c₂₅	c₂₅	PROPN
bjp-84324	122	137	,	,	PUNCT
bjp-84324	122	138	c₂₆	c₂₆	ADV
bjp-84324	122	139	–	–	PUNCT
bjp-84324	122	140	2c	2c	NUM
bjp-84324	122	141	,	,	PUNCT
bjp-84324	122	142	s	s	PART
bjp-84324	122	143	)	)	PUNCT
bjp-84324	122	144	,	,	PUNCT
bjp-84324	122	145	43.31	43.31	NUM
bjp-84324	122	146	(	(	PUNCT
bjp-84324	122	147	c₂₄	c₂₄	PROPN
bjp-84324	122	148	,	,	PUNCT
bjp-84324	122	149	c₂₄′	c₂₄′	PROPN
bjp-84324	122	150	–	–	PUNCT
bjp-84324	122	151	2c	2c	NUM
bjp-84324	122	152	,	,	PUNCT
bjp-84324	122	153	d	d	PROPN
bjp-84324	122	154	,	,	PUNCT
bjp-84324	122	155	j	j	PROPN
bjp-84324	122	156	=	=	SYM
bjp-84324	122	157	10.06	10.06	NUM
bjp-84324	122	158	hz	hz	NOUN
bjp-84324	122	159	)	)	PUNCT
bjp-84324	122	160	,	,	PUNCT
bjp-84324	122	161	62.41	62.41	NUM
bjp-84324	122	162	(	(	PUNCT
bjp-84324	122	163	c₂₁	c₂₁	NOUN
bjp-84324	122	164	,	,	PUNCT
bjp-84324	122	165	c₂₂	c₂₂	ADJ
bjp-84324	122	166	–	–	PUNCT
bjp-84324	122	167	2c	2c	NUM
bjp-84324	122	168	,	,	PUNCT
bjp-84324	122	169	s	s	PART
bjp-84324	122	170	)	)	PUNCT
bjp-84324	122	171	,	,	PUNCT
bjp-84324	122	172	69.17	69.17	NUM
bjp-84324	122	173	(	(	PUNCT
bjp-84324	122	174	c₂₀	c₂₀	NOUN
bjp-84324	122	175	–	–	PUNCT
bjp-84324	122	176	1c	1c	NUM
bjp-84324	122	177	,	,	PUNCT
bjp-84324	122	178	s	s	NOUN
bjp-84324	122	179	)	)	PUNCT
bjp-84324	122	180	,	,	PUNCT
bjp-84324	122	181	110.56	110.56	NUM
bjp-84324	122	182	(	(	PUNCT
bjp-84324	122	183	c₁₀	c₁₀	NOUN
bjp-84324	122	184	,	,	PUNCT
bjp-84324	122	185	c₁₁	c₁₁	ADJ
bjp-84324	122	186	–	–	PUNCT
bjp-84324	122	187	2c	2c	NUM
bjp-84324	122	188	,	,	PUNCT
bjp-84324	122	189	s	s	PART
bjp-84324	122	190	)	)	PUNCT
bjp-84324	122	191	,	,	PUNCT
bjp-84324	122	192	122.91	122.91	NUM
bjp-84324	122	193	(	(	PUNCT
bjp-84324	122	194	c₁₂	c₁₂	NOUN
bjp-84324	122	195	–	–	PUNCT
bjp-84324	122	196	1c	1c	NUM
bjp-84324	122	197	,	,	PUNCT
bjp-84324	122	198	s	s	NOUN
bjp-84324	122	199	)	)	PUNCT
bjp-84324	122	200	,	,	PUNCT
bjp-84324	122	201	130.71	130.71	NUM
bjp-84324	122	202	(	(	PUNCT
bjp-84324	122	203	c₁₃	c₁₃	PROPN
bjp-84324	122	204	,	,	PUNCT
bjp-84324	122	205	c₁₄	c₁₄	NOUN
bjp-84324	122	206	–	–	PUNCT
bjp-84324	122	207	2c	2c	NUM
bjp-84324	122	208	,	,	PUNCT
bjp-84324	122	209	s	s	PART
bjp-84324	122	210	)	)	PUNCT
bjp-84324	122	211	,	,	PUNCT
bjp-84324	122	212	153.11	153.11	NUM
bjp-84324	122	213	(	(	PUNCT
bjp-84324	122	214	c₁₅	c₁₅	ADJ
bjp-84324	122	215	–	–	PUNCT
bjp-84324	122	216	1c	1c	NUM
bjp-84324	122	217	,	,	PUNCT
bjp-84324	122	218	s	s	NOUN
bjp-84324	122	219	)	)	PUNCT
bjp-84324	122	220	,	,	PUNCT
bjp-84324	122	221	166.31	166.31	NUM
bjp-84324	122	222	(	(	PUNCT
bjp-84324	122	223	c₁₆	c₁₆	NOUN
bjp-84324	122	224	–	–	PUNCT
bjp-84324	122	225	1c	1c	NUM
bjp-84324	122	226	,	,	PUNCT
bjp-84324	122	227	s	s	NOUN
bjp-84324	122	228	)	)	PUNCT
bjp-84324	122	229	,	,	PUNCT
bjp-84324	122	230	174.24	174.24	NUM
bjp-84324	122	231	(	(	PUNCT
bjp-84324	122	232	c₁₇	c₁₇	NOUN
bjp-84324	122	233	–	–	PUNCT
bjp-84324	122	234	1c	1c	NUM
bjp-84324	122	235	,	,	PUNCT
bjp-84324	122	236	s	s	NOUN
bjp-84324	122	237	)	)	PUNCT
bjp-84324	122	238	,	,	PUNCT
bjp-84324	122	239	175.61	175.61	NUM
bjp-84324	122	240	(	(	PUNCT
bjp-84324	122	241	c₁₈	c₁₈	NOUN
bjp-84324	122	242	–	–	PUNCT
bjp-84324	122	243	1c	1c	NUM
bjp-84324	122	244	,	,	PUNCT
bjp-84324	122	245	s	s	NOUN
bjp-84324	122	246	)	)	PUNCT
bjp-84324	122	247	.	.	PUNCT
bjp-84324	123	1	eims	eim	NOUN
bjp-84324	123	2	:	:	PUNCT
bjp-84324	123	3	m	m	X
bjp-84324	123	4	/	/	SYM
bjp-84324	123	5	z	z	PROPN
bjp-84324	123	6	(	(	PUNCT
bjp-84324	123	7	rel	rel	PROPN
bjp-84324	123	8	.	.	PROPN
bjp-84324	123	9	abund	abund	PROPN
bjp-84324	123	10	.	.	PUNCT
bjp-84324	124	1	%	%	INTJ
bjp-84324	124	2	)	)	PUNCT
bjp-84324	125	1	,	,	PUNCT
bjp-84324	125	2	459.3	459.3	NUM
bjp-84324	125	3	(	(	PUNCT
bjp-84324	125	4	m+,38	m+,38	NOUN
bjp-84324	125	5	)	)	PUNCT
bjp-84324	125	6	,	,	PUNCT
bjp-84324	125	7	349.2	349.2	NUM
bjp-84324	125	8	(	(	PUNCT
bjp-84324	125	9	35	35	NUM
bjp-84324	125	10	)	)	PUNCT
bjp-84324	125	11	,	,	PUNCT
bjp-84324	125	12	294.2	294.2	NUM
bjp-84324	125	13	(	(	PUNCT
bjp-84324	125	14	16	16	NUM
bjp-84324	125	15	)	)	PUNCT
bjp-84324	125	16	,	,	PUNCT
bjp-84324	125	17	239	239	NUM
bjp-84324	125	18	(	(	PUNCT
bjp-84324	125	19	7	7	NUM
bjp-84324	125	20	)	)	PUNCT
bjp-84324	125	21	,	,	PUNCT
bjp-84324	125	22	165.1(84	165.1(84	PROPN
bjp-84324	125	23	)	)	PUNCT
bjp-84324	125	24	,	,	PUNCT
bjp-84324	125	25	148	148	NUM
bjp-84324	125	26	(	(	PUNCT
bjp-84324	125	27	100	100	NUM
bjp-84324	125	28	)	)	PUNCT
bjp-84324	125	29	,	,	PUNCT
bjp-84324	125	30	120	120	NUM
bjp-84324	125	31	(	(	PUNCT
bjp-84324	125	32	9	9	NUM
bjp-84324	125	33	)	)	PUNCT
bjp-84324	125	34	,	,	PUNCT
bjp-84324	125	35	83	83	NUM
bjp-84324	125	36	(	(	PUNCT
bjp-84324	125	37	37	37	NUM
bjp-84324	125	38	)	)	PUNCT
bjp-84324	125	39	;	;	PUNCT
bjp-84324	125	40	anal	anal	ADJ
bjp-84324	125	41	.	.	PUNCT
bjp-84324	125	42	calcd	calcd	NOUN
bjp-84324	125	43	for	for	ADP
bjp-84324	125	44	c26h37no6	c26h37no6	PROPN
bjp-84324	125	45	,	,	PUNCT
bjp-84324	125	46	:	:	PUNCT
bjp-84324	126	1	c	c	X
bjp-84324	126	2	,	,	PUNCT
bjp-84324	126	3	67.95	67.95	NUM
bjp-84324	126	4	;	;	PUNCT
bjp-84324	126	5	h	h	NOUN
bjp-84324	126	6	,	,	PUNCT
bjp-84324	126	7	8.11	8.11	NUM
bjp-84324	126	8	;	;	PUNCT
bjp-84324	126	9	n	n	CCONJ
bjp-84324	126	10	,	,	PUNCT
bjp-84324	126	11	3.05	3.05	NUM
bjp-84324	126	12	;	;	PUNCT
bjp-84324	126	13	o	o	NOUN
bjp-84324	126	14	,	,	PUNCT
bjp-84324	126	15	20.89	20.89	NUM
bjp-84324	126	16	;	;	PUNCT
bjp-84324	126	17	found	find	VERB
bjp-84324	126	18	:	:	PUNCT
bjp-84324	126	19	c	c	X
bjp-84324	126	20	,	,	PUNCT
bjp-84324	126	21	67.97	67.97	NUM
bjp-84324	126	22	;	;	PUNCT
bjp-84324	126	23	h	h	NOUN
bjp-84324	126	24	,	,	PUNCT
bjp-84324	126	25	8.13	8.13	NUM
bjp-84324	126	26	;	;	PUNCT
bjp-84324	126	27	n	n	CCONJ
bjp-84324	126	28	,	,	PUNCT
bjp-84324	126	29	3.03	3.03	NUM
bjp-84324	126	30	;	;	PUNCT
bjp-84324	126	31	o	o	NOUN
bjp-84324	126	32	,	,	PUNCT
bjp-84324	126	33	20.90	20.90	NUM
bjp-84324	126	34	.	.	PUNCT
bjp-84324	127	1	3-(4-(dimethylamino)benzoyloxy)propane-1,2	3-(4-(dimethylamino)benzoyloxy)propane-1,2	NUM
bjp-84324	127	2	-	-	PUNCT
bjp-84324	127	3	diyl	diyl	NOUN
bjp-84324	127	4	dicyclopentanecarboxylate	dicyclopentanecarboxylate	NOUN
bjp-84324	127	5	(	(	PUNCT
bjp-84324	127	6	10b	10b	NOUN
bjp-84324	127	7	)	)	PUNCT
bjp-84324	127	8	white	white	X
bjp-84324	127	9	solid	solid	ADJ
bjp-84324	127	10	;	;	PUNCT
bjp-84324	127	11	yield	yield	NOUN
bjp-84324	127	12	:	:	PUNCT
bjp-84324	127	13	76	76	NUM
bjp-84324	127	14	%	%	NOUN
bjp-84324	127	15	;	;	PUNCT
bjp-84324	127	16	m.p	m.p	PROPN
bjp-84324	127	17	.	.	PROPN
bjp-84324	127	18	108	108	NUM
bjp-84324	127	19	-	-	SYM
bjp-84324	127	20	112	112	NUM
bjp-84324	127	21	oc	oc	NOUN
bjp-84324	127	22	;	;	PUNCT
bjp-84324	127	23	ir	ir	PROPN
bjp-84324	127	24	(	(	PUNCT
bjp-84324	127	25	kbr	kbr	PROPN
bjp-84324	127	26	)	)	PUNCT
bjp-84324	127	27	νmax	νmax	NOUN
bjp-84324	127	28	(	(	PUNCT
bjp-84324	127	29	cm-1	cm-1	PROPN
bjp-84324	127	30	):	):	PUNCT
bjp-84324	127	31	2925	2925	NUM
bjp-84324	127	32	(	(	PUNCT
bjp-84324	127	33	c	c	NOUN
bjp-84324	127	34	-	-	PUNCT
bjp-84324	127	35	h	h	NOUN
bjp-84324	127	36	aliphatic	aliphatic	NOUN
bjp-84324	127	37	)	)	PUNCT
bjp-84324	127	38	,	,	PUNCT
bjp-84324	127	39	1692	1692	NUM
bjp-84324	127	40	(	(	PUNCT
bjp-84324	127	41	c	c	NOUN
bjp-84324	127	42	=	=	NOUN
bjp-84324	127	43	o	o	NOUN
bjp-84324	127	44	ester	ester	NOUN
bjp-84324	127	45	)	)	PUNCT
bjp-84324	127	46	,	,	PUNCT
bjp-84324	127	47	1608	1608	NUM
bjp-84324	127	48	(	(	PUNCT
bjp-84324	127	49	c	c	NOUN
bjp-84324	127	50	=	=	NOUN
bjp-84324	127	51	c	c	NOUN
bjp-84324	127	52	aromatic	aromatic	NOUN
bjp-84324	127	53	)	)	PUNCT
bjp-84324	127	54	,	,	PUNCT
bjp-84324	127	55	1273	1273	NUM
bjp-84324	127	56	(	(	PUNCT
bjp-84324	127	57	c	c	NOUN
bjp-84324	127	58	-	-	PUNCT
bjp-84324	127	59	o	o	NOUN
bjp-84324	127	60	ester	ester	NOUN
bjp-84324	127	61	)	)	PUNCT
bjp-84324	127	62	,	,	PUNCT
bjp-84324	127	63	1205.94	1205.94	NUM
bjp-84324	127	64	(	(	PUNCT
bjp-84324	127	65	c	c	NOUN
bjp-84324	127	66	-	-	PUNCT
bjp-84324	127	67	n	n	PRON
bjp-84324	127	68	amine	amine	NOUN
bjp-84324	127	69	)	)	PUNCT
bjp-84324	127	70	,	,	PUNCT
bjp-84324	127	71	1101	1101	NUM
bjp-84324	127	72	(	(	PUNCT
bjp-84324	127	73	c	c	NOUN
bjp-84324	127	74	-	-	PUNCT
bjp-84324	127	75	o	o	NOUN
bjp-84324	127	76	ether	ether	NOUN
bjp-84324	127	77	)	)	PUNCT
bjp-84324	127	78	cm-1	cm-1	NOUN
bjp-84324	127	79	;	;	PUNCT
bjp-84324	127	80	13c	13c	NOUN
bjp-84324	127	81	-	-	NOUN
bjp-84324	127	82	nmr	nmr	NOUN
bjp-84324	127	83	(	(	PUNCT
bjp-84324	127	84	cdcl3	cdcl3	NOUN
bjp-84324	127	85	,	,	PUNCT
bjp-84324	127	86	500	500	NUM
bjp-84324	127	87	mhz	mhz	NOUN
bjp-84324	127	88	,	,	PUNCT
bjp-84324	127	89	25	25	NUM
bjp-84324	127	90	°	°	NOUN
bjp-84324	127	91	c	c	X
bjp-84324	127	92	,	,	PUNCT
bjp-84324	127	93	tms	tms	PROPN
bjp-84324	127	94	)	)	PUNCT
bjp-84324	127	95	δ	δ	PROPN
bjp-84324	127	96	(	(	PUNCT
bjp-84324	127	97	ppm	ppm	PROPN
bjp-84324	127	98	):	):	PUNCT
bjp-84324	127	99	25.91	25.91	NUM
bjp-84324	127	100	(	(	PUNCT
bjp-84324	127	101	c₃₁	c₃₁	NOUN
bjp-84324	127	102	,	,	PUNCT
bjp-84324	127	103	c₃₂	c₃₂	NOUN
bjp-84324	127	104	,	,	PUNCT
bjp-84324	127	105	c₃₃	c₃₃	ADJ
bjp-84324	127	106	,	,	PUNCT
bjp-84324	127	107	c₃₄	c₃₄	NOUN
bjp-84324	127	108	–	–	PUNCT
bjp-84324	127	109	4c	4c	NOUN
bjp-84324	127	110	,	,	PUNCT
bjp-84324	127	111	s	s	PART
bjp-84324	127	112	)	)	PUNCT
bjp-84324	127	113	,	,	PUNCT
bjp-84324	127	114	29.91	29.91	NUM
bjp-84324	127	115	(	(	PUNCT
bjp-84324	127	116	c₂₇	c₂₇	NOUN
bjp-84324	127	117	,	,	PUNCT
bjp-84324	127	118	c₂₈	c₂₈	PROPN
bjp-84324	127	119	,	,	PUNCT
bjp-84324	127	120	c₂₉	c₂₉	NOUN
bjp-84324	127	121	,	,	PUNCT
bjp-84324	127	122	c₃₀	c₃₀	NOUN
bjp-84324	127	123	–	–	PUNCT
bjp-84324	127	124	4c	4c	NOUN
bjp-84324	127	125	,	,	PUNCT
bjp-84324	127	126	s	s	PART
bjp-84324	127	127	)	)	PUNCT
bjp-84324	127	128	,	,	PUNCT
bjp-84324	127	129	40.21	40.21	NUM
bjp-84324	127	130	(	(	PUNCT
bjp-84324	127	131	c₂₅	c₂₅	PROPN
bjp-84324	127	132	,	,	PUNCT
bjp-84324	127	133	c₂₆	c₂₆	ADV
bjp-84324	127	134	–	–	PUNCT
bjp-84324	127	135	2c	2c	NUM
bjp-84324	127	136	,	,	PUNCT
bjp-84324	127	137	s	s	PART
bjp-84324	127	138	)	)	PUNCT
bjp-84324	127	139	,	,	PUNCT
bjp-84324	127	140	44.41	44.41	NUM
bjp-84324	127	141	(	(	PUNCT
bjp-84324	127	142	c₂₄	c₂₄	PROPN
bjp-84324	127	143	,	,	PUNCT
bjp-84324	127	144	c₂₄′	c₂₄′	PROPN
bjp-84324	127	145	–	–	PUNCT
bjp-84324	127	146	2c	2c	NUM
bjp-84324	127	147	,	,	PUNCT
bjp-84324	127	148	s	s	PART
bjp-84324	127	149	)	)	PUNCT
bjp-84324	127	150	,	,	PUNCT
bjp-84324	127	151	62.41	62.41	NUM
bjp-84324	127	152	(	(	PUNCT
bjp-84324	127	153	c₂₁	c₂₁	NOUN
bjp-84324	127	154	,	,	PUNCT
bjp-84324	127	155	c₂₂	c₂₂	ADJ
bjp-84324	127	156	–	–	PUNCT
bjp-84324	127	157	2c	2c	NUM
bjp-84324	127	158	,	,	PUNCT
bjp-84324	127	159	s	s	PART
bjp-84324	127	160	)	)	PUNCT
bjp-84324	127	161	,	,	PUNCT
bjp-84324	127	162	69.17	69.17	NUM
bjp-84324	127	163	(	(	PUNCT
bjp-84324	127	164	c₂₀	c₂₀	NOUN
bjp-84324	127	165	–	–	PUNCT
bjp-84324	127	166	1c	1c	NUM
bjp-84324	127	167	,	,	PUNCT
bjp-84324	127	168	s	s	NOUN
bjp-84324	127	169	)	)	PUNCT
bjp-84324	127	170	,	,	PUNCT
bjp-84324	127	171	110.56	110.56	NUM
bjp-84324	127	172	(	(	PUNCT
bjp-84324	127	173	c₁₀	c₁₀	NOUN
bjp-84324	127	174	,	,	PUNCT
bjp-84324	127	175	c₁₁	c₁₁	ADJ
bjp-84324	127	176	–	–	PUNCT
bjp-84324	127	177	2c	2c	NUM
bjp-84324	127	178	,	,	PUNCT
bjp-84324	127	179	s	s	PART
bjp-84324	127	180	)	)	PUNCT
bjp-84324	127	181	,	,	PUNCT
bjp-84324	127	182	122.91	122.91	NUM
bjp-84324	127	183	(	(	PUNCT
bjp-84324	127	184	c₁₂	c₁₂	NOUN
bjp-84324	127	185	–	–	PUNCT
bjp-84324	127	186	1c	1c	NUM
bjp-84324	127	187	,	,	PUNCT
bjp-84324	127	188	s	s	NOUN
bjp-84324	127	189	)	)	PUNCT
bjp-84324	127	190	,	,	PUNCT
bjp-84324	127	191	130.71	130.71	NUM
bjp-84324	127	192	(	(	PUNCT
bjp-84324	127	193	c₁₃	c₁₃	PROPN
bjp-84324	127	194	,	,	PUNCT
bjp-84324	127	195	c₁₄	c₁₄	NOUN
bjp-84324	127	196	–	–	PUNCT
bjp-84324	127	197	2c	2c	NUM
bjp-84324	127	198	,	,	PUNCT
bjp-84324	127	199	s	s	PART
bjp-84324	127	200	)	)	PUNCT
bjp-84324	127	201	,	,	PUNCT
bjp-84324	127	202	153.11	153.11	NUM
bjp-84324	127	203	(	(	PUNCT
bjp-84324	127	204	c₁₅	c₁₅	ADJ
bjp-84324	127	205	–	–	PUNCT
bjp-84324	127	206	1c	1c	NUM
bjp-84324	127	207	,	,	PUNCT
bjp-84324	127	208	s	s	NOUN
bjp-84324	127	209	)	)	PUNCT
bjp-84324	127	210	,	,	PUNCT
bjp-84324	127	211	166.31	166.31	NUM
bjp-84324	127	212	(	(	PUNCT
bjp-84324	127	213	c₁₆	c₁₆	NOUN
bjp-84324	127	214	–	–	PUNCT
bjp-84324	127	215	1c	1c	NUM
bjp-84324	127	216	,	,	PUNCT
bjp-84324	127	217	s	s	NOUN
bjp-84324	127	218	)	)	PUNCT
bjp-84324	127	219	,	,	PUNCT
bjp-84324	127	220	171.51	171.51	NUM
bjp-84324	127	221	(	(	PUNCT
bjp-84324	127	222	c₁₇	c₁₇	NOUN
bjp-84324	127	223	,	,	PUNCT
bjp-84324	127	224	c₁₈	c₁₈	NOUN
bjp-84324	127	225	–	–	PUNCT
bjp-84324	127	226	2c	2c	NUM
bjp-84324	127	227	,	,	PUNCT
bjp-84324	127	228	s	s	PART
bjp-84324	127	229	)	)	PUNCT
bjp-84324	127	230	.	.	PUNCT
bjp-84324	127	231	;	;	PUNCT
bjp-84324	127	232	eims	eim	NOUN
bjp-84324	127	233	:	:	PUNCT
bjp-84324	127	234	m	m	X
bjp-84324	127	235	/	/	SYM
bjp-84324	127	236	z	z	PROPN
bjp-84324	127	237	(	(	PUNCT
bjp-84324	127	238	rel	rel	PROPN
bjp-84324	127	239	.	.	PROPN
bjp-84324	127	240	abund	abund	PROPN
bjp-84324	127	241	.	.	PUNCT
bjp-84324	128	1	%	%	INTJ
bjp-84324	128	2	)	)	PUNCT
bjp-84324	129	1	,	,	PUNCT
bjp-84324	129	2	459.3	459.3	NUM
bjp-84324	129	3	(	(	PUNCT
bjp-84324	129	4	m+,38	m+,38	NOUN
bjp-84324	129	5	)	)	PUNCT
bjp-84324	129	6	,	,	PUNCT
bjp-84324	129	7	349.2	349.2	NUM
bjp-84324	129	8	(	(	PUNCT
bjp-84324	129	9	35	35	NUM
bjp-84324	129	10	)	)	PUNCT
bjp-84324	129	11	,	,	PUNCT
bjp-84324	129	12	294.2	294.2	NUM
bjp-84324	129	13	(	(	PUNCT
bjp-84324	129	14	16	16	NUM
bjp-84324	129	15	)	)	PUNCT
bjp-84324	129	16	,	,	PUNCT
bjp-84324	129	17	239	239	NUM
bjp-84324	129	18	(	(	PUNCT
bjp-84324	129	19	7	7	NUM
bjp-84324	129	20	)	)	PUNCT
bjp-84324	129	21	,	,	PUNCT
bjp-84324	129	22	165.1(84	165.1(84	PROPN
bjp-84324	129	23	)	)	PUNCT
bjp-84324	129	24	,	,	PUNCT
bjp-84324	129	25	148	148	NUM
bjp-84324	129	26	(	(	PUNCT
bjp-84324	129	27	100	100	NUM
bjp-84324	129	28	)	)	PUNCT
bjp-84324	129	29	,	,	PUNCT
bjp-84324	129	30	120	120	NUM
bjp-84324	129	31	(	(	PUNCT
bjp-84324	129	32	9	9	NUM
bjp-84324	129	33	)	)	PUNCT
bjp-84324	129	34	,	,	PUNCT
bjp-84324	129	35	83	83	NUM
bjp-84324	129	36	(	(	PUNCT
bjp-84324	129	37	37	37	NUM
bjp-84324	129	38	)	)	PUNCT
bjp-84324	129	39	;	;	PUNCT
bjp-84324	129	40	anal	anal	ADJ
bjp-84324	129	41	.	.	PUNCT
bjp-84324	129	42	calcd	calcd	NOUN
bjp-84324	129	43	for	for	ADP
bjp-84324	129	44	c₂₄h₃₃no₆	c₂₄h₃₃no₆	PROPN
bjp-84324	129	45	,	,	PUNCT
bjp-84324	129	46	:	:	PUNCT
bjp-84324	129	47	c	c	X
bjp-84324	129	48	,	,	PUNCT
bjp-84324	129	49	67.95	67.95	NUM
bjp-84324	129	50	;	;	PUNCT
bjp-84324	129	51	h	h	NOUN
bjp-84324	129	52	,	,	PUNCT
bjp-84324	129	53	8.11	8.11	NUM
bjp-84324	129	54	;	;	PUNCT
bjp-84324	129	55	n	n	CCONJ
bjp-84324	129	56	,	,	PUNCT
bjp-84324	129	57	3.05	3.05	NUM
bjp-84324	129	58	;	;	PUNCT
bjp-84324	129	59	o	o	NOUN
bjp-84324	129	60	,	,	PUNCT
bjp-84324	129	61	20.89	20.89	NUM
bjp-84324	129	62	;	;	PUNCT
bjp-84324	129	63	found	find	VERB
bjp-84324	129	64	:	:	PUNCT
bjp-84324	129	65	c	c	X
bjp-84324	129	66	,	,	PUNCT
bjp-84324	129	67	67.97	67.97	NUM
bjp-84324	129	68	;	;	PUNCT
bjp-84324	129	69	h	h	NOUN
bjp-84324	129	70	,	,	PUNCT
bjp-84324	129	71	8.13	8.13	NUM
bjp-84324	129	72	;	;	PUNCT
bjp-84324	129	73	n	n	CCONJ
bjp-84324	129	74	,	,	PUNCT
bjp-84324	129	75	3.03	3.03	NUM
bjp-84324	129	76	;	;	PUNCT
bjp-84324	129	77	o	o	NOUN
bjp-84324	129	78	,	,	PUNCT
bjp-84324	129	79	20.90	20.90	NUM
bjp-84324	129	80	.	.	PUNCT
bjp-84324	130	1	3-(4-(dimethylamino)benzoyloxy)propane-1,2	3-(4-(dimethylamino)benzoyloxy)propane-1,2	NUM
bjp-84324	130	2	-	-	PUNCT
bjp-84324	130	3	diyl	diyl	NOUN
bjp-84324	130	4	dicyclobutanecarboxylate	dicyclobutanecarboxylate	ADJ
bjp-84324	130	5	(	(	PUNCT
bjp-84324	130	6	10c	10c	NOUN
bjp-84324	130	7	)	)	PUNCT
bjp-84324	130	8	white	white	X
bjp-84324	130	9	solid	solid	ADJ
bjp-84324	130	10	;	;	PUNCT
bjp-84324	130	11	yield	yield	NOUN
bjp-84324	130	12	:	:	PUNCT
bjp-84324	130	13	69	69	NUM
bjp-84324	130	14	%	%	NOUN
bjp-84324	130	15	;	;	PUNCT
bjp-84324	130	16	m.p	m.p	PROPN
bjp-84324	130	17	.	.	PROPN
bjp-84324	130	18	89	89	NUM
bjp-84324	130	19	-	-	SYM
bjp-84324	130	20	92	92	NUM
bjp-84324	130	21	oc	oc	NOUN
bjp-84324	130	22	;	;	PUNCT
bjp-84324	130	23	ir	ir	PROPN
bjp-84324	130	24	(	(	PUNCT
bjp-84324	130	25	kbr	kbr	PROPN
bjp-84324	130	26	)	)	PUNCT
bjp-84324	130	27	νmax	νmax	NOUN
bjp-84324	130	28	(	(	PUNCT
bjp-84324	130	29	cm	cm	NOUN
bjp-84324	130	30	-1	-1	PRON
bjp-84324	130	31	):	):	PUNCT
bjp-84324	130	32	2937	2937	NUM
bjp-84324	130	33	(	(	PUNCT
bjp-84324	130	34	c	c	NOUN
bjp-84324	130	35	-	-	PUNCT
bjp-84324	130	36	h	h	NOUN
bjp-84324	130	37	aliphatic	aliphatic	NOUN
bjp-84324	130	38	)	)	PUNCT
bjp-84324	130	39	,	,	PUNCT
bjp-84324	130	40	1693	1693	NUM
bjp-84324	130	41	(	(	PUNCT
bjp-84324	130	42	c	c	NOUN
bjp-84324	130	43	=	=	NOUN
bjp-84324	130	44	o	o	NOUN
bjp-84324	130	45	ester	ester	NOUN
bjp-84324	130	46	)	)	PUNCT
bjp-84324	130	47	,	,	PUNCT
bjp-84324	130	48	1607	1607	NUM
bjp-84324	130	49	(	(	PUNCT
bjp-84324	130	50	c	c	NOUN
bjp-84324	130	51	=	=	NOUN
bjp-84324	130	52	c	c	NOUN
bjp-84324	130	53	aromatic	aromatic	NOUN
bjp-84324	130	54	)	)	PUNCT
bjp-84324	130	55	,	,	PUNCT
bjp-84324	130	56	1272	1272	NUM
bjp-84324	130	57	(	(	PUNCT
bjp-84324	130	58	c	c	NOUN
bjp-84324	130	59	-	-	PUNCT
bjp-84324	130	60	o	o	NOUN
bjp-84324	130	61	ester	ester	NOUN
bjp-84324	130	62	)	)	PUNCT
bjp-84324	130	63	,	,	PUNCT
bjp-84324	130	64	1179	1179	NUM
bjp-84324	130	65	(	(	PUNCT
bjp-84324	130	66	c	c	NOUN
bjp-84324	130	67	-	-	PUNCT
bjp-84324	130	68	n	n	PRON
bjp-84324	130	69	amine	amine	NOUN
bjp-84324	130	70	)	)	PUNCT
bjp-84324	130	71	,	,	PUNCT
bjp-84324	130	72	1102	1102	NUM
bjp-84324	130	73	(	(	PUNCT
bjp-84324	130	74	co	co	NOUN
bjp-84324	130	75	ether	ether	NOUN
bjp-84324	130	76	)	)	PUNCT
bjp-84324	130	77	cm-1	cm-1	PROPN
bjp-84324	130	78	;	;	PUNCT
bjp-84324	130	79	13c	13c	NOUN
bjp-84324	130	80	-	-	NOUN
bjp-84324	130	81	nmr	nmr	NOUN
bjp-84324	130	82	(	(	PUNCT
bjp-84324	130	83	cdcl3	cdcl3	NOUN
bjp-84324	130	84	,	,	PUNCT
bjp-84324	130	85	500	500	NUM
bjp-84324	130	86	mhz	mhz	NOUN
bjp-84324	130	87	,	,	PUNCT
bjp-84324	130	88	25	25	NUM
bjp-84324	130	89	°	°	NOUN
bjp-84324	130	90	c	c	X
bjp-84324	130	91	,	,	PUNCT
bjp-84324	130	92	tms	tms	PROPN
bjp-84324	130	93	)	)	PUNCT
bjp-84324	130	94	δ	δ	PROPN
bjp-84324	130	95	(	(	PUNCT
bjp-84324	130	96	ppm	ppm	PROPN
bjp-84324	130	97	):	):	PUNCT
bjp-84324	130	98	18.52	18.52	NUM
bjp-84324	130	99	(	(	PUNCT
bjp-84324	130	100	c₂₅	c₂₅	PROPN
bjp-84324	130	101	,	,	PUNCT
bjp-84324	130	102	c₂₆	c₂₆	ADV
bjp-84324	130	103	–	–	PUNCT
bjp-84324	130	104	2c	2c	NUM
bjp-84324	130	105	,	,	PUNCT
bjp-84324	130	106	s	s	PART
bjp-84324	130	107	)	)	PUNCT
bjp-84324	130	108	,	,	PUNCT
bjp-84324	130	109	24.95	24.95	NUM
bjp-84324	130	110	(	(	PUNCT
bjp-84324	130	111	c₂₃	c₂₃	NOUN
bjp-84324	130	112	,	,	PUNCT
bjp-84324	130	113	c₂₄	c₂₄	NOUN
bjp-84324	130	114	,	,	PUNCT
bjp-84324	130	115	c₂₇	c₂₇	NOUN
bjp-84324	130	116	,	,	PUNCT
bjp-84324	130	117	c₂₈	c₂₈	ADJ
bjp-84324	130	118	–	–	PUNCT
bjp-84324	130	119	4c	4c	NOUN
bjp-84324	130	120	,	,	PUNCT
bjp-84324	130	121	s	s	PART
bjp-84324	130	122	)	)	PUNCT
bjp-84324	130	123	,	,	PUNCT
bjp-84324	130	124	34.11	34.11	NUM
bjp-84324	130	125	(	(	PUNCT
bjp-84324	130	126	c₂₁	c₂₁	NOUN
bjp-84324	130	127	,	,	PUNCT
bjp-84324	130	128	c₂₂	c₂₂	ADJ
bjp-84324	130	129	–	–	PUNCT
bjp-84324	130	130	2c	2c	NUM
bjp-84324	130	131	,	,	PUNCT
bjp-84324	130	132	s	s	PART
bjp-84324	130	133	)	)	PUNCT
bjp-84324	130	134	,	,	PUNCT
bjp-84324	130	135	40.21	40.21	NUM
bjp-84324	130	136	(	(	PUNCT
bjp-84324	130	137	c₂₀	c₂₀	PROPN
bjp-84324	130	138	,	,	PUNCT
bjp-84324	130	139	c₂₀′	c₂₀′	PROPN
bjp-84324	130	140	–	–	PUNCT
bjp-84324	130	141	2c	2c	NUM
bjp-84324	130	142	,	,	PUNCT
bjp-84324	130	143	s	s	PART
bjp-84324	130	144	)	)	PUNCT
bjp-84324	130	145	,	,	PUNCT
bjp-84324	130	146	62.41	62.41	NUM
bjp-84324	130	147	(	(	PUNCT
bjp-84324	130	148	c₁₈	c₁₈	PROPN
bjp-84324	130	149	,	,	PUNCT
bjp-84324	130	150	c₁₉	c₁₉	NOUN
bjp-84324	130	151	–	–	PUNCT
bjp-84324	130	152	2c	2c	NUM
bjp-84324	130	153	,	,	PUNCT
bjp-84324	130	154	s	s	PART
bjp-84324	130	155	)	)	PUNCT
bjp-84324	130	156	,	,	PUNCT
bjp-84324	130	157	69.17	69.17	NUM
bjp-84324	130	158	(	(	PUNCT
bjp-84324	130	159	c₁₇	c₁₇	NOUN
bjp-84324	130	160	–	–	PUNCT
bjp-84324	130	161	1c	1c	NUM
bjp-84324	130	162	,	,	PUNCT
bjp-84324	130	163	s	s	NOUN
bjp-84324	130	164	)	)	PUNCT
bjp-84324	130	165	,	,	PUNCT
bjp-84324	130	166	110.56	110.56	NUM
bjp-84324	130	167	(	(	PUNCT
bjp-84324	130	168	c₁₀	c₁₀	NOUN
bjp-84324	130	169	,	,	PUNCT
bjp-84324	130	170	c₁₁	c₁₁	ADJ
bjp-84324	130	171	–	–	PUNCT
bjp-84324	130	172	2c	2c	NUM
bjp-84324	130	173	,	,	PUNCT
bjp-84324	130	174	s	s	PART
bjp-84324	130	175	)	)	PUNCT
bjp-84324	130	176	,	,	PUNCT
bjp-84324	130	177	122.91	122.91	NUM
bjp-84324	130	178	(	(	PUNCT
bjp-84324	130	179	c₁₂	c₁₂	NOUN
bjp-84324	130	180	–	–	PUNCT
bjp-84324	130	181	1c	1c	NUM
bjp-84324	130	182	,	,	PUNCT
bjp-84324	130	183	s	s	NOUN
bjp-84324	130	184	)	)	PUNCT
bjp-84324	130	185	,	,	PUNCT
bjp-84324	130	186	130.71	130.71	NUM
bjp-84324	130	187	(	(	PUNCT
bjp-84324	130	188	c₁₃	c₁₃	PROPN
bjp-84324	130	189	,	,	PUNCT
bjp-84324	130	190	c₁₄	c₁₄	NOUN
bjp-84324	130	191	–	–	PUNCT
bjp-84324	130	192	2c	2c	NUM
bjp-84324	130	193	,	,	PUNCT
bjp-84324	130	194	s	s	PART
bjp-84324	130	195	)	)	PUNCT
bjp-84324	130	196	,	,	PUNCT
bjp-84324	130	197	153.11	153.11	NUM
bjp-84324	130	198	(	(	PUNCT
bjp-84324	130	199	c₁₅	c₁₅	ADJ
bjp-84324	130	200	–	–	PUNCT
bjp-84324	130	201	1c	1c	NUM
bjp-84324	130	202	,	,	PUNCT
bjp-84324	130	203	s	s	NOUN
bjp-84324	130	204	)	)	PUNCT
bjp-84324	130	205	,	,	PUNCT
bjp-84324	130	206	166.31	166.31	NUM
bjp-84324	130	207	(	(	PUNCT
bjp-84324	130	208	c₁₆	c₁₆	NOUN
bjp-84324	130	209	–	–	PUNCT
bjp-84324	130	210	1c	1c	NUM
bjp-84324	130	211	,	,	PUNCT
bjp-84324	130	212	s	s	NOUN
bjp-84324	130	213	)	)	PUNCT
bjp-84324	130	214	,	,	PUNCT
bjp-84324	130	215	173.61	173.61	NUM
bjp-84324	130	216	(	(	PUNCT
bjp-84324	130	217	c₈	c₈	PROPN
bjp-84324	130	218	–	–	PUNCT
bjp-84324	130	219	1c	1c	NUM
bjp-84324	130	220	,	,	PUNCT
bjp-84324	130	221	s	s	NOUN
bjp-84324	130	222	)	)	PUNCT
bjp-84324	130	223	,	,	PUNCT
bjp-84324	130	224	175.11	175.11	NUM
bjp-84324	130	225	(	(	PUNCT
bjp-84324	130	226	c₉	c₉	ADJ
bjp-84324	130	227	–	–	PUNCT
bjp-84324	130	228	1c	1c	NUM
bjp-84324	130	229	,	,	PUNCT
bjp-84324	130	230	s	s	NOUN
bjp-84324	130	231	)	)	PUNCT
bjp-84324	130	232	.	.	PUNCT
bjp-84324	130	233	;	;	PUNCT
bjp-84324	130	234	eims	eim	NOUN
bjp-84324	130	235	:	:	PUNCT
bjp-84324	130	236	m	m	X
bjp-84324	130	237	/	/	SYM
bjp-84324	130	238	z	z	PROPN
bjp-84324	130	239	(	(	PUNCT
bjp-84324	130	240	rel	rel	PROPN
bjp-84324	130	241	.	.	PROPN
bjp-84324	130	242	abund	abund	PROPN
bjp-84324	130	243	.	.	PUNCT
bjp-84324	131	1	%	%	INTJ
bjp-84324	131	2	)	)	PUNCT
bjp-84324	132	1	,	,	PUNCT
bjp-84324	132	2	431.3	431.3	NUM
bjp-84324	132	3	(	(	PUNCT
bjp-84324	132	4	m+,90	m+,90	NOUN
bjp-84324	132	5	)	)	PUNCT
bjp-84324	132	6	,	,	PUNCT
bjp-84324	132	7	417.3	417.3	NUM
bjp-84324	132	8	(	(	PUNCT
bjp-84324	132	9	3	3	NUM
bjp-84324	132	10	)	)	PUNCT
bjp-84324	132	11	,	,	PUNCT
bjp-84324	132	12	318.2	318.2	NUM
bjp-84324	132	13	(	(	PUNCT
bjp-84324	132	14	4	4	NUM
bjp-84324	132	15	)	)	PUNCT
bjp-84324	132	16	,	,	PUNCT
bjp-84324	132	17	266	266	NUM
bjp-84324	132	18	(	(	PUNCT
bjp-84324	132	19	51	51	NUM
bjp-84324	132	20	)	)	PUNCT
bjp-84324	132	21	,	,	PUNCT
bjp-84324	132	22	165.1(52	165.1(52	NUM
bjp-84324	132	23	)	)	PUNCT
bjp-84324	132	24	,	,	PUNCT
bjp-84324	132	25	148	148	NUM
bjp-84324	132	26	(	(	PUNCT
bjp-84324	132	27	100	100	NUM
bjp-84324	132	28	)	)	PUNCT
bjp-84324	132	29	,	,	PUNCT
bjp-84324	132	30	120	120	NUM
bjp-84324	132	31	(	(	PUNCT
bjp-84324	132	32	9	9	NUM
bjp-84324	132	33	)	)	PUNCT
bjp-84324	132	34	,	,	PUNCT
bjp-84324	132	35	97.1	97.1	NUM
bjp-84324	132	36	(	(	PUNCT
bjp-84324	132	37	24	24	NUM
bjp-84324	132	38	)	)	PUNCT
bjp-84324	132	39	,	,	PUNCT
bjp-84324	132	40	69.1	69.1	NUM
bjp-84324	132	41	(	(	PUNCT
bjp-84324	132	42	72	72	NUM
bjp-84324	132	43	)	)	PUNCT
bjp-84324	132	44	;	;	PUNCT
bjp-84324	132	45	anal	anal	ADJ
bjp-84324	132	46	.	.	PUNCT
bjp-84324	132	47	calcd	calcd	NOUN
bjp-84324	132	48	for	for	ADP
bjp-84324	132	49	c22h29no₆	c22h29no₆	PROPN
bjp-84324	132	50	,	,	PUNCT
bjp-84324	132	51	:	:	PUNCT
bjp-84324	132	52	c	c	X
bjp-84324	132	53	,	,	PUNCT
bjp-84324	132	54	66.80	66.80	NUM
bjp-84324	132	55	;	;	PUNCT
bjp-84324	132	56	h	h	NOUN
bjp-84324	132	57	,	,	PUNCT
bjp-84324	132	58	7.71	7.71	NUM
bjp-84324	132	59	;	;	PUNCT
bjp-84324	132	60	n	n	CCONJ
bjp-84324	132	61	,	,	PUNCT
bjp-84324	132	62	3.25	3.25	NUM
bjp-84324	132	63	;	;	PUNCT
bjp-84324	132	64	o	o	NOUN
bjp-84324	132	65	,	,	PUNCT
bjp-84324	132	66	22.25	22.25	NUM
bjp-84324	132	67	;	;	PUNCT
bjp-84324	132	68	found	find	VERB
bjp-84324	132	69	:	:	PUNCT
bjp-84324	132	70	c	c	X
bjp-84324	132	71	,	,	PUNCT
bjp-84324	132	72	66.78	66.78	NUM
bjp-84324	132	73	;	;	PUNCT
bjp-84324	132	74	h	h	NOUN
bjp-84324	132	75	,	,	PUNCT
bjp-84324	132	76	7.70	7.70	NUM
bjp-84324	132	77	;	;	PUNCT
bjp-84324	132	78	n	n	CCONJ
bjp-84324	132	79	,	,	PUNCT
bjp-84324	132	80	3.26	3.26	NUM
bjp-84324	132	81	;	;	PUNCT
bjp-84324	132	82	o	o	NOUN
bjp-84324	132	83	,	,	PUNCT
bjp-84324	132	84	22.28	22.28	NUM
bjp-84324	132	85	.	.	PUNCT
bjp-84324	133	1	urease	urease	VERB
bjp-84324	133	2	inhibition	inhibition	NOUN
bjp-84324	133	3	activity	activity	NOUN
bjp-84324	133	4	all	all	DET
bjp-84324	133	5	compounds	compound	NOUN
bjp-84324	133	6	(	(	PUNCT
bjp-84324	133	7	10a	10a	NOUN
bjp-84324	133	8	–	–	PUNCT
bjp-84324	133	9	c	c	NOUN
bjp-84324	133	10	)	)	PUNCT
bjp-84324	133	11	showed	show	VERB
bjp-84324	133	12	urease	urease	NOUN
bjp-84324	133	13	inhibition	inhibition	NOUN
bjp-84324	133	14	with	with	ADP
bjp-84324	133	15	ic₅₀	ic₅₀	PROPN
bjp-84324	133	16	values	value	NOUN
bjp-84324	133	17	ranging	range	VERB
bjp-84324	133	18	from	from	ADP
bjp-84324	133	19	14.2	14.2	NUM
bjp-84324	133	20	±	±	NUM
bjp-84324	133	21	0.7	0.7	NUM
bjp-84324	133	22	µm	µm	NOUN
bjp-84324	133	23	to	to	ADP
bjp-84324	133	24	28.5	28.5	NUM
bjp-84324	133	25	±	±	NUM
bjp-84324	134	1	0.3	0.3	NUM
bjp-84324	134	2	µm	µm	NOUN
bjp-84324	134	3	.	.	PROPN
bjp-84324	134	4	thiourea	thiourea	PROPN
bjp-84324	134	5	exhibited	exhibit	VERB
bjp-84324	134	6	an	an	DET
bjp-84324	134	7	ic₅₀	ic₅₀	PROPN
bjp-84324	134	8	of	of	ADP
bjp-84324	134	9	21.6	21.6	NUM
bjp-84324	134	10	±	±	NUM
bjp-84324	134	11	0.1	0.1	NUM
bjp-84324	134	12	µm	µm	NOUN
bjp-84324	134	13	.	.	PUNCT
bjp-84324	135	1	compound	compound	PROPN
bjp-84324	135	2	(	(	PUNCT
bjp-84324	135	3	10a	10a	NOUN
bjp-84324	135	4	)	)	PUNCT
bjp-84324	135	5	showed	show	VERB
bjp-84324	135	6	the	the	DET
bjp-84324	135	7	highest	high	ADJ
bjp-84324	135	8	activity	activity	NOUN
bjp-84324	135	9	(	(	PUNCT
bjp-84324	135	10	ic₅₀	ic₅₀	PROPN
bjp-84324	135	11	=	=	SYM
bjp-84324	135	12	14.2	14.2	NUM
bjp-84324	135	13	±	±	NUM
bjp-84324	135	14	0.7	0.7	NUM
bjp-84324	135	15	µm	µm	NOUN
bjp-84324	135	16	)	)	PUNCT
bjp-84324	135	17	,	,	PUNCT
bjp-84324	135	18	followed	follow	VERB
bjp-84324	135	19	by	by	ADP
bjp-84324	135	20	compound	compound	NOUN
bjp-84324	135	21	(	(	PUNCT
bjp-84324	135	22	10b	10b	NOUN
bjp-84324	135	23	)	)	PUNCT
bjp-84324	135	24	(	(	PUNCT
bjp-84324	135	25	ic₅₀	ic₅₀	PROPN
bjp-84324	135	26	=	=	SYM
bjp-84324	135	27	22.5	22.5	NUM
bjp-84324	135	28	±	±	NUM
bjp-84324	135	29	0.2	0.2	NUM
bjp-84324	135	30	µm	µm	NOUN
bjp-84324	135	31	)	)	PUNCT
bjp-84324	135	32	and	and	CCONJ
bjp-84324	135	33	compound	compound	NOUN
bjp-84324	135	34	(	(	PUNCT
bjp-84324	135	35	10c	10c	NUM
bjp-84324	135	36	)	)	PUNCT
bjp-84324	135	37	(	(	PUNCT
bjp-84324	135	38	ic₅₀	ic₅₀	PROPN
bjp-84324	135	39	=	=	SYM
bjp-84324	135	40	28.5	28.5	NUM
bjp-84324	135	41	±	±	NUM
bjp-84324	135	42	0.3	0.3	NUM
bjp-84324	135	43	µm	µm	NOUN
bjp-84324	135	44	)	)	PUNCT
bjp-84324	135	45	.	.	PUNCT
bjp-84324	136	1	percent	percent	NOUN
bjp-84324	136	2	inhibition	inhibition	NOUN
bjp-84324	136	3	at	at	ADP
bjp-84324	136	4	1	1	NUM
bjp-84324	136	5	mm	mm	NOUN
bjp-84324	136	6	concentration	concentration	NOUN
bjp-84324	136	7	for	for	ADP
bjp-84324	136	8	each	each	DET
bjp-84324	136	9	compound	compound	NOUN
bjp-84324	136	10	is	be	AUX
bjp-84324	136	11	provided	provide	VERB
bjp-84324	136	12	in	in	ADP
bjp-84324	136	13	table	table	NOUN
bjp-84324	136	14	i.	i.	PROPN
bjp-84324	136	15	computational	computational	ADJ
bjp-84324	136	16	studies	study	NOUN
bjp-84324	136	17	docking	dock	VERB
bjp-84324	136	18	study	study	NOUN
bjp-84324	136	19	docking	dock	VERB
bjp-84324	136	20	with	with	ADP
bjp-84324	136	21	jack	jack	PROPN
bjp-84324	136	22	bean	bean	PROPN
bjp-84324	136	23	urease	urease	NOUN
bjp-84324	136	24	complexed	complexe	VERB
bjp-84324	136	25	with	with	ADP
bjp-84324	136	26	acetohydroxamic	acetohydroxamic	ADJ
bjp-84324	136	27	acid	acid	NOUN
bjp-84324	136	28	showed	show	VERB
bjp-84324	136	29	that	that	SCONJ
bjp-84324	136	30	compound	compound	NOUN
bjp-84324	136	31	(	(	PUNCT
bjp-84324	136	32	10a	10a	NUM
bjp-84324	136	33	)	)	PUNCT
bjp-84324	136	34	formed	form	VERB
bjp-84324	136	35	hydrogen	hydrogen	NOUN
bjp-84324	136	36	bonds	bond	NOUN
bjp-84324	136	37	with	with	ADP
bjp-84324	136	38	cme592	cme592	PROPN
bjp-84324	136	39	(	(	PUNCT
bjp-84324	136	40	3.07	3.07	NUM
bjp-84324	136	41	å	å	NOUN
bjp-84324	136	42	)	)	PUNCT
bjp-84324	136	43	and	and	CCONJ
bjp-84324	136	44	arg439	arg439	PROPN
bjp-84324	136	45	(	(	PUNCT
bjp-84324	136	46	2.06	2.06	NUM
bjp-84324	136	47	å	å	NOUN
bjp-84324	136	48	)	)	PUNCT
bjp-84324	136	49	and	and	CCONJ
bjp-84324	136	50	π	π	ADJ
bjp-84324	136	51	-	-	ADJ
bjp-84324	136	52	alkyl	alkyl	ADJ
bjp-84324	136	53	interactions	interaction	NOUN
bjp-84324	136	54	with	with	ADP
bjp-84324	136	55	ala440	ala440	PROPN
bjp-84324	136	56	and	and	CCONJ
bjp-84324	136	57	his492	his492	PROPN
bjp-84324	136	58	.	.	PUNCT
bjp-84324	137	1	binding	bind	VERB
bjp-84324	137	2	energies	energy	NOUN
bjp-84324	137	3	were	be	AUX
bjp-84324	137	4	:	:	PUNCT
bjp-84324	137	5	10a(r	10a(r	NUM
bjp-84324	137	6	)	)	PUNCT
bjp-84324	137	7	=	=	PUNCT
bjp-84324	138	1	−6.26	−6.26	PUNCT
bjp-84324	138	2	kcal/	kcal/	NUM
bjp-84324	138	3	mol	mol	NOUN
bjp-84324	138	4	,	,	PUNCT
bjp-84324	138	5	10a(s	10a(s	NUM
bjp-84324	138	6	)	)	PUNCT
bjp-84324	138	7	=	=	SYM
bjp-84324	138	8	−5.86	−5.86	PROPN
bjp-84324	138	9	kcal	kcal	PROPN
bjp-84324	138	10	/	/	SYM
bjp-84324	138	11	mol	mol	PROPN
bjp-84324	138	12	,	,	PUNCT
bjp-84324	138	13	and	and	CCONJ
bjp-84324	138	14	thiourea	thiourea	NOUN
bjp-84324	138	15	=	=	PUNCT
bjp-84324	139	1	−3.26	−3.26	ADJ
bjp-84324	139	2	kcal	kcal	NOUN
bjp-84324	139	3	/	/	SYM
bjp-84324	139	4	mol	mol	PROPN
bjp-84324	139	5	(	(	PUNCT
bjp-84324	139	6	figure	figure	NOUN
bjp-84324	139	7	3	3	NUM
bjp-84324	139	8	)	)	PUNCT
bjp-84324	139	9	.	.	PUNCT
bjp-84324	140	1	the	the	DET
bjp-84324	140	2	strongest	strong	ADJ
bjp-84324	140	3	docked	docked	ADJ
bjp-84324	140	4	conformations	conformation	NOUN
bjp-84324	140	5	for	for	ADP
bjp-84324	140	6	compounds	compound	NOUN
bjp-84324	140	7	10a(r	10a(r	NUM
bjp-84324	140	8	)	)	PUNCT
bjp-84324	140	9	,	,	PUNCT
bjp-84324	140	10	10a(s	10a(s	NUM
bjp-84324	140	11	)	)	PUNCT
bjp-84324	140	12	,	,	PUNCT
bjp-84324	140	13	and	and	CCONJ
bjp-84324	140	14	thiourea	thiourea	NOUN
bjp-84324	140	15	are	be	AUX
bjp-84324	140	16	illustrated	illustrate	VERB
bjp-84324	140	17	(	(	PUNCT
bjp-84324	140	18	figures	figure	NOUN
bjp-84324	140	19	s11	s11	PROPN
bjp-84324	140	20	)	)	PUNCT
bjp-84324	140	21	.	.	PUNCT
bjp-84324	141	1	molecular	molecular	ADJ
bjp-84324	141	2	dynamics	dynamic	NOUN
bjp-84324	141	3	-	-	PUNCT
bjp-84324	141	4	based	base	VERB
bjp-84324	141	5	scoring	scoring	NOUN
bjp-84324	141	6	molecular	molecular	ADJ
bjp-84324	141	7	dynamics	dynamic	NOUN
bjp-84324	141	8	simulations	simulation	NOUN
bjp-84324	141	9	(	(	PUNCT
bjp-84324	141	10	15	15	NUM
bjp-84324	141	11	nsec	nsec	NOUN
bjp-84324	141	12	)	)	PUNCT
bjp-84324	141	13	were	be	AUX
bjp-84324	141	14	performed	perform	VERB
bjp-84324	141	15	on	on	ADP
bjp-84324	141	16	10a(r	10a(r	NUM
bjp-84324	141	17	)	)	PUNCT
bjp-84324	141	18	,	,	PUNCT
bjp-84324	141	19	10a(s	10a(s	NUM
bjp-84324	141	20	)	)	PUNCT
bjp-84324	141	21	,	,	PUNCT
bjp-84324	141	22	and	and	CCONJ
bjp-84324	141	23	thiourea	thiourea	NOUN
bjp-84324	141	24	.	.	PUNCT
bjp-84324	142	1	two	two	NUM
bjp-84324	142	2	scoring	scoring	NOUN
bjp-84324	142	3	functions	function	NOUN
bjp-84324	142	4	were	be	AUX
bjp-84324	142	5	calculated	calculate	VERB
bjp-84324	142	6	:	:	PUNCT
bjp-84324	142	7	scoring	scoring	NOUN
bjp-84324	142	8	function	function	NOUN
bjp-84324	142	9	1	1	NUM
bjp-84324	142	10	(	(	PUNCT
bjp-84324	142	11	interaction	interaction	NOUN
bjp-84324	142	12	fluctuation	fluctuation	NOUN
bjp-84324	142	13	)	)	PUNCT
bjp-84324	142	14	gave	give	VERB
bjp-84324	142	15	scores	score	NOUN
bjp-84324	142	16	of	of	ADP
bjp-84324	142	17	10a(r	10a(r	NUM
bjp-84324	142	18	)	)	PUNCT
bjp-84324	142	19	=	=	PUNCT
bjp-84324	143	1	0.890	0.890	NUM
bjp-84324	143	2	,	,	PUNCT
bjp-84324	143	3	10a(s	10a(s	NUM
bjp-84324	143	4	)	)	PUNCT
bjp-84324	143	5	=	=	SYM
bjp-84324	143	6	0.879	0.879	NUM
bjp-84324	143	7	,	,	PUNCT
bjp-84324	143	8	thiourea	thiourea	NOUN
bjp-84324	143	9	=	=	NOUN
bjp-84324	143	10	0.099	0.099	NUM
bjp-84324	143	11	.	.	PUNCT
bjp-84324	143	12	scoring	score	VERB
bjp-84324	143	13	function	function	NOUN
bjp-84324	143	14	2	2	NUM
bjp-84324	143	15	(	(	PUNCT
bjp-84324	143	16	interaction	interaction	NOUN
bjp-84324	143	17	strength	strength	NOUN
bjp-84324	143	18	)	)	PUNCT
bjp-84324	143	19	gave	give	VERB
bjp-84324	143	20	scores	score	NOUN
bjp-84324	143	21	of	of	ADP
bjp-84324	143	22	thiourea	thiourea	NOUN
bjp-84324	143	23	=	=	NOUN
bjp-84324	143	24	0.643	0.643	NUM
bjp-84324	143	25	,	,	PUNCT
bjp-84324	143	26	10a(r	10a(r	NUM
bjp-84324	143	27	)	)	PUNCT
bjp-84324	143	28	=	=	SYM
bjp-84324	143	29	0.441	0.441	NUM
bjp-84324	143	30	,	,	PUNCT
bjp-84324	143	31	10a(s	10a(s	NUM
bjp-84324	143	32	)	)	PUNCT
bjp-84324	143	33	=	=	SYM
bjp-84324	143	34	0.232	0.232	NUM
bjp-84324	143	35	.	.	PUNCT
bjp-84324	144	1	principal	principal	ADJ
bjp-84324	144	2	component	component	NOUN
bjp-84324	144	3	analysis	analysis	NOUN
bjp-84324	144	4	on	on	ADP
bjp-84324	144	5	normalized	normalize	VERB
bjp-84324	144	6	static	static	ADJ
bjp-84324	144	7	factors	factor	NOUN
bjp-84324	144	8	revealed	reveal	VERB
bjp-84324	144	9	that	that	SCONJ
bjp-84324	144	10	interaction	interaction	NOUN
bjp-84324	144	11	fluctuations	fluctuation	NOUN
bjp-84324	144	12	table	table	VERB
bjp-84324	144	13	i	i	PRON
bjp-84324	144	14	urease	urease	VERB
bjp-84324	144	15	inhibition	inhibition	NOUN
bjp-84324	144	16	activity	activity	NOUN
bjp-84324	144	17	compound	compound	NOUN
bjp-84324	144	18	ic₅₀	ic₅₀	PROPN
bjp-84324	144	19	(	(	PUNCT
bjp-84324	144	20	µm	µm	NOUN
bjp-84324	144	21	)	)	PUNCT
bjp-84324	144	22	%	%	NOUN
bjp-84324	144	23	activity	activity	NOUN
bjp-84324	144	24	relative	relative	ADJ
bjp-84324	144	25	to	to	ADP
bjp-84324	144	26	thiourea	thiourea	NOUN
bjp-84324	144	27	%	%	NOUN
bjp-84324	144	28	inhibition	inhibition	NOUN
bjp-84324	144	29	at	at	ADP
bjp-84324	144	30	1	1	NUM
bjp-84324	144	31	mm	mm	PROPN
bjp-84324	144	32	10a	10a	PROPN
bjp-84324	144	33	14.2	14.2	NUM
bjp-84324	144	34	±	±	NUM
bjp-84324	144	35	0.7	0.7	NUM
bjp-84324	144	36	152.1	152.1	NUM
bjp-84324	144	37	98.5	98.5	NUM
bjp-84324	144	38	10b	10b	NOUN
bjp-84324	144	39	22.5	22.5	NUM
bjp-84324	144	40	±	±	NUM
bjp-84324	144	41	0.2	0.2	NUM
bjp-84324	144	42	96.0	96.0	NUM
bjp-84324	144	43	90.3	90.3	NUM
bjp-84324	144	44	10c	10c	NOUN
bjp-84324	144	45	28.5	28.5	NUM
bjp-84324	144	46	±	±	NUM
bjp-84324	144	47	0.3	0.3	NUM
bjp-84324	144	48	75.8	75.8	NUM
bjp-84324	144	49	83.4	83.4	NUM
bjp-84324	144	50	thiourea	thiourea	NOUN
bjp-84324	144	51	21.6	21.6	NUM
bjp-84324	144	52	±	±	NOUN
bjp-84324	144	53	0.1	0.1	NUM
bjp-84324	144	54	100.0	100.0	NUM
bjp-84324	144	55	91.7	91.7	NUM
bjp-84324	144	56	values	value	NOUN
bjp-84324	144	57	are	be	AUX
bjp-84324	144	58	mean	mean	NOUN
bjp-84324	144	59	±	±	NUM
bjp-84324	144	60	sd	sd	NOUN
bjp-84324	144	61	;	;	PUNCT
bjp-84324	144	62	n=3	n=3	PUNCT
bjp-84324	144	63	bangladesh	bangladesh	NOUN
bjp-84324	144	64	j	j	PROPN
bjp-84324	144	65	pharmacol	pharmacol	PROPN
bjp-84324	144	66	2025	2025	NUM
bjp-84324	144	67	;	;	PUNCT
bjp-84324	144	68	20	20	NUM
bjp-84324	144	69	:	:	SYM
bjp-84324	144	70	140	140	NUM
bjp-84324	144	71	-	-	SYM
bjp-84324	144	72	149	149	NUM
bjp-84324	144	73	145	145	NUM
bjp-84324	144	74	were	be	AUX
bjp-84324	144	75	dominated	dominate	VERB
bjp-84324	144	76	by	by	ADP
bjp-84324	144	77	hydrogen	hydrogen	NOUN
bjp-84324	144	78	-	-	PUNCT
bjp-84324	144	79	bond	bond	NOUN
bjp-84324	144	80	and	and	CCONJ
bjp-84324	144	81	hydrophobicinteraction	hydrophobicinteraction	NOUN
bjp-84324	144	82	variability	variability	NOUN
bjp-84324	144	83	,	,	PUNCT
bjp-84324	144	84	whereas	whereas	SCONJ
bjp-84324	144	85	interaction	interaction	NOUN
bjp-84324	144	86	strength	strength	NOUN
bjp-84324	144	87	was	be	AUX
bjp-84324	144	88	mainly	mainly	ADV
bjp-84324	144	89	influenced	influence	VERB
bjp-84324	144	90	by	by	ADP
bjp-84324	144	91	hydrogen	hydrogen	NOUN
bjp-84324	144	92	-	-	PUNCT
bjp-84324	144	93	bond	bond	NOUN
bjp-84324	144	94	and	and	CCONJ
bjp-84324	144	95	electrostatic	electrostatic	ADJ
bjp-84324	144	96	energy	energy	NOUN
bjp-84324	144	97	.	.	PUNCT
bjp-84324	145	1	the	the	DET
bjp-84324	145	2	calculated	calculate	VERB
bjp-84324	145	3	scores	score	NOUN
bjp-84324	145	4	for	for	ADP
bjp-84324	145	5	each	each	DET
bjp-84324	145	6	enantiomer	enantiomer	NOUN
bjp-84324	145	7	are	be	AUX
bjp-84324	145	8	presented	present	VERB
bjp-84324	145	9	in	in	ADP
bjp-84324	145	10	table	table	NOUN
bjp-84324	145	11	ii	ii	PROPN
bjp-84324	145	12	,	,	PUNCT
bjp-84324	145	13	showing	show	VERB
bjp-84324	145	14	their	their	PRON
bjp-84324	145	15	relative	relative	ADJ
bjp-84324	145	16	effectiveness	effectiveness	NOUN
bjp-84324	145	17	as	as	ADP
bjp-84324	145	18	amidohydrolase	amidohydrolase	ADJ
bjp-84324	145	19	interactive	interactive	ADJ
bjp-84324	145	20	agents	agent	NOUN
bjp-84324	145	21	.	.	PUNCT
bjp-84324	146	1	discussion	discussion	NOUN
bjp-84324	146	2	all	all	PRON
bjp-84324	146	3	synthesized	synthesize	VERB
bjp-84324	146	4	compounds	compound	NOUN
bjp-84324	146	5	(	(	PUNCT
bjp-84324	146	6	10a	10a	NOUN
bjp-84324	146	7	–	–	PUNCT
bjp-84324	146	8	c	c	NOUN
bjp-84324	146	9	)	)	PUNCT
bjp-84324	146	10	showed	show	VERB
bjp-84324	146	11	stronger	strong	ADJ
bjp-84324	146	12	urease	urease	NOUN
bjp-84324	146	13	inhibition	inhibition	NOUN
bjp-84324	146	14	than	than	ADP
bjp-84324	146	15	thiourea	thiourea	NOUN
bjp-84324	146	16	,	,	PUNCT
bjp-84324	146	17	with	with	ADP
bjp-84324	146	18	compound	compound	NOUN
bjp-84324	146	19	(	(	PUNCT
bjp-84324	146	20	10a	10a	NOUN
bjp-84324	146	21	)	)	PUNCT
bjp-84324	146	22	as	as	ADP
bjp-84324	146	23	the	the	DET
bjp-84324	146	24	most	most	ADV
bjp-84324	146	25	active	active	ADJ
bjp-84324	146	26	,	,	PUNCT
bjp-84324	146	27	outperforming	outperform	VERB
bjp-84324	146	28	the	the	DET
bjp-84324	146	29	thiourea	thiourea	NOUN
bjp-84324	146	30	,	,	PUNCT
bjp-84324	146	31	while	while	SCONJ
bjp-84324	146	32	compound	compound	NOUN
bjp-84324	146	33	(	(	PUNCT
bjp-84324	146	34	10c	10c	NOUN
bjp-84324	146	35	)	)	PUNCT
bjp-84324	146	36	was	be	AUX
bjp-84324	146	37	least	least	ADV
bjp-84324	146	38	active	active	ADJ
bjp-84324	146	39	.	.	PUNCT
bjp-84324	147	1	the	the	DET
bjp-84324	147	2	inhibition	inhibition	NOUN
bjp-84324	147	3	trend	trend	NOUN
bjp-84324	147	4	(	(	PUNCT
bjp-84324	147	5	10a	10a	NOUN
bjp-84324	147	6	>	>	X
bjp-84324	147	7	10b	10b	NOUN
bjp-84324	147	8	>	>	X
bjp-84324	147	9	10c	10c	NOUN
bjp-84324	147	10	)	)	PUNCT
bjp-84324	147	11	indicates	indicate	VERB
bjp-84324	147	12	that	that	SCONJ
bjp-84324	147	13	inhibition	inhibition	NOUN
bjp-84324	147	14	increased	increase	VERB
bjp-84324	147	15	as	as	SCONJ
bjp-84324	147	16	the	the	DET
bjp-84324	147	17	ring	ring	NOUN
bjp-84324	147	18	size	size	NOUN
bjp-84324	147	19	of	of	ADP
bjp-84324	147	20	esterified	esterify	VERB
bjp-84324	147	21	acid	acid	NOUN
bjp-84324	147	22	decreased	decrease	VERB
bjp-84324	147	23	and	and	CCONJ
bjp-84324	147	24	thus	thus	ADV
bjp-84324	147	25	,	,	PUNCT
bjp-84324	147	26	steric	steric	ADJ
bjp-84324	147	27	bulk	bulk	NOUN
bjp-84324	147	28	of	of	ADP
bjp-84324	147	29	ring	ring	NOUN
bjp-84324	147	30	of	of	ADP
bjp-84324	147	31	the	the	DET
bjp-84324	147	32	acyl	acyl	NOUN
bjp-84324	147	33	substituent	substituent	NOUN
bjp-84324	147	34	govern	govern	VERB
bjp-84324	147	35	ligand	ligand	ADJ
bjp-84324	147	36	–	–	PUNCT
bjp-84324	147	37	active	active	ADJ
bjp-84324	147	38	site	site	NOUN
bjp-84324	147	39	interactions	interaction	NOUN
bjp-84324	147	40	.	.	PUNCT
bjp-84324	148	1	these	these	DET
bjp-84324	148	2	experimental	experimental	ADJ
bjp-84324	148	3	findings	finding	NOUN
bjp-84324	148	4	of	of	ADP
bjp-84324	148	5	triglyceride	triglyceride	ADJ
bjp-84324	148	6	derivatives	derivative	NOUN
bjp-84324	148	7	as	as	ADP
bjp-84324	148	8	effective	effective	ADJ
bjp-84324	148	9	urease	urease	NOUN
bjp-84324	148	10	inhibitors	inhibitor	NOUN
bjp-84324	148	11	were	be	AUX
bjp-84324	148	12	further	far	ADV
bjp-84324	148	13	validated	validate	VERB
bjp-84324	148	14	by	by	ADP
bjp-84324	148	15	molecular	molecular	ADJ
bjp-84324	148	16	-	-	PUNCT
bjp-84324	148	17	dynamics	dynamic	NOUN
bjp-84324	148	18	based	base	VERB
bjp-84324	148	19	extensive	extensive	ADJ
bjp-84324	148	20	scoring	scoring	NOUN
bjp-84324	148	21	analyses	analysis	NOUN
bjp-84324	148	22	,	,	PUNCT
bjp-84324	148	23	described	describe	VERB
bjp-84324	148	24	below	below	ADV
bjp-84324	148	25	.	.	PUNCT
bjp-84324	149	1	urease	urease	NOUN
bjp-84324	149	2	was	be	AUX
bjp-84324	149	3	selected	select	VERB
bjp-84324	149	4	as	as	ADP
bjp-84324	149	5	a	a	DET
bjp-84324	149	6	representative	representative	ADJ
bjp-84324	149	7	amidohydrolase	amidohydrolase	NOUN
bjp-84324	149	8	owing	owe	VERB
bjp-84324	149	9	to	to	ADP
bjp-84324	149	10	its	its	PRON
bjp-84324	149	11	conserved	conserved	ADJ
bjp-84324	149	12	catalytic	catalytic	ADJ
bjp-84324	149	13	pocket	pocket	NOUN
bjp-84324	149	14	,	,	PUNCT
bjp-84324	149	15	enabling	enable	VERB
bjp-84324	149	16	broader	broad	ADJ
bjp-84324	149	17	pharmacophore	pharmacophore	ADJ
bjp-84324	149	18	extrapolation	extrapolation	NOUN
bjp-84324	149	19	for	for	ADP
bjp-84324	149	20	future	future	ADJ
bjp-84324	149	21	studies	study	NOUN
bjp-84324	149	22	.	.	PUNCT
bjp-84324	150	1	higher	high	ADJ
bjp-84324	150	2	urease	urease	NOUN
bjp-84324	150	3	inhibition	inhibition	NOUN
bjp-84324	150	4	of	of	ADP
bjp-84324	150	5	synthesized	synthesize	VERB
bjp-84324	150	6	compounds	compound	NOUN
bjp-84324	150	7	(	(	PUNCT
bjp-84324	150	8	10a	10a	NOUN
bjp-84324	150	9	-	-	SYM
bjp-84324	150	10	c	c	NOUN
bjp-84324	150	11	)	)	PUNCT
bjp-84324	150	12	compared	compare	VERB
bjp-84324	150	13	to	to	ADP
bjp-84324	150	14	thiourea	thiourea	NOUN
bjp-84324	150	15	emphasize	emphasize	VERB
bjp-84324	150	16	the	the	DET
bjp-84324	150	17	superior	superior	ADJ
bjp-84324	150	18	activity	activity	NOUN
bjp-84324	150	19	of	of	ADP
bjp-84324	150	20	cost	cost	NOUN
bjp-84324	150	21	and	and	CCONJ
bjp-84324	150	22	environment	environment	VERB
bjp-84324	150	23	friendly	friendly	ADJ
bjp-84324	150	24	pharmacophore	pharmacophore	NOUN
bjp-84324	150	25	of	of	ADP
bjp-84324	150	26	natural	natural	ADJ
bjp-84324	150	27	origin	origin	NOUN
bjp-84324	150	28	.	.	PUNCT
bjp-84324	151	1	these	these	DET
bjp-84324	151	2	results	result	NOUN
bjp-84324	151	3	were	be	AUX
bjp-84324	151	4	analyzed	analyze	VERB
bjp-84324	151	5	in	in	ADP
bjp-84324	151	6	context	context	NOUN
bjp-84324	151	7	of	of	ADP
bjp-84324	151	8	previously	previously	ADV
bjp-84324	151	9	reported	report	VERB
bjp-84324	151	10	or	or	CCONJ
bjp-84324	151	11	known	know	VERB
bjp-84324	151	12	urease	urease	NOUN
bjp-84324	151	13	inhibitors	inhibitor	NOUN
bjp-84324	151	14	,	,	PUNCT
bjp-84324	151	15	including	include	VERB
bjp-84324	151	16	hydroxamate	hydroxamate	ADJ
bjp-84324	151	17	derivatives	derivative	NOUN
bjp-84324	151	18	,	,	PUNCT
bjp-84324	151	19	phosphoramidates	phosphoramidate	NOUN
bjp-84324	151	20	,	,	PUNCT
bjp-84324	151	21	urea	urea	NOUN
bjp-84324	151	22	derivatives	derivative	NOUN
bjp-84324	151	23	,	,	PUNCT
bjp-84324	151	24	polyphenols	polyphenol	NOUN
bjp-84324	151	25	,	,	PUNCT
bjp-84324	151	26	thiols	thiol	NOUN
bjp-84324	151	27	,	,	PUNCT
bjp-84324	151	28	heavy	heavy	ADJ
bjp-84324	151	29	metals	metal	NOUN
bjp-84324	151	30	,	,	PUNCT
bjp-84324	151	31	boric	boric	ADJ
bjp-84324	151	32	acid	acid	NOUN
bjp-84324	151	33	,	,	PUNCT
bjp-84324	151	34	and	and	CCONJ
bjp-84324	151	35	phosphates	phosphate	NOUN
bjp-84324	151	36	(	(	PUNCT
bjp-84324	151	37	font	font	NOUN
bjp-84324	151	38	et	et	PROPN
bjp-84324	151	39	al	al	PROPN
bjp-84324	151	40	.	.	PROPN
bjp-84324	151	41	,	,	PUNCT
bjp-84324	151	42	2008	2008	NUM
bjp-84324	151	43	;	;	PUNCT
bjp-84324	151	44	zizian	zizian	NOUN
bjp-84324	151	45	et	et	PROPN
bjp-84324	151	46	al	al	PROPN
bjp-84324	151	47	.	.	PROPN
bjp-84324	151	48	,	,	PUNCT
bjp-84324	151	49	2012	2012	NUM
bjp-84324	151	50	;	;	PUNCT
bjp-84324	151	51	benini	benini	NOUN
bjp-84324	151	52	et	et	PROPN
bjp-84324	151	53	al	al	PROPN
bjp-84324	151	54	.	.	PROPN
bjp-84324	151	55	,	,	PUNCT
bjp-84324	151	56	1998	1998	NUM
bjp-84324	151	57	;	;	PUNCT
bjp-84324	151	58	krajewska	krajewska	PROPN
bjp-84324	151	59	et	et	PROPN
bjp-84324	151	60	al	al	PROPN
bjp-84324	151	61	.	.	PROPN
bjp-84324	151	62	,	,	PUNCT
bjp-84324	151	63	2004	2004	NUM
bjp-84324	151	64	)	)	PUNCT
bjp-84324	151	65	.	.	PUNCT
bjp-84324	152	1	despite	despite	SCONJ
bjp-84324	152	2	their	their	PRON
bjp-84324	152	3	efficacy	efficacy	NOUN
bjp-84324	152	4	,	,	PUNCT
bjp-84324	152	5	many	many	ADJ
bjp-84324	152	6	existing	exist	VERB
bjp-84324	152	7	inhibitors	inhibitor	NOUN
bjp-84324	152	8	face	face	VERB
bjp-84324	152	9	limitations	limitation	NOUN
bjp-84324	152	10	such	such	ADJ
bjp-84324	152	11	as	as	ADP
bjp-84324	152	12	environmental	environmental	ADJ
bjp-84324	152	13	hazards	hazard	NOUN
bjp-84324	152	14	and	and	CCONJ
bjp-84324	152	15	high	high	ADJ
bjp-84324	152	16	costs	cost	NOUN
bjp-84324	152	17	,	,	PUNCT
bjp-84324	152	18	highlighting	highlight	VERB
bjp-84324	152	19	the	the	DET
bjp-84324	152	20	need	need	NOUN
bjp-84324	152	21	for	for	ADP
bjp-84324	152	22	safer	safe	ADJ
bjp-84324	152	23	,	,	PUNCT
bjp-84324	152	24	low	low	ADJ
bjp-84324	152	25	-	-	PUNCT
bjp-84324	152	26	cost	cost	NOUN
bjp-84324	152	27	alternatives	alternative	NOUN
bjp-84324	152	28	such	such	ADJ
bjp-84324	152	29	as	as	ADP
bjp-84324	152	30	the	the	DET
bjp-84324	152	31	triglyceride	triglyceride	ADV
bjp-84324	152	32	-	-	PUNCT
bjp-84324	152	33	based	base	VERB
bjp-84324	152	34	scaffolds	scaffold	NOUN
bjp-84324	152	35	described	describe	VERB
bjp-84324	152	36	here	here	ADV
bjp-84324	152	37	.	.	PUNCT
bjp-84324	153	1	moreover	moreover	ADV
bjp-84324	153	2	,	,	PUNCT
bjp-84324	153	3	previous	previous	ADJ
bjp-84324	153	4	literature	literature	NOUN
bjp-84324	153	5	(	(	PUNCT
bjp-84324	153	6	kafarski	kafarski	ADJ
bjp-84324	153	7	and	and	CCONJ
bjp-84324	153	8	talma	talma	ADJ
bjp-84324	153	9	,	,	PUNCT
bjp-84324	153	10	2018	2018	NUM
bjp-84324	153	11	)	)	PUNCT
bjp-84324	153	12	on	on	ADP
bjp-84324	153	13	urease	urease	NOUN
bjp-84324	153	14	inhibition	inhibition	NOUN
bjp-84324	153	15	lacks	lack	VERB
bjp-84324	153	16	the	the	DET
bjp-84324	153	17	detailed	detailed	ADJ
bjp-84324	153	18	molecular	molecular	ADJ
bjp-84324	153	19	dynamic	dynamic	ADJ
bjp-84324	153	20	based	base	VERB
bjp-84324	153	21	scoring	scoring	NOUN
bjp-84324	153	22	analysis	analysis	NOUN
bjp-84324	153	23	that	that	PRON
bjp-84324	153	24	are	be	AUX
bjp-84324	153	25	performed	perform	VERB
bjp-84324	153	26	in	in	ADP
bjp-84324	153	27	this	this	DET
bjp-84324	153	28	study	study	NOUN
bjp-84324	153	29	to	to	PART
bjp-84324	153	30	understand	understand	VERB
bjp-84324	153	31	the	the	DET
bjp-84324	153	32	mechanism	mechanism	NOUN
bjp-84324	153	33	and	and	CCONJ
bjp-84324	153	34	structural	structural	ADJ
bjp-84324	153	35	parameters	parameter	NOUN
bjp-84324	153	36	controlling	control	VERB
bjp-84324	153	37	behind	behind	ADP
bjp-84324	153	38	activity	activity	NOUN
bjp-84324	153	39	.	.	PUNCT
bjp-84324	154	1	this	this	PRON
bjp-84324	154	2	paves	pave	VERB
bjp-84324	154	3	way	way	NOUN
bjp-84324	154	4	for	for	ADP
bjp-84324	154	5	further	further	ADJ
bjp-84324	154	6	lead	lead	NOUN
bjp-84324	154	7	optimization	optimization	NOUN
bjp-84324	154	8	of	of	ADP
bjp-84324	154	9	the	the	DET
bjp-84324	154	10	lead	lead	NOUN
bjp-84324	154	11	compound	compound	NOUN
bjp-84324	154	12	.	.	PUNCT
bjp-84324	155	1	conventional	conventional	ADJ
bjp-84324	155	2	synthesis	synthesis	NOUN
bjp-84324	155	3	of	of	ADP
bjp-84324	155	4	triglycerides	triglyceride	NOUN
bjp-84324	155	5	has	have	AUX
bjp-84324	155	6	relied	rely	VERB
bjp-84324	155	7	on	on	ADP
bjp-84324	155	8	hazardous	hazardous	ADJ
bjp-84324	155	9	reagents	reagent	NOUN
bjp-84324	155	10	such	such	ADJ
bjp-84324	155	11	as	as	ADP
bjp-84324	155	12	thionyl	thionyl	ADJ
bjp-84324	155	13	chloride	chloride	NOUN
bjp-84324	155	14	,	,	PUNCT
bjp-84324	155	15	oxalyl	oxalyl	ADJ
bjp-84324	155	16	chloride	chloride	NOUN
bjp-84324	155	17	,	,	PUNCT
bjp-84324	155	18	and	and	CCONJ
bjp-84324	155	19	phosphorus	phosphorus	NOUN
bjp-84324	155	20	pentachloride	pentachloride	ADV
bjp-84324	155	21	or	or	CCONJ
bjp-84324	155	22	costly	costly	ADJ
bjp-84324	155	23	catalytic	catalytic	ADJ
bjp-84324	155	24	systems	system	NOUN
bjp-84324	155	25	such	such	ADJ
bjp-84324	155	26	as	as	ADP
bjp-84324	155	27	free	free	ADJ
bjp-84324	155	28	calb	calb	NOUN
bjp-84324	155	29	(	(	PUNCT
bjp-84324	155	30	ravelo	ravelo	NOUN
bjp-84324	155	31	et	et	PROPN
bjp-84324	155	32	al	al	PROPN
bjp-84324	155	33	.	.	PROPN
bjp-84324	155	34	,	,	PUNCT
bjp-84324	155	35	2015	2015	NUM
bjp-84324	155	36	)	)	PUNCT
bjp-84324	155	37	and	and	CCONJ
bjp-84324	155	38	zn	zn	PROPN
bjp-84324	155	39	carboxylates	carboxylate	NOUN
bjp-84324	155	40	(	(	PUNCT
bjp-84324	155	41	escorsim	escorsim	PROPN
bjp-84324	155	42	et	et	PROPN
bjp-84324	155	43	al	al	PROPN
bjp-84324	155	44	.	.	PROPN
bjp-84324	155	45	,	,	PUNCT
bjp-84324	155	46	2019	2019	NUM
bjp-84324	155	47	)	)	PUNCT
bjp-84324	155	48	.	.	PUNCT
bjp-84324	156	1	in	in	ADP
bjp-84324	156	2	contrast	contrast	NOUN
bjp-84324	156	3	,	,	PUNCT
bjp-84324	156	4	the	the	DET
bjp-84324	156	5	1,1′-carbonyldiimidazole	1,1′-carbonyldiimidazole	PROPN
bjp-84324	156	6	-	-	PUNCT
bjp-84324	156	7	mediated	mediate	VERB
bjp-84324	156	8	approach	approach	NOUN
bjp-84324	156	9	used	use	VERB
bjp-84324	156	10	here	here	ADV
bjp-84324	156	11	offers	offer	VERB
bjp-84324	156	12	a	a	DET
bjp-84324	156	13	safer	safe	ADJ
bjp-84324	156	14	,	,	PUNCT
bjp-84324	156	15	cost	cost	NOUN
bjp-84324	156	16	-	-	PUNCT
bjp-84324	156	17	effective	effective	ADJ
bjp-84324	156	18	,	,	PUNCT
bjp-84324	156	19	and	and	CCONJ
bjp-84324	156	20	scalable	scalable	ADJ
bjp-84324	156	21	synthetic	synthetic	ADJ
bjp-84324	156	22	route	route	NOUN
bjp-84324	156	23	for	for	ADP
bjp-84324	156	24	generating	generate	VERB
bjp-84324	156	25	structurally	structurally	ADV
bjp-84324	156	26	diverse	diverse	ADJ
bjp-84324	156	27	triglyceride	triglyceride	ADP
bjp-84324	156	28	derivatives	derivative	NOUN
bjp-84324	156	29	.	.	PUNCT
bjp-84324	157	1	1,1′-carbonyldiimidazole	1,1′-carbonyldiimidazole	PROPN
bjp-84324	157	2	facilitated	facilitate	VERB
bjp-84324	157	3	the	the	DET
bjp-84324	157	4	reaction	reaction	NOUN
bjp-84324	157	5	by	by	ADP
bjp-84324	157	6	introducing	introduce	VERB
bjp-84324	157	7	an	an	DET
bjp-84324	157	8	imidazole	imidazole	NOUN
bjp-84324	157	9	group	group	NOUN
bjp-84324	157	10	as	as	ADP
bjp-84324	157	11	a	a	DET
bjp-84324	157	12	leaving	leaving	NOUN
bjp-84324	157	13	group	group	NOUN
bjp-84324	157	14	,	,	PUNCT
bjp-84324	157	15	facilitating	facilitate	VERB
bjp-84324	157	16	the	the	DET
bjp-84324	157	17	acyl	acyl	NOUN
bjp-84324	157	18	addition	addition	NOUN
bjp-84324	157	19	-	-	PUNCT
bjp-84324	157	20	elimination	elimination	NOUN
bjp-84324	157	21	mechanism	mechanism	NOUN
bjp-84324	157	22	.	.	PUNCT
bjp-84324	158	1	glycerol	glycerol	NOUN
bjp-84324	158	2	,	,	PUNCT
bjp-84324	158	3	as	as	ADP
bjp-84324	158	4	starting	start	VERB
bjp-84324	158	5	material	material	NOUN
bjp-84324	158	6	,	,	PUNCT
bjp-84324	158	7	provides	provide	VERB
bjp-84324	158	8	the	the	DET
bjp-84324	158	9	opportunity	opportunity	NOUN
bjp-84324	158	10	to	to	PART
bjp-84324	158	11	synthesize	synthesize	VERB
bjp-84324	158	12	a	a	DET
bjp-84324	158	13	versatile	versatile	ADJ
bjp-84324	158	14	pharmacophore	pharmacophore	NOUN
bjp-84324	158	15	through	through	ADP
bjp-84324	158	16	facile	facile	ADJ
bjp-84324	158	17	reactions	reaction	NOUN
bjp-84324	158	18	.	.	PUNCT
bjp-84324	159	1	glycerol	glycerol	NOUN
bjp-84324	159	2	's	's	PART
bjp-84324	159	3	three	three	NUM
bjp-84324	159	4	hydroxyl	hydroxyl	NOUN
bjp-84324	159	5	(	(	PUNCT
bjp-84324	159	6	–	–	PUNCT
bjp-84324	159	7	oh	oh	INTJ
bjp-84324	159	8	)	)	PUNCT
bjp-84324	159	9	groups	group	NOUN
bjp-84324	159	10	served	serve	VERB
bjp-84324	159	11	as	as	ADP
bjp-84324	159	12	lewis	lewis	PROPN
bjp-84324	159	13	basic	basic	ADJ
bjp-84324	159	14	sites	site	NOUN
bjp-84324	159	15	for	for	ADP
bjp-84324	159	16	esterification	esterification	NOUN
bjp-84324	159	17	,	,	PUNCT
bjp-84324	159	18	resulting	result	VERB
bjp-84324	159	19	in	in	ADP
bjp-84324	159	20	the	the	DET
bjp-84324	159	21	formation	formation	NOUN
bjp-84324	159	22	of	of	ADP
bjp-84324	159	23	triesters	triester	NOUN
bjp-84324	159	24	(	(	PUNCT
bjp-84324	159	25	10a	10a	NOUN
bjp-84324	159	26	-	-	SYM
bjp-84324	159	27	c	c	NOUN
bjp-84324	159	28	)	)	PUNCT
bjp-84324	159	29	.	.	PUNCT
bjp-84324	160	1	these	these	DET
bjp-84324	160	2	compounds	compound	NOUN
bjp-84324	160	3	exhibited	exhibit	VERB
bjp-84324	160	4	a	a	DET
bjp-84324	160	5	chiral	chiral	ADJ
bjp-84324	160	6	(	(	PUNCT
bjp-84324	160	7	c	c	NOUN
bjp-84324	160	8	*	*	ADJ
bjp-84324	160	9	)	)	PUNCT
bjp-84324	160	10	center	center	NOUN
bjp-84324	160	11	;	;	PUNCT
bjp-84324	160	12	hence	hence	ADV
bjp-84324	160	13	enantiomers	enantiomer	NOUN
bjp-84324	160	14	exist	exist	VERB
bjp-84324	160	15	.	.	PUNCT
bjp-84324	161	1	this	this	DET
bjp-84324	161	2	synthesis	synthesis	NOUN
bjp-84324	161	3	scheme	scheme	NOUN
bjp-84324	161	4	offers	offer	VERB
bjp-84324	161	5	the	the	DET
bjp-84324	161	6	potential	potential	NOUN
bjp-84324	161	7	for	for	ADP
bjp-84324	161	8	synthesizing	synthesize	VERB
bjp-84324	161	9	further	further	ADJ
bjp-84324	161	10	derivatives	derivative	NOUN
bjp-84324	161	11	using	use	VERB
bjp-84324	161	12	higher	high	ADJ
bjp-84324	161	13	polyols	polyol	NOUN
bjp-84324	161	14	with	with	ADP
bjp-84324	161	15	additional	additional	ADJ
bjp-84324	161	16	-oh	-oh	ADJ
bjp-84324	161	17	groups	group	NOUN
bjp-84324	161	18	,	,	PUNCT
bjp-84324	161	19	which	which	PRON
bjp-84324	161	20	could	could	AUX
bjp-84324	161	21	yield	yield	VERB
bjp-84324	161	22	structurally	structurally	ADV
bjp-84324	161	23	diverse	diverse	ADJ
bjp-84324	161	24	and	and	CCONJ
bjp-84324	161	25	functionalized	functionalized	ADJ
bjp-84324	161	26	derivatives	derivative	NOUN
bjp-84324	161	27	.	.	PUNCT
bjp-84324	162	1	compounds	compound	NOUN
bjp-84324	162	2	(	(	PUNCT
bjp-84324	162	3	10a	10a	NOUN
bjp-84324	162	4	-	-	SYM
bjp-84324	162	5	c	c	NOUN
bjp-84324	162	6	)	)	PUNCT
bjp-84324	162	7	were	be	AUX
bjp-84324	162	8	synthesized	synthesize	VERB
bjp-84324	162	9	using	use	VERB
bjp-84324	162	10	cyclohexanecarboxylic	cyclohexanecarboxylic	ADJ
bjp-84324	162	11	acid	acid	PROPN
bjp-84324	162	12	(	(	PUNCT
bjp-84324	162	13	9a	9a	NUM
bjp-84324	162	14	)	)	PUNCT
bjp-84324	162	15	,	,	PUNCT
bjp-84324	162	16	cyclopentanecarboxylic	cyclopentanecarboxylic	ADJ
bjp-84324	162	17	acid	acid	NOUN
bjp-84324	162	18	(	(	PUNCT
bjp-84324	162	19	9b	9b	NUM
bjp-84324	162	20	)	)	PUNCT
bjp-84324	162	21	,	,	PUNCT
bjp-84324	162	22	and	and	CCONJ
bjp-84324	162	23	cyclobutanecarboxylic	cyclobutanecarboxylic	ADJ
bjp-84324	162	24	acid	acid	NOUN
bjp-84324	162	25	(	(	PUNCT
bjp-84324	162	26	9c	9c	NUM
bjp-84324	162	27	)	)	PUNCT
bjp-84324	162	28	,	,	PUNCT
bjp-84324	162	29	respectively	respectively	ADV
bjp-84324	162	30	,	,	PUNCT
bjp-84324	162	31	as	as	ADP
bjp-84324	162	32	the	the	DET
bjp-84324	162	33	acylating	acylating	NOUN
bjp-84324	162	34	agents	agent	NOUN
bjp-84324	162	35	with	with	ADP
bjp-84324	162	36	variation	variation	NOUN
bjp-84324	162	37	in	in	ADP
bjp-84324	162	38	ring	ring	NOUN
bjp-84324	162	39	size	size	NOUN
bjp-84324	162	40	.	.	PUNCT
bjp-84324	163	1	this	this	PRON
bjp-84324	163	2	allowed	allow	VERB
bjp-84324	163	3	establishment	establishment	NOUN
bjp-84324	163	4	of	of	ADP
bjp-84324	163	5	structure	structure	NOUN
bjp-84324	163	6	–	–	PUNCT
bjp-84324	163	7	activity	activity	NOUN
bjp-84324	163	8	relationship	relationship	NOUN
bjp-84324	163	9	(	(	PUNCT
bjp-84324	163	10	qsar	qsar	NOUN
bjp-84324	163	11	)	)	PUNCT
bjp-84324	163	12	between	between	ADP
bjp-84324	163	13	ring	ring	NOUN
bjp-84324	163	14	size	size	NOUN
bjp-84324	163	15	of	of	ADP
bjp-84324	163	16	substituted	substitute	VERB
bjp-84324	163	17	acid	acid	NOUN
bjp-84324	163	18	and	and	CCONJ
bjp-84324	163	19	bioactivity	bioactivity	NOUN
bjp-84324	163	20	.	.	PUNCT
bjp-84324	164	1	synthesized	synthesize	VERB
bjp-84324	164	2	compounds	compound	NOUN
bjp-84324	164	3	(	(	PUNCT
bjp-84324	164	4	10a	10a	NOUN
bjp-84324	164	5	-	-	SYM
bjp-84324	164	6	c	c	NOUN
bjp-84324	164	7	)	)	PUNCT
bjp-84324	164	8	preferentially	preferentially	ADV
bjp-84324	164	9	interacted	interact	VERB
bjp-84324	164	10	with	with	ADP
bjp-84324	164	11	the	the	DET
bjp-84324	164	12	active	active	ADJ
bjp-84324	164	13	site	site	NOUN
bjp-84324	164	14	flap	flap	NOUN
bjp-84324	164	15	residues	residue	NOUN
bjp-84324	164	16	,	,	PUNCT
bjp-84324	164	17	particularly	particularly	ADV
bjp-84324	164	18	cys592	cys592	PROPN
bjp-84324	164	19	(	(	PUNCT
bjp-84324	164	20	cme592	cme592	PROPN
bjp-84324	164	21	)	)	PUNCT
bjp-84324	164	22	,	,	PUNCT
bjp-84324	164	23	which	which	PRON
bjp-84324	164	24	regulates	regulate	VERB
bjp-84324	164	25	active	active	ADJ
bjp-84324	164	26	site	site	NOUN
bjp-84324	164	27	conformation	conformation	NOUN
bjp-84324	164	28	.	.	PUNCT
bjp-84324	165	1	interactions	interaction	NOUN
bjp-84324	165	2	with	with	ADP
bjp-84324	165	3	arg439	arg439	PROPN
bjp-84324	165	4	,	,	PUNCT
bjp-84324	165	5	ala440	ala440	PROPN
bjp-84324	165	6	,	,	PUNCT
bjp-84324	165	7	gln635	gln635	PROPN
bjp-84324	165	8	,	,	PUNCT
bjp-84324	165	9	met637	met637	PROPN
bjp-84324	165	10	,	,	PUNCT
bjp-84324	165	11	and	and	CCONJ
bjp-84324	165	12	gly638	gly638	NOUN
bjp-84324	165	13	were	be	AUX
bjp-84324	165	14	also	also	ADV
bjp-84324	165	15	noted	note	VERB
bjp-84324	165	16	.	.	PUNCT
bjp-84324	166	1	compound	compound	NOUN
bjp-84324	166	2	(	(	PUNCT
bjp-84324	166	3	10a	10a	NUM
bjp-84324	166	4	)	)	PUNCT
bjp-84324	166	5	formed	form	VERB
bjp-84324	166	6	strong	strong	ADJ
bjp-84324	166	7	hydrogen	hydrogen	NOUN
bjp-84324	166	8	-	-	PUNCT
bjp-84324	166	9	bonds	bond	NOUN
bjp-84324	166	10	with	with	ADP
bjp-84324	166	11	cme592	cme592	NOUN
bjp-84324	166	12	and	and	CCONJ
bjp-84324	166	13	arg439	arg439	PROPN
bjp-84324	166	14	,	,	PUNCT
bjp-84324	166	15	alongside	alongside	ADP
bjp-84324	166	16	π	π	PROPN
bjp-84324	166	17	-	-	ADJ
bjp-84324	166	18	alkyl	alkyl	ADJ
bjp-84324	166	19	interactions	interaction	NOUN
bjp-84324	166	20	with	with	ADP
bjp-84324	166	21	ala440	ala440	PROPN
bjp-84324	166	22	and	and	CCONJ
bjp-84324	166	23	his492	his492	PROPN
bjp-84324	166	24	.	.	PUNCT
bjp-84324	167	1	these	these	DET
bjp-84324	167	2	results	result	NOUN
bjp-84324	167	3	are	be	AUX
bjp-84324	167	4	consistent	consistent	ADJ
bjp-84324	167	5	with	with	ADP
bjp-84324	167	6	the	the	DET
bjp-84324	167	7	previous	previous	ADJ
bjp-84324	167	8	literature	literature	NOUN
bjp-84324	167	9	on	on	ADP
bjp-84324	167	10	urease	urease	NOUN
bjp-84324	167	11	inactivation	inactivation	NOUN
bjp-84324	167	12	by	by	ADP
bjp-84324	167	13	natural	natural	ADJ
bjp-84324	167	14	products	product	NOUN
bjp-84324	167	15	table	table	NOUN
bjp-84324	167	16	ii	ii	PROPN
bjp-84324	167	17	ligand	ligand	NOUN
bjp-84324	167	18	ranking	rank	VERB
bjp-84324	167	19	score	score	NOUN
bjp-84324	167	20	fluctuation	fluctuation	NOUN
bjp-84324	167	21	of	of	ADP
bjp-84324	167	22	interaction	interaction	NOUN
bjp-84324	167	23	strength	strength	NOUN
bjp-84324	167	24	of	of	ADP
bjp-84324	167	25	interaction	interaction	NOUN
bjp-84324	167	26	10a(r	10a(r	NUM
bjp-84324	167	27	)	)	PUNCT
bjp-84324	168	1	0.8900	0.8900	NUM
bjp-84324	168	2	0.4415	0.4415	NUM
bjp-84324	168	3	10a(s	10a(s	NUM
bjp-84324	168	4	)	)	PUNCT
bjp-84324	168	5	0.8794	0.8794	NUM
bjp-84324	168	6	0.2328	0.2328	NUM
bjp-84324	168	7	thiourea	thiourea	NOUN
bjp-84324	168	8	0.0990	0.0990	NUM
bjp-84324	168	9	0.6438	0.6438	NUM
bjp-84324	168	10	10a	10a	NOUN
bjp-84324	168	11	(	(	PUNCT
bjp-84324	168	12	r	r	NOUN
bjp-84324	168	13	)	)	PUNCT
bjp-84324	168	14	10a	10a	NOUN
bjp-84324	168	15	(	(	PUNCT
bjp-84324	168	16	s	s	NOUN
bjp-84324	168	17	)	)	PUNCT
bjp-84324	168	18	thiourea	thiourea	NOUN
bjp-84324	168	19	compound	compound	PROPN
bjp-84324	168	20	b	b	PROPN
bjp-84324	168	21	in	in	ADP
bjp-84324	168	22	d	d	PROPN
bjp-84324	168	23	in	in	ADP
bjp-84324	168	24	g	g	PROPN
bjp-84324	168	25	e	e	PROPN
bjp-84324	168	26	n	n	NOUN
bjp-84324	168	27	e	e	X
bjp-84324	168	28	rg	rg	PROPN
bjp-84324	168	29	y	y	PROPN
bjp-84324	168	30	(	(	PUNCT
bjp-84324	168	31	-k	-k	INTJ
bjp-84324	168	32	c	c	X
bjp-84324	168	33	a	a	DET
bjp-84324	168	34	l/	l/	NOUN
bjp-84324	168	35	m	m	NOUN
bjp-84324	168	36	o	o	NOUN
bjp-84324	168	37	l	l	NOUN
bjp-84324	168	38	)	)	PUNCT
bjp-84324	168	39	figure	figure	NOUN
bjp-84324	168	40	3	3	NUM
bjp-84324	168	41	:	:	PUNCT
bjp-84324	168	42	plot	plot	NOUN
bjp-84324	168	43	of	of	ADP
bjp-84324	168	44	docking	dock	VERB
bjp-84324	168	45	binding	bind	VERB
bjp-84324	168	46	energy	energy	NOUN
bjp-84324	168	47	of	of	ADP
bjp-84324	168	48	10a(r	10a(r	NUM
bjp-84324	168	49	)	)	PUNCT
bjp-84324	168	50	,	,	PUNCT
bjp-84324	168	51	10a(s	10a(s	NUM
bjp-84324	168	52	)	)	PUNCT
bjp-84324	168	53	enantiomers	enantiomer	NOUN
bjp-84324	168	54	and	and	CCONJ
bjp-84324	168	55	thiourea	thiourea	NOUN
bjp-84324	168	56	146	146	NUM
bjp-84324	168	57	bangladesh	bangladesh	PROPN
bjp-84324	168	58	j	j	PROPN
bjp-84324	168	59	pharmacol	pharmacol	PROPN
bjp-84324	168	60	2025	2025	NUM
bjp-84324	168	61	;	;	PUNCT
bjp-84324	169	1	20	20	NUM
bjp-84324	169	2	:	:	SYM
bjp-84324	169	3	140	140	NUM
bjp-84324	169	4	-	-	SYM
bjp-84324	169	5	149	149	NUM
bjp-84324	169	6	like	like	ADP
bjp-84324	169	7	quercetin	quercetin	NOUN
bjp-84324	169	8	,	,	PUNCT
bjp-84324	169	9	baicalin	baicalin	NOUN
bjp-84324	169	10	,	,	PUNCT
bjp-84324	169	11	and	and	CCONJ
bjp-84324	169	12	1,4	1,4	NUM
bjp-84324	169	13	-	-	NOUN
bjp-84324	169	14	benzoquinone	benzoquinone	NOUN
bjp-84324	169	15	,	,	PUNCT
bjp-84324	169	16	further	far	ADV
bjp-84324	169	17	confirming	confirm	VERB
bjp-84324	169	18	the	the	DET
bjp-84324	169	19	results	result	NOUN
bjp-84324	169	20	(	(	PUNCT
bjp-84324	169	21	mazzei	mazzei	X
bjp-84324	169	22	et	et	PROPN
bjp-84324	169	23	al	al	PROPN
bjp-84324	169	24	.	.	PROPN
bjp-84324	169	25	,	,	PUNCT
bjp-84324	169	26	2016	2016	NUM
bjp-84324	169	27	;	;	PUNCT
bjp-84324	169	28	macomber	macomber	PROPN
bjp-84324	169	29	et	et	PROPN
bjp-84324	169	30	al	al	PROPN
bjp-84324	169	31	.	.	PROPN
bjp-84324	169	32	,	,	PUNCT
bjp-84324	169	33	2015	2015	NUM
bjp-84324	169	34	;	;	PUNCT
bjp-84324	169	35	tan	tan	PROPN
bjp-84324	169	36	et	et	PROPN
bjp-84324	169	37	al	al	PROPN
bjp-84324	169	38	.	.	PROPN
bjp-84324	169	39	,	,	PUNCT
bjp-84324	169	40	2013	2013	NUM
bjp-84324	169	41	)	)	PUNCT
bjp-84324	169	42	.	.	PUNCT
bjp-84324	170	1	in	in	ADP
bjp-84324	170	2	terms	term	NOUN
bjp-84324	170	3	of	of	ADP
bjp-84324	170	4	the	the	DET
bjp-84324	170	5	binding	bind	VERB
bjp-84324	170	6	energies	energy	NOUN
bjp-84324	170	7	of	of	ADP
bjp-84324	170	8	10a(r	10a(r	NUM
bjp-84324	170	9	)	)	PUNCT
bjp-84324	170	10	,	,	PUNCT
bjp-84324	170	11	10a(s	10a(s	NUM
bjp-84324	170	12	)	)	PUNCT
bjp-84324	170	13	,	,	PUNCT
bjp-84324	170	14	and	and	CCONJ
bjp-84324	170	15	thiourea	thiourea	NOUN
bjp-84324	170	16	,	,	PUNCT
bjp-84324	170	17	the	the	DET
bjp-84324	170	18	r	r	NOUN
bjp-84324	170	19	enantiomer	enantiomer	NOUN
bjp-84324	170	20	exhibited	exhibit	VERB
bjp-84324	170	21	the	the	DET
bjp-84324	170	22	strongest	strong	ADJ
bjp-84324	170	23	binding	binding	NOUN
bjp-84324	170	24	,	,	PUNCT
bjp-84324	170	25	followed	follow	VERB
bjp-84324	170	26	by	by	ADP
bjp-84324	170	27	the	the	DET
bjp-84324	170	28	s	s	PROPN
bjp-84324	170	29	enantiomer	enantiomer	NOUN
bjp-84324	170	30	,	,	PUNCT
bjp-84324	170	31	while	while	SCONJ
bjp-84324	170	32	thiourea	thiourea	NOUN
bjp-84324	170	33	,	,	PUNCT
bjp-84324	170	34	despite	despite	SCONJ
bjp-84324	170	35	its	its	PRON
bjp-84324	170	36	smaller	small	ADJ
bjp-84324	170	37	size	size	NOUN
bjp-84324	170	38	and	and	CCONJ
bjp-84324	170	39	deeper	deep	ADJ
bjp-84324	170	40	penetration	penetration	NOUN
bjp-84324	170	41	into	into	ADP
bjp-84324	170	42	the	the	DET
bjp-84324	170	43	catalytic	catalytic	ADJ
bjp-84324	170	44	core	core	NOUN
bjp-84324	170	45	,	,	PUNCT
bjp-84324	170	46	showed	show	VERB
bjp-84324	170	47	a	a	DET
bjp-84324	170	48	substantially	substantially	ADV
bjp-84324	170	49	weaker	weak	ADJ
bjp-84324	170	50	interaction	interaction	NOUN
bjp-84324	170	51	,	,	PUNCT
bjp-84324	170	52	highlighting	highlight	VERB
bjp-84324	170	53	that	that	SCONJ
bjp-84324	170	54	both	both	DET
bjp-84324	170	55	enantiomers	enantiomer	NOUN
bjp-84324	170	56	contribute	contribute	VERB
bjp-84324	170	57	comparably	comparably	ADV
bjp-84324	170	58	to	to	ADP
bjp-84324	170	59	the	the	DET
bjp-84324	170	60	potency	potency	NOUN
bjp-84324	170	61	of	of	ADP
bjp-84324	170	62	the	the	DET
bjp-84324	170	63	racemate	racemate	NOUN
bjp-84324	170	64	.	.	PUNCT
bjp-84324	171	1	unlike	unlike	ADP
bjp-84324	171	2	thiourea	thiourea	NOUN
bjp-84324	171	3	,	,	PUNCT
bjp-84324	171	4	bulkier	bulky	ADJ
bjp-84324	171	5	scaffold	scaffold	NOUN
bjp-84324	171	6	of	of	ADP
bjp-84324	171	7	compound	compound	NOUN
bjp-84324	171	8	(	(	PUNCT
bjp-84324	171	9	10a	10a	NOUN
bjp-84324	171	10	)	)	PUNCT
bjp-84324	171	11	interacts	interact	VERB
bjp-84324	171	12	more	more	ADV
bjp-84324	171	13	extensively	extensively	ADV
bjp-84324	171	14	with	with	ADP
bjp-84324	171	15	the	the	DET
bjp-84324	171	16	activesite	activesite	ADJ
bjp-84324	171	17	flap	flap	NOUN
bjp-84324	171	18	residues	residue	NOUN
bjp-84324	171	19	cme592	cme592	NOUN
bjp-84324	171	20	and	and	CCONJ
bjp-84324	171	21	arg439	arg439	PROPN
bjp-84324	171	22	key	key	ADJ
bjp-84324	171	23	regions	region	NOUN
bjp-84324	171	24	two	two	NUM
bjp-84324	171	25	key	key	ADJ
bjp-84324	171	26	conserved	conserve	VERB
bjp-84324	171	27	residues	residue	NOUN
bjp-84324	171	28	within	within	ADP
bjp-84324	171	29	the	the	DET
bjp-84324	171	30	catalytic	catalytic	ADJ
bjp-84324	171	31	pocket	pocket	NOUN
bjp-84324	171	32	,	,	PUNCT
bjp-84324	171	33	providing	provide	VERB
bjp-84324	171	34	mechanistic	mechanistic	ADJ
bjp-84324	171	35	justification	justification	NOUN
bjp-84324	171	36	for	for	ADP
bjp-84324	171	37	enzyme	enzyme	NOUN
bjp-84324	171	38	inhibition	inhibition	NOUN
bjp-84324	171	39	and	and	CCONJ
bjp-84324	171	40	further	far	ADV
bjp-84324	171	41	validating	validate	VERB
bjp-84324	171	42	the	the	DET
bjp-84324	171	43	superior	superior	ADJ
bjp-84324	171	44	ic₅₀	ic₅₀	PROPN
bjp-84324	171	45	of	of	ADP
bjp-84324	171	46	(	(	PUNCT
bjp-84324	171	47	10a	10a	NOUN
bjp-84324	171	48	)	)	PUNCT
bjp-84324	171	49	.	.	PUNCT
bjp-84324	172	1	since	since	SCONJ
bjp-84324	172	2	the	the	DET
bjp-84324	172	3	most	most	ADV
bjp-84324	172	4	active	active	ADJ
bjp-84324	172	5	compound	compound	NOUN
bjp-84324	172	6	(	(	PUNCT
bjp-84324	172	7	10a	10a	NOUN
bjp-84324	172	8	)	)	PUNCT
bjp-84324	172	9	was	be	AUX
bjp-84324	172	10	formed	form	VERB
bjp-84324	172	11	as	as	ADP
bjp-84324	172	12	a	a	DET
bjp-84324	172	13	racemate	racemate	NOUN
bjp-84324	172	14	,	,	PUNCT
bjp-84324	172	15	it	it	PRON
bjp-84324	172	16	was	be	AUX
bjp-84324	172	17	necessary	necessary	ADJ
bjp-84324	172	18	to	to	PART
bjp-84324	172	19	check	check	VERB
bjp-84324	172	20	if	if	SCONJ
bjp-84324	172	21	both	both	DET
bjp-84324	172	22	enantiomers	enantiomer	NOUN
bjp-84324	172	23	give	give	VERB
bjp-84324	172	24	similar	similar	ADJ
bjp-84324	172	25	performance	performance	NOUN
bjp-84324	172	26	as	as	ADP
bjp-84324	172	27	ligands	ligand	NOUN
bjp-84324	172	28	on	on	ADP
bjp-84324	172	29	urease	urease	NOUN
bjp-84324	172	30	,	,	PUNCT
bjp-84324	172	31	molecular	molecular	ADJ
bjp-84324	172	32	dynamics	dynamic	NOUN
bjp-84324	172	33	simulations	simulation	NOUN
bjp-84324	172	34	were	be	AUX
bjp-84324	172	35	conducted	conduct	VERB
bjp-84324	172	36	on	on	ADP
bjp-84324	172	37	predocked	predocke	VERB
bjp-84324	172	38	conformations	conformation	NOUN
bjp-84324	172	39	of	of	ADP
bjp-84324	172	40	10a(r	10a(r	NUM
bjp-84324	172	41	)	)	PUNCT
bjp-84324	172	42	,	,	PUNCT
bjp-84324	172	43	10a(s	10a(s	NUM
bjp-84324	172	44	)	)	PUNCT
bjp-84324	172	45	,	,	PUNCT
bjp-84324	172	46	and	and	CCONJ
bjp-84324	172	47	thiourea	thiourea	NOUN
bjp-84324	172	48	,	,	PUNCT
bjp-84324	172	49	over	over	ADP
bjp-84324	172	50	a	a	DET
bjp-84324	172	51	15	15	NUM
bjp-84324	172	52	nsec	nsec	ADJ
bjp-84324	172	53	production	production	NOUN
bjp-84324	172	54	run	run	NOUN
bjp-84324	172	55	.	.	PUNCT
bjp-84324	173	1	this	this	DET
bjp-84324	173	2	timeframe	timeframe	NOUN
bjp-84324	173	3	was	be	AUX
bjp-84324	173	4	selected	select	VERB
bjp-84324	173	5	to	to	PART
bjp-84324	173	6	balance	balance	VERB
bjp-84324	173	7	computational	computational	ADJ
bjp-84324	173	8	efficiency	efficiency	NOUN
bjp-84324	173	9	with	with	ADP
bjp-84324	173	10	sufficient	sufficient	ADJ
bjp-84324	173	11	conformational	conformational	ADJ
bjp-84324	173	12	sampling	sampling	NOUN
bjp-84324	173	13	and	and	CCONJ
bjp-84324	173	14	equilibration	equilibration	NOUN
bjp-84324	173	15	for	for	ADP
bjp-84324	173	16	evaluation	evaluation	NOUN
bjp-84324	173	17	of	of	ADP
bjp-84324	173	18	dynamic	dynamic	ADJ
bjp-84324	173	19	performance	performance	NOUN
bjp-84324	173	20	of	of	ADP
bjp-84324	173	21	ligand	ligand	NOUN
bjp-84324	173	22	.	.	PUNCT
bjp-84324	174	1	to	to	PART
bjp-84324	174	2	evaluate	evaluate	VERB
bjp-84324	174	3	the	the	DET
bjp-84324	174	4	individual	individual	ADJ
bjp-84324	174	5	urease	urease	VERB
bjp-84324	174	6	inhibitory	inhibitory	ADJ
bjp-84324	174	7	activity	activity	NOUN
bjp-84324	174	8	of	of	ADP
bjp-84324	174	9	both	both	DET
bjp-84324	174	10	enantiomers	enantiomer	NOUN
bjp-84324	174	11	of	of	ADP
bjp-84324	174	12	the	the	DET
bjp-84324	174	13	lead	lead	ADJ
bjp-84324	174	14	molecules	molecule	NOUN
bjp-84324	174	15	(	(	PUNCT
bjp-84324	174	16	10a	10a	NOUN
bjp-84324	174	17	)	)	PUNCT
bjp-84324	174	18	against	against	ADP
bjp-84324	174	19	that	that	PRON
bjp-84324	174	20	of	of	ADP
bjp-84324	174	21	thiourea	thiourea	NOUN
bjp-84324	174	22	,	,	PUNCT
bjp-84324	174	23	deep	deep	ADJ
bjp-84324	174	24	molecular	molecular	ADJ
bjp-84324	174	25	dynamics	dynamic	NOUN
bjp-84324	174	26	based	base	VERB
bjp-84324	174	27	ligand	ligand	NOUN
bjp-84324	174	28	scoring	scoring	NOUN
bjp-84324	174	29	methodology	methodology	NOUN
bjp-84324	174	30	was	be	AUX
bjp-84324	174	31	implemented	implement	VERB
bjp-84324	174	32	,	,	PUNCT
bjp-84324	174	33	developed	develop	VERB
bjp-84324	174	34	before	before	ADV
bjp-84324	174	35	(	(	PUNCT
bjp-84324	174	36	sheikh	sheikh	NOUN
bjp-84324	174	37	et	et	PROPN
bjp-84324	174	38	al	al	PROPN
bjp-84324	174	39	.	.	PROPN
bjp-84324	174	40	,	,	PUNCT
bjp-84324	174	41	2024	2024	NUM
bjp-84324	174	42	)	)	PUNCT
bjp-84324	174	43	.	.	PUNCT
bjp-84324	175	1	unlike	unlike	ADP
bjp-84324	175	2	traditional	traditional	ADJ
bjp-84324	175	3	static	static	ADJ
bjp-84324	175	4	approaches	approach	NOUN
bjp-84324	175	5	such	such	ADJ
bjp-84324	175	6	as	as	ADP
bjp-84324	175	7	docking	docking	NOUN
bjp-84324	175	8	,	,	PUNCT
bjp-84324	175	9	quantum	quantum	NOUN
bjp-84324	175	10	mechanics	mechanic	NOUN
bjp-84324	175	11	(	(	PUNCT
bjp-84324	175	12	qm	qm	PROPN
bjp-84324	175	13	)	)	PUNCT
bjp-84324	175	14	,	,	PUNCT
bjp-84324	175	15	and	and	CCONJ
bjp-84324	175	16	rulebased	rulebase	VERB
bjp-84324	175	17	scoring	scoring	NOUN
bjp-84324	175	18	,	,	PUNCT
bjp-84324	175	19	this	this	DET
bjp-84324	175	20	molecular	molecular	ADJ
bjp-84324	175	21	dynamic	dynamic	ADJ
bjp-84324	175	22	based	base	VERB
bjp-84324	175	23	scoring	scoring	NOUN
bjp-84324	175	24	approach	approach	NOUN
bjp-84324	175	25	integrates	integrate	VERB
bjp-84324	175	26	real	real	ADJ
bjp-84324	175	27	-	-	PUNCT
bjp-84324	175	28	time	time	NOUN
bjp-84324	175	29	ligand	ligand	NOUN
bjp-84324	175	30	-	-	PUNCT
bjp-84324	175	31	protein	protein	NOUN
bjp-84324	175	32	interaction	interaction	NOUN
bjp-84324	175	33	for	for	ADP
bjp-84324	175	34	a	a	DET
bjp-84324	175	35	more	more	ADV
bjp-84324	175	36	physiologically	physiologically	ADV
bjp-84324	175	37	realistic	realistic	ADJ
bjp-84324	175	38	assessment	assessment	NOUN
bjp-84324	175	39	of	of	ADP
bjp-84324	175	40	ligand	ligand	ADJ
bjp-84324	175	41	behavior	behavior	NOUN
bjp-84324	175	42	.	.	PUNCT
bjp-84324	176	1	traditional	traditional	ADJ
bjp-84324	176	2	molecular	molecular	ADJ
bjp-84324	176	3	dynamics	dynamic	NOUN
bjp-84324	176	4	simulations	simulation	NOUN
bjp-84324	176	5	generate	generate	VERB
bjp-84324	176	6	time	time	NOUN
bjp-84324	176	7	-	-	PUNCT
bjp-84324	176	8	dependent	dependent	ADJ
bjp-84324	176	9	interaction	interaction	NOUN
bjp-84324	176	10	data	datum	NOUN
bjp-84324	176	11	that	that	PRON
bjp-84324	176	12	can	can	AUX
bjp-84324	176	13	not	not	PART
bjp-84324	176	14	directly	directly	ADV
bjp-84324	176	15	compare	compare	VERB
bjp-84324	176	16	ligands	ligand	NOUN
bjp-84324	176	17	for	for	ADP
bjp-84324	176	18	ranking	rank	VERB
bjp-84324	176	19	purposes	purpose	NOUN
bjp-84324	176	20	.	.	PUNCT
bjp-84324	177	1	this	this	DET
bjp-84324	177	2	approach	approach	NOUN
bjp-84324	177	3	overcomes	overcome	VERB
bjp-84324	177	4	this	this	DET
bjp-84324	177	5	shortcoming	shortcoming	NOUN
bjp-84324	177	6	by	by	ADP
bjp-84324	177	7	extracting	extract	VERB
bjp-84324	177	8	dynamic	dynamic	ADJ
bjp-84324	177	9	properties	property	NOUN
bjp-84324	177	10	including	include	VERB
bjp-84324	177	11	hydrogen	hydrogen	NOUN
bjp-84324	177	12	-	-	PUNCT
bjp-84324	177	13	bonding	bonding	NOUN
bjp-84324	177	14	,	,	PUNCT
bjp-84324	177	15	hydrophobic	hydrophobic	NOUN
bjp-84324	177	16	interactions	interaction	NOUN
bjp-84324	177	17	,	,	PUNCT
bjp-84324	177	18	lennard	lennard	PROPN
bjp-84324	177	19	-	-	PUNCT
bjp-84324	177	20	jones	jones	PROPN
bjp-84324	177	21	and	and	CCONJ
bjp-84324	177	22	coulombic	coulombic	ADJ
bjp-84324	177	23	interaction	interaction	NOUN
bjp-84324	177	24	energies	energy	NOUN
bjp-84324	177	25	,	,	PUNCT
bjp-84324	177	26	and	and	CCONJ
bjp-84324	177	27	transforming	transform	VERB
bjp-84324	177	28	them	they	PRON
bjp-84324	177	29	into	into	ADP
bjp-84324	177	30	numerical	numerical	ADJ
bjp-84324	177	31	scores	score	NOUN
bjp-84324	177	32	through	through	ADP
bjp-84324	177	33	normalization	normalization	NOUN
bjp-84324	177	34	and	and	CCONJ
bjp-84324	177	35	principal	principal	ADJ
bjp-84324	177	36	component	component	NOUN
bjp-84324	177	37	analysis	analysis	NOUN
bjp-84324	177	38	.	.	PUNCT
bjp-84324	178	1	this	this	PRON
bjp-84324	178	2	generates	generate	VERB
bjp-84324	178	3	final	final	ADJ
bjp-84324	178	4	scores	score	NOUN
bjp-84324	178	5	in	in	ADP
bjp-84324	178	6	terms	term	NOUN
bjp-84324	178	7	of	of	ADP
bjp-84324	178	8	both	both	CCONJ
bjp-84324	178	9	stability	stability	NOUN
bjp-84324	178	10	and	and	CCONJ
bjp-84324	178	11	strength	strength	NOUN
bjp-84324	178	12	of	of	ADP
bjp-84324	178	13	interaction	interaction	NOUN
bjp-84324	178	14	with	with	ADP
bjp-84324	178	15	protein	protein	NOUN
bjp-84324	178	16	,	,	PUNCT
bjp-84324	178	17	thus	thus	ADV
bjp-84324	178	18	giving	give	VERB
bjp-84324	178	19	an	an	DET
bjp-84324	178	20	in	in	ADP
bjp-84324	178	21	-	-	PUNCT
bjp-84324	178	22	depth	depth	NOUN
bjp-84324	178	23	picture	picture	NOUN
bjp-84324	178	24	of	of	ADP
bjp-84324	178	25	individual	individual	ADJ
bjp-84324	178	26	ligand	ligand	ADJ
bjp-84324	178	27	performance	performance	NOUN
bjp-84324	178	28	.	.	PUNCT
bjp-84324	179	1	this	this	PRON
bjp-84324	179	2	allows	allow	VERB
bjp-84324	179	3	for	for	ADP
bjp-84324	179	4	a	a	DET
bjp-84324	179	5	relative	relative	ADJ
bjp-84324	179	6	evaluation	evaluation	NOUN
bjp-84324	179	7	of	of	ADP
bjp-84324	179	8	both	both	DET
bjp-84324	179	9	enantiomers	enantiomer	NOUN
bjp-84324	179	10	within	within	ADP
bjp-84324	179	11	the	the	DET
bjp-84324	179	12	same	same	ADJ
bjp-84324	179	13	dynamic	dynamic	ADJ
bjp-84324	179	14	environment	environment	NOUN
bjp-84324	179	15	.	.	PUNCT
bjp-84324	180	1	such	such	ADJ
bjp-84324	180	2	dynamic	dynamic	ADJ
bjp-84324	180	3	evaluation	evaluation	NOUN
bjp-84324	180	4	also	also	ADV
bjp-84324	180	5	allows	allow	VERB
bjp-84324	180	6	pharmacophore	pharmacophore	ADJ
bjp-84324	180	7	prioritization	prioritization	NOUN
bjp-84324	180	8	without	without	ADP
bjp-84324	180	9	physical	physical	ADJ
bjp-84324	180	10	resolution	resolution	NOUN
bjp-84324	180	11	,	,	PUNCT
bjp-84324	180	12	offering	offer	VERB
bjp-84324	180	13	a	a	DET
bjp-84324	180	14	computational	computational	ADJ
bjp-84324	180	15	strategy	strategy	NOUN
bjp-84324	180	16	applicable	applicable	ADJ
bjp-84324	180	17	to	to	ADP
bjp-84324	180	18	other	other	ADJ
bjp-84324	180	19	enantiomeric	enantiomeric	ADJ
bjp-84324	180	20	scaffolds	scaffold	NOUN
bjp-84324	180	21	targeting	target	VERB
bjp-84324	180	22	conserved	conserve	VERB
bjp-84324	180	23	enzyme	enzyme	NOUN
bjp-84324	180	24	pockets	pocket	NOUN
bjp-84324	180	25	.	.	PUNCT
bjp-84324	181	1	this	this	PRON
bjp-84324	181	2	confirms	confirm	VERB
bjp-84324	181	3	whether	whether	SCONJ
bjp-84324	181	4	the	the	DET
bjp-84324	181	5	(	(	PUNCT
bjp-84324	181	6	±	±	NOUN
bjp-84324	181	7	)	)	PUNCT
bjp-84324	181	8	racemate	racemate	VERB
bjp-84324	181	9	itself	itself	PRON
bjp-84324	181	10	is	be	AUX
bjp-84324	181	11	sufficient	sufficient	ADJ
bjp-84324	181	12	for	for	ADP
bjp-84324	181	13	bioactivity	bioactivity	NOUN
bjp-84324	181	14	or	or	CCONJ
bjp-84324	181	15	requires	require	VERB
bjp-84324	181	16	costly	costly	ADJ
bjp-84324	181	17	resolution	resolution	NOUN
bjp-84324	181	18	into	into	ADP
bjp-84324	181	19	pure	pure	ADJ
bjp-84324	181	20	isomers	isomer	NOUN
bjp-84324	181	21	.	.	PUNCT
bjp-84324	182	1	this	this	DET
bjp-84324	182	2	insight	insight	NOUN
bjp-84324	182	3	establishes	establish	VERB
bjp-84324	182	4	a	a	DET
bjp-84324	182	5	foundation	foundation	NOUN
bjp-84324	182	6	for	for	ADP
bjp-84324	182	7	further	further	ADJ
bjp-84324	182	8	refinement	refinement	NOUN
bjp-84324	182	9	and	and	CCONJ
bjp-84324	182	10	development	development	NOUN
bjp-84324	182	11	of	of	ADP
bjp-84324	182	12	highly	highly	ADV
bjp-84324	182	13	potent	potent	ADJ
bjp-84324	182	14	pharmacophore	pharmacophore	NOUN
bjp-84324	182	15	,	,	PUNCT
bjp-84324	182	16	enabling	enable	VERB
bjp-84324	182	17	the	the	DET
bjp-84324	182	18	optimization	optimization	NOUN
bjp-84324	182	19	of	of	ADP
bjp-84324	182	20	molecular	molecular	ADJ
bjp-84324	182	21	features	feature	NOUN
bjp-84324	182	22	that	that	PRON
bjp-84324	182	23	enhance	enhance	VERB
bjp-84324	182	24	selective	selective	ADJ
bjp-84324	182	25	efficacy	efficacy	NOUN
bjp-84324	182	26	.	.	PUNCT
bjp-84324	183	1	the	the	DET
bjp-84324	183	2	molecular	molecular	ADJ
bjp-84324	183	3	dynamics	dynamic	NOUN
bjp-84324	183	4	simulation	simulation	NOUN
bjp-84324	183	5	converted	convert	VERB
bjp-84324	183	6	static	static	ADJ
bjp-84324	183	7	docking	docking	NOUN
bjp-84324	183	8	poses	pose	NOUN
bjp-84324	183	9	into	into	ADP
bjp-84324	183	10	realistic	realistic	ADJ
bjp-84324	183	11	time	time	NOUN
bjp-84324	183	12	-	-	PUNCT
bjp-84324	183	13	based	base	VERB
bjp-84324	183	14	dynamic	dynamic	ADJ
bjp-84324	183	15	models	model	NOUN
bjp-84324	183	16	,	,	PUNCT
bjp-84324	183	17	enabling	enable	VERB
bjp-84324	183	18	the	the	DET
bjp-84324	183	19	ligands	ligand	NOUN
bjp-84324	183	20	to	to	PART
bjp-84324	183	21	adapt	adapt	VERB
bjp-84324	183	22	energetically	energetically	ADV
bjp-84324	183	23	favorable	favorable	ADJ
bjp-84324	183	24	conformations	conformation	NOUN
bjp-84324	183	25	within	within	ADP
bjp-84324	183	26	the	the	DET
bjp-84324	183	27	binding	bind	VERB
bjp-84324	183	28	pocket	pocket	NOUN
bjp-84324	183	29	.	.	PUNCT
bjp-84324	184	1	the	the	DET
bjp-84324	184	2	extracted	extract	VERB
bjp-84324	184	3	properties	property	NOUN
bjp-84324	184	4	from	from	ADP
bjp-84324	184	5	the	the	DET
bjp-84324	184	6	dynamic	dynamic	ADJ
bjp-84324	184	7	run	run	NOUN
bjp-84324	184	8	were	be	AUX
bjp-84324	184	9	grouped	group	VERB
bjp-84324	184	10	into	into	ADP
bjp-84324	184	11	two	two	NUM
bjp-84324	184	12	scoring	scoring	NOUN
bjp-84324	184	13	functions	function	NOUN
bjp-84324	184	14	.	.	PUNCT
bjp-84324	185	1	scoring	scoring	NOUN
bjp-84324	185	2	function	function	NOUN
bjp-84324	185	3	1	1	NUM
bjp-84324	185	4	captured	capture	VERB
bjp-84324	185	5	the	the	DET
bjp-84324	185	6	fluctuation	fluctuation	NOUN
bjp-84324	185	7	of	of	ADP
bjp-84324	185	8	interactions	interaction	NOUN
bjp-84324	185	9	through	through	ADP
bjp-84324	185	10	standard	standard	ADJ
bjp-84324	185	11	deviations	deviation	NOUN
bjp-84324	185	12	of	of	ADP
bjp-84324	185	13	number	number	NOUN
bjp-84324	185	14	of	of	ADP
bjp-84324	185	15	hydrogen	hydrogen	NOUN
bjp-84324	185	16	-	-	PUNCT
bjp-84324	185	17	bonds	bond	NOUN
bjp-84324	185	18	(	(	PUNCT
bjp-84324	185	19	within	within	ADP
bjp-84324	185	20	0.35	0.35	NUM
bjp-84324	185	21	nm	nm	NOUN
bjp-84324	185	22	)	)	PUNCT
bjp-84324	185	23	,	,	PUNCT
bjp-84324	185	24	hydrophobic	hydrophobic	NOUN
bjp-84324	185	25	interactions	interaction	NOUN
bjp-84324	185	26	,	,	PUNCT
bjp-84324	185	27	lennard	lennard	PROPN
bjp-84324	185	28	-	-	PUNCT
bjp-84324	185	29	jones	jones	PROPN
bjp-84324	185	30	(	(	PUNCT
bjp-84324	185	31	elj	elj	PROPN
bjp-84324	185	32	)	)	PUNCT
bjp-84324	185	33	,	,	PUNCT
bjp-84324	185	34	and	and	CCONJ
bjp-84324	185	35	coulombic	coulombic	ADJ
bjp-84324	185	36	(	(	PUNCT
bjp-84324	185	37	ec	ec	PROPN
bjp-84324	185	38	)	)	PUNCT
bjp-84324	185	39	energies	energy	NOUN
bjp-84324	185	40	)	)	PUNCT
bjp-84324	185	41	.	.	PUNCT
bjp-84324	186	1	scoring	score	VERB
bjp-84324	186	2	function	function	NOUN
bjp-84324	186	3	2	2	NUM
bjp-84324	186	4	evaluated	evaluate	VERB
bjp-84324	186	5	the	the	DET
bjp-84324	186	6	strength	strength	NOUN
bjp-84324	186	7	of	of	ADP
bjp-84324	186	8	ligand	ligand	NOUN
bjp-84324	186	9	-	-	PUNCT
bjp-84324	186	10	protein	protein	NOUN
bjp-84324	186	11	interactions	interaction	NOUN
bjp-84324	186	12	using	use	VERB
bjp-84324	186	13	the	the	DET
bjp-84324	186	14	averages	average	NOUN
bjp-84324	186	15	of	of	ADP
bjp-84324	186	16	the	the	DET
bjp-84324	186	17	same	same	ADJ
bjp-84324	186	18	four	four	NUM
bjp-84324	186	19	molecular	molecular	ADJ
bjp-84324	186	20	dynamics	dynamic	NOUN
bjp-84324	186	21	properties	property	NOUN
bjp-84324	186	22	.	.	PUNCT
bjp-84324	187	1	to	to	PART
bjp-84324	187	2	assign	assign	VERB
bjp-84324	187	3	a	a	DET
bjp-84324	187	4	single	single	ADJ
bjp-84324	187	5	numerical	numerical	ADJ
bjp-84324	187	6	value	value	NOUN
bjp-84324	187	7	to	to	ADP
bjp-84324	187	8	large	large	ADJ
bjp-84324	187	9	time	time	NOUN
bjp-84324	187	10	-	-	PUNCT
bjp-84324	187	11	based	base	VERB
bjp-84324	187	12	data	datum	NOUN
bjp-84324	187	13	of	of	ADP
bjp-84324	187	14	molecular	molecular	ADJ
bjp-84324	187	15	dynamics	dynamic	NOUN
bjp-84324	187	16	properties	property	NOUN
bjp-84324	187	17	,	,	PUNCT
bjp-84324	187	18	static	static	ADJ
bjp-84324	187	19	factors	factor	NOUN
bjp-84324	187	20	were	be	AUX
bjp-84324	187	21	extracted	extract	VERB
bjp-84324	187	22	as	as	ADP
bjp-84324	187	23	either	either	CCONJ
bjp-84324	187	24	standard	standard	ADJ
bjp-84324	187	25	deviations	deviation	NOUN
bjp-84324	187	26	(	(	PUNCT
bjp-84324	187	27	to	to	PART
bjp-84324	187	28	assess	assess	VERB
bjp-84324	187	29	fluctuation	fluctuation	NOUN
bjp-84324	187	30	)	)	PUNCT
bjp-84324	187	31	or	or	CCONJ
bjp-84324	187	32	averages	average	NOUN
bjp-84324	187	33	(	(	PUNCT
bjp-84324	187	34	to	to	PART
bjp-84324	187	35	assess	assess	VERB
bjp-84324	187	36	magnitude	magnitude	NOUN
bjp-84324	187	37	)	)	PUNCT
bjp-84324	187	38	and	and	CCONJ
bjp-84324	187	39	were	be	AUX
bjp-84324	187	40	normalized	normalize	VERB
bjp-84324	187	41	to	to	ADP
bjp-84324	187	42	a	a	DET
bjp-84324	187	43	scale	scale	NOUN
bjp-84324	187	44	of	of	ADP
bjp-84324	187	45	0–1	0–1	NOUN
bjp-84324	187	46	(	(	PUNCT
bjp-84324	187	47	eq	eq	NOUN
bjp-84324	187	48	.	.	NOUN
bjp-84324	187	49	1	1	NUM
bjp-84324	187	50	and	and	CCONJ
bjp-84324	187	51	2	2	NUM
bjp-84324	187	52	)	)	PUNCT
bjp-84324	187	53	,	,	PUNCT
bjp-84324	187	54	depending	depend	VERB
bjp-84324	187	55	on	on	ADP
bjp-84324	187	56	whether	whether	SCONJ
bjp-84324	187	57	lower	low	ADJ
bjp-84324	187	58	or	or	CCONJ
bjp-84324	187	59	higher	high	ADJ
bjp-84324	187	60	values	value	NOUN
bjp-84324	187	61	indicated	indicate	VERB
bjp-84324	187	62	better	well	ADJ
bjp-84324	187	63	performance	performance	NOUN
bjp-84324	187	64	.	.	PUNCT
bjp-84324	188	1	scoring	scoring	NOUN
bjp-84324	188	2	function	function	NOUN
bjp-84324	188	3	1	1	NUM
bjp-84324	188	4	assessed	assess	VERB
bjp-84324	188	5	the	the	DET
bjp-84324	188	6	consistency	consistency	NOUN
bjp-84324	188	7	of	of	ADP
bjp-84324	188	8	ligand	ligand	ADJ
bjp-84324	188	9	–	–	PUNCT
bjp-84324	188	10	protein	protein	NOUN
bjp-84324	188	11	interactions	interaction	NOUN
bjp-84324	188	12	.	.	PUNCT
bjp-84324	189	1	thiourea	thiourea	NOUN
bjp-84324	189	2	showed	show	VERB
bjp-84324	189	3	the	the	DET
bjp-84324	189	4	most	most	ADV
bjp-84324	189	5	unstable	unstable	ADJ
bjp-84324	189	6	interactions	interaction	NOUN
bjp-84324	189	7	across	across	ADP
bjp-84324	189	8	hydrogen	hydrogen	NOUN
bjp-84324	189	9	-	-	PUNCT
bjp-84324	189	10	bonds	bond	NOUN
bjp-84324	189	11	,	,	PUNCT
bjp-84324	189	12	hydrophobic	hydrophobic	NOUN
bjp-84324	189	13	interactions	interaction	NOUN
bjp-84324	189	14	,	,	PUNCT
bjp-84324	189	15	and	and	CCONJ
bjp-84324	189	16	both	both	DET
bjp-84324	189	17	energy	energy	NOUN
bjp-84324	189	18	terms	term	NOUN
bjp-84324	189	19	.	.	PUNCT
bjp-84324	190	1	in	in	ADP
bjp-84324	190	2	contrast	contrast	NOUN
bjp-84324	190	3	,	,	PUNCT
bjp-84324	190	4	both	both	DET
bjp-84324	190	5	10a(r	10a(r	NUM
bjp-84324	190	6	)	)	PUNCT
bjp-84324	190	7	and	and	CCONJ
bjp-84324	190	8	10a(s	10a(s	NUM
bjp-84324	190	9	)	)	PUNCT
bjp-84324	190	10	maintained	maintain	VERB
bjp-84324	190	11	highly	highly	ADV
bjp-84324	190	12	stable	stable	ADJ
bjp-84324	190	13	and	and	CCONJ
bjp-84324	190	14	consistent	consistent	ADJ
bjp-84324	190	15	interaction	interaction	NOUN
bjp-84324	190	16	profiles	profile	NOUN
bjp-84324	190	17	,	,	PUNCT
bjp-84324	190	18	reinforcing	reinforce	VERB
bjp-84324	190	19	the	the	DET
bjp-84324	190	20	functional	functional	ADJ
bjp-84324	190	21	viability	viability	NOUN
bjp-84324	190	22	of	of	ADP
bjp-84324	190	23	the	the	DET
bjp-84324	190	24	(	(	PUNCT
bjp-84324	190	25	±	±	NOUN
bjp-84324	190	26	)	)	PUNCT
bjp-84324	190	27	racemate	racemate	VERB
bjp-84324	190	28	.	.	PUNCT
bjp-84324	191	1	scoring	score	VERB
bjp-84324	191	2	function	function	NOUN
bjp-84324	191	3	2	2	NUM
bjp-84324	191	4	determines	determine	NOUN
bjp-84324	191	5	on	on	ADP
bjp-84324	191	6	the	the	DET
bjp-84324	191	7	magnitude	magnitude	NOUN
bjp-84324	191	8	of	of	ADP
bjp-84324	191	9	interactions	interaction	NOUN
bjp-84324	191	10	.	.	PUNCT
bjp-84324	192	1	while	while	SCONJ
bjp-84324	192	2	thiourea	thiourea	NOUN
bjp-84324	192	3	dominated	dominate	VERB
bjp-84324	192	4	in	in	ADP
bjp-84324	192	5	polar	polar	ADJ
bjp-84324	192	6	contacts	contact	NOUN
bjp-84324	192	7	such	such	ADJ
bjp-84324	192	8	as	as	ADP
bjp-84324	192	9	hydrogen	hydrogen	NOUN
bjp-84324	192	10	-	-	PUNCT
bjp-84324	192	11	bonds	bond	NOUN
bjp-84324	192	12	and	and	CCONJ
bjp-84324	192	13	electrostatic	electrostatic	ADJ
bjp-84324	192	14	energy	energy	NOUN
bjp-84324	192	15	(	(	PUNCT
bjp-84324	192	16	ec	ec	PROPN
bjp-84324	192	17	)	)	PUNCT
bjp-84324	192	18	,	,	PUNCT
bjp-84324	192	19	10a(r	10a(r	NUM
bjp-84324	192	20	)	)	PUNCT
bjp-84324	192	21	demonstrated	demonstrate	VERB
bjp-84324	192	22	stronger	strong	ADJ
bjp-84324	192	23	van	van	PROPN
bjp-84324	192	24	der	der	NOUN
bjp-84324	192	25	waals	waal	NOUN
bjp-84324	192	26	and	and	CCONJ
bjp-84324	192	27	hydrophobic	hydrophobic	NOUN
bjp-84324	192	28	interactions	interaction	NOUN
bjp-84324	192	29	.	.	PUNCT
bjp-84324	193	1	10a(s	10a(s	NUM
bjp-84324	193	2	)	)	PUNCT
bjp-84324	193	3	showed	show	VERB
bjp-84324	193	4	a	a	DET
bjp-84324	193	5	weaker	weak	ADJ
bjp-84324	193	6	interaction	interaction	NOUN
bjp-84324	193	7	profile	profile	NOUN
bjp-84324	193	8	overall	overall	ADV
bjp-84324	193	9	,	,	PUNCT
bjp-84324	193	10	though	though	SCONJ
bjp-84324	193	11	again	again	ADV
bjp-84324	193	12	not	not	PART
bjp-84324	193	13	significantly	significantly	ADV
bjp-84324	193	14	different	different	ADJ
bjp-84324	193	15	from	from	ADP
bjp-84324	193	16	its	its	PRON
bjp-84324	193	17	enantiomer	enantiomer	NOUN
bjp-84324	193	18	.	.	PUNCT
bjp-84324	194	1	these	these	DET
bjp-84324	194	2	findings	finding	NOUN
bjp-84324	194	3	support	support	VERB
bjp-84324	194	4	the	the	DET
bjp-84324	194	5	conclusion	conclusion	NOUN
bjp-84324	194	6	that	that	SCONJ
bjp-84324	194	7	the	the	DET
bjp-84324	194	8	(	(	PUNCT
bjp-84324	194	9	±	±	NOUN
bjp-84324	194	10	)	)	PUNCT
bjp-84324	194	11	racemic	racemic	ADJ
bjp-84324	194	12	mixture	mixture	NOUN
bjp-84324	194	13	of	of	ADP
bjp-84324	194	14	compound	compound	NOUN
bjp-84324	194	15	(	(	PUNCT
bjp-84324	194	16	10a	10a	NOUN
bjp-84324	194	17	)	)	PUNCT
bjp-84324	194	18	can	can	AUX
bjp-84324	194	19	act	act	VERB
bjp-84324	194	20	as	as	ADP
bjp-84324	194	21	a	a	DET
bjp-84324	194	22	potent	potent	ADJ
bjp-84324	194	23	inhibitory	inhibitory	ADJ
bjp-84324	194	24	agent	agent	NOUN
bjp-84324	194	25	without	without	ADP
bjp-84324	194	26	requiring	require	VERB
bjp-84324	194	27	enantiomeric	enantiomeric	ADJ
bjp-84324	194	28	resolution	resolution	NOUN
bjp-84324	194	29	.	.	PUNCT
bjp-84324	195	1	principal	principal	ADJ
bjp-84324	195	2	component	component	NOUN
bjp-84324	195	3	analysis	analysis	NOUN
bjp-84324	195	4	was	be	AUX
bjp-84324	195	5	applied	apply	VERB
bjp-84324	195	6	to	to	ADP
bjp-84324	195	7	the	the	DET
bjp-84324	195	8	normalized	normalize	VERB
bjp-84324	195	9	static	static	ADJ
bjp-84324	195	10	factors	factor	NOUN
bjp-84324	195	11	to	to	PART
bjp-84324	195	12	evaluate	evaluate	VERB
bjp-84324	195	13	the	the	DET
bjp-84324	195	14	contribution	contribution	NOUN
bjp-84324	195	15	of	of	ADP
bjp-84324	195	16	each	each	DET
bjp-84324	195	17	molecular	molecular	ADJ
bjp-84324	195	18	dynamics	dynamic	NOUN
bjp-84324	195	19	property	property	NOUN
bjp-84324	195	20	to	to	ADP
bjp-84324	195	21	overall	overall	ADJ
bjp-84324	195	22	ligand	ligand	ADJ
bjp-84324	195	23	performance	performance	NOUN
bjp-84324	195	24	.	.	PUNCT
bjp-84324	196	1	for	for	ADP
bjp-84324	196	2	each	each	DET
bjp-84324	196	3	scoring	scoring	NOUN
bjp-84324	196	4	function	function	NOUN
bjp-84324	196	5	,	,	PUNCT
bjp-84324	196	6	three	three	NUM
bjp-84324	196	7	components	component	NOUN
bjp-84324	196	8	(	(	PUNCT
bjp-84324	196	9	pc1	pc1	PROPN
bjp-84324	196	10	–	–	PUNCT
bjp-84324	196	11	pc3	pc3	PROPN
bjp-84324	196	12	)	)	PUNCT
bjp-84324	196	13	were	be	AUX
bjp-84324	196	14	retained	retain	VERB
bjp-84324	196	15	,	,	PUNCT
bjp-84324	196	16	collectively	collectively	ADV
bjp-84324	196	17	explaining	explain	VERB
bjp-84324	196	18	100	100	NUM
bjp-84324	196	19	%	%	NOUN
bjp-84324	196	20	of	of	ADP
bjp-84324	196	21	the	the	DET
bjp-84324	196	22	variance	variance	NOUN
bjp-84324	196	23	.	.	PUNCT
bjp-84324	197	1	principal	principal	ADJ
bjp-84324	197	2	component	component	NOUN
bjp-84324	197	3	analysis	analysis	NOUN
bjp-84324	197	4	loadings	loading	NOUN
bjp-84324	197	5	revealed	reveal	VERB
bjp-84324	197	6	that	that	SCONJ
bjp-84324	197	7	scoring	scoring	NOUN
bjp-84324	197	8	function	function	NOUN
bjp-84324	197	9	1	1	NUM
bjp-84324	197	10	(	(	PUNCT
bjp-84324	197	11	interaction	interaction	NOUN
bjp-84324	197	12	fluctuations	fluctuation	NOUN
bjp-84324	197	13	)	)	PUNCT
bjp-84324	197	14	were	be	AUX
bjp-84324	197	15	largely	largely	ADV
bjp-84324	197	16	shaped	shape	VERB
bjp-84324	197	17	by	by	ADP
bjp-84324	197	18	standard	standard	ADJ
bjp-84324	197	19	deviation	deviation	NOUN
bjp-84324	197	20	of	of	ADP
bjp-84324	197	21	hydrogen	hydrogen	NOUN
bjp-84324	197	22	-	-	PUNCT
bjp-84324	197	23	bond	bond	NOUN
bjp-84324	197	24	and	and	CCONJ
bjp-84324	197	25	hydrophobic	hydrophobic	NOUN
bjp-84324	197	26	interaction	interaction	NOUN
bjp-84324	197	27	.	.	PUNCT
bjp-84324	198	1	scoring	scoring	NOUN
bjp-84324	198	2	function	function	NOUN
bjp-84324	198	3	2	2	NUM
bjp-84324	198	4	(	(	PUNCT
bjp-84324	198	5	interaction	interaction	NOUN
bjp-84324	198	6	strength	strength	NOUN
bjp-84324	198	7	)	)	PUNCT
bjp-84324	198	8	was	be	AUX
bjp-84324	198	9	mainly	mainly	ADV
bjp-84324	198	10	determined	determine	VERB
bjp-84324	198	11	by	by	ADP
bjp-84324	198	12	averages	average	NOUN
bjp-84324	198	13	of	of	ADP
bjp-84324	198	14	hydrogen	hydrogen	NOUN
bjp-84324	198	15	-	-	PUNCT
bjp-84324	198	16	bond	bond	NOUN
bjp-84324	198	17	and	and	CCONJ
bjp-84324	198	18	electrostatic	electrostatic	ADJ
bjp-84324	198	19	energy	energy	NOUN
bjp-84324	198	20	(	(	PUNCT
bjp-84324	198	21	ec	ec	PROPN
bjp-84324	198	22	)	)	PUNCT
bjp-84324	198	23	.	.	PUNCT
bjp-84324	199	1	weights	weight	NOUN
bjp-84324	199	2	for	for	ADP
bjp-84324	199	3	scoring	scoring	NOUN
bjp-84324	199	4	were	be	AUX
bjp-84324	199	5	derived	derive	VERB
bjp-84324	199	6	from	from	ADP
bjp-84324	199	7	normalized	normalize	VERB
bjp-84324	199	8	principal	principal	ADJ
bjp-84324	199	9	component	component	NOUN
bjp-84324	199	10	analysis	analysis	NOUN
bjp-84324	199	11	loadings	loading	NOUN
bjp-84324	199	12	,	,	PUNCT
bjp-84324	199	13	ensuring	ensure	VERB
bjp-84324	199	14	that	that	SCONJ
bjp-84324	199	15	each	each	DET
bjp-84324	199	16	property	property	NOUN
bjp-84324	199	17	’s	’s	PART
bjp-84324	199	18	contribution	contribution	NOUN
bjp-84324	199	19	was	be	AUX
bjp-84324	199	20	fairly	fairly	ADV
bjp-84324	199	21	represented	represent	VERB
bjp-84324	199	22	across	across	ADP
bjp-84324	199	23	all	all	DET
bjp-84324	199	24	variance	variance	NOUN
bjp-84324	199	25	components	component	NOUN
bjp-84324	199	26	.	.	PUNCT
bjp-84324	200	1	in	in	ADP
bjp-84324	200	2	terms	term	NOUN
bjp-84324	200	3	of	of	ADP
bjp-84324	200	4	scoring	score	VERB
bjp-84324	200	5	function	function	NOUN
bjp-84324	200	6	1	1	NUM
bjp-84324	200	7	(	(	PUNCT
bjp-84324	200	8	fluctuation	fluctuation	NOUN
bjp-84324	200	9	of	of	ADP
bjp-84324	200	10	interaction	interaction	NOUN
bjp-84324	200	11	)	)	PUNCT
bjp-84324	200	12	the	the	DET
bjp-84324	200	13	highest	high	ADJ
bjp-84324	200	14	score	score	NOUN
bjp-84324	200	15	was	be	AUX
bjp-84324	200	16	observed	observe	VERB
bjp-84324	200	17	for	for	ADP
bjp-84324	200	18	10a(r	10a(r	NUM
bjp-84324	200	19	)	)	PUNCT
bjp-84324	200	20	(	(	PUNCT
bjp-84324	200	21	0.890	0.890	NOUN
bjp-84324	200	22	)	)	PUNCT
bjp-84324	200	23	,	,	PUNCT
bjp-84324	200	24	followed	follow	VERB
bjp-84324	200	25	closely	closely	ADV
bjp-84324	200	26	by	by	ADP
bjp-84324	200	27	10a(s	10a(s	NUM
bjp-84324	200	28	)	)	PUNCT
bjp-84324	200	29	(	(	PUNCT
bjp-84324	200	30	0.879	0.879	NUM
bjp-84324	200	31	)	)	PUNCT
bjp-84324	200	32	,	,	PUNCT
bjp-84324	200	33	indicating	indicate	VERB
bjp-84324	200	34	that	that	SCONJ
bjp-84324	200	35	both	both	DET
bjp-84324	200	36	enantiomers	enantiomer	NOUN
bjp-84324	200	37	formed	form	VERB
bjp-84324	200	38	relatively	relatively	ADV
bjp-84324	200	39	stable	stable	ADJ
bjp-84324	200	40	interactions	interaction	NOUN
bjp-84324	200	41	with	with	ADP
bjp-84324	200	42	the	the	DET
bjp-84324	200	43	protein	protein	NOUN
bjp-84324	200	44	throughout	throughout	ADP
bjp-84324	200	45	the	the	DET
bjp-84324	200	46	simulation	simulation	NOUN
bjp-84324	200	47	.	.	PUNCT
bjp-84324	201	1	thiourea	thiourea	NOUN
bjp-84324	201	2	scored	score	VERB
bjp-84324	201	3	substantially	substantially	ADV
bjp-84324	201	4	lower	low	ADJ
bjp-84324	201	5	(	(	PUNCT
bjp-84324	201	6	0.099	0.099	NUM
bjp-84324	201	7	)	)	PUNCT
bjp-84324	201	8	,	,	PUNCT
bjp-84324	201	9	highlighting	highlight	VERB
bjp-84324	201	10	its	its	PRON
bjp-84324	201	11	poor	poor	ADJ
bjp-84324	201	12	bangladesh	bangladesh	NOUN
bjp-84324	201	13	j	j	PROPN
bjp-84324	201	14	pharmacol	pharmacol	PROPN
bjp-84324	201	15	2025	2025	NUM
bjp-84324	201	16	;	;	PUNCT
bjp-84324	201	17	20	20	NUM
bjp-84324	201	18	:	:	SYM
bjp-84324	201	19	140	140	NUM
bjp-84324	201	20	-	-	SYM
bjp-84324	201	21	149	149	NUM
bjp-84324	201	22	147	147	NUM
bjp-84324	201	23	interaction	interaction	NOUN
bjp-84324	201	24	consistency	consistency	NOUN
bjp-84324	201	25	.	.	PUNCT
bjp-84324	202	1	scoring	scoring	NOUN
bjp-84324	202	2	function	function	NOUN
bjp-84324	202	3	2	2	NUM
bjp-84324	202	4	(	(	PUNCT
bjp-84324	202	5	strength	strength	NOUN
bjp-84324	202	6	of	of	ADP
bjp-84324	202	7	interaction	interaction	NOUN
bjp-84324	202	8	)	)	PUNCT
bjp-84324	202	9	thiourea	thiourea	NOUN
bjp-84324	202	10	ranked	rank	VERB
bjp-84324	202	11	highest	highest	ADV
bjp-84324	202	12	(	(	PUNCT
bjp-84324	202	13	0.643	0.643	NUM
bjp-84324	202	14	)	)	PUNCT
bjp-84324	202	15	,	,	PUNCT
bjp-84324	202	16	reflecting	reflect	VERB
bjp-84324	202	17	its	its	PRON
bjp-84324	202	18	favorable	favorable	ADJ
bjp-84324	202	19	energetic	energetic	ADJ
bjp-84324	202	20	profile	profile	NOUN
bjp-84324	202	21	despite	despite	SCONJ
bjp-84324	202	22	interaction	interaction	NOUN
bjp-84324	202	23	inconsistency	inconsistency	NOUN
bjp-84324	202	24	.	.	PUNCT
bjp-84324	203	1	the	the	DET
bjp-84324	203	2	enantiomer	enantiomer	NOUN
bjp-84324	203	3	10a(r	10a(r	NOUN
bjp-84324	203	4	)	)	PUNCT
bjp-84324	203	5	scored	score	VERB
bjp-84324	203	6	moderately	moderately	ADV
bjp-84324	203	7	(	(	PUNCT
bjp-84324	203	8	0.441	0.441	NUM
bjp-84324	203	9	)	)	PUNCT
bjp-84324	203	10	,	,	PUNCT
bjp-84324	203	11	whereas	whereas	SCONJ
bjp-84324	203	12	10a(s	10a(s	NUM
bjp-84324	203	13	)	)	PUNCT
bjp-84324	203	14	had	have	VERB
bjp-84324	203	15	the	the	DET
bjp-84324	203	16	lowest	low	ADJ
bjp-84324	203	17	score	score	NOUN
bjp-84324	203	18	(	(	PUNCT
bjp-84324	203	19	0.232	0.232	NUM
bjp-84324	203	20	)	)	PUNCT
bjp-84324	203	21	,	,	PUNCT
bjp-84324	203	22	suggesting	suggest	VERB
bjp-84324	203	23	that	that	SCONJ
bjp-84324	203	24	while	while	SCONJ
bjp-84324	203	25	its	its	PRON
bjp-84324	203	26	interactions	interaction	NOUN
bjp-84324	203	27	were	be	AUX
bjp-84324	203	28	consistent	consistent	ADJ
bjp-84324	203	29	,	,	PUNCT
bjp-84324	203	30	they	they	PRON
bjp-84324	203	31	were	be	AUX
bjp-84324	203	32	energetically	energetically	ADV
bjp-84324	203	33	weaker	weak	ADJ
bjp-84324	203	34	overall	overall	ADJ
bjp-84324	203	35	.	.	PUNCT
bjp-84324	204	1	taken	take	VERB
bjp-84324	204	2	together	together	ADV
bjp-84324	204	3	,	,	PUNCT
bjp-84324	204	4	these	these	DET
bjp-84324	204	5	two	two	NUM
bjp-84324	204	6	scoring	scoring	NOUN
bjp-84324	204	7	functions	function	NOUN
bjp-84324	204	8	reveal	reveal	VERB
bjp-84324	204	9	a	a	DET
bjp-84324	204	10	composite	composite	ADJ
bjp-84324	204	11	picture	picture	NOUN
bjp-84324	204	12	of	of	ADP
bjp-84324	204	13	ligand	ligand	ADJ
bjp-84324	204	14	performance	performance	NOUN
bjp-84324	204	15	.	.	PUNCT
bjp-84324	205	1	10a(r	10a(r	NUM
bjp-84324	205	2	)	)	PUNCT
bjp-84324	205	3	combines	combine	VERB
bjp-84324	205	4	consistent	consistent	ADJ
bjp-84324	205	5	and	and	CCONJ
bjp-84324	205	6	strong	strong	ADJ
bjp-84324	205	7	interactions	interaction	NOUN
bjp-84324	205	8	,	,	PUNCT
bjp-84324	205	9	emerging	emerge	VERB
bjp-84324	205	10	as	as	ADP
bjp-84324	205	11	a	a	DET
bjp-84324	205	12	balanced	balanced	ADJ
bjp-84324	205	13	candidate	candidate	NOUN
bjp-84324	205	14	.	.	PUNCT
bjp-84324	205	15	10a(s	10a(s	NUM
bjp-84324	205	16	)	)	PUNCT
bjp-84324	205	17	,	,	PUNCT
bjp-84324	205	18	has	have	VERB
bjp-84324	205	19	high	high	ADJ
bjp-84324	205	20	interaction	interaction	NOUN
bjp-84324	205	21	consistency	consistency	NOUN
bjp-84324	205	22	,	,	PUNCT
bjp-84324	205	23	and	and	CCONJ
bjp-84324	205	24	fair	fair	ADJ
bjp-84324	205	25	level	level	NOUN
bjp-84324	205	26	interaction	interaction	NOUN
bjp-84324	205	27	strength	strength	NOUN
bjp-84324	205	28	.	.	PUNCT
bjp-84324	206	1	the	the	DET
bjp-84324	206	2	similarity	similarity	NOUN
bjp-84324	206	3	of	of	ADP
bjp-84324	206	4	their	their	PRON
bjp-84324	206	5	scores	score	NOUN
bjp-84324	206	6	across	across	ADP
bjp-84324	206	7	all	all	DET
bjp-84324	206	8	two	two	NUM
bjp-84324	206	9	scoring	scoring	NOUN
bjp-84324	206	10	functions	function	NOUN
bjp-84324	206	11	demonstrates	demonstrate	VERB
bjp-84324	206	12	the	the	DET
bjp-84324	206	13	pharmacological	pharmacological	ADJ
bjp-84324	206	14	viability	viability	NOUN
bjp-84324	206	15	of	of	ADP
bjp-84324	206	16	the	the	DET
bjp-84324	206	17	racemic	racemic	ADJ
bjp-84324	206	18	compound	compound	NOUN
bjp-84324	206	19	(	(	PUNCT
bjp-84324	206	20	10a	10a	NUM
bjp-84324	206	21	)	)	PUNCT
bjp-84324	206	22	,	,	PUNCT
bjp-84324	206	23	especially	especially	ADV
bjp-84324	206	24	from	from	ADP
bjp-84324	206	25	a	a	DET
bjp-84324	206	26	synthetic	synthetic	ADJ
bjp-84324	206	27	and	and	CCONJ
bjp-84324	206	28	cost	cost	NOUN
bjp-84324	206	29	-	-	PUNCT
bjp-84324	206	30	efficiency	efficiency	NOUN
bjp-84324	206	31	standpoint	standpoint	NOUN
bjp-84324	206	32	as	as	ADP
bjp-84324	206	33	both	both	DET
bjp-84324	206	34	enantiomers	enantiomer	NOUN
bjp-84324	206	35	being	be	AUX
bjp-84324	206	36	active	active	ADJ
bjp-84324	206	37	negates	negate	VERB
bjp-84324	206	38	the	the	DET
bjp-84324	206	39	need	need	NOUN
bjp-84324	206	40	for	for	ADP
bjp-84324	206	41	stereoselective	stereoselective	ADJ
bjp-84324	206	42	synthesis	synthesis	NOUN
bjp-84324	206	43	or	or	CCONJ
bjp-84324	206	44	costly	costly	ADJ
bjp-84324	206	45	resolution	resolution	NOUN
bjp-84324	206	46	.	.	PUNCT
bjp-84324	207	1	it	it	PRON
bjp-84324	207	2	must	must	AUX
bjp-84324	207	3	be	be	AUX
bjp-84324	207	4	mentioned	mention	VERB
bjp-84324	207	5	that	that	SCONJ
bjp-84324	207	6	while	while	SCONJ
bjp-84324	207	7	racemate	racemate	ADJ
bjp-84324	207	8	activity	activity	NOUN
bjp-84324	207	9	is	be	AUX
bjp-84324	207	10	supported	support	VERB
bjp-84324	207	11	by	by	ADP
bjp-84324	207	12	in	in	ADP
bjp-84324	207	13	vitro	vitro	X
bjp-84324	207	14	data	datum	NOUN
bjp-84324	207	15	and	and	CCONJ
bjp-84324	207	16	molecular	molecular	ADJ
bjp-84324	207	17	dynamics	dynamic	NOUN
bjp-84324	207	18	-	-	PUNCT
bjp-84324	207	19	based	base	VERB
bjp-84324	207	20	interaction	interaction	NOUN
bjp-84324	207	21	profiling	profiling	NOUN
bjp-84324	207	22	,	,	PUNCT
bjp-84324	207	23	further	further	ADJ
bjp-84324	207	24	studies	study	NOUN
bjp-84324	207	25	are	be	AUX
bjp-84324	207	26	needed	need	VERB
bjp-84324	207	27	to	to	PART
bjp-84324	207	28	rule	rule	VERB
bjp-84324	207	29	out	out	ADP
bjp-84324	207	30	enantiomer	enantiomer	NOUN
bjp-84324	207	31	specific	specific	ADJ
bjp-84324	207	32	differences	difference	NOUN
bjp-84324	207	33	in	in	ADP
bjp-84324	207	34	pharmacokinetics	pharmacokinetic	NOUN
bjp-84324	207	35	,	,	PUNCT
bjp-84324	207	36	toxicity	toxicity	NOUN
bjp-84324	207	37	,	,	PUNCT
bjp-84324	207	38	and	and	CCONJ
bjp-84324	207	39	side	side	NOUN
bjp-84324	207	40	effects	effect	NOUN
bjp-84324	207	41	.	.	PUNCT
bjp-84324	208	1	assuming	assume	VERB
bjp-84324	208	2	no	no	DET
bjp-84324	208	3	such	such	ADJ
bjp-84324	208	4	differences	difference	NOUN
bjp-84324	208	5	emerge	emerge	VERB
bjp-84324	208	6	,	,	PUNCT
bjp-84324	208	7	the	the	DET
bjp-84324	208	8	racemate	racemate	NOUN
bjp-84324	208	9	remains	remain	VERB
bjp-84324	208	10	a	a	DET
bjp-84324	208	11	cost	cost	NOUN
bjp-84324	208	12	-	-	PUNCT
bjp-84324	208	13	effective	effective	ADJ
bjp-84324	208	14	option	option	NOUN
bjp-84324	208	15	.	.	PUNCT
bjp-84324	209	1	additionally	additionally	ADV
bjp-84324	209	2	,	,	PUNCT
bjp-84324	209	3	the	the	DET
bjp-84324	209	4	ability	ability	NOUN
bjp-84324	209	5	to	to	PART
bjp-84324	209	6	synthesize	synthesize	VERB
bjp-84324	209	7	this	this	DET
bjp-84324	209	8	scaffold	scaffold	NOUN
bjp-84324	209	9	from	from	ADP
bjp-84324	209	10	achiral	achiral	ADJ
bjp-84324	209	11	precursors	precursor	NOUN
bjp-84324	209	12	without	without	ADP
bjp-84324	209	13	stereoselective	stereoselective	ADJ
bjp-84324	209	14	synthesis	synthesis	NOUN
bjp-84324	209	15	or	or	CCONJ
bjp-84324	209	16	resolution	resolution	NOUN
bjp-84324	209	17	supports	support	VERB
bjp-84324	209	18	its	its	PRON
bjp-84324	209	19	scalability	scalability	NOUN
bjp-84324	209	20	potential	potential	NOUN
bjp-84324	209	21	.	.	PUNCT
bjp-84324	210	1	since	since	SCONJ
bjp-84324	210	2	the	the	DET
bjp-84324	210	3	racemate	racemate	NOUN
bjp-84324	210	4	of	of	ADP
bjp-84324	210	5	compound	compound	NOUN
bjp-84324	210	6	(	(	PUNCT
bjp-84324	210	7	10a	10a	NOUN
bjp-84324	210	8	)	)	PUNCT
bjp-84324	210	9	exhibited	exhibit	VERB
bjp-84324	210	10	highly	highly	ADV
bjp-84324	210	11	potent	potent	ADJ
bjp-84324	210	12	activity	activity	NOUN
bjp-84324	210	13	,	,	PUNCT
bjp-84324	210	14	it	it	PRON
bjp-84324	210	15	is	be	AUX
bjp-84324	210	16	quite	quite	ADV
bjp-84324	210	17	likely	likely	ADJ
bjp-84324	210	18	that	that	SCONJ
bjp-84324	210	19	both	both	DET
bjp-84324	210	20	enantiomers	enantiomer	NOUN
bjp-84324	210	21	contribute	contribute	VERB
bjp-84324	210	22	to	to	ADP
bjp-84324	210	23	inhibition	inhibition	NOUN
bjp-84324	210	24	,	,	PUNCT
bjp-84324	210	25	which	which	PRON
bjp-84324	210	26	is	be	AUX
bjp-84324	210	27	consistent	consistent	ADJ
bjp-84324	210	28	with	with	ADP
bjp-84324	210	29	the	the	DET
bjp-84324	210	30	similar	similar	ADJ
bjp-84324	210	31	molecular	molecular	ADJ
bjp-84324	210	32	dynamics	dynamic	NOUN
bjp-84324	210	33	-	-	PUNCT
bjp-84324	210	34	derived	derive	VERB
bjp-84324	210	35	scores	score	NOUN
bjp-84324	210	36	.	.	PUNCT
bjp-84324	211	1	significant	significant	ADJ
bjp-84324	211	2	potential	potential	NOUN
bjp-84324	211	3	of	of	ADP
bjp-84324	211	4	the	the	DET
bjp-84324	211	5	lead	lead	NOUN
bjp-84324	211	6	compound	compound	NOUN
bjp-84324	211	7	(	(	PUNCT
bjp-84324	211	8	10a	10a	NOUN
bjp-84324	211	9	)	)	PUNCT
bjp-84324	211	10	as	as	ADP
bjp-84324	211	11	racemate	racemate	ADJ
bjp-84324	211	12	is	be	AUX
bjp-84324	211	13	confirmed	confirm	VERB
bjp-84324	211	14	through	through	ADP
bjp-84324	211	15	molecular	molecular	ADJ
bjp-84324	211	16	dynamics	dynamic	NOUN
bjp-84324	211	17	simulations	simulation	NOUN
bjp-84324	211	18	,	,	PUNCT
bjp-84324	211	19	as	as	ADP
bjp-84324	211	20	a	a	DET
bjp-84324	211	21	scaffold	scaffold	NOUN
bjp-84324	211	22	for	for	ADP
bjp-84324	211	23	designing	design	VERB
bjp-84324	211	24	inhibitors	inhibitor	NOUN
bjp-84324	211	25	that	that	PRON
bjp-84324	211	26	may	may	AUX
bjp-84324	211	27	also	also	ADV
bjp-84324	211	28	target	target	VERB
bjp-84324	211	29	other	other	ADJ
bjp-84324	211	30	amidohydrolase	amidohydrolase	NOUN
bjp-84324	211	31	enzymes	enzyme	NOUN
bjp-84324	211	32	,	,	PUNCT
bjp-84324	211	33	based	base	VERB
bjp-84324	211	34	on	on	ADP
bjp-84324	211	35	conserved	conserved	ADJ
bjp-84324	211	36	binding	bind	VERB
bjp-84324	211	37	site	site	NOUN
bjp-84324	211	38	features	feature	NOUN
bjp-84324	211	39	that	that	PRON
bjp-84324	211	40	are	be	AUX
bjp-84324	211	41	observed	observe	VERB
bjp-84324	211	42	in	in	ADP
bjp-84324	211	43	computational	computational	ADJ
bjp-84324	211	44	studies	study	NOUN
bjp-84324	211	45	.	.	PUNCT
bjp-84324	212	1	the	the	DET
bjp-84324	212	2	pharmacophore	pharmacophore	NOUN
bjp-84324	212	3	of	of	ADP
bjp-84324	212	4	compound	compound	NOUN
bjp-84324	212	5	(	(	PUNCT
bjp-84324	212	6	10a	10a	NOUN
bjp-84324	212	7	)	)	PUNCT
bjp-84324	212	8	exhibited	exhibit	VERB
bjp-84324	212	9	superior	superior	ADJ
bjp-84324	212	10	binding	bind	VERB
bjp-84324	212	11	affinity	affinity	NOUN
bjp-84324	212	12	within	within	ADP
bjp-84324	212	13	the	the	DET
bjp-84324	212	14	urease	urease	ADJ
bjp-84324	212	15	active	active	ADJ
bjp-84324	212	16	site	site	NOUN
bjp-84324	212	17	comprising	comprising	NOUN
bjp-84324	212	18	of	of	ADP
bjp-84324	212	19	residues	residue	NOUN
bjp-84324	212	20	such	such	ADJ
bjp-84324	212	21	as	as	ADP
bjp-84324	212	22	cme592	cme592	NOUN
bjp-84324	212	23	and	and	CCONJ
bjp-84324	212	24	arg439	arg439	PROPN
bjp-84324	212	25	.	.	PUNCT
bjp-84324	213	1	the	the	DET
bjp-84324	213	2	strong	strong	ADJ
bjp-84324	213	3	interactions	interaction	NOUN
bjp-84324	213	4	,	,	PUNCT
bjp-84324	213	5	including	include	VERB
bjp-84324	213	6	hydrogenbonding	hydrogenbonde	VERB
bjp-84324	213	7	,	,	PUNCT
bjp-84324	213	8	π	π	PROPN
bjp-84324	213	9	-	-	PUNCT
bjp-84324	213	10	π	π	ADJ
bjp-84324	213	11	stacking	stacking	NOUN
bjp-84324	213	12	,	,	PUNCT
bjp-84324	213	13	and	and	CCONJ
bjp-84324	213	14	hydrophobic	hydrophobic	NOUN
bjp-84324	213	15	contacts	contact	NOUN
bjp-84324	213	16	.	.	PUNCT
bjp-84324	214	1	enzymes	enzyme	NOUN
bjp-84324	214	2	within	within	ADP
bjp-84324	214	3	the	the	DET
bjp-84324	214	4	amidohydrolase	amidohydrolase	ADJ
bjp-84324	214	5	family	family	NOUN
bjp-84324	214	6	,	,	PUNCT
bjp-84324	214	7	such	such	ADJ
bjp-84324	214	8	as	as	ADP
bjp-84324	214	9	arginase	arginase	NOUN
bjp-84324	214	10	,	,	PUNCT
bjp-84324	214	11	carbonic	carbonic	ADJ
bjp-84324	214	12	anhydrase	anhydrase	NOUN
bjp-84324	214	13	,	,	PUNCT
bjp-84324	214	14	and	and	CCONJ
bjp-84324	214	15	other	other	ADJ
bjp-84324	214	16	metal	metal	NOUN
bjp-84324	214	17	-	-	PUNCT
bjp-84324	214	18	dependent	dependent	ADJ
bjp-84324	214	19	hydrolases	hydrolase	NOUN
bjp-84324	214	20	,	,	PUNCT
bjp-84324	214	21	share	share	VERB
bjp-84324	214	22	same	same	ADJ
bjp-84324	214	23	pockets	pocket	NOUN
bjp-84324	214	24	with	with	ADP
bjp-84324	214	25	metal	metal	NOUN
bjp-84324	214	26	coordination	coordination	NOUN
bjp-84324	214	27	centers	center	NOUN
bjp-84324	214	28	and	and	CCONJ
bjp-84324	214	29	substrate	substrate	NOUN
bjp-84324	214	30	-	-	PUNCT
bjp-84324	214	31	binding	bind	VERB
bjp-84324	214	32	residues	residue	NOUN
bjp-84324	214	33	,	,	PUNCT
bjp-84324	214	34	positioning	positioning	NOUN
bjp-84324	214	35	(	(	PUNCT
bjp-84324	214	36	10a	10a	NUM
bjp-84324	214	37	)	)	PUNCT
bjp-84324	214	38	and	and	CCONJ
bjp-84324	214	39	its	its	PRON
bjp-84324	214	40	derivatives	derivative	NOUN
bjp-84324	214	41	as	as	ADP
bjp-84324	214	42	promising	promise	VERB
bjp-84324	214	43	candidates	candidate	NOUN
bjp-84324	214	44	for	for	ADP
bjp-84324	214	45	broader	broad	ADJ
bjp-84324	214	46	amidohydrolase	amidohydrolase	NOUN
bjp-84324	214	47	inhibition	inhibition	NOUN
bjp-84324	214	48	before	before	ADP
bjp-84324	214	49	further	further	ADJ
bjp-84324	214	50	experimental	experimental	ADJ
bjp-84324	214	51	validation	validation	NOUN
bjp-84324	214	52	.	.	PUNCT
bjp-84324	215	1	a	a	DET
bjp-84324	215	2	deeper	deep	ADJ
bjp-84324	215	3	dynamic	dynamic	ADJ
bjp-84324	215	4	analysis	analysis	NOUN
bjp-84324	215	5	is	be	AUX
bjp-84324	215	6	performed	perform	VERB
bjp-84324	215	7	on	on	ADP
bjp-84324	215	8	two	two	NUM
bjp-84324	215	9	enantiomers	enantiomer	NOUN
bjp-84324	215	10	of	of	ADP
bjp-84324	215	11	(	(	PUNCT
bjp-84324	215	12	10a	10a	NOUN
bjp-84324	215	13	)	)	PUNCT
bjp-84324	215	14	,	,	PUNCT
bjp-84324	215	15	designated	designate	VERB
bjp-84324	215	16	as	as	ADP
bjp-84324	215	17	10a(r	10a(r	NUM
bjp-84324	215	18	)	)	PUNCT
bjp-84324	215	19	and	and	CCONJ
bjp-84324	215	20	10a(s	10a(s	NUM
bjp-84324	215	21	)	)	PUNCT
bjp-84324	215	22	revealed	reveal	VERB
bjp-84324	215	23	that	that	SCONJ
bjp-84324	215	24	both	both	PRON
bjp-84324	215	25	10a	10a	NOUN
bjp-84324	215	26	(	(	PUNCT
bjp-84324	215	27	r	r	NOUN
bjp-84324	215	28	)	)	PUNCT
bjp-84324	215	29	and	and	CCONJ
bjp-84324	215	30	10a(s	10a(s	NUM
bjp-84324	215	31	)	)	PUNCT
bjp-84324	215	32	exhibited	exhibit	VERB
bjp-84324	215	33	comparable	comparable	ADJ
bjp-84324	215	34	interaction	interaction	NOUN
bjp-84324	215	35	stability	stability	NOUN
bjp-84324	215	36	and	and	CCONJ
bjp-84324	215	37	strength	strength	NOUN
bjp-84324	215	38	,	,	PUNCT
bjp-84324	215	39	indicating	indicate	VERB
bjp-84324	215	40	that	that	SCONJ
bjp-84324	215	41	the	the	DET
bjp-84324	215	42	racemic	racemic	ADJ
bjp-84324	215	43	mixture	mixture	NOUN
bjp-84324	215	44	of	of	ADP
bjp-84324	215	45	compound	compound	NOUN
bjp-84324	215	46	(	(	PUNCT
bjp-84324	215	47	10a	10a	NOUN
bjp-84324	215	48	)	)	PUNCT
bjp-84324	215	49	is	be	AUX
bjp-84324	215	50	itself	itself	PRON
bjp-84324	215	51	highly	highly	ADV
bjp-84324	215	52	active	active	ADJ
bjp-84324	215	53	and	and	CCONJ
bjp-84324	215	54	does	do	AUX
bjp-84324	215	55	not	not	PART
bjp-84324	215	56	require	require	VERB
bjp-84324	215	57	chiral	chiral	ADJ
bjp-84324	215	58	resolution	resolution	NOUN
bjp-84324	215	59	,	,	PUNCT
bjp-84324	215	60	making	make	VERB
bjp-84324	215	61	the	the	DET
bjp-84324	215	62	compound	compound	NOUN
bjp-84324	215	63	more	more	ADJ
bjp-84324	215	64	cost	cost	VERB
bjp-84324	215	65	friendly	friendly	ADJ
bjp-84324	215	66	and	and	CCONJ
bjp-84324	215	67	synthetically	synthetically	ADV
bjp-84324	215	68	efficient	efficient	ADJ
bjp-84324	215	69	scaffold	scaffold	NOUN
bjp-84324	215	70	.	.	PUNCT
bjp-84324	216	1	furthermore	furthermore	ADV
bjp-84324	216	2	,	,	PUNCT
bjp-84324	216	3	the	the	DET
bjp-84324	216	4	insights	insight	NOUN
bjp-84324	216	5	gained	gain	VERB
bjp-84324	216	6	from	from	ADP
bjp-84324	216	7	structure	structure	NOUN
bjp-84324	216	8	-	-	PUNCT
bjp-84324	216	9	activity	activity	NOUN
bjp-84324	216	10	relationship	relationship	NOUN
bjp-84324	216	11	analyses	analysis	NOUN
bjp-84324	216	12	revealed	reveal	VERB
bjp-84324	216	13	the	the	DET
bjp-84324	216	14	important	important	ADJ
bjp-84324	216	15	role	role	NOUN
bjp-84324	216	16	of	of	ADP
bjp-84324	216	17	specific	specific	ADJ
bjp-84324	216	18	functional	functional	ADJ
bjp-84324	216	19	groups	group	NOUN
bjp-84324	216	20	such	such	ADJ
bjp-84324	216	21	as	as	ADP
bjp-84324	216	22	cyclic	cyclic	ADJ
bjp-84324	216	23	alkyl	alkyl	NOUN
bjp-84324	216	24	groups	group	NOUN
bjp-84324	216	25	in	in	ADP
bjp-84324	216	26	enhancing	enhance	VERB
bjp-84324	216	27	bioactivity	bioactivity	NOUN
bjp-84324	216	28	.	.	PUNCT
bjp-84324	217	1	these	these	DET
bjp-84324	217	2	groups	group	NOUN
bjp-84324	217	3	significantly	significantly	ADV
bjp-84324	217	4	contribute	contribute	VERB
bjp-84324	217	5	to	to	ADP
bjp-84324	217	6	hydrophobic	hydrophobic	NOUN
bjp-84324	217	7	and	and	CCONJ
bjp-84324	217	8	π	π	NOUN
bjp-84324	217	9	-	-	ADJ
bjp-84324	217	10	stacking	stack	VERB
bjp-84324	217	11	interactions	interaction	NOUN
bjp-84324	217	12	while	while	SCONJ
bjp-84324	217	13	optimized	optimize	VERB
bjp-84324	217	14	hydrogen	hydrogen	NOUN
bjp-84324	217	15	-	-	PUNCT
bjp-84324	217	16	bond	bond	NOUN
bjp-84324	217	17	donors	donor	NOUN
bjp-84324	217	18	/	/	SYM
bjp-84324	217	19	acceptors	acceptor	NOUN
bjp-84324	217	20	further	far	ADV
bjp-84324	217	21	stabilize	stabilize	VERB
bjp-84324	217	22	the	the	DET
bjp-84324	217	23	ligand	ligand	NOUN
bjp-84324	217	24	-	-	PUNCT
bjp-84324	217	25	enzyme	enzyme	NOUN
bjp-84324	217	26	complexes	complex	NOUN
bjp-84324	217	27	.	.	PUNCT
bjp-84324	218	1	the	the	DET
bjp-84324	218	2	superior	superior	ADJ
bjp-84324	218	3	binding	bind	VERB
bjp-84324	218	4	affinity	affinity	NOUN
bjp-84324	218	5	and	and	CCONJ
bjp-84324	218	6	ic50	ic50	PROPN
bjp-84324	218	7	value	value	NOUN
bjp-84324	218	8	of	of	ADP
bjp-84324	218	9	(	(	PUNCT
bjp-84324	218	10	10a	10a	NOUN
bjp-84324	218	11	)	)	PUNCT
bjp-84324	218	12	compared	compare	VERB
bjp-84324	218	13	to	to	ADP
bjp-84324	218	14	thiourea	thiourea	NOUN
bjp-84324	218	15	strongly	strongly	ADV
bjp-84324	218	16	suggest	suggest	VERB
bjp-84324	218	17	that	that	SCONJ
bjp-84324	218	18	its	its	PRON
bjp-84324	218	19	pharmacophore	pharmacophore	NOUN
bjp-84324	218	20	could	could	AUX
bjp-84324	218	21	inhibit	inhibit	VERB
bjp-84324	218	22	other	other	ADJ
bjp-84324	218	23	enzymes	enzyme	NOUN
bjp-84324	218	24	with	with	ADP
bjp-84324	218	25	active	active	ADJ
bjp-84324	218	26	sites	site	NOUN
bjp-84324	218	27	resembling	resemble	VERB
bjp-84324	218	28	the	the	DET
bjp-84324	218	29	cme592	cme592	PROPN
bjp-84324	218	30	-	-	PUNCT
bjp-84324	218	31	arg439	arg439	ADJ
bjp-84324	218	32	pocket	pocket	NOUN
bjp-84324	218	33	in	in	ADP
bjp-84324	218	34	urease	urease	NOUN
bjp-84324	218	35	.	.	PUNCT
bjp-84324	219	1	this	this	PRON
bjp-84324	219	2	highlights	highlight	VERB
bjp-84324	219	3	the	the	DET
bjp-84324	219	4	potential	potential	NOUN
bjp-84324	219	5	for	for	ADP
bjp-84324	219	6	developing	develop	VERB
bjp-84324	219	7	derivatives	derivative	NOUN
bjp-84324	219	8	that	that	PRON
bjp-84324	219	9	target	target	VERB
bjp-84324	219	10	enzymes	enzyme	NOUN
bjp-84324	219	11	implicated	implicate	VERB
bjp-84324	219	12	in	in	ADP
bjp-84324	219	13	metabolic	metabolic	NOUN
bjp-84324	219	14	,	,	PUNCT
bjp-84324	219	15	inflammatory	inflammatory	ADJ
bjp-84324	219	16	,	,	PUNCT
bjp-84324	219	17	and	and	CCONJ
bjp-84324	219	18	microbial	microbial	ADJ
bjp-84324	219	19	pathways	pathway	NOUN
bjp-84324	219	20	.	.	PUNCT
bjp-84324	220	1	beyond	beyond	ADP
bjp-84324	220	2	biological	biological	ADJ
bjp-84324	220	3	activity	activity	NOUN
bjp-84324	220	4	and	and	CCONJ
bjp-84324	220	5	interaction	interaction	NOUN
bjp-84324	220	6	rankings	ranking	NOUN
bjp-84324	220	7	,	,	PUNCT
bjp-84324	220	8	translational	translational	ADJ
bjp-84324	220	9	relevance	relevance	NOUN
bjp-84324	220	10	must	must	AUX
bjp-84324	220	11	also	also	ADV
bjp-84324	220	12	consider	consider	VERB
bjp-84324	220	13	scaffold	scaffold	NOUN
bjp-84324	220	14	economy	economy	NOUN
bjp-84324	220	15	.	.	PUNCT
bjp-84324	221	1	while	while	SCONJ
bjp-84324	221	2	compound	compound	NOUN
bjp-84324	221	3	(	(	PUNCT
bjp-84324	221	4	10a	10a	NOUN
bjp-84324	221	5	)	)	PUNCT
bjp-84324	221	6	is	be	AUX
bjp-84324	221	7	more	more	ADV
bjp-84324	221	8	synthetically	synthetically	ADV
bjp-84324	221	9	complex	complex	ADJ
bjp-84324	221	10	than	than	ADP
bjp-84324	221	11	thiourea	thiourea	NOUN
bjp-84324	221	12	,	,	PUNCT
bjp-84324	221	13	its	its	PRON
bjp-84324	221	14	high	high	ADJ
bjp-84324	221	15	potency	potency	NOUN
bjp-84324	221	16	compared	compare	VERB
bjp-84324	221	17	to	to	ADP
bjp-84324	221	18	thiourea	thiourea	NOUN
bjp-84324	221	19	,	,	PUNCT
bjp-84324	221	20	enhanced	enhance	VERB
bjp-84324	221	21	ligand	ligand	NOUN
bjp-84324	221	22	-	-	PUNCT
bjp-84324	221	23	protein	protein	NOUN
bjp-84324	221	24	interaction	interaction	NOUN
bjp-84324	221	25	profile	profile	NOUN
bjp-84324	221	26	as	as	SCONJ
bjp-84324	221	27	shown	show	VERB
bjp-84324	221	28	through	through	ADP
bjp-84324	221	29	static	static	ADJ
bjp-84324	221	30	docking	docking	NOUN
bjp-84324	221	31	and	and	CCONJ
bjp-84324	221	32	molecular	molecular	ADJ
bjp-84324	221	33	dynamics	dynamic	NOUN
bjp-84324	221	34	,	,	PUNCT
bjp-84324	221	35	and	and	CCONJ
bjp-84324	221	36	its	its	PRON
bjp-84324	221	37	naturally	naturally	ADV
bjp-84324	221	38	abundant	abundant	ADJ
bjp-84324	221	39	triglyceride	triglyceride	ADJ
bjp-84324	221	40	origin	origin	NOUN
bjp-84324	221	41	collectively	collectively	ADV
bjp-84324	221	42	support	support	VERB
bjp-84324	221	43	further	further	ADJ
bjp-84324	221	44	studies	study	NOUN
bjp-84324	221	45	and	and	CCONJ
bjp-84324	221	46	structural	structural	ADJ
bjp-84324	221	47	derivation	derivation	NOUN
bjp-84324	221	48	.	.	PUNCT
bjp-84324	222	1	the	the	DET
bjp-84324	222	2	study	study	NOUN
bjp-84324	222	3	was	be	AUX
bjp-84324	222	4	limited	limit	VERB
bjp-84324	222	5	to	to	ADP
bjp-84324	222	6	the	the	DET
bjp-84324	222	7	in	in	ADV
bjp-84324	222	8	vitro	vitro	X
bjp-84324	222	9	urease	urease	NOUN
bjp-84324	222	10	inhibition	inhibition	NOUN
bjp-84324	222	11	assays	assay	NOUN
bjp-84324	222	12	and	and	CCONJ
bjp-84324	222	13	molecular	molecular	ADJ
bjp-84324	222	14	dynamics	dynamic	NOUN
bjp-84324	222	15	based	base	VERB
bjp-84324	222	16	interaction	interaction	NOUN
bjp-84324	222	17	analysis	analysis	NOUN
bjp-84324	222	18	.	.	PUNCT
bjp-84324	223	1	although	although	SCONJ
bjp-84324	223	2	ic₅₀	ic₅₀	PROPN
bjp-84324	223	3	values	value	NOUN
bjp-84324	223	4	were	be	AUX
bjp-84324	223	5	determined	determine	VERB
bjp-84324	223	6	,	,	PUNCT
bjp-84324	223	7	kinetic	kinetic	ADJ
bjp-84324	223	8	characterization	characterization	NOUN
bjp-84324	223	9	of	of	ADP
bjp-84324	223	10	inhibition	inhibition	NOUN
bjp-84324	223	11	mechanism	mechanism	NOUN
bjp-84324	223	12	e.g.	e.g.	ADV
bjp-84324	223	13	via	via	ADP
bjp-84324	223	14	lineweaver	lineweaver	ADJ
bjp-84324	223	15	–	–	PUNCT
bjp-84324	223	16	burk	burk	PROPN
bjp-84324	223	17	or	or	CCONJ
bjp-84324	223	18	michaelis	michaelis	PROPN
bjp-84324	223	19	–	–	PUNCT
bjp-84324	223	20	menten	menten	NOUN
bjp-84324	223	21	plots	plot	NOUN
bjp-84324	223	22	,	,	PUNCT
bjp-84324	223	23	longer	long	ADV
bjp-84324	223	24	duration	duration	VERB
bjp-84324	223	25	molecular	molecular	ADJ
bjp-84324	223	26	dynamics	dynamic	NOUN
bjp-84324	223	27	simulations	simulation	NOUN
bjp-84324	223	28	,	,	PUNCT
bjp-84324	223	29	and	and	CCONJ
bjp-84324	223	30	in	in	ADP
bjp-84324	223	31	vivo	vivo	ADJ
bjp-84324	223	32	analyses	analysis	NOUN
bjp-84324	223	33	were	be	AUX
bjp-84324	223	34	not	not	PART
bjp-84324	223	35	included	include	VERB
bjp-84324	223	36	within	within	ADP
bjp-84324	223	37	the	the	DET
bjp-84324	223	38	present	present	ADJ
bjp-84324	223	39	scope	scope	NOUN
bjp-84324	223	40	.	.	PUNCT
bjp-84324	224	1	the	the	DET
bjp-84324	224	2	findings	finding	NOUN
bjp-84324	224	3	represent	represent	VERB
bjp-84324	224	4	an	an	DET
bjp-84324	224	5	initial	initial	ADJ
bjp-84324	224	6	experimental	experimental	ADJ
bjp-84324	224	7	and	and	CCONJ
bjp-84324	224	8	computational	computational	ADJ
bjp-84324	224	9	validation	validation	NOUN
bjp-84324	224	10	of	of	ADP
bjp-84324	224	11	the	the	DET
bjp-84324	224	12	racemic	racemic	NOUN
bjp-84324	224	13	triglyceride	triglyceride	ADP
bjp-84324	224	14	scaffold	scaffold	NOUN
bjp-84324	224	15	as	as	ADP
bjp-84324	224	16	a	a	DET
bjp-84324	224	17	urease	urease	NOUN
bjp-84324	224	18	inhibitor	inhibitor	NOUN
bjp-84324	224	19	.	.	PUNCT
bjp-84324	225	1	conclusion	conclusion	NOUN
bjp-84324	225	2	facile	facile	ADJ
bjp-84324	225	3	synthesis	synthesis	NOUN
bjp-84324	225	4	of	of	ADP
bjp-84324	225	5	novel	novel	ADJ
bjp-84324	225	6	benzoic	benzoic	NOUN
bjp-84324	225	7	acid	acid	NOUN
bjp-84324	225	8	triglycerides	triglyceride	NOUN
bjp-84324	225	9	gave	give	VERB
bjp-84324	225	10	lead	lead	NOUN
bjp-84324	225	11	compound	compound	NOUN
bjp-84324	225	12	(	(	PUNCT
bjp-84324	225	13	10a	10a	NOUN
bjp-84324	225	14	)	)	PUNCT
bjp-84324	225	15	that	that	PRON
bjp-84324	225	16	showed	show	VERB
bjp-84324	225	17	potent	potent	ADJ
bjp-84324	225	18	urease	urease	NOUN
bjp-84324	225	19	inhibition	inhibition	NOUN
bjp-84324	225	20	surpassing	surpass	VERB
bjp-84324	225	21	thiourea	thiourea	NOUN
bjp-84324	225	22	.	.	PUNCT
bjp-84324	226	1	advanced	advanced	ADJ
bjp-84324	226	2	molecular	molecular	ADJ
bjp-84324	226	3	dynamics	dynamic	NOUN
bjp-84324	226	4	analyses	analysis	NOUN
bjp-84324	226	5	based	base	VERB
bjp-84324	226	6	scorings	scoring	NOUN
bjp-84324	226	7	revealed	reveal	VERB
bjp-84324	226	8	conserved	conserve	VERB
bjp-84324	226	9	catalytic	catalytic	ADJ
bjp-84324	226	10	pocket	pocket	NOUN
bjp-84324	226	11	interactions	interaction	NOUN
bjp-84324	226	12	and	and	CCONJ
bjp-84324	226	13	comparable	comparable	ADJ
bjp-84324	226	14	activity	activity	NOUN
bjp-84324	226	15	of	of	ADP
bjp-84324	226	16	both	both	DET
bjp-84324	226	17	10a(r	10a(r	NUM
bjp-84324	226	18	)	)	PUNCT
bjp-84324	226	19	and	and	CCONJ
bjp-84324	226	20	10a(s	10a(s	NUM
bjp-84324	226	21	)	)	PUNCT
bjp-84324	226	22	enantiomers	enantiomer	NOUN
bjp-84324	226	23	,	,	PUNCT
bjp-84324	226	24	eliminating	eliminate	VERB
bjp-84324	226	25	the	the	DET
bjp-84324	226	26	need	need	NOUN
bjp-84324	226	27	for	for	ADP
bjp-84324	226	28	chiral	chiral	ADJ
bjp-84324	226	29	resolution	resolution	NOUN
bjp-84324	226	30	.	.	PUNCT
bjp-84324	227	1	these	these	DET
bjp-84324	227	2	findings	finding	NOUN
bjp-84324	227	3	establish	establish	VERB
bjp-84324	227	4	the	the	DET
bjp-84324	227	5	racemic	racemic	ADJ
bjp-84324	227	6	scaffold	scaffold	NOUN
bjp-84324	227	7	as	as	ADP
bjp-84324	227	8	synthetically	synthetically	ADV
bjp-84324	227	9	feasible	feasible	ADJ
bjp-84324	227	10	,	,	PUNCT
bjp-84324	227	11	experimentally	experimentally	ADV
bjp-84324	227	12	and	and	CCONJ
bjp-84324	227	13	computationally	computationally	ADV
bjp-84324	227	14	validated	validate	VERB
bjp-84324	227	15	amidohydrolase	amidohydrolase	ADJ
bjp-84324	227	16	inhibitor	inhibitor	NOUN
bjp-84324	227	17	scaffold	scaffold	NOUN
bjp-84324	227	18	,	,	PUNCT
bjp-84324	227	19	providing	provide	VERB
bjp-84324	227	20	a	a	DET
bjp-84324	227	21	foundation	foundation	NOUN
bjp-84324	227	22	for	for	ADP
bjp-84324	227	23	future	future	ADJ
bjp-84324	227	24	translational	translational	ADJ
bjp-84324	227	25	studies	study	NOUN
bjp-84324	227	26	.	.	PUNCT
bjp-84324	228	1	financial	financial	ADJ
bjp-84324	228	2	support	support	NOUN
bjp-84324	228	3	self	self	NOUN
bjp-84324	228	4	-	-	PUNCT
bjp-84324	228	5	funded	fund	VERB
bjp-84324	228	6	conflict	conflict	NOUN
bjp-84324	228	7	of	of	ADP
bjp-84324	228	8	interest	interest	NOUN
bjp-84324	228	9	authors	author	NOUN
bjp-84324	228	10	declare	declare	VERB
bjp-84324	228	11	no	no	DET
bjp-84324	228	12	conflict	conflict	NOUN
bjp-84324	228	13	of	of	ADP
bjp-84324	228	14	interest	interest	NOUN
bjp-84324	228	15	acknowledgement	acknowledgement	NOUN
bjp-84324	228	16	school	school	NOUN
bjp-84324	228	17	of	of	ADP
bjp-84324	228	18	interdisciplinary	interdisciplinary	ADJ
bjp-84324	228	19	engineering	engineering	NOUN
bjp-84324	228	20	and	and	CCONJ
bjp-84324	228	21	sciences	science	NOUN
bjp-84324	228	22	)	)	PUNCT
bjp-84324	228	23	,	,	PUNCT
bjp-84324	228	24	national	national	PROPN
bjp-84324	228	25	university	university	PROPN
bjp-84324	228	26	of	of	ADP
bjp-84324	228	27	sciences	science	NOUN
bjp-84324	228	28	and	and	CCONJ
bjp-84324	228	29	technology	technology	NOUN
bjp-84324	228	30	,	,	PUNCT
bjp-84324	228	31	pakistan	pakistan	PROPN
bjp-84324	228	32	,	,	PUNCT
bjp-84324	228	33	provided	provide	VERB
bjp-84324	228	34	the	the	DET
bjp-84324	228	35	148	148	NUM
bjp-84324	228	36	bangladesh	bangladesh	NOUN
bjp-84324	228	37	j	j	PROPN
bjp-84324	228	38	pharmacol	pharmacol	PROPN
bjp-84324	228	39	2025	2025	NUM
bjp-84324	228	40	;	;	PUNCT
bjp-84324	228	41	20	20	NUM
bjp-84324	228	42	:	:	SYM
bjp-84324	228	43	140	140	NUM
bjp-84324	228	44	-	-	SYM
bjp-84324	228	45	149	149	NUM
bjp-84324	228	46	author	author	NOUN
bjp-84324	228	47	info	info	NOUN
bjp-84324	228	48	hamdullah	hamdullah	PROPN
bjp-84324	228	49	khadim	khadim	PROPN
bjp-84324	228	50	sheikh	sheikh	NOUN
bjp-84324	228	51	(	(	PUNCT
bjp-84324	228	52	principal	principal	ADJ
bjp-84324	228	53	contact	contact	NOUN
bjp-84324	228	54	)	)	PUNCT
bjp-84324	228	55	e	e	NOUN
bjp-84324	228	56	-	-	NOUN
bjp-84324	228	57	mail	mail	NOUN
bjp-84324	228	58	:	:	PUNCT
bjp-84324	228	59	hamdullah.khadim.sheikh@gmail.com	hamdullah.khadim.sheikh@gmail.com	X
bjp-84324	228	60	supercomputing	supercomputing	NOUN
bjp-84324	228	61	facilities	facility	NOUN
bjp-84324	228	62	and	and	CCONJ
bjp-84324	228	63	access	access	NOUN
bjp-84324	228	64	to	to	ADP
bjp-84324	228	65	gromacs	gromacs	ADJ
bjp-84324	228	66	software	software	NOUN
bjp-84324	228	67	for	for	ADP
bjp-84324	228	68	molecular	molecular	ADJ
bjp-84324	228	69	dynamics	dynamic	NOUN
bjp-84324	228	70	based	base	VERB
bjp-84324	228	71	scoring	scoring	NOUN
bjp-84324	228	72	calculation	calculation	NOUN
bjp-84324	228	73	references	reference	NOUN
bjp-84324	228	74	arshad	arshad	PROPN
bjp-84324	228	75	t	t	PROPN
bjp-84324	228	76	,	,	PUNCT
bjp-84324	228	77	sheikh	sheikh	PROPN
bjp-84324	228	78	hk	hk	PROPN
bjp-84324	228	79	,	,	PUNCT
bjp-84324	228	80	kazmi	kazmi	PROPN
bjp-84324	228	81	mh	mh	PROPN
bjp-84324	228	82	,	,	PUNCT
bjp-84324	228	83	farheen	farheen	PROPN
bjp-84324	228	84	s	s	PROPN
bjp-84324	228	85	,	,	PUNCT
bjp-84324	228	86	sohail	sohail	PROPN
bjp-84324	228	87	t	t	PROPN
bjp-84324	228	88	,	,	PUNCT
bjp-84324	228	89	lateef	lateef	PROPN
bjp-84324	228	90	m.	m.	PROPN
bjp-84324	228	91	new	new	PROPN
bjp-84324	228	92	bioactive	bioactive	PROPN
bjp-84324	228	93	triaryl	triaryl	PROPN
bjp-84324	228	94	triglyceride	triglyceride	ADP
bjp-84324	228	95	esters	ester	NOUN
bjp-84324	228	96	:	:	PUNCT
bjp-84324	228	97	synthesis	synthesis	NOUN
bjp-84324	228	98	,	,	PUNCT
bjp-84324	228	99	characterization	characterization	NOUN
bjp-84324	228	100	,	,	PUNCT
bjp-84324	228	101	and	and	CCONJ
bjp-84324	228	102	biological	biological	ADJ
bjp-84324	228	103	activities	activity	NOUN
bjp-84324	228	104	.	.	PUNCT
bjp-84324	229	1	bangladesh	bangladesh	PROPN
bjp-84324	229	2	j	j	PROPN
bjp-84324	229	3	pharmacol	pharmacol	PROPN
bjp-84324	229	4	.	.	PROPN
bjp-84324	230	1	2018	2018	NUM
bjp-84324	230	2	;	;	PUNCT
bjp-84324	230	3	13	13	NUM
bjp-84324	230	4	:	:	SYM
bjp-84324	230	5	302	302	NUM
bjp-84324	230	6	-	-	SYM
bjp-84324	230	7	08	08	NUM
bjp-84324	230	8	.	.	PUNCT
bjp-84324	231	1	benini	benini	PROPN
bjp-84324	231	2	s	s	PROPN
bjp-84324	231	3	,	,	PUNCT
bjp-84324	231	4	rypniewski	rypniewski	PROPN
bjp-84324	231	5	w	w	PROPN
bjp-84324	231	6	,	,	PUNCT
bjp-84324	231	7	wilson	wilson	PROPN
bjp-84324	231	8	k	k	PROPN
bjp-84324	231	9	,	,	PUNCT
bjp-84324	231	10	ciurli	ciurli	PROPN
bjp-84324	231	11	s	s	PROPN
bjp-84324	231	12	,	,	PUNCT
bjp-84324	231	13	mangani	mangani	PROPN
bjp-84324	231	14	s.	s.	PROPN
bjp-84324	231	15	the	the	DET
bjp-84324	231	16	complex	complex	NOUN
bjp-84324	231	17	of	of	ADP
bjp-84324	231	18	bacillus	bacillus	NOUN
bjp-84324	231	19	pasteurii	pasteurii	NOUN
bjp-84324	231	20	urease	urease	VERB
bjp-84324	231	21	with	with	ADP
bjp-84324	231	22	β	β	NOUN
bjp-84324	231	23	-	-	NOUN
bjp-84324	231	24	mercaptoethanol	mercaptoethanol	NOUN
bjp-84324	231	25	from	from	ADP
bjp-84324	231	26	x	x	ADJ
bjp-84324	231	27	-	-	NOUN
bjp-84324	231	28	ray	ray	NOUN
bjp-84324	231	29	data	datum	NOUN
bjp-84324	231	30	at	at	ADP
bjp-84324	231	31	1.65	1.65	NUM
bjp-84324	231	32	å	å	PROPN
bjp-84324	231	33	resolution	resolution	NOUN
bjp-84324	231	34	.	.	PUNCT
bjp-84324	232	1	j	j	PROPN
bjp-84324	232	2	biol	biol	PROPN
bjp-84324	232	3	inorg	inorg	PROPN
bjp-84324	232	4	chem	chem	NOUN
bjp-84324	232	5	.	.	PUNCT
bjp-84324	233	1	1998	1998	NUM
bjp-84324	233	2	;	;	PUNCT
bjp-84324	233	3	3	3	NUM
bjp-84324	233	4	:	:	SYM
bjp-84324	233	5	268	268	NUM
bjp-84324	233	6	-	-	SYM
bjp-84324	233	7	73	73	NUM
bjp-84324	233	8	.	.	PUNCT
bjp-84324	234	1	chen	chen	PROPN
bjp-84324	234	2	j	j	PROPN
bjp-84324	234	3	,	,	PUNCT
bjp-84324	234	4	cho	cho	PROPN
bjp-84324	234	5	j	j	PROPN
bjp-84324	234	6	,	,	PUNCT
bjp-84324	234	7	hwang	hwang	PROPN
bjp-84324	234	8	t	t	PROPN
bjp-84324	234	9	,	,	PUNCT
bjp-84324	234	10	chen	chen	PROPN
bjp-84324	234	11	i.	i.	PROPN
bjp-84324	234	12	benzoic	benzoic	PROPN
bjp-84324	234	13	acid	acid	NOUN
bjp-84324	234	14	derivatives	derivative	NOUN
bjp-84324	234	15	,	,	PUNCT
bjp-84324	234	16	acetophenones	acetophenone	NOUN
bjp-84324	234	17	,	,	PUNCT
bjp-84324	234	18	and	and	CCONJ
bjp-84324	234	19	anti	anti	ADJ
bjp-84324	234	20	-	-	ADJ
bjp-84324	234	21	inflammatory	inflammatory	ADJ
bjp-84324	234	22	constituents	constituent	NOUN
bjp-84324	234	23	from	from	ADP
bjp-84324	234	24	melicope	melicope	PROPN
bjp-84324	234	25	semecarpifolia	semecarpifolia	PROPN
bjp-84324	234	26	.	.	PUNCT
bjp-84324	235	1	planta	planta	PROPN
bjp-84324	235	2	med	med	PROPN
bjp-84324	235	3	.	.	PUNCT
bjp-84324	235	4	2008	2008	NUM
bjp-84324	235	5	;	;	PUNCT
bjp-84324	236	1	74	74	NUM
bjp-84324	236	2	:	:	SYM
bjp-84324	236	3	1156	1156	NUM
bjp-84324	236	4	-	-	SYM
bjp-84324	236	5	60	60	NUM
bjp-84324	236	6	.	.	PUNCT
bjp-84324	237	1	escorsim	escorsim	PROPN
bjp-84324	237	2	am	am	PROPN
bjp-84324	237	3	,	,	PUNCT
bjp-84324	237	4	hamerski	hamerski	PROPN
bjp-84324	237	5	f	f	X
bjp-84324	237	6	,	,	PUNCT
bjp-84324	237	7	ramos	ramos	PROPN
bjp-84324	237	8	lp	lp	PROPN
bjp-84324	237	9	,	,	PUNCT
bjp-84324	237	10	corazza	corazza	NOUN
bjp-84324	237	11	ml	ml	PROPN
bjp-84324	237	12	,	,	PUNCT
bjp-84324	237	13	cordeiro	cordeiro	PROPN
bjp-84324	237	14	cs	cs	PROPN
bjp-84324	237	15	.	.	PROPN
bjp-84324	237	16	multifunctionality	multifunctionality	PROPN
bjp-84324	237	17	of	of	ADP
bjp-84324	237	18	zinc	zinc	NOUN
bjp-84324	237	19	carboxylate	carboxylate	NOUN
bjp-84324	237	20	to	to	PART
bjp-84324	237	21	produce	produce	VERB
bjp-84324	237	22	acylglycerols	acylglycerol	NOUN
bjp-84324	237	23	,	,	PUNCT
bjp-84324	237	24	free	free	ADJ
bjp-84324	237	25	fatty	fatty	NOUN
bjp-84324	237	26	acids	acid	NOUN
bjp-84324	237	27	and	and	CCONJ
bjp-84324	237	28	fatty	fatty	NOUN
bjp-84324	237	29	acid	acid	NOUN
bjp-84324	237	30	methyl	methyl	NOUN
bjp-84324	237	31	esters	ester	NOUN
bjp-84324	237	32	.	.	PUNCT
bjp-84324	238	1	fuel	fuel	NOUN
bjp-84324	238	2	.	.	PUNCT
bjp-84324	239	1	2019	2019	NUM
bjp-84324	239	2	;	;	PUNCT
bjp-84324	239	3	244	244	NUM
bjp-84324	239	4	:	:	PUNCT
bjp-84324	240	1	569	569	NUM
bjp-84324	240	2	-	-	SYM
bjp-84324	240	3	79	79	NUM
bjp-84324	240	4	.	.	PUNCT
bjp-84324	241	1	font	font	PROPN
bjp-84324	241	2	ma	ma	PROPN
bjp-84324	241	3	,	,	PUNCT
bjp-84324	241	4	domínguez	domínguez	PROPN
bjp-84324	241	5	maj	maj	PROPN
bjp-84324	241	6	,	,	PUNCT
bjp-84324	241	7	sanmartín	sanmartín	PROPN
bjp-84324	241	8	c	c	PROPN
bjp-84324	241	9	,	,	PUNCT
bjp-84324	241	10	palop	palop	PROPN
bjp-84324	241	11	ja	ja	PROPN
bjp-84324	241	12	,	,	PUNCT
bjp-84324	241	13	sanfrancisco	sanfrancisco	PROPN
bjp-84324	241	14	s	s	PROPN
bjp-84324	241	15	,	,	PUNCT
bjp-84324	241	16	urrutia	urrutia	PROPN
bjp-84324	241	17	o	o	NOUN
bjp-84324	241	18	,	,	PUNCT
bjp-84324	241	19	houdusse	houdusse	NOUN
bjp-84324	241	20	f	f	PROPN
bjp-84324	241	21	,	,	PUNCT
bjp-84324	241	22	garcia	garcia	PROPN
bjp-84324	241	23	-	-	PUNCT
bjp-84324	241	24	mina	mina	PROPN
bjp-84324	241	25	jm	jm	PROPN
bjp-84324	241	26	.	.	PROPN
bjp-84324	241	27	structural	structural	ADJ
bjp-84324	241	28	characteristics	characteristic	NOUN
bjp-84324	241	29	of	of	ADP
bjp-84324	241	30	phosphoramide	phosphoramide	ADJ
bjp-84324	241	31	derivatives	derivative	NOUN
bjp-84324	241	32	as	as	ADP
bjp-84324	241	33	urease	urease	VERB
bjp-84324	241	34	inhibitors	inhibitor	NOUN
bjp-84324	241	35	:	:	PUNCT
bjp-84324	242	1	requirements	requirement	NOUN
bjp-84324	242	2	for	for	ADP
bjp-84324	242	3	activity	activity	NOUN
bjp-84324	242	4	.	.	PUNCT
bjp-84324	243	1	j	j	PROPN
bjp-84324	243	2	agric	agric	PROPN
bjp-84324	243	3	food	food	PROPN
bjp-84324	243	4	chem	chem	NOUN
bjp-84324	243	5	.	.	PUNCT
bjp-84324	244	1	2008	2008	NUM
bjp-84324	244	2	;	;	PUNCT
bjp-84324	244	3	56	56	NUM
bjp-84324	244	4	:	:	SYM
bjp-84324	244	5	8451	8451	NUM
bjp-84324	244	6	-	-	SYM
bjp-84324	244	7	60	60	NUM
bjp-84324	244	8	.	.	PUNCT
bjp-84324	245	1	gaillard	gaillard	PROPN
bjp-84324	245	2	t.	t.	PROPN
bjp-84324	245	3	evaluation	evaluation	NOUN
bjp-84324	245	4	of	of	ADP
bjp-84324	245	5	autodock	autodock	NOUN
bjp-84324	245	6	and	and	CCONJ
bjp-84324	245	7	autodock	autodock	NOUN
bjp-84324	245	8	vina	vina	NOUN
bjp-84324	245	9	on	on	ADP
bjp-84324	245	10	the	the	DET
bjp-84324	245	11	casf-2013	casf-2013	ADJ
bjp-84324	245	12	benchmark	benchmark	NOUN
bjp-84324	245	13	.	.	PUNCT
bjp-84324	246	1	j	j	PROPN
bjp-84324	246	2	chem	chem	PROPN
bjp-84324	246	3	inf	inf	PROPN
bjp-84324	246	4	model	model	NOUN
bjp-84324	246	5	.	.	PUNCT
bjp-84324	247	1	2018	2018	NUM
bjp-84324	247	2	;	;	PUNCT
bjp-84324	247	3	58	58	NUM
bjp-84324	247	4	:	:	SYM
bjp-84324	247	5	1697706	1697706	NUM
bjp-84324	247	6	.	.	PUNCT
bjp-84324	248	1	grzywa	grzywa	PROPN
bjp-84324	248	2	tm	tm	PROPN
bjp-84324	248	3	,	,	PUNCT
bjp-84324	248	4	sosnowska	sosnowska	VERB
bjp-84324	248	5	a	a	NOUN
bjp-84324	248	6	,	,	PUNCT
bjp-84324	248	7	matryba	matryba	NOUN
bjp-84324	248	8	p	p	NOUN
bjp-84324	248	9	,	,	PUNCT
bjp-84324	248	10	rydzynska	rydzynska	PROPN
bjp-84324	248	11	z	z	PROPN
bjp-84324	248	12	,	,	PUNCT
bjp-84324	248	13	jasinski	jasinski	PROPN
bjp-84324	248	14	m	m	PROPN
bjp-84324	248	15	,	,	PUNCT
bjp-84324	248	16	nowis	nowis	NOUN
bjp-84324	248	17	d	d	NOUN
bjp-84324	248	18	,	,	PUNCT
bjp-84324	248	19	golab	golab	PROPN
bjp-84324	248	20	j.	j.	PROPN
bjp-84324	248	21	myeloid	myeloid	PROPN
bjp-84324	248	22	cell	cell	NOUN
bjp-84324	248	23	-	-	PUNCT
bjp-84324	248	24	derived	derive	VERB
bjp-84324	248	25	arginase	arginase	NOUN
bjp-84324	248	26	in	in	ADP
bjp-84324	248	27	cancer	cancer	NOUN
bjp-84324	248	28	immune	immune	ADJ
bjp-84324	248	29	response	response	NOUN
bjp-84324	248	30	.	.	PUNCT
bjp-84324	249	1	front	front	ADJ
bjp-84324	249	2	immunol	immunol	NOUN
bjp-84324	249	3	.	.	PUNCT
bjp-84324	250	1	2020	2020	NUM
bjp-84324	250	2	;	;	PUNCT
bjp-84324	250	3	11	11	NUM
bjp-84324	250	4	:	:	SYM
bjp-84324	250	5	938	938	NUM
bjp-84324	250	6	.	.	PUNCT
bjp-84324	251	1	güzel	güzel	PROPN
bjp-84324	251	2	-	-	PUNCT
bjp-84324	251	3	akdemir	akdemir	PROPN
bjp-84324	251	4	o	o	PROPN
bjp-84324	251	5	,	,	PUNCT
bjp-84324	251	6	akdemir	akdemir	PROPN
bjp-84324	251	7	a.	a.	NOUN
bjp-84324	251	8	urease	urease	VERB
bjp-84324	251	9	inhibitors	inhibitor	NOUN
bjp-84324	251	10	for	for	ADP
bjp-84324	251	11	the	the	DET
bjp-84324	251	12	treatment	treatment	NOUN
bjp-84324	251	13	of	of	ADP
bjp-84324	251	14	h.	h.	PROPN
bjp-84324	251	15	pylori	pylori	NOUN
bjp-84324	251	16	.	.	PUNCT
bjp-84324	252	1	expert	expert	NOUN
bjp-84324	252	2	opin	opin	NOUN
bjp-84324	252	3	ther	ther	ADV
bjp-84324	253	1	pat	pat	PROPN
bjp-84324	253	2	.	.	PROPN
bjp-84324	253	3	2025	2025	NUM
bjp-84324	253	4	;	;	PUNCT
bjp-84324	253	5	35	35	NUM
bjp-84324	253	6	:	:	SYM
bjp-84324	253	7	17	17	NUM
bjp-84324	253	8	-	-	SYM
bjp-84324	253	9	30	30	NUM
bjp-84324	253	10	.	.	PUNCT
bjp-84324	254	1	han	han	PROPN
bjp-84324	254	2	s	s	PROPN
bjp-84324	254	3	,	,	PUNCT
bjp-84324	254	4	kwak	kwak	PROPN
bjp-84324	254	5	iy	iy	PROPN
bjp-84324	254	6	.	.	PUNCT
bjp-84324	255	1	mastering	master	VERB
bjp-84324	255	2	data	datum	NOUN
bjp-84324	255	3	visualization	visualization	NOUN
bjp-84324	255	4	with	with	ADP
bjp-84324	255	5	python	python	NOUN
bjp-84324	255	6	:	:	PUNCT
bjp-84324	255	7	practical	practical	ADJ
bjp-84324	255	8	tips	tip	NOUN
bjp-84324	255	9	for	for	ADP
bjp-84324	255	10	researchers	researcher	NOUN
bjp-84324	255	11	.	.	PUNCT
bjp-84324	256	1	j	j	PROPN
bjp-84324	256	2	minim	minim	PROPN
bjp-84324	256	3	invasive	invasive	ADJ
bjp-84324	256	4	surg	surg	NOUN
bjp-84324	256	5	.	.	PUNCT
bjp-84324	257	1	2023	2023	NUM
bjp-84324	257	2	;	;	PUNCT
bjp-84324	257	3	26	26	NUM
bjp-84324	257	4	:	:	SYM
bjp-84324	257	5	167	167	NUM
bjp-84324	257	6	.	.	PUNCT
bjp-84324	258	1	hooi	hooi	PROPN
bjp-84324	258	2	jk	jk	PROPN
bjp-84324	258	3	,	,	PUNCT
bjp-84324	258	4	lai	lai	PROPN
bjp-84324	258	5	wy	wy	PROPN
bjp-84324	258	6	,	,	PUNCT
bjp-84324	258	7	ng	ng	PROPN
bjp-84324	258	8	wk	wk	PROPN
bjp-84324	258	9	,	,	PUNCT
bjp-84324	258	10	suen	suen	PROPN
bjp-84324	258	11	mm	mm	PROPN
bjp-84324	258	12	,	,	PUNCT
bjp-84324	258	13	underwood	underwood	PROPN
bjp-84324	258	14	fe	fe	PROPN
bjp-84324	258	15	,	,	PUNCT
bjp-84324	258	16	tanyingoh	tanyingoh	PROPN
bjp-84324	258	17	d	d	PROPN
bjp-84324	258	18	and	and	CCONJ
bjp-84324	258	19	ng	ng	PROPN
bjp-84324	258	20	sc	sc	PROPN
bjp-84324	258	21	.	.	PUNCT
bjp-84324	259	1	global	global	ADJ
bjp-84324	259	2	prevalence	prevalence	NOUN
bjp-84324	259	3	of	of	ADP
bjp-84324	259	4	helicobacter	helicobacter	NOUN
bjp-84324	259	5	pylori	pylori	ADJ
bjp-84324	259	6	infection	infection	NOUN
bjp-84324	259	7	:	:	PUNCT
bjp-84324	259	8	systematic	systematic	ADJ
bjp-84324	259	9	review	review	NOUN
bjp-84324	259	10	and	and	CCONJ
bjp-84324	259	11	meta	meta	ADJ
bjp-84324	259	12	-	-	PUNCT
bjp-84324	259	13	analysis	analysis	NOUN
bjp-84324	259	14	.	.	PUNCT
bjp-84324	260	1	gastroenterology	gastroenterology	NOUN
bjp-84324	260	2	2017	2017	NUM
bjp-84324	260	3	;	;	PUNCT
bjp-84324	260	4	153	153	NUM
bjp-84324	260	5	:	:	SYM
bjp-84324	260	6	420	420	NUM
bjp-84324	260	7	-	-	SYM
bjp-84324	260	8	29	29	NUM
bjp-84324	260	9	.	.	PUNCT
bjp-84324	261	1	jolliffe	jolliffe	VERB
bjp-84324	261	2	it	it	PRON
bjp-84324	261	3	,	,	PUNCT
bjp-84324	261	4	cadima	cadima	PROPN
bjp-84324	261	5	j.	j.	PROPN
bjp-84324	261	6	principal	principal	PROPN
bjp-84324	261	7	component	component	NOUN
bjp-84324	261	8	analysis	analysis	NOUN
bjp-84324	261	9	:	:	PUNCT
bjp-84324	261	10	a	a	DET
bjp-84324	261	11	review	review	NOUN
bjp-84324	261	12	and	and	CCONJ
bjp-84324	261	13	recent	recent	ADJ
bjp-84324	261	14	developments	development	NOUN
bjp-84324	261	15	.	.	PUNCT
bjp-84324	262	1	philos	philos	PROPN
bjp-84324	262	2	trans	trans	PROPN
bjp-84324	263	1	a	a	DET
bjp-84324	263	2	math	math	NOUN
bjp-84324	263	3	phys	phy	NOUN
bjp-84324	263	4	eng	eng	PROPN
bjp-84324	263	5	sci	sci	PROPN
bjp-84324	263	6	.	.	PROPN
bjp-84324	263	7	2016	2016	NUM
bjp-84324	263	8	;	;	PUNCT
bjp-84324	263	9	374	374	NUM
bjp-84324	263	10	:	:	PUNCT
bjp-84324	263	11	20150202	20150202	NUM
bjp-84324	263	12	.	.	PUNCT
bjp-84324	264	1	jonathan	jonathan	PROPN
bjp-84324	264	2	ec	ec	PROPN
bjp-84324	264	3	,	,	PUNCT
bjp-84324	264	4	conrad	conrad	PROPN
bjp-84324	264	5	ch	ch	PROPN
bjp-84324	264	6	,	,	PUNCT
bjp-84324	264	7	thomas	thomas	PROPN
bjp-84324	264	8	ef	ef	PROPN
bjp-84324	264	9	.	.	PROPN
bjp-84324	264	10	rrdistmaps	rrdistmap	NOUN
bjp-84324	264	11	:	:	PUNCT
bjp-84324	264	12	a	a	DET
bjp-84324	264	13	ucsf	ucsf	ADJ
bjp-84324	264	14	chimera	chimera	NOUN
bjp-84324	264	15	tool	tool	NOUN
bjp-84324	264	16	for	for	ADP
bjp-84324	264	17	viewing	view	VERB
bjp-84324	264	18	and	and	CCONJ
bjp-84324	264	19	comparing	compare	VERB
bjp-84324	264	20	protein	protein	NOUN
bjp-84324	264	21	distance	distance	NOUN
bjp-84324	264	22	maps	map	NOUN
bjp-84324	264	23	.	.	PUNCT
bjp-84324	265	1	bioinformatics	bioinformatic	NOUN
bjp-84324	265	2	2015	2015	NUM
bjp-84324	265	3	;	;	PUNCT
bjp-84324	265	4	31	31	NUM
bjp-84324	265	5	:	:	SYM
bjp-84324	265	6	1484	1484	NUM
bjp-84324	265	7	-	-	SYM
bjp-84324	265	8	86	86	NUM
bjp-84324	265	9	.	.	PUNCT
bjp-84324	266	1	krajewska	krajewska	PROPN
bjp-84324	266	2	b	b	PROPN
bjp-84324	266	3	,	,	PUNCT
bjp-84324	266	4	zaborska	zaborska	PROPN
bjp-84324	266	5	w	w	PROPN
bjp-84324	266	6	,	,	PUNCT
bjp-84324	266	7	chudy	chudy	PROPN
bjp-84324	266	8	m.	m.	NOUN
bjp-84324	266	9	multi	multi	ADJ
bjp-84324	266	10	-	-	ADJ
bjp-84324	266	11	step	step	NOUN
bjp-84324	266	12	analysis	analysis	NOUN
bjp-84324	266	13	of	of	ADP
bjp-84324	266	14	hg²⁺	hg²⁺	ADJ
bjp-84324	266	15	ion	ion	NOUN
bjp-84324	266	16	inhibition	inhibition	NOUN
bjp-84324	266	17	of	of	ADP
bjp-84324	266	18	jack	jack	NOUN
bjp-84324	266	19	bean	bean	PROPN
bjp-84324	266	20	urease	urease	VERB
bjp-84324	266	21	.	.	PUNCT
bjp-84324	267	1	j	j	PROPN
bjp-84324	267	2	inorg	inorg	PROPN
bjp-84324	267	3	biochem	biochem	PROPN
bjp-84324	267	4	.	.	PUNCT
bjp-84324	268	1	2004	2004	NUM
bjp-84324	268	2	;	;	PUNCT
bjp-84324	268	3	98	98	NUM
bjp-84324	268	4	:	:	SYM
bjp-84324	268	5	1160	1160	NUM
bjp-84324	268	6	-	-	SYM
bjp-84324	268	7	68	68	NUM
bjp-84324	268	8	.	.	PUNCT
bjp-84324	269	1	lemkul	lemkul	PROPN
bjp-84324	269	2	ja	ja	PROPN
bjp-84324	269	3	.	.	PROPN
bjp-84324	270	1	from	from	ADP
bjp-84324	270	2	proteins	protein	NOUN
bjp-84324	270	3	to	to	PART
bjp-84324	270	4	perturbed	perturb	VERB
bjp-84324	270	5	hamiltonians	hamiltonian	NOUN
bjp-84324	270	6	:	:	PUNCT
bjp-84324	270	7	a	a	DET
bjp-84324	270	8	suite	suite	NOUN
bjp-84324	270	9	of	of	ADP
bjp-84324	270	10	tutorials	tutorial	NOUN
bjp-84324	270	11	for	for	ADP
bjp-84324	270	12	the	the	DET
bjp-84324	270	13	gromacs-2018	gromacs-2018	NOUN
bjp-84324	270	14	molecular	molecular	ADJ
bjp-84324	270	15	simulation	simulation	NOUN
bjp-84324	270	16	package	package	NOUN
bjp-84324	270	17	.	.	PUNCT
bjp-84324	271	1	living	live	VERB
bjp-84324	271	2	j	j	PROPN
bjp-84324	271	3	comput	comput	NOUN
bjp-84324	271	4	mol	mol	ADP
bjp-84324	271	5	sci	sci	PROPN
bjp-84324	271	6	.	.	PROPN
bjp-84324	271	7	2019	2019	NUM
bjp-84324	271	8	;	;	PUNCT
bjp-84324	271	9	1	1	NUM
bjp-84324	271	10	:	:	SYM
bjp-84324	271	11	5068	5068	NUM
bjp-84324	271	12	.	.	PUNCT
bjp-84324	272	1	macomber	macomber	PROPN
bjp-84324	272	2	l	l	PROPN
bjp-84324	272	3	,	,	PUNCT
bjp-84324	272	4	minkara	minkara	PROPN
bjp-84324	272	5	ms	ms	NOUN
bjp-84324	272	6	,	,	PUNCT
bjp-84324	272	7	hausinger	hausinger	NOUN
bjp-84324	272	8	rp	rp	NOUN
bjp-84324	272	9	,	,	PUNCT
bjp-84324	272	10	merz	merz	PROPN
bjp-84324	272	11	km	km	PROPN
bjp-84324	272	12	jr	jr	PROPN
bjp-84324	272	13	.	.	PROPN
bjp-84324	272	14	reduction	reduction	NOUN
bjp-84324	272	15	of	of	ADP
bjp-84324	272	16	urease	urease	ADJ
bjp-84324	272	17	activity	activity	NOUN
bjp-84324	272	18	by	by	ADP
bjp-84324	272	19	interaction	interaction	NOUN
bjp-84324	272	20	with	with	ADP
bjp-84324	272	21	the	the	DET
bjp-84324	272	22	flap	flap	NOUN
bjp-84324	272	23	covering	cover	VERB
bjp-84324	272	24	the	the	DET
bjp-84324	272	25	active	active	ADJ
bjp-84324	272	26	site	site	NOUN
bjp-84324	272	27	.	.	PUNCT
bjp-84324	273	1	j	j	PROPN
bjp-84324	273	2	chem	chem	PROPN
bjp-84324	273	3	inf	inf	PROPN
bjp-84324	273	4	model	model	NOUN
bjp-84324	273	5	.	.	PUNCT
bjp-84324	274	1	2015	2015	NUM
bjp-84324	274	2	;	;	PUNCT
bjp-84324	274	3	55	55	NUM
bjp-84324	274	4	:	:	PUNCT
bjp-84324	274	5	354	354	NUM
bjp-84324	274	6	-	-	SYM
bjp-84324	274	7	61	61	NUM
bjp-84324	274	8	.	.	PUNCT
bjp-84324	274	9	mazzei	mazzei	PROPN
bjp-84324	274	10	l	l	NOUN
bjp-84324	274	11	,	,	PUNCT
bjp-84324	274	12	cianci	cianci	PROPN
bjp-84324	274	13	m	m	PROPN
bjp-84324	274	14	,	,	PUNCT
bjp-84324	274	15	musiani	musiani	PROPN
bjp-84324	274	16	f	f	PROPN
bjp-84324	274	17	,	,	PUNCT
bjp-84324	274	18	ciurli	ciurli	PROPN
bjp-84324	274	19	s.	s.	PROPN
bjp-84324	274	20	inactivation	inactivation	NOUN
bjp-84324	274	21	of	of	ADP
bjp-84324	274	22	urease	urease	NOUN
bjp-84324	274	23	by	by	ADP
bjp-84324	274	24	1,4	1,4	NOUN
bjp-84324	274	25	-	-	NOUN
bjp-84324	274	26	benzoquinone	benzoquinone	NOUN
bjp-84324	274	27	:	:	PUNCT
bjp-84324	274	28	chemistry	chemistry	NOUN
bjp-84324	274	29	at	at	ADP
bjp-84324	274	30	the	the	DET
bjp-84324	274	31	protein	protein	NOUN
bjp-84324	274	32	surface	surface	NOUN
bjp-84324	274	33	.	.	PUNCT
bjp-84324	275	1	dalton	dalton	PROPN
bjp-84324	275	2	trans	trans	PROPN
bjp-84324	275	3	.	.	PROPN
bjp-84324	276	1	2016	2016	NUM
bjp-84324	276	2	;	;	PUNCT
bjp-84324	276	3	45	45	NUM
bjp-84324	276	4	:	:	SYM
bjp-84324	276	5	5455	5455	NUM
bjp-84324	276	6	-	-	SYM
bjp-84324	276	7	59	59	NUM
bjp-84324	276	8	.	.	PUNCT
bjp-84324	277	1	ramachandran	ramachandran	PROPN
bjp-84324	277	2	gn	gn	PROPN
bjp-84324	277	3	,	,	PUNCT
bjp-84324	277	4	ramakrishnan	ramakrishnan	PROPN
bjp-84324	277	5	c	c	PROPN
bjp-84324	277	6	,	,	PUNCT
bjp-84324	277	7	sasisekharan	sasisekharan	VERB
bjp-84324	277	8	v.	v.	ADP
bjp-84324	277	9	stereochemistry	stereochemistry	NOUN
bjp-84324	277	10	of	of	ADP
bjp-84324	277	11	polypeptide	polypeptide	ADJ
bjp-84324	277	12	chain	chain	NOUN
bjp-84324	277	13	configurations	configuration	NOUN
bjp-84324	277	14	.	.	PUNCT
bjp-84324	278	1	j	j	PROPN
bjp-84324	278	2	mol	mol	PROPN
bjp-84324	278	3	biol	biol	PROPN
bjp-84324	278	4	.	.	PUNCT
bjp-84324	279	1	1963	1963	NUM
bjp-84324	279	2	;	;	PUNCT
bjp-84324	279	3	7	7	NUM
bjp-84324	279	4	:	:	SYM
bjp-84324	279	5	95	95	NUM
bjp-84324	279	6	-	-	SYM
bjp-84324	279	7	99	99	NUM
bjp-84324	279	8	.	.	PUNCT
bjp-84324	280	1	ravelo	ravelo	PROPN
bjp-84324	280	2	m	m	PROPN
bjp-84324	280	3	,	,	PUNCT
bjp-84324	280	4	fuente	fuente	NOUN
bjp-84324	280	5	e	e	NOUN
bjp-84324	280	6	,	,	PUNCT
bjp-84324	280	7	blanco	blanco	PROPN
bjp-84324	280	8	a	a	X
bjp-84324	280	9	,	,	PUNCT
bjp-84324	280	10	ladero	ladero	PROPN
bjp-84324	280	11	m	m	PROPN
bjp-84324	280	12	,	,	PUNCT
bjp-84324	280	13	garcia	garcia	PROPN
bjp-84324	280	14	-	-	PUNCT
bjp-84324	280	15	ochoa	ochoa	PROPN
bjp-84324	280	16	f.	f.	PROPN
bjp-84324	280	17	esterification	esterification	PROPN
bjp-84324	280	18	of	of	ADP
bjp-84324	280	19	glycerol	glycerol	NOUN
bjp-84324	280	20	and	and	CCONJ
bjp-84324	280	21	ibuprofen	ibuprofen	NOUN
bjp-84324	280	22	in	in	ADP
bjp-84324	280	23	solventless	solventless	NOUN
bjp-84324	280	24	media	medium	NOUN
bjp-84324	280	25	catalyzed	catalyze	VERB
bjp-84324	280	26	by	by	ADP
bjp-84324	280	27	free	free	ADJ
bjp-84324	280	28	calb	calb	NOUN
bjp-84324	280	29	:	:	PUNCT
bjp-84324	280	30	kinetic	kinetic	ADJ
bjp-84324	280	31	modelling	modelling	NOUN
bjp-84324	280	32	.	.	PUNCT
bjp-84324	281	1	biochem	biochem	PROPN
bjp-84324	281	2	eng	eng	PROPN
bjp-84324	281	3	j.	j.	PROPN
bjp-84324	281	4	2015	2015	NUM
bjp-84324	281	5	;	;	PUNCT
bjp-84324	281	6	101	101	NUM
bjp-84324	281	7	:	:	PUNCT
bjp-84324	281	8	228	228	NUM
bjp-84324	281	9	-	-	SYM
bjp-84324	281	10	36	36	NUM
bjp-84324	281	11	.	.	PUNCT
bjp-84324	282	1	sheikh	sheikh	PROPN
bjp-84324	282	2	hk	hk	PROPN
bjp-84324	282	3	,	,	PUNCT
bjp-84324	282	4	kazmi	kazmi	PROPN
bjp-84324	282	5	mh	mh	PROPN
bjp-84324	282	6	.	.	PUNCT
bjp-84324	283	1	synthesis	synthesis	NOUN
bjp-84324	283	2	of	of	ADP
bjp-84324	283	3	novel	novel	ADJ
bjp-84324	283	4	1,2	1,2	NUM
bjp-84324	283	5	-	-	PUNCT
bjp-84324	283	6	diol	diol	NOUN
bjp-84324	283	7	containing	contain	VERB
bjp-84324	283	8	azo	azo	NOUN
bjp-84324	283	9	dyes	dye	NOUN
bjp-84324	283	10	for	for	ADP
bjp-84324	283	11	polymeric	polymeric	ADJ
bjp-84324	283	12	substrates	substrate	NOUN
bjp-84324	283	13	.	.	PUNCT
bjp-84324	284	1	j	j	PROPN
bjp-84324	284	2	chil	chil	VERB
bjp-84324	284	3	chem	chem	NOUN
bjp-84324	284	4	soc	soc	NOUN
bjp-84324	284	5	.	.	PUNCT
bjp-84324	285	1	2017	2017	NUM
bjp-84324	285	2	;	;	PUNCT
bjp-84324	285	3	62	62	NUM
bjp-84324	285	4	:	:	PUNCT
bjp-84324	285	5	3496	3496	NUM
bjp-84324	285	6	-	-	SYM
bjp-84324	285	7	500	500	NUM
bjp-84324	285	8	.	.	PUNCT
bjp-84324	286	1	sheikh	sheikh	PROPN
bjp-84324	286	2	hk	hk	PROPN
bjp-84324	286	3	,	,	PUNCT
bjp-84324	286	4	padron	padron	PROPN
bjp-84324	286	5	j	j	PROPN
bjp-84324	286	6	,	,	PUNCT
bjp-84324	286	7	arshad	arshad	PROPN
bjp-84324	286	8	t	t	PROPN
bjp-84324	286	9	,	,	PUNCT
bjp-84324	286	10	habib	habib	PROPN
bjp-84324	286	11	u	u	PROPN
bjp-84324	286	12	,	,	PUNCT
bjp-84324	286	13	hasan	hasan	PROPN
bjp-84324	286	14	m	m	PROPN
bjp-84324	286	15	,	,	PUNCT
bjp-84324	286	16	khan	khan	PROPN
bjp-84324	286	17	h	h	PROPN
bjp-84324	286	18	,	,	PUNCT
bjp-84324	286	19	ayub	ayub	PROPN
bjp-84324	286	20	k.	k.	PROPN
bjp-84324	287	1	new	new	ADJ
bjp-84324	287	2	dynamic	dynamic	ADJ
bjp-84324	287	3	scoring	scoring	NOUN
bjp-84324	287	4	method	method	NOUN
bjp-84324	287	5	for	for	ADP
bjp-84324	287	6	deep	deep	ADJ
bjp-84324	287	7	evaluation	evaluation	NOUN
bjp-84324	287	8	of	of	ADP
bjp-84324	287	9	naloxegol	naloxegol	NOUN
bjp-84324	287	10	as	as	ADP
bjp-84324	287	11	β	β	NOUN
bjp-84324	287	12	-	-	PUNCT
bjp-84324	287	13	tubulin	tubulin	NOUN
bjp-84324	287	14	binding	bind	VERB
bjp-84324	287	15	inhibitor	inhibitor	NOUN
bjp-84324	287	16	.	.	PUNCT
bjp-84324	288	1	pakistan	pakistan	PROPN
bjp-84324	288	2	j	j	PROPN
bjp-84324	288	3	pharm	pharm	PROPN
bjp-84324	288	4	sci	sci	PROPN
bjp-84324	288	5	.	.	PROPN
bjp-84324	288	6	2024	2024	NUM
bjp-84324	288	7	;	;	PUNCT
bjp-84324	288	8	37	37	NUM
bjp-84324	288	9	:	:	PUNCT
bjp-84324	288	10	949	949	NUM
bjp-84324	288	11	-	-	SYM
bjp-84324	288	12	59	59	NUM
bjp-84324	288	13	.	.	PUNCT
bjp-84324	289	1	tan	tan	PROPN
bjp-84324	289	2	l	l	PROPN
bjp-84324	289	3	,	,	PUNCT
bjp-84324	289	4	su	su	PROPN
bjp-84324	289	5	j	j	PROPN
bjp-84324	289	6	,	,	PUNCT
bjp-84324	289	7	wu	wu	PROPN
bjp-84324	290	1	d	d	PROPN
bjp-84324	290	2	,	,	PUNCT
bjp-84324	290	3	yu	yu	PROPN
bjp-84324	290	4	x	x	PROPN
bjp-84324	290	5	,	,	PUNCT
bjp-84324	290	6	su	su	PROPN
bjp-84324	290	7	z	z	PROPN
bjp-84324	290	8	,	,	PUNCT
bjp-84324	290	9	he	he	PRON
bjp-84324	290	10	j	j	PROPN
bjp-84324	290	11	,	,	PUNCT
bjp-84324	290	12	wu	wu	PROPN
bjp-84324	290	13	x	x	PROPN
bjp-84324	290	14	,	,	PUNCT
bjp-84324	290	15	kong	kong	PROPN
bjp-84324	290	16	s	s	PROPN
bjp-84324	290	17	,	,	PUNCT
bjp-84324	290	18	lai	lai	PROPN
bjp-84324	290	19	x	x	PROPN
bjp-84324	290	20	,	,	PUNCT
bjp-84324	290	21	lin	lin	PROPN
bjp-84324	290	22	j	j	PROPN
bjp-84324	290	23	,	,	PUNCT
bjp-84324	290	24	su	su	PROPN
bjp-84324	290	25	z.	z.	PROPN
bjp-84324	290	26	kinetics	kinetics	PROPN
bjp-84324	290	27	and	and	CCONJ
bjp-84324	290	28	mechanism	mechanism	NOUN
bjp-84324	290	29	study	study	NOUN
bjp-84324	290	30	of	of	ADP
bjp-84324	290	31	competitive	competitive	ADJ
bjp-84324	290	32	inhibition	inhibition	NOUN
bjp-84324	290	33	of	of	ADP
bjp-84324	290	34	jack	jack	NOUN
bjp-84324	290	35	-	-	PUNCT
bjp-84324	290	36	bean	bean	NOUN
bjp-84324	290	37	urease	urease	NOUN
bjp-84324	290	38	by	by	ADP
bjp-84324	290	39	baicalin	baicalin	NOUN
bjp-84324	290	40	.	.	PUNCT
bjp-84324	291	1	sci	sci	PROPN
bjp-84324	291	2	world	world	PROPN
bjp-84324	291	3	j.	j.	PROPN
bjp-84324	291	4	2013	2013	NUM
bjp-84324	291	5	;	;	PUNCT
bjp-84324	291	6	2013	2013	NUM
bjp-84324	291	7	:	:	PUNCT
bjp-84324	291	8	1	1	NUM
bjp-84324	291	9	-	-	SYM
bjp-84324	291	10	9	9	NUM
bjp-84324	291	11	.	.	PUNCT
bjp-84324	292	1	vanommeslaeghe	vanommeslaeghe	PROPN
bjp-84324	292	2	k	k	PROPN
bjp-84324	292	3	,	,	PUNCT
bjp-84324	292	4	hatcher	hatcher	PROPN
bjp-84324	292	5	e	e	PROPN
bjp-84324	292	6	,	,	PUNCT
bjp-84324	292	7	acharya	acharya	PROPN
bjp-84324	292	8	c	c	NOUN
bjp-84324	292	9	,	,	PUNCT
bjp-84324	292	10	kundu	kundu	PROPN
bjp-84324	292	11	s	s	PROPN
bjp-84324	292	12	,	,	PUNCT
bjp-84324	292	13	zhong	zhong	PROPN
bjp-84324	292	14	s	s	PROPN
bjp-84324	292	15	,	,	PUNCT
bjp-84324	292	16	shim	shim	NOUN
bjp-84324	292	17	j	j	PROPN
bjp-84324	292	18	,	,	PUNCT
bjp-84324	292	19	darian	darian	PROPN
bjp-84324	292	20	e	e	NOUN
bjp-84324	292	21	,	,	PUNCT
bjp-84324	292	22	guvench	guvench	NOUN
bjp-84324	292	23	o	o	PROPN
bjp-84324	292	24	,	,	PUNCT
bjp-84324	292	25	lopes	lopes	PROPN
bjp-84324	292	26	p	p	X
bjp-84324	292	27	,	,	PUNCT
bjp-84324	292	28	vorobyov	vorobyov	VERB
bjp-84324	292	29	i	i	PRON
bjp-84324	292	30	,	,	PUNCT
bjp-84324	293	1	mackerell	mackerell	ADJ
bjp-84324	293	2	ad	ad	NOUN
bjp-84324	293	3	.	.	PUNCT
bjp-84324	293	4	charmm	charmm	PROPN
bjp-84324	293	5	general	general	ADJ
bjp-84324	293	6	force	force	PROPN
bjp-84324	293	7	field	field	NOUN
bjp-84324	293	8	:	:	PUNCT
bjp-84324	293	9	a	a	DET
bjp-84324	293	10	force	force	NOUN
bjp-84324	293	11	field	field	NOUN
bjp-84324	293	12	for	for	ADP
bjp-84324	293	13	drug	drug	NOUN
bjp-84324	293	14	-like	-like	ADJ
bjp-84324	293	15	molecules	molecule	NOUN
bjp-84324	293	16	compatible	compatible	ADJ
bjp-84324	293	17	with	with	ADP
bjp-84324	293	18	the	the	DET
bjp-84324	293	19	charmm	charmm	NOUN
bjp-84324	293	20	all	all	DET
bjp-84324	293	21	-	-	PUNCT
bjp-84324	293	22	atom	atom	NOUN
bjp-84324	293	23	additive	additive	ADJ
bjp-84324	293	24	biological	biological	ADJ
bjp-84324	293	25	force	force	NOUN
bjp-84324	293	26	fields	field	NOUN
bjp-84324	293	27	.	.	PUNCT
bjp-84324	294	1	j	j	PROPN
bjp-84324	294	2	comput	comput	PROPN
bjp-84324	294	3	chem	chem	PROPN
bjp-84324	294	4	.	.	PUNCT
bjp-84324	295	1	2010	2010	NUM
bjp-84324	295	2	;	;	PUNCT
bjp-84324	295	3	31	31	NUM
bjp-84324	295	4	:	:	PUNCT
bjp-84324	295	5	671	671	NUM
bjp-84324	295	6	-	-	SYM
bjp-84324	295	7	90	90	NUM
bjp-84324	295	8	.	.	PUNCT
bjp-84324	296	1	wang	wang	PROPN
bjp-84324	296	2	q	q	PROPN
bjp-84324	296	3	,	,	PUNCT
bjp-84324	296	4	he	he	PRON
bjp-84324	296	5	j	j	PROPN
bjp-84324	296	6	,	,	PUNCT
bjp-84324	296	7	wu	wu	PROPN
bjp-84324	296	8	d	d	PROPN
bjp-84324	296	9	,	,	PUNCT
bjp-84324	296	10	wang	wang	PROPN
bjp-84324	296	11	j	j	PROPN
bjp-84324	296	12	,	,	PUNCT
bjp-84324	296	13	yan	yan	PROPN
bjp-84324	296	14	j	j	PROPN
bjp-84324	296	15	,	,	PUNCT
bjp-84324	296	16	li	li	PROPN
bjp-84324	296	17	h.	h.	PROPN
bjp-84324	296	18	interaction	interaction	NOUN
bjp-84324	296	19	of	of	ADP
bjp-84324	296	20	αcyperone	αcyperone	NOUN
bjp-84324	296	21	with	with	ADP
bjp-84324	296	22	human	human	ADJ
bjp-84324	296	23	serum	serum	NOUN
bjp-84324	296	24	albumin	albumin	NOUN
bjp-84324	296	25	:	:	PUNCT
bjp-84324	296	26	determination	determination	NOUN
bjp-84324	296	27	of	of	ADP
bjp-84324	296	28	the	the	DET
bjp-84324	296	29	binding	bind	VERB
bjp-84324	296	30	site	site	NOUN
bjp-84324	296	31	by	by	ADP
bjp-84324	296	32	using	use	VERB
bjp-84324	296	33	discovery	discovery	NOUN
bjp-84324	296	34	studio	studio	NOUN
bjp-84324	296	35	and	and	CCONJ
bjp-84324	296	36	via	via	ADP
bjp-84324	296	37	spectroscopic	spectroscopic	ADJ
bjp-84324	296	38	methods	method	NOUN
bjp-84324	296	39	.	.	PUNCT
bjp-84324	297	1	j	j	PROPN
bjp-84324	297	2	lumin	lumin	PROPN
bjp-84324	297	3	.	.	PROPN
bjp-84324	297	4	2015	2015	NUM
bjp-84324	297	5	;	;	PUNCT
bjp-84324	297	6	164	164	NUM
bjp-84324	297	7	:	:	SYM
bjp-84324	297	8	81	81	NUM
bjp-84324	297	9	-	-	SYM
bjp-84324	297	10	85	85	NUM
bjp-84324	297	11	.	.	PUNCT
bjp-84324	298	1	weatherburn	weatherburn	PROPN
bjp-84324	298	2	mw	mw	PROPN
bjp-84324	298	3	.	.	PROPN
bjp-84324	298	4	phenol	phenol	NOUN
bjp-84324	298	5	-	-	PUNCT
bjp-84324	298	6	hypochlorite	hypochlorite	NOUN
bjp-84324	298	7	reaction	reaction	NOUN
bjp-84324	298	8	for	for	ADP
bjp-84324	298	9	determination	determination	NOUN
bjp-84324	298	10	of	of	ADP
bjp-84324	298	11	nh3	nh3	PROPN
bjp-84324	298	12	.	.	PUNCT
bjp-84324	298	13	anal	anal	ADJ
bjp-84324	298	14	chem	chem	NOUN
bjp-84324	298	15	.	.	PUNCT
bjp-84324	299	1	1967	1967	NUM
bjp-84324	299	2	;	;	PUNCT
bjp-84324	299	3	39	39	NUM
bjp-84324	299	4	:	:	PUNCT
bjp-84324	299	5	971	971	NUM
bjp-84324	299	6	-	-	SYM
bjp-84324	299	7	74	74	NUM
bjp-84324	299	8	.	.	PUNCT
bjp-84324	300	1	zizian	zizian	ADJ
bjp-84324	300	2	h	h	NOUN
bjp-84324	300	3	,	,	PUNCT
bjp-84324	300	4	nabati	nabati	PROPN
bjp-84324	300	5	f	f	PROPN
bjp-84324	300	6	,	,	PUNCT
bjp-84324	300	7	sharifi	sharifi	VERB
bjp-84324	300	8	a	a	PRON
bjp-84324	300	9	,	,	PUNCT
bjp-84324	300	10	siavoshi	siavoshi	PROPN
bjp-84324	300	11	f	f	PROPN
bjp-84324	300	12	,	,	PUNCT
bjp-84324	300	13	mahdavi	mahdavi	PROPN
bjp-84324	300	14	m	m	PROPN
bjp-84324	300	15	,	,	PUNCT
bjp-84324	300	16	amanlou	amanlou	ADV
bjp-84324	300	17	m.	m.	VERB
bjp-84324	300	18	large	large	ADJ
bjp-84324	300	19	-	-	PUNCT
bjp-84324	300	20	scale	scale	NOUN
bjp-84324	300	21	virtual	virtual	ADJ
bjp-84324	300	22	screening	screening	NOUN
bjp-84324	300	23	for	for	ADP
bjp-84324	300	24	the	the	DET
bjp-84324	300	25	identification	identification	NOUN
bjp-84324	300	26	of	of	ADP
bjp-84324	300	27	new	new	ADJ
bjp-84324	300	28	helicobacter	helicobacter	NOUN
bjp-84324	300	29	pylori	pylori	NOUN
bjp-84324	300	30	urease	urease	VERB
bjp-84324	300	31	inhibitor	inhibitor	NOUN
bjp-84324	300	32	scaffolds	scaffold	NOUN
bjp-84324	300	33	.	.	PUNCT
bjp-84324	301	1	j	j	PROPN
bjp-84324	301	2	mol	mol	PROPN
bjp-84324	301	3	model	model	PROPN
bjp-84324	301	4	.	.	PUNCT
bjp-84324	301	5	2012	2012	NUM
bjp-84324	301	6	;	;	PUNCT
bjp-84324	301	7	18	18	NUM
bjp-84324	301	8	:	:	SYM
bjp-84324	301	9	2917	2917	NUM
bjp-84324	301	10	-	-	SYM
bjp-84324	301	11	27	27	NUM
bjp-84324	301	12	.	.	PUNCT
bjp-84324	302	1	bangladesh	bangladesh	PROPN
bjp-84324	302	2	j	j	PROPN
bjp-84324	302	3	pharmacol	pharmacol	PROPN
bjp-84324	302	4	2025	2025	NUM
bjp-84324	302	5	;	;	PUNCT
bjp-84324	302	6	20	20	NUM
bjp-84324	302	7	:	:	SYM
bjp-84324	302	8	140	140	NUM
bjp-84324	302	9	-	-	SYM
bjp-84324	302	10	149	149	NUM
bjp-84324	302	11	149	149	NUM
bjp-84324	302	12	mailto:hamdullah.khadim.sheikh@gmail.com	mailto:hamdullah.khadim.sheikh@gmail.com	X