id	sid	tid	token	lemma	pos
eurjchem-2135	1	1	comparative	comparative	ADJ
eurjchem-2135	1	2	assessment	assessment	NOUN
eurjchem-2135	1	3	of	of	ADP
eurjchem-2135	1	4	some	some	DET
eurjchem-2135	1	5	benzodiazepine	benzodiazepine	NOUN
eurjchem-2135	1	6	drugs	drug	NOUN
eurjchem-2135	1	7	based	base	VERB
eurjchem-2135	1	8	on	on	ADP
eurjchem-2135	1	9	density	density	NOUN
eurjchem-2135	1	10	functional	functional	ADJ
eurjchem-2135	1	11	theory	theory	NOUN
eurjchem-2135	1	12	,	,	PUNCT
eurjchem-2135	1	13	molecular	molecular	ADJ
eurjchem-2135	1	14	docking	docking	NOUN
eurjchem-2135	1	15	,	,	PUNCT
eurjchem-2135	1	16	and	and	CCONJ
eurjchem-2135	1	17	admet	admet	PROPN
eurjchem-2135	1	18	studies	studies	PROPN
eurjchem-2135	1	19	european	european	PROPN
eurjchem-2135	1	20	journal	journal	PROPN
eurjchem-2135	1	21	of	of	ADP
eurjchem-2135	1	22	chemistry	chemistry	NOUN
eurjchem-2135	1	23	12	12	NUM
eurjchem-2135	1	24	(	(	PUNCT
eurjchem-2135	1	25	4	4	NUM
eurjchem-2135	1	26	)	)	PUNCT
eurjchem-2135	1	27	(	(	PUNCT
eurjchem-2135	1	28	2021	2021	NUM
eurjchem-2135	1	29	)	)	PUNCT
eurjchem-2135	1	30	412	412	NUM
eurjchem-2135	1	31	-	-	SYM
eurjchem-2135	1	32	418	418	NUM
eurjchem-2135	1	33	european	european	ADJ
eurjchem-2135	1	34	journal	journal	PROPN
eurjchem-2135	1	35	of	of	ADP
eurjchem-2135	1	36	chemistry	chemistry	NOUN
eurjchem-2135	1	37	issn	issn	VERB
eurjchem-2135	1	38	2153	2153	NUM
eurjchem-2135	1	39	-	-	SYM
eurjchem-2135	1	40	2249	2249	NUM
eurjchem-2135	1	41	(	(	PUNCT
eurjchem-2135	1	42	print	print	NOUN
eurjchem-2135	1	43	)	)	PUNCT
eurjchem-2135	1	44	/	/	PUNCT
eurjchem-2135	1	45	issn	issn	PROPN
eurjchem-2135	1	46	2153	2153	NUM
eurjchem-2135	1	47	-	-	SYM
eurjchem-2135	1	48	2257	2257	NUM
eurjchem-2135	1	49	(	(	PUNCT
eurjchem-2135	1	50	online	online	ADJ
eurjchem-2135	1	51	)	)	PUNCT
eurjchem-2135	1	52	–	–	PUNCT
eurjchem-2135	2	1	copyright	copyright	NOUN
eurjchem-2135	2	2	©	©	PROPN
eurjchem-2135	2	3	2021	2021	NUM
eurjchem-2135	2	4	the	the	DET
eurjchem-2135	2	5	authors	author	NOUN
eurjchem-2135	2	6	–	–	PUNCT
eurjchem-2135	2	7	atlanta	atlanta	PROPN
eurjchem-2135	2	8	publishing	publishing	PROPN
eurjchem-2135	2	9	house	house	PROPN
eurjchem-2135	2	10	llc	llc	PROPN
eurjchem-2135	2	11	–	–	PUNCT
eurjchem-2135	2	12	printed	print	VERB
eurjchem-2135	2	13	in	in	ADP
eurjchem-2135	2	14	the	the	DET
eurjchem-2135	2	15	usa	usa	PROPN
eurjchem-2135	2	16	.	.	PUNCT
eurjchem-2135	3	1	this	this	DET
eurjchem-2135	3	2	work	work	NOUN
eurjchem-2135	3	3	is	be	AUX
eurjchem-2135	3	4	published	publish	VERB
eurjchem-2135	3	5	and	and	CCONJ
eurjchem-2135	3	6	licensed	license	VERB
eurjchem-2135	3	7	by	by	ADP
eurjchem-2135	3	8	atlanta	atlanta	PROPN
eurjchem-2135	3	9	publishing	publishing	PROPN
eurjchem-2135	3	10	house	house	PROPN
eurjchem-2135	3	11	llc	llc	PROPN
eurjchem-2135	3	12	–	–	PUNCT
eurjchem-2135	3	13	cc	cc	PROPN
eurjchem-2135	3	14	by	by	ADP
eurjchem-2135	3	15	nc	nc	PROPN
eurjchem-2135	3	16	–	–	PUNCT
eurjchem-2135	3	17	some	some	DET
eurjchem-2135	3	18	rights	right	NOUN
eurjchem-2135	3	19	reserved	reserve	VERB
eurjchem-2135	3	20	.	.	PUNCT
eurjchem-2135	4	1	https://dx.doi.org/10.5155/eurjchem.12.4.412-418.2135	https://dx.doi.org/10.5155/eurjchem.12.4.412-418.2135	NOUN
eurjchem-2135	4	2	european	european	PROPN
eurjchem-2135	4	3	journal	journal	PROPN
eurjchem-2135	4	4	of	of	ADP
eurjchem-2135	4	5	chemistry	chemistry	NOUN
eurjchem-2135	4	6	view	view	NOUN
eurjchem-2135	4	7	journal	journal	PROPN
eurjchem-2135	4	8	online	online	PROPN
eurjchem-2135	4	9	view	view	NOUN
eurjchem-2135	4	10	article	article	NOUN
eurjchem-2135	4	11	online	online	PROPN
eurjchem-2135	4	12	comparative	comparative	ADJ
eurjchem-2135	4	13	assessment	assessment	NOUN
eurjchem-2135	4	14	of	of	ADP
eurjchem-2135	4	15	some	some	DET
eurjchem-2135	4	16	benzodiazepine	benzodiazepine	NOUN
eurjchem-2135	4	17	drugs	drug	NOUN
eurjchem-2135	4	18	based	base	VERB
eurjchem-2135	4	19	on	on	ADP
eurjchem-2135	4	20	density	density	NOUN
eurjchem-2135	4	21	functional	functional	ADJ
eurjchem-2135	4	22	theory	theory	NOUN
eurjchem-2135	4	23	,	,	PUNCT
eurjchem-2135	4	24	molecular	molecular	ADJ
eurjchem-2135	4	25	docking	docking	NOUN
eurjchem-2135	4	26	,	,	PUNCT
eurjchem-2135	4	27	and	and	CCONJ
eurjchem-2135	4	28	admet	admet	PROPN
eurjchem-2135	4	29	studies	study	NOUN
eurjchem-2135	4	30	monir	monir	VERB
eurjchem-2135	4	31	uzzaman	uzzaman	NOUN
eurjchem-2135	4	32	1,2	1,2	NUM
eurjchem-2135	4	33	,	,	PUNCT
eurjchem-2135	4	34	amrin	amrin	NOUN
eurjchem-2135	4	35	ahsan	ahsan	ADJ
eurjchem-2135	4	36	1	1	NUM
eurjchem-2135	4	37	and	and	CCONJ
eurjchem-2135	4	38	mohammad	mohammad	PROPN
eurjchem-2135	4	39	nasir	nasir	PROPN
eurjchem-2135	4	40	uddin	uddin	PROPN
eurjchem-2135	4	41	1	1	NUM
eurjchem-2135	4	42	,	,	PUNCT
eurjchem-2135	4	43	*	*	PROPN
eurjchem-2135	4	44	1	1	NUM
eurjchem-2135	4	45	department	department	NOUN
eurjchem-2135	4	46	of	of	ADP
eurjchem-2135	4	47	chemistry	chemistry	NOUN
eurjchem-2135	4	48	,	,	PUNCT
eurjchem-2135	4	49	university	university	PROPN
eurjchem-2135	4	50	of	of	ADP
eurjchem-2135	4	51	chittagong	chittagong	PROPN
eurjchem-2135	4	52	,	,	PUNCT
eurjchem-2135	4	53	chittagong-4331	chittagong-4331	NOUN
eurjchem-2135	4	54	,	,	PUNCT
eurjchem-2135	4	55	bangladesh	bangladesh	NOUN
eurjchem-2135	4	56	monircu92@gmail.com	monircu92@gmail.com	PROPN
eurjchem-2135	4	57	(	(	PUNCT
eurjchem-2135	4	58	m.u	m.u	PROPN
eurjchem-2135	4	59	.	.	PROPN
eurjchem-2135	4	60	)	)	PUNCT
eurjchem-2135	4	61	,	,	PUNCT
eurjchem-2135	5	1	amrinahsan63@gmail.com	amrinahsan63@gmail.com	X
eurjchem-2135	5	2	(	(	PUNCT
eurjchem-2135	5	3	a.a	a.a	PROPN
eurjchem-2135	5	4	.	.	PROPN
eurjchem-2135	5	5	)	)	PUNCT
eurjchem-2135	5	6	,	,	PUNCT
eurjchem-2135	6	1	mnuchem@cu.ac.bd	mnuchem@cu.ac.bd	ADJ
eurjchem-2135	6	2	(	(	PUNCT
eurjchem-2135	6	3	m.n.u	m.n.u	NOUN
eurjchem-2135	6	4	.	.	PUNCT
eurjchem-2135	6	5	)	)	PUNCT
eurjchem-2135	7	1	2	2	NUM
eurjchem-2135	7	2	department	department	NOUN
eurjchem-2135	7	3	of	of	ADP
eurjchem-2135	7	4	applied	apply	VERB
eurjchem-2135	7	5	chemistry	chemistry	NOUN
eurjchem-2135	7	6	and	and	CCONJ
eurjchem-2135	7	7	biochemical	biochemical	ADJ
eurjchem-2135	7	8	engineering	engineering	NOUN
eurjchem-2135	7	9	,	,	PUNCT
eurjchem-2135	7	10	shizuoka	shizuoka	PROPN
eurjchem-2135	7	11	university	university	PROPN
eurjchem-2135	7	12	,	,	PUNCT
eurjchem-2135	7	13	3	3	NUM
eurjchem-2135	7	14	-	-	SYM
eurjchem-2135	7	15	5	5	NUM
eurjchem-2135	7	16	-	-	SYM
eurjchem-2135	7	17	1	1	NUM
eurjchem-2135	7	18	,	,	PUNCT
eurjchem-2135	7	19	johoku	johoku	NOUN
eurjchem-2135	7	20	,	,	PUNCT
eurjchem-2135	7	21	hamamatsu	hamamatsu	NOUN
eurjchem-2135	7	22	,	,	PUNCT
eurjchem-2135	7	23	432	432	NUM
eurjchem-2135	7	24	-	-	SYM
eurjchem-2135	7	25	8011	8011	NUM
eurjchem-2135	7	26	,	,	PUNCT
eurjchem-2135	7	27	japan	japan	PROPN
eurjchem-2135	7	28	*	*	PUNCT
eurjchem-2135	7	29	corresponding	correspond	VERB
eurjchem-2135	7	30	author	author	NOUN
eurjchem-2135	7	31	at	at	ADP
eurjchem-2135	7	32	:	:	PUNCT
eurjchem-2135	7	33	department	department	NOUN
eurjchem-2135	7	34	of	of	ADP
eurjchem-2135	7	35	chemistry	chemistry	NOUN
eurjchem-2135	7	36	,	,	PUNCT
eurjchem-2135	7	37	university	university	PROPN
eurjchem-2135	7	38	of	of	ADP
eurjchem-2135	7	39	chittagong	chittagong	PROPN
eurjchem-2135	7	40	,	,	PUNCT
eurjchem-2135	7	41	chittagong-4331	chittagong-4331	ADJ
eurjchem-2135	7	42	,	,	PUNCT
eurjchem-2135	7	43	bangladesh	bangladesh	NOUN
eurjchem-2135	7	44	.	.	PUNCT
eurjchem-2135	8	1	e	e	X
eurjchem-2135	8	2	-	-	NOUN
eurjchem-2135	8	3	mail	mail	NOUN
eurjchem-2135	8	4	:	:	PUNCT
eurjchem-2135	8	5	mnuchem@cu.ac.bd	mnuchem@cu.ac.bd	ADJ
eurjchem-2135	8	6	(	(	PUNCT
eurjchem-2135	8	7	m.n	m.n	PROPN
eurjchem-2135	8	8	.	.	PUNCT
eurjchem-2135	8	9	uddin	uddin	PROPN
eurjchem-2135	8	10	)	)	PUNCT
eurjchem-2135	8	11	.	.	PUNCT
eurjchem-2135	9	1	10.5155	10.5155	NUM
eurjchem-2135	9	2	/	/	SYM
eurjchem-2135	9	3	eurjchem.12.4.412	eurjchem.12.4.412	NOUN
eurjchem-2135	9	4	-	-	SYM
eurjchem-2135	9	5	418.2135	418.2135	NUM
eurjchem-2135	9	6	received	receive	VERB
eurjchem-2135	9	7	:	:	PUNCT
eurjchem-2135	9	8	06	06	NUM
eurjchem-2135	9	9	july	july	PROPN
eurjchem-2135	9	10	2021	2021	NUM
eurjchem-2135	9	11	received	receive	VERB
eurjchem-2135	9	12	in	in	ADP
eurjchem-2135	9	13	revised	revise	VERB
eurjchem-2135	9	14	form	form	NOUN
eurjchem-2135	9	15	:	:	PUNCT
eurjchem-2135	9	16	02	02	NUM
eurjchem-2135	9	17	september	september	PROPN
eurjchem-2135	9	18	2021	2021	NUM
eurjchem-2135	9	19	accepted	accept	VERB
eurjchem-2135	9	20	:	:	PUNCT
eurjchem-2135	9	21	08	08	NUM
eurjchem-2135	9	22	september	september	PROPN
eurjchem-2135	9	23	2021	2021	NUM
eurjchem-2135	9	24	published	publish	VERB
eurjchem-2135	9	25	online	online	ADV
eurjchem-2135	9	26	:	:	PUNCT
eurjchem-2135	9	27	31	31	NUM
eurjchem-2135	9	28	december	december	PROPN
eurjchem-2135	9	29	2021	2021	NUM
eurjchem-2135	9	30	printed	print	VERB
eurjchem-2135	9	31	:	:	PUNCT
eurjchem-2135	9	32	31	31	NUM
eurjchem-2135	9	33	december	december	PROPN
eurjchem-2135	9	34	2021	2021	NUM
eurjchem-2135	9	35	benzodiazepines	benzodiazepine	NOUN
eurjchem-2135	9	36	are	be	AUX
eurjchem-2135	9	37	widely	widely	ADV
eurjchem-2135	9	38	used	use	VERB
eurjchem-2135	9	39	to	to	PART
eurjchem-2135	9	40	treat	treat	VERB
eurjchem-2135	9	41	anxiety	anxiety	NOUN
eurjchem-2135	9	42	,	,	PUNCT
eurjchem-2135	9	43	insomnia	insomnia	NOUN
eurjchem-2135	9	44	,	,	PUNCT
eurjchem-2135	9	45	agitation	agitation	NOUN
eurjchem-2135	9	46	,	,	PUNCT
eurjchem-2135	9	47	seizures	seizure	NOUN
eurjchem-2135	9	48	,	,	PUNCT
eurjchem-2135	9	49	and	and	CCONJ
eurjchem-2135	9	50	muscle	muscle	NOUN
eurjchem-2135	9	51	spasms	spasm	NOUN
eurjchem-2135	9	52	.	.	PUNCT
eurjchem-2135	10	1	it	it	PRON
eurjchem-2135	10	2	works	work	VERB
eurjchem-2135	10	3	through	through	ADP
eurjchem-2135	10	4	the	the	DET
eurjchem-2135	10	5	gabaa	gabaa	NOUN
eurjchem-2135	10	6	receptors	receptor	NOUN
eurjchem-2135	10	7	to	to	PART
eurjchem-2135	10	8	promote	promote	VERB
eurjchem-2135	10	9	sleep	sleep	NOUN
eurjchem-2135	10	10	by	by	ADP
eurjchem-2135	10	11	inhibiting	inhibit	VERB
eurjchem-2135	10	12	brainstem	brainstem	NOUN
eurjchem-2135	10	13	monoaminergic	monoaminergic	ADJ
eurjchem-2135	10	14	arousal	arousal	NOUN
eurjchem-2135	10	15	pathways	pathway	NOUN
eurjchem-2135	10	16	.	.	PUNCT
eurjchem-2135	11	1	it	it	PRON
eurjchem-2135	11	2	is	be	AUX
eurjchem-2135	11	3	safe	safe	ADJ
eurjchem-2135	11	4	and	and	CCONJ
eurjchem-2135	11	5	effective	effective	ADJ
eurjchem-2135	11	6	for	for	ADP
eurjchem-2135	11	7	short	short	ADJ
eurjchem-2135	11	8	-	-	PUNCT
eurjchem-2135	11	9	term	term	NOUN
eurjchem-2135	11	10	use	use	NOUN
eurjchem-2135	11	11	,	,	PUNCT
eurjchem-2135	11	12	and	and	CCONJ
eurjchem-2135	11	13	arises	arise	VERB
eurjchem-2135	11	14	some	some	DET
eurjchem-2135	11	15	crucial	crucial	ADJ
eurjchem-2135	11	16	side	side	NOUN
eurjchem-2135	11	17	effects	effect	NOUN
eurjchem-2135	11	18	based	base	VERB
eurjchem-2135	11	19	on	on	ADP
eurjchem-2135	11	20	dose	dose	NOUN
eurjchem-2135	11	21	and	and	CCONJ
eurjchem-2135	11	22	physical	physical	ADJ
eurjchem-2135	11	23	condition	condition	NOUN
eurjchem-2135	11	24	.	.	PUNCT
eurjchem-2135	12	1	in	in	ADP
eurjchem-2135	12	2	this	this	DET
eurjchem-2135	12	3	investigation	investigation	NOUN
eurjchem-2135	12	4	,	,	PUNCT
eurjchem-2135	12	5	physicochemical	physicochemical	ADJ
eurjchem-2135	12	6	properties	property	NOUN
eurjchem-2135	12	7	,	,	PUNCT
eurjchem-2135	12	8	molecular	molecular	ADJ
eurjchem-2135	12	9	docking	docking	NOUN
eurjchem-2135	12	10	,	,	PUNCT
eurjchem-2135	12	11	and	and	CCONJ
eurjchem-2135	12	12	admet	admet	PROPN
eurjchem-2135	12	13	properties	property	NOUN
eurjchem-2135	12	14	have	have	AUX
eurjchem-2135	12	15	been	be	AUX
eurjchem-2135	12	16	studied	study	VERB
eurjchem-2135	12	17	.	.	PUNCT
eurjchem-2135	13	1	density	density	NOUN
eurjchem-2135	13	2	functional	functional	ADJ
eurjchem-2135	13	3	theory	theory	NOUN
eurjchem-2135	13	4	with	with	ADP
eurjchem-2135	13	5	b3lyp/6	b3lyp/6	PROPN
eurjchem-2135	13	6	-	-	NOUN
eurjchem-2135	13	7	311g+(d	311g+(d	ADJ
eurjchem-2135	13	8	,	,	PUNCT
eurjchem-2135	13	9	p	p	NOUN
eurjchem-2135	13	10	)	)	PUNCT
eurjchem-2135	13	11	level	level	NOUN
eurjchem-2135	13	12	of	of	ADP
eurjchem-2135	13	13	theory	theory	NOUN
eurjchem-2135	13	14	was	be	AUX
eurjchem-2135	13	15	set	set	VERB
eurjchem-2135	13	16	for	for	ADP
eurjchem-2135	13	17	geometry	geometry	NOUN
eurjchem-2135	13	18	optimization	optimization	NOUN
eurjchem-2135	13	19	and	and	CCONJ
eurjchem-2135	13	20	elucidate	elucidate	VERB
eurjchem-2135	13	21	their	their	PRON
eurjchem-2135	13	22	thermodynamic	thermodynamic	ADJ
eurjchem-2135	13	23	,	,	PUNCT
eurjchem-2135	13	24	orbital	orbital	ADJ
eurjchem-2135	13	25	,	,	PUNCT
eurjchem-2135	13	26	dipole	dipole	NOUN
eurjchem-2135	13	27	moment	moment	NOUN
eurjchem-2135	13	28	,	,	PUNCT
eurjchem-2135	13	29	and	and	CCONJ
eurjchem-2135	13	30	electrostatic	electrostatic	ADJ
eurjchem-2135	13	31	potential	potential	ADJ
eurjchem-2135	13	32	properties	property	NOUN
eurjchem-2135	13	33	.	.	PUNCT
eurjchem-2135	14	1	molecular	molecular	ADJ
eurjchem-2135	14	2	docking	docking	NOUN
eurjchem-2135	14	3	and	and	CCONJ
eurjchem-2135	14	4	interaction	interaction	NOUN
eurjchem-2135	14	5	calculations	calculation	NOUN
eurjchem-2135	14	6	have	have	AUX
eurjchem-2135	14	7	performed	perform	VERB
eurjchem-2135	14	8	against	against	ADP
eurjchem-2135	14	9	human	human	ADJ
eurjchem-2135	14	10	gabaa	gabaa	NOUN
eurjchem-2135	14	11	receptor	receptor	NOUN
eurjchem-2135	14	12	protein	protein	NOUN
eurjchem-2135	14	13	(	(	PUNCT
eurjchem-2135	14	14	pdb	pdb	PROPN
eurjchem-2135	14	15	i	i	PROPN
eurjchem-2135	14	16	d	d	PROPN
eurjchem-2135	14	17	:	:	PUNCT
eurjchem-2135	14	18	4cof	4cof	X
eurjchem-2135	14	19	)	)	PUNCT
eurjchem-2135	14	20	to	to	PART
eurjchem-2135	14	21	search	search	VERB
eurjchem-2135	14	22	the	the	DET
eurjchem-2135	14	23	binding	bind	VERB
eurjchem-2135	14	24	affinity	affinity	NOUN
eurjchem-2135	14	25	and	and	CCONJ
eurjchem-2135	14	26	effective	effective	ADJ
eurjchem-2135	14	27	interactions	interaction	NOUN
eurjchem-2135	14	28	of	of	ADP
eurjchem-2135	14	29	drugs	drug	NOUN
eurjchem-2135	14	30	with	with	ADP
eurjchem-2135	14	31	the	the	DET
eurjchem-2135	14	32	receptor	receptor	NOUN
eurjchem-2135	14	33	protein	protein	NOUN
eurjchem-2135	14	34	.	.	PUNCT
eurjchem-2135	15	1	admet	admet	PROPN
eurjchem-2135	15	2	prediction	prediction	NOUN
eurjchem-2135	15	3	has	have	AUX
eurjchem-2135	15	4	performed	perform	VERB
eurjchem-2135	15	5	to	to	PART
eurjchem-2135	15	6	investigate	investigate	VERB
eurjchem-2135	15	7	their	their	PRON
eurjchem-2135	15	8	absorption	absorption	NOUN
eurjchem-2135	15	9	,	,	PUNCT
eurjchem-2135	15	10	metabolism	metabolism	NOUN
eurjchem-2135	15	11	,	,	PUNCT
eurjchem-2135	15	12	and	and	CCONJ
eurjchem-2135	15	13	toxic	toxic	ADJ
eurjchem-2135	15	14	properties	property	NOUN
eurjchem-2135	15	15	.	.	PUNCT
eurjchem-2135	16	1	thermochemical	thermochemical	ADJ
eurjchem-2135	16	2	data	datum	NOUN
eurjchem-2135	16	3	suggest	suggest	VERB
eurjchem-2135	16	4	the	the	DET
eurjchem-2135	16	5	thermal	thermal	ADJ
eurjchem-2135	16	6	stability	stability	NOUN
eurjchem-2135	16	7	;	;	PUNCT
eurjchem-2135	16	8	the	the	DET
eurjchem-2135	16	9	docking	docking	NOUN
eurjchem-2135	16	10	result	result	NOUN
eurjchem-2135	16	11	predicts	predict	VERB
eurjchem-2135	16	12	effecting	effect	VERB
eurjchem-2135	16	13	bindings	binding	NOUN
eurjchem-2135	16	14	and	and	CCONJ
eurjchem-2135	16	15	admet	admet	PROPN
eurjchem-2135	16	16	calculation	calculation	NOUN
eurjchem-2135	16	17	disclose	disclose	VERB
eurjchem-2135	16	18	non	non	ADJ
eurjchem-2135	16	19	-	-	ADJ
eurjchem-2135	16	20	carcinogenic	carcinogenic	ADJ
eurjchem-2135	16	21	and	and	CCONJ
eurjchem-2135	16	22	relatively	relatively	ADV
eurjchem-2135	16	23	harmless	harmless	ADJ
eurjchem-2135	16	24	phenomena	phenomenon	NOUN
eurjchem-2135	16	25	for	for	ADP
eurjchem-2135	16	26	oral	oral	ADJ
eurjchem-2135	16	27	administration	administration	NOUN
eurjchem-2135	16	28	of	of	ADP
eurjchem-2135	16	29	all	all	DET
eurjchem-2135	16	30	drugs	drug	NOUN
eurjchem-2135	16	31	.	.	PUNCT
eurjchem-2135	17	1	admet	admet	PROPN
eurjchem-2135	17	2	gabaa	gabaa	NOUN
eurjchem-2135	17	3	receptors	receptor	NOUN
eurjchem-2135	17	4	benzodiazepines	benzodiazepine	VERB
eurjchem-2135	17	5	molecular	molecular	ADJ
eurjchem-2135	17	6	docking	docking	NOUN
eurjchem-2135	17	7	density	density	NOUN
eurjchem-2135	17	8	functional	functional	ADJ
eurjchem-2135	17	9	theory	theory	NOUN
eurjchem-2135	17	10	structural	structural	ADJ
eurjchem-2135	17	11	activity	activity	NOUN
eurjchem-2135	17	12	relationship	relationship	NOUN
eurjchem-2135	17	13	cite	cite	VERB
eurjchem-2135	17	14	this	this	PRON
eurjchem-2135	17	15	:	:	PUNCT
eurjchem-2135	17	16	eur	eur	PROPN
eurjchem-2135	17	17	.	.	PUNCT
eurjchem-2135	18	1	j.	j.	PROPN
eurjchem-2135	18	2	chem	chem	PROPN
eurjchem-2135	18	3	.	.	PUNCT
eurjchem-2135	19	1	2021	2021	NUM
eurjchem-2135	19	2	,	,	PUNCT
eurjchem-2135	19	3	12(4	12(4	NUM
eurjchem-2135	19	4	)	)	PUNCT
eurjchem-2135	19	5	,	,	PUNCT
eurjchem-2135	19	6	412	412	NUM
eurjchem-2135	19	7	-	-	SYM
eurjchem-2135	19	8	418	418	NUM
eurjchem-2135	19	9	journal	journal	NOUN
eurjchem-2135	19	10	website	website	NOUN
eurjchem-2135	19	11	:	:	PUNCT
eurjchem-2135	19	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2135	19	13	1	1	X
eurjchem-2135	19	14	.	.	PUNCT
eurjchem-2135	19	15	introduction	introduction	NOUN
eurjchem-2135	19	16	benzodiazepines	benzodiazepine	NOUN
eurjchem-2135	19	17	(	(	PUNCT
eurjchem-2135	19	18	bzs	bzs	NOUN
eurjchem-2135	19	19	)	)	PUNCT
eurjchem-2135	19	20	are	be	AUX
eurjchem-2135	19	21	widely	widely	ADV
eurjchem-2135	19	22	used	use	VERB
eurjchem-2135	19	23	in	in	ADP
eurjchem-2135	19	24	the	the	DET
eurjchem-2135	19	25	treatment	treatment	NOUN
eurjchem-2135	19	26	of	of	ADP
eurjchem-2135	19	27	anxiety	anxiety	NOUN
eurjchem-2135	19	28	,	,	PUNCT
eurjchem-2135	19	29	insomnia	insomnia	NOUN
eurjchem-2135	19	30	,	,	PUNCT
eurjchem-2135	19	31	agitation	agitation	NOUN
eurjchem-2135	19	32	,	,	PUNCT
eurjchem-2135	19	33	seizures	seizure	NOUN
eurjchem-2135	19	34	,	,	PUNCT
eurjchem-2135	19	35	and	and	CCONJ
eurjchem-2135	19	36	muscle	muscle	NOUN
eurjchem-2135	19	37	spasms	spasm	NOUN
eurjchem-2135	19	38	.	.	PUNCT
eurjchem-2135	20	1	they	they	PRON
eurjchem-2135	20	2	enhance	enhance	VERB
eurjchem-2135	20	3	the	the	DET
eurjchem-2135	20	4	effect	effect	NOUN
eurjchem-2135	20	5	of	of	ADP
eurjchem-2135	20	6	the	the	DET
eurjchem-2135	20	7	neurotransmitter	neurotransmitter	NOUN
eurjchem-2135	20	8	gamma	gamma	NOUN
eurjchem-2135	20	9	-	-	PUNCT
eurjchem-2135	20	10	aminobutyric	aminobutyric	ADJ
eurjchem-2135	20	11	acid	acid	NOUN
eurjchem-2135	20	12	(	(	PUNCT
eurjchem-2135	20	13	gaba	gaba	PROPN
eurjchem-2135	20	14	)	)	PUNCT
eurjchem-2135	20	15	at	at	ADP
eurjchem-2135	20	16	the	the	DET
eurjchem-2135	20	17	gabaa	gabaa	NOUN
eurjchem-2135	20	18	receptor	receptor	NOUN
eurjchem-2135	21	1	[	[	X
eurjchem-2135	21	2	1	1	NUM
eurjchem-2135	21	3	-	-	SYM
eurjchem-2135	21	4	3	3	NUM
eurjchem-2135	21	5	]	]	PUNCT
eurjchem-2135	21	6	.	.	PUNCT
eurjchem-2135	22	1	gabaa	gabaa	NOUN
eurjchem-2135	22	2	receptors	receptor	NOUN
eurjchem-2135	22	3	are	be	AUX
eurjchem-2135	22	4	the	the	DET
eurjchem-2135	22	5	major	major	ADJ
eurjchem-2135	22	6	inhibitory	inhibitory	ADJ
eurjchem-2135	22	7	neurotransmitter	neurotransmitter	NOUN
eurjchem-2135	22	8	receptors	receptor	NOUN
eurjchem-2135	22	9	in	in	ADP
eurjchem-2135	22	10	mammalian	mammalian	ADJ
eurjchem-2135	22	11	brain	brain	NOUN
eurjchem-2135	22	12	.	.	PUNCT
eurjchem-2135	23	1	to	to	PART
eurjchem-2135	23	2	investigate	investigate	VERB
eurjchem-2135	23	3	the	the	DET
eurjchem-2135	23	4	mechanism	mechanism	NOUN
eurjchem-2135	23	5	of	of	ADP
eurjchem-2135	23	6	drug	drug	NOUN
eurjchem-2135	23	7	action	action	NOUN
eurjchem-2135	23	8	at	at	ADP
eurjchem-2135	23	9	gabaa	gabaa	NOUN
eurjchem-2135	23	10	receptors	receptor	NOUN
eurjchem-2135	23	11	,	,	PUNCT
eurjchem-2135	23	12	it	it	PRON
eurjchem-2135	23	13	is	be	AUX
eurjchem-2135	23	14	valuable	valuable	ADJ
eurjchem-2135	23	15	to	to	PART
eurjchem-2135	23	16	understand	understand	VERB
eurjchem-2135	23	17	the	the	DET
eurjchem-2135	23	18	precise	precise	ADJ
eurjchem-2135	23	19	location	location	NOUN
eurjchem-2135	23	20	of	of	ADP
eurjchem-2135	23	21	the	the	DET
eurjchem-2135	23	22	ligand	ligand	NOUN
eurjchem-2135	23	23	and	and	CCONJ
eurjchem-2135	23	24	identify	identify	VERB
eurjchem-2135	23	25	the	the	DET
eurjchem-2135	23	26	amino	amino	NOUN
eurjchem-2135	23	27	acid	acid	NOUN
eurjchem-2135	23	28	residues	residue	NOUN
eurjchem-2135	23	29	involved	involve	VERB
eurjchem-2135	23	30	in	in	ADP
eurjchem-2135	23	31	gaba	gaba	PROPN
eurjchem-2135	23	32	/	/	SYM
eurjchem-2135	23	33	bz	bz	PROPN
eurjchem-2135	23	34	binding	bind	VERB
eurjchem-2135	23	35	.	.	PUNCT
eurjchem-2135	24	1	gabaa	gabaa	NOUN
eurjchem-2135	24	2	receptors	receptor	NOUN
eurjchem-2135	24	3	are	be	AUX
eurjchem-2135	24	4	the	the	DET
eurjchem-2135	24	5	targets	target	NOUN
eurjchem-2135	24	6	of	of	ADP
eurjchem-2135	24	7	a	a	DET
eurjchem-2135	24	8	wide	wide	ADJ
eurjchem-2135	24	9	range	range	NOUN
eurjchem-2135	24	10	of	of	ADP
eurjchem-2135	24	11	drugs	drug	NOUN
eurjchem-2135	24	12	including	include	VERB
eurjchem-2135	24	13	benzodiazepines	benzodiazepine	NOUN
eurjchem-2135	24	14	[	[	X
eurjchem-2135	24	15	4	4	NUM
eurjchem-2135	24	16	]	]	PUNCT
eurjchem-2135	24	17	.	.	PUNCT
eurjchem-2135	25	1	gabaa	gabaa	NOUN
eurjchem-2135	25	2	receptors	receptor	NOUN
eurjchem-2135	25	3	also	also	ADV
eurjchem-2135	25	4	mediate	mediate	VERB
eurjchem-2135	25	5	alcohol	alcohol	NOUN
eurjchem-2135	25	6	inebriation	inebriation	NOUN
eurjchem-2135	25	7	and	and	CCONJ
eurjchem-2135	25	8	are	be	AUX
eurjchem-2135	25	9	targets	target	NOUN
eurjchem-2135	25	10	for	for	ADP
eurjchem-2135	25	11	endogenous	endogenous	ADJ
eurjchem-2135	25	12	modulators	modulator	NOUN
eurjchem-2135	25	13	such	such	ADJ
eurjchem-2135	25	14	as	as	ADP
eurjchem-2135	25	15	eurysternids	eurysternid	NOUN
eurjchem-2135	25	16	[	[	X
eurjchem-2135	25	17	5	5	NUM
eurjchem-2135	25	18	]	]	PUNCT
eurjchem-2135	25	19	.	.	PUNCT
eurjchem-2135	26	1	an	an	DET
eurjchem-2135	26	2	overdose	overdose	NOUN
eurjchem-2135	26	3	of	of	ADP
eurjchem-2135	26	4	benzodiazepines	benzodiazepine	NOUN
eurjchem-2135	26	5	may	may	AUX
eurjchem-2135	26	6	also	also	ADV
eurjchem-2135	26	7	cause	cause	VERB
eurjchem-2135	26	8	anterograde	anterograde	ADJ
eurjchem-2135	26	9	amnesia	amnesia	NOUN
eurjchem-2135	26	10	and	and	CCONJ
eurjchem-2135	26	11	dissociation	dissociation	NOUN
eurjchem-2135	27	1	[	[	X
eurjchem-2135	27	2	2,6	2,6	NUM
eurjchem-2135	27	3	]	]	PUNCT
eurjchem-2135	27	4	.	.	PUNCT
eurjchem-2135	28	1	in	in	ADP
eurjchem-2135	28	2	this	this	DET
eurjchem-2135	28	3	study	study	NOUN
eurjchem-2135	28	4	,	,	PUNCT
eurjchem-2135	28	5	some	some	DET
eurjchem-2135	28	6	selected	select	VERB
eurjchem-2135	28	7	benzodiazepine	benzodiazepine	NOUN
eurjchem-2135	28	8	drugs	drug	NOUN
eurjchem-2135	28	9	(	(	PUNCT
eurjchem-2135	28	10	figure	figure	NOUN
eurjchem-2135	28	11	1	1	NUM
eurjchem-2135	28	12	)	)	PUNCT
eurjchem-2135	28	13	were	be	AUX
eurjchem-2135	28	14	optimized	optimize	VERB
eurjchem-2135	28	15	to	to	PART
eurjchem-2135	28	16	investigate	investigate	VERB
eurjchem-2135	28	17	their	their	PRON
eurjchem-2135	28	18	biochemical	biochemical	ADJ
eurjchem-2135	28	19	behavior	behavior	NOUN
eurjchem-2135	28	20	based	base	VERB
eurjchem-2135	28	21	on	on	ADP
eurjchem-2135	28	22	the	the	DET
eurjchem-2135	28	23	quantum	quantum	ADJ
eurjchem-2135	28	24	mechanical	mechanical	ADJ
eurjchem-2135	28	25	approach	approach	NOUN
eurjchem-2135	28	26	.	.	PUNCT
eurjchem-2135	29	1	the	the	DET
eurjchem-2135	29	2	dipole	dipole	NOUN
eurjchem-2135	29	3	moment	moment	NOUN
eurjchem-2135	29	4	,	,	PUNCT
eurjchem-2135	29	5	free	free	ADJ
eurjchem-2135	29	6	energy	energy	NOUN
eurjchem-2135	29	7	,	,	PUNCT
eurjchem-2135	29	8	electrostatic	electrostatic	ADJ
eurjchem-2135	29	9	potential	potential	NOUN
eurjchem-2135	29	10	,	,	PUNCT
eurjchem-2135	29	11	chemical	chemical	ADJ
eurjchem-2135	29	12	hardness	hardness	NOUN
eurjchem-2135	29	13	,	,	PUNCT
eurjchem-2135	29	14	and	and	CCONJ
eurjchem-2135	29	15	softness	softness	NOUN
eurjchem-2135	29	16	were	be	AUX
eurjchem-2135	29	17	calculated	calculate	VERB
eurjchem-2135	29	18	.	.	PUNCT
eurjchem-2135	30	1	molecular	molecular	ADJ
eurjchem-2135	30	2	docking	docking	NOUN
eurjchem-2135	30	3	and	and	CCONJ
eurjchem-2135	30	4	nonbonding	nonbonding	NOUN
eurjchem-2135	30	5	interactions	interaction	NOUN
eurjchem-2135	30	6	have	have	AUX
eurjchem-2135	30	7	been	be	AUX
eurjchem-2135	30	8	calculated	calculate	VERB
eurjchem-2135	30	9	to	to	PART
eurjchem-2135	30	10	investigate	investigate	VERB
eurjchem-2135	30	11	the	the	DET
eurjchem-2135	30	12	binding	bind	VERB
eurjchem-2135	30	13	score	score	NOUN
eurjchem-2135	30	14	,	,	PUNCT
eurjchem-2135	30	15	mode(s	mode(s	NOUN
eurjchem-2135	30	16	)	)	PUNCT
eurjchem-2135	30	17	and	and	CCONJ
eurjchem-2135	30	18	interactions	interaction	NOUN
eurjchem-2135	30	19	between	between	ADP
eurjchem-2135	30	20	ligands	ligand	NOUN
eurjchem-2135	30	21	and	and	CCONJ
eurjchem-2135	30	22	amino	amino	NOUN
eurjchem-2135	30	23	acid	acid	NOUN
eurjchem-2135	30	24	residues	residue	NOUN
eurjchem-2135	30	25	of	of	ADP
eurjchem-2135	30	26	gabaa	gabaa	NOUN
eurjchem-2135	30	27	receptor	receptor	NOUN
eurjchem-2135	30	28	protein	protein	NOUN
eurjchem-2135	30	29	(	(	PUNCT
eurjchem-2135	30	30	4cof	4cof	NUM
eurjchem-2135	30	31	)	)	PUNCT
eurjchem-2135	30	32	.	.	PUNCT
eurjchem-2135	31	1	due	due	ADP
eurjchem-2135	31	2	to	to	ADP
eurjchem-2135	31	3	the	the	DET
eurjchem-2135	31	4	insertion	insertion	NOUN
eurjchem-2135	31	5	of	of	ADP
eurjchem-2135	31	6	different	different	ADJ
eurjchem-2135	31	7	functional	functional	ADJ
eurjchem-2135	31	8	groups	group	NOUN
eurjchem-2135	31	9	at	at	ADP
eurjchem-2135	31	10	the	the	DET
eurjchem-2135	31	11	different	different	ADJ
eurjchem-2135	31	12	positions	position	NOUN
eurjchem-2135	31	13	of	of	ADP
eurjchem-2135	31	14	the	the	DET
eurjchem-2135	31	15	the	the	DET
eurjchem-2135	31	16	core	core	NOUN
eurjchem-2135	31	17	structure	structure	NOUN
eurjchem-2135	31	18	,	,	PUNCT
eurjchem-2135	31	19	significant	significant	ADJ
eurjchem-2135	31	20	changes	change	NOUN
eurjchem-2135	31	21	in	in	ADP
eurjchem-2135	31	22	thermodynamic	thermodynamic	ADJ
eurjchem-2135	31	23	properties	property	NOUN
eurjchem-2135	31	24	,	,	PUNCT
eurjchem-2135	31	25	chemical	chemical	NOUN
eurjchem-2135	31	26	stability	stability	NOUN
eurjchem-2135	31	27	,	,	PUNCT
eurjchem-2135	31	28	reactivity	reactivity	NOUN
eurjchem-2135	31	29	,	,	PUNCT
eurjchem-2135	31	30	binding	bind	VERB
eurjchem-2135	31	31	affinity	affinity	NOUN
eurjchem-2135	31	32	,	,	PUNCT
eurjchem-2135	31	33	interactions	interaction	NOUN
eurjchem-2135	31	34	,	,	PUNCT
eurjchem-2135	31	35	and	and	CCONJ
eurjchem-2135	31	36	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-2135	31	37	properties	property	NOUN
eurjchem-2135	31	38	were	be	AUX
eurjchem-2135	31	39	observed	observe	VERB
eurjchem-2135	31	40	,	,	PUNCT
eurjchem-2135	31	41	which	which	PRON
eurjchem-2135	31	42	can	can	AUX
eurjchem-2135	31	43	help	help	VERB
eurjchem-2135	31	44	to	to	PART
eurjchem-2135	31	45	understand	understand	VERB
eurjchem-2135	31	46	comparative	comparative	ADJ
eurjchem-2135	31	47	studies	study	NOUN
eurjchem-2135	31	48	among	among	ADP
eurjchem-2135	31	49	some	some	DET
eurjchem-2135	31	50	bz	bz	PROPN
eurjchem-2135	31	51	drugs	drug	NOUN
eurjchem-2135	31	52	,	,	PUNCT
eurjchem-2135	31	53	e.g.	e.g.	ADV
eurjchem-2135	31	54	,	,	PUNCT
eurjchem-2135	31	55	alprazolam	alprazolam	PROPN
eurjchem-2135	31	56	(	(	PUNCT
eurjchem-2135	31	57	al	al	PROPN
eurjchem-2135	31	58	)	)	PUNCT
eurjchem-2135	31	59	,	,	PUNCT
eurjchem-2135	31	60	bromazepam	bromazepam	NOUN
eurjchem-2135	31	61	(	(	PUNCT
eurjchem-2135	31	62	brz	brz	NOUN
eurjchem-2135	31	63	)	)	PUNCT
eurjchem-2135	31	64	,	,	PUNCT
eurjchem-2135	31	65	diazepam	diazepam	NOUN
eurjchem-2135	31	66	(	(	PUNCT
eurjchem-2135	31	67	dz	dz	PROPN
eurjchem-2135	31	68	)	)	PUNCT
eurjchem-2135	31	69	,	,	PUNCT
eurjchem-2135	31	70	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	31	71	(	(	PUNCT
eurjchem-2135	31	72	fz	fz	NOUN
eurjchem-2135	31	73	)	)	PUNCT
eurjchem-2135	31	74	,	,	PUNCT
eurjchem-2135	31	75	and	and	CCONJ
eurjchem-2135	31	76	lorazepam	lorazepam	PROPN
eurjchem-2135	31	77	(	(	PUNCT
eurjchem-2135	31	78	lz	lz	PROPN
eurjchem-2135	31	79	)	)	PUNCT
eurjchem-2135	31	80	.	.	PUNCT
eurjchem-2135	32	1	2	2	X
eurjchem-2135	32	2	.	.	X
eurjchem-2135	32	3	computational	computational	ADJ
eurjchem-2135	32	4	methods	method	NOUN
eurjchem-2135	32	5	2.1	2.1	NUM
eurjchem-2135	32	6	.	.	PUNCT
eurjchem-2135	33	1	geometry	geometry	NOUN
eurjchem-2135	33	2	optimization	optimization	NOUN
eurjchem-2135	33	3	physicochemical	physicochemical	ADJ
eurjchem-2135	33	4	properties	property	NOUN
eurjchem-2135	33	5	help	help	VERB
eurjchem-2135	33	6	us	we	PRON
eurjchem-2135	33	7	to	to	PART
eurjchem-2135	33	8	understand	understand	VERB
eurjchem-2135	33	9	the	the	DET
eurjchem-2135	33	10	chemical	chemical	ADJ
eurjchem-2135	33	11	behavior	behavior	NOUN
eurjchem-2135	33	12	of	of	ADP
eurjchem-2135	33	13	any	any	DET
eurjchem-2135	33	14	compound	compound	NOUN
eurjchem-2135	33	15	.	.	PUNCT
eurjchem-2135	34	1	computational	computational	ADJ
eurjchem-2135	34	2	chemistry	chemistry	NOUN
eurjchem-2135	34	3	methods	method	NOUN
eurjchem-2135	34	4	were	be	AUX
eurjchem-2135	34	5	used	use	VERB
eurjchem-2135	34	6	to	to	PART
eurjchem-2135	34	7	calculate	calculate	VERB
eurjchem-2135	34	8	the	the	DET
eurjchem-2135	34	9	properties	property	NOUN
eurjchem-2135	34	10	of	of	ADP
eurjchem-2135	34	11	the	the	DET
eurjchem-2135	34	12	thermodynamic	thermodynamic	ADJ
eurjchem-2135	34	13	,	,	PUNCT
eurjchem-2135	34	14	molecular	molecular	ADJ
eurjchem-2135	34	15	orbital	orbital	NOUN
eurjchem-2135	34	16	,	,	PUNCT
eurjchem-2135	34	17	dipole	dipole	NOUN
eurjchem-2135	34	18	moment	moment	NOUN
eurjchem-2135	34	19	,	,	PUNCT
eurjchem-2135	34	20	and	and	CCONJ
eurjchem-2135	34	21	molecular	molecular	ADJ
eurjchem-2135	34	22	electrostatic	electrostatic	ADJ
eurjchem-2135	34	23	potential	potential	NOUN
eurjchem-2135	34	24	to	to	PART
eurjchem-2135	34	25	predict	predict	VERB
eurjchem-2135	34	26	their	their	PRON
eurjchem-2135	34	27	stability	stability	NOUN
eurjchem-2135	34	28	,	,	PUNCT
eurjchem-2135	34	29	reactivity	reactivity	NOUN
eurjchem-2135	34	30	,	,	PUNCT
eurjchem-2135	34	31	and	and	CCONJ
eurjchem-2135	34	32	molecular	molecular	ADJ
eurjchem-2135	34	33	recognition	recognition	NOUN
eurjchem-2135	34	34	[	[	X
eurjchem-2135	34	35	7	7	NUM
eurjchem-2135	34	36	]	]	PUNCT
eurjchem-2135	34	37	.	.	PUNCT
eurjchem-2135	35	1	initial	initial	ADJ
eurjchem-2135	35	2	geometries	geometry	NOUN
eurjchem-2135	35	3	of	of	ADP
eurjchem-2135	35	4	all	all	DET
eurjchem-2135	35	5	drugs	drug	NOUN
eurjchem-2135	35	6	were	be	AUX
eurjchem-2135	35	7	collected	collect	VERB
eurjchem-2135	35	8	from	from	ADP
eurjchem-2135	35	9	the	the	DET
eurjchem-2135	35	10	chemspider	chemspider	NOUN
eurjchem-2135	35	11	database	database	NOUN
eurjchem-2135	35	12	[	[	X
eurjchem-2135	35	13	8	8	NUM
eurjchem-2135	35	14	]	]	PUNCT
eurjchem-2135	35	15	.	.	PUNCT
eurjchem-2135	36	1	the	the	DET
eurjchem-2135	36	2	gaussian	gaussian	NOUN
eurjchem-2135	36	3	09	09	NUM
eurjchem-2135	36	4	(	(	PUNCT
eurjchem-2135	36	5	revision	revision	NOUN
eurjchem-2135	36	6	d.01	d.01	NOUN
eurjchem-2135	36	7	)	)	PUNCT
eurjchem-2135	36	8	program	program	NOUN
eurjchem-2135	36	9	package	package	NOUN
eurjchem-2135	36	10	was	be	AUX
eurjchem-2135	36	11	utilized	utilize	VERB
eurjchem-2135	36	12	for	for	ADP
eurjchem-2135	36	13	geometry	geometry	NOUN
eurjchem-2135	36	14	optimization	optimization	NOUN
eurjchem-2135	36	15	[	[	X
eurjchem-2135	36	16	9	9	NUM
eurjchem-2135	36	17	]	]	PUNCT
eurjchem-2135	36	18	.	.	PUNCT
eurjchem-2135	37	1	abstract	abstract	ADJ
eurjchem-2135	37	2	research	research	NOUN
eurjchem-2135	37	3	article	article	NOUN
eurjchem-2135	37	4	keywords	keyword	VERB
eurjchem-2135	37	5	https://dx.doi.org/10.5155/eurjchem.12.4.412-418.2135	https://dx.doi.org/10.5155/eurjchem.12.4.412-418.2135	NOUN
eurjchem-2135	37	6	https://www.eurjchem.com/	https://www.eurjchem.com/	VERB
eurjchem-2135	37	7	https://dx.doi.org/10.5155/eurjchem.12.4.412-418.2135	https://dx.doi.org/10.5155/eurjchem.12.4.412-418.2135	NOUN
eurjchem-2135	37	8	mailto:monircu92@gmail.com	mailto:monircu92@gmail.com	PROPN
eurjchem-2135	37	9	mailto:amrinahsan63@gmail.com	mailto:amrinahsan63@gmail.com	VERB
eurjchem-2135	37	10	mailto:mnuchem@cu.ac.bd	mailto:mnuchem@cu.ac.bd	PROPN
eurjchem-2135	37	11	mailto:mnuchem@cu.ac.bd	mailto:mnuchem@cu.ac.bd	ADJ
eurjchem-2135	37	12	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2135	37	13	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.4.412-418.2135&domain=pdf&date_stamp=2021-12-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.4.412-418.2135&domain=pdf&date_stamp=2021-12-31	PROPN
eurjchem-2135	37	14	uzzaman	uzzaman	NOUN
eurjchem-2135	37	15	et	et	PROPN
eurjchem-2135	37	16	al	al	PROPN
eurjchem-2135	37	17	.	.	PUNCT
eurjchem-2135	37	18	/	/	SYM
eurjchem-2135	37	19	european	european	PROPN
eurjchem-2135	37	20	journal	journal	PROPN
eurjchem-2135	37	21	of	of	ADP
eurjchem-2135	37	22	chemistry	chemistry	NOUN
eurjchem-2135	37	23	12	12	NUM
eurjchem-2135	37	24	(	(	PUNCT
eurjchem-2135	37	25	4	4	NUM
eurjchem-2135	37	26	)	)	PUNCT
eurjchem-2135	37	27	(	(	PUNCT
eurjchem-2135	37	28	2021	2021	NUM
eurjchem-2135	37	29	)	)	PUNCT
eurjchem-2135	37	30	412	412	NUM
eurjchem-2135	37	31	-	-	SYM
eurjchem-2135	37	32	418	418	NUM
eurjchem-2135	37	33	413	413	NUM
eurjchem-2135	37	34	2021	2021	NUM
eurjchem-2135	37	35	–	–	PUNCT
eurjchem-2135	37	36	european	european	ADJ
eurjchem-2135	37	37	journal	journal	NOUN
eurjchem-2135	37	38	of	of	ADP
eurjchem-2135	37	39	chemistry	chemistry	NOUN
eurjchem-2135	37	40	–	–	PUNCT
eurjchem-2135	37	41	cc	cc	NOUN
eurjchem-2135	37	42	by	by	ADP
eurjchem-2135	37	43	nc	nc	PROPN
eurjchem-2135	37	44	–	–	PUNCT
eurjchem-2135	37	45	doi	doi	PROPN
eurjchem-2135	37	46	:	:	PUNCT
eurjchem-2135	37	47	10.5155	10.5155	NUM
eurjchem-2135	37	48	/	/	SYM
eurjchem-2135	37	49	eurjchem.12.4.412	eurjchem.12.4.412	NOUN
eurjchem-2135	37	50	-	-	PUNCT
eurjchem-2135	37	51	418.2135	418.2135	NUM
eurjchem-2135	37	52	table	table	NOUN
eurjchem-2135	37	53	1	1	NUM
eurjchem-2135	37	54	.	.	PUNCT
eurjchem-2135	37	55	molecular	molecular	ADJ
eurjchem-2135	37	56	formula	formula	NOUN
eurjchem-2135	37	57	,	,	PUNCT
eurjchem-2135	37	58	electronic	electronic	ADJ
eurjchem-2135	37	59	energy	energy	NOUN
eurjchem-2135	37	60	,	,	PUNCT
eurjchem-2135	37	61	enthalpy	enthalpy	NOUN
eurjchem-2135	37	62	,	,	PUNCT
eurjchem-2135	37	63	gibb	gibb	PROPN
eurjchem-2135	37	64	’s	’s	PART
eurjchem-2135	37	65	free	free	ADJ
eurjchem-2135	37	66	energy	energy	NOUN
eurjchem-2135	37	67	(	(	PUNCT
eurjchem-2135	37	68	hartree	hartree	ADJ
eurjchem-2135	37	69	)	)	PUNCT
eurjchem-2135	37	70	and	and	CCONJ
eurjchem-2135	37	71	dipole	dipole	NOUN
eurjchem-2135	37	72	moment	moment	NOUN
eurjchem-2135	37	73	(	(	PUNCT
eurjchem-2135	37	74	debye	debye	ADJ
eurjchem-2135	37	75	)	)	PUNCT
eurjchem-2135	37	76	of	of	ADP
eurjchem-2135	37	77	benzodiapene	benzodiapene	ADJ
eurjchem-2135	37	78	derivatives	derivative	NOUN
eurjchem-2135	37	79	.	.	PUNCT
eurjchem-2135	38	1	drugs	drug	NOUN
eurjchem-2135	38	2	molecular	molecular	ADJ
eurjchem-2135	38	3	formula	formula	NOUN
eurjchem-2135	38	4	electronic	electronic	ADJ
eurjchem-2135	38	5	energy	energy	NOUN
eurjchem-2135	38	6	enthalpy	enthalpy	NOUN
eurjchem-2135	38	7	gibbs	gibbs	PROPN
eurjchem-2135	38	8	free	free	ADJ
eurjchem-2135	38	9	energy	energy	NOUN
eurjchem-2135	38	10	dipole	dipole	NOUN
eurjchem-2135	38	11	moment	moment	NOUN
eurjchem-2135	38	12	alprazolam	alprazolam	PROPN
eurjchem-2135	39	1	c17h13cln4	c17h13cln4	PROPN
eurjchem-2135	39	2	-1327.49	-1327.49	PROPN
eurjchem-2135	39	3	-1327.49	-1327.49	PROPN
eurjchem-2135	39	4	-1327	-1327	VERB
eurjchem-2135	39	5	.	.	PUNCT
eurjchem-2135	40	1	56	56	NUM
eurjchem-2135	40	2	4.72	4.72	NUM
eurjchem-2135	40	3	bromazepam	bromazepam	NOUN
eurjchem-2135	40	4	c14h10brn3o	c14h10brn3o	PROPN
eurjchem-2135	40	5	-3350.53	-3350.53	PROPN
eurjchem-2135	40	6	-3350.53	-3350.53	NOUN
eurjchem-2135	40	7	-3350.60	-3350.60	PROPN
eurjchem-2135	40	8	4.71	4.71	NUM
eurjchem-2135	40	9	diazepam	diazepam	NOUN
eurjchem-2135	40	10	c16h13cln2o	c16h13cln2o	VERB
eurjchem-2135	40	11	-1255.56	-1255.56	VERB
eurjchem-2135	40	12	-1255.55	-1255.55	NUM
eurjchem-2135	40	13	-1255.63	-1255.63	PROPN
eurjchem-2135	40	14	2.35	2.35	NUM
eurjchem-2135	40	15	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	40	16	c16h12fn3o3	c16h12fn3o3	ADP
eurjchem-2135	40	17	-1106.32	-1106.32	PROPN
eurjchem-2135	40	18	-1106.32	-1106.32	NUM
eurjchem-2135	40	19	-1106.38	-1106.38	PROPN
eurjchem-2135	40	20	3.61	3.61	NUM
eurjchem-2135	40	21	lorazepam	lorazepam	NOUN
eurjchem-2135	40	22	c15h10cl2n2o2	c15h10cl2n2o2	NOUN
eurjchem-2135	40	23	-1748.69	-1748.69	PROPN
eurjchem-2135	41	1	-1748.68	-1748.68	PROPN
eurjchem-2135	42	1	-1748.75	-1748.75	PROPN
eurjchem-2135	42	2	5.82	5.82	NUM
eurjchem-2135	42	3	n	n	NOUN
eurjchem-2135	42	4	n	n	PRON
eurjchem-2135	42	5	cl	cl	NOUN
eurjchem-2135	42	6	n	n	CCONJ
eurjchem-2135	42	7	n	n	CCONJ
eurjchem-2135	42	8	n	n	CCONJ
eurjchem-2135	42	9	n	n	CCONJ
eurjchem-2135	42	10	n	n	NOUN
eurjchem-2135	42	11	br	br	NOUN
eurjchem-2135	42	12	h	h	NOUN
eurjchem-2135	42	13	o	o	NOUN
eurjchem-2135	42	14	n	n	CCONJ
eurjchem-2135	42	15	n	n	ADV
eurjchem-2135	42	16	cl	cl	NOUN
eurjchem-2135	43	1	o	o	X
eurjchem-2135	43	2	alprazolam	alprazolam	PROPN
eurjchem-2135	43	3	bromazepam	bromazepam	PROPN
eurjchem-2135	43	4	diazepam	diazepam	VERB
eurjchem-2135	43	5	n	n	CCONJ
eurjchem-2135	43	6	n	n	PRON
eurjchem-2135	43	7	n2o	n2o	NOUN
eurjchem-2135	43	8	o	o	X
eurjchem-2135	43	9	f	f	PROPN
eurjchem-2135	43	10	n	n	CCONJ
eurjchem-2135	43	11	n	n	ADV
eurjchem-2135	43	12	cl	cl	NOUN
eurjchem-2135	44	1	h	h	NOUN
eurjchem-2135	45	1	o	o	NOUN
eurjchem-2135	45	2	cl	cl	INTJ
eurjchem-2135	46	1	oh	oh	INTJ
eurjchem-2135	46	2	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	46	3	lorazepam	lorazepam	NOUN
eurjchem-2135	46	4	figure	figure	NOUN
eurjchem-2135	46	5	1	1	NUM
eurjchem-2135	46	6	.	.	PUNCT
eurjchem-2135	46	7	chemical	chemical	ADJ
eurjchem-2135	46	8	structure	structure	NOUN
eurjchem-2135	46	9	of	of	ADP
eurjchem-2135	46	10	selected	select	VERB
eurjchem-2135	46	11	benzodiazepine	benzodiazepine	NOUN
eurjchem-2135	46	12	drugs	drug	NOUN
eurjchem-2135	46	13	.	.	PUNCT
eurjchem-2135	47	1	density	density	NOUN
eurjchem-2135	47	2	functional	functional	ADJ
eurjchem-2135	47	3	theory	theory	NOUN
eurjchem-2135	47	4	(	(	PUNCT
eurjchem-2135	47	5	dft	dft	NOUN
eurjchem-2135	47	6	)	)	PUNCT
eurjchem-2135	47	7	along	along	ADP
eurjchem-2135	47	8	with	with	ADP
eurjchem-2135	47	9	becke	becke	NOUN
eurjchem-2135	47	10	’s	’s	PART
eurjchem-2135	47	11	(	(	PUNCT
eurjchem-2135	47	12	b	b	NOUN
eurjchem-2135	47	13	)	)	PUNCT
eurjchem-2135	47	14	[	[	X
eurjchem-2135	47	15	10	10	NUM
eurjchem-2135	47	16	]	]	SYM
eurjchem-2135	47	17	three	three	NUM
eurjchem-2135	47	18	-	-	PUNCT
eurjchem-2135	47	19	parameter	parameter	NOUN
eurjchem-2135	47	20	hybrid	hybrid	NOUN
eurjchem-2135	47	21	model	model	NOUN
eurjchem-2135	47	22	,	,	PUNCT
eurjchem-2135	47	23	lee	lee	PROPN
eurjchem-2135	47	24	,	,	PUNCT
eurjchem-2135	47	25	yang	yang	PROPN
eurjchem-2135	47	26	and	and	CCONJ
eurjchem-2135	47	27	parr	parr	PROPN
eurjchem-2135	47	28	’s	’s	PART
eurjchem-2135	47	29	(	(	PUNCT
eurjchem-2135	47	30	lyp	lyp	PROPN
eurjchem-2135	47	31	)	)	PUNCT
eurjchem-2135	47	32	correlation	correlation	NOUN
eurjchem-2135	47	33	functional	functional	ADJ
eurjchem-2135	48	1	[	[	X
eurjchem-2135	48	2	11	11	NUM
eurjchem-2135	48	3	]	]	PUNCT
eurjchem-2135	48	4	under	under	ADP
eurjchem-2135	48	5	pople	pople	PROPN
eurjchem-2135	48	6	’s	’s	PART
eurjchem-2135	48	7	6	6	NUM
eurjchem-2135	48	8	-	-	SYM
eurjchem-2135	48	9	311g+(d	311g+(d	NUM
eurjchem-2135	48	10	,	,	PUNCT
eurjchem-2135	48	11	p	p	NOUN
eurjchem-2135	48	12	)	)	PUNCT
eurjchem-2135	48	13	basis	basis	NOUN
eurjchem-2135	48	14	set	set	NOUN
eurjchem-2135	48	15	which	which	PRON
eurjchem-2135	48	16	has	have	AUX
eurjchem-2135	48	17	amply	amply	ADV
eurjchem-2135	48	18	been	be	AUX
eurjchem-2135	48	19	proven	prove	VERB
eurjchem-2135	48	20	to	to	PART
eurjchem-2135	48	21	give	give	VERB
eurjchem-2135	48	22	very	very	ADV
eurjchem-2135	48	23	good	good	ADJ
eurjchem-2135	48	24	ground	ground	NOUN
eurjchem-2135	48	25	state	state	NOUN
eurjchem-2135	48	26	geometries	geometry	NOUN
eurjchem-2135	48	27	[	[	X
eurjchem-2135	48	28	12	12	NUM
eurjchem-2135	48	29	]	]	PUNCT
eurjchem-2135	48	30	.	.	PUNCT
eurjchem-2135	49	1	the	the	DET
eurjchem-2135	49	2	initial	initial	ADJ
eurjchem-2135	49	3	optimization	optimization	NOUN
eurjchem-2135	49	4	of	of	ADP
eurjchem-2135	49	5	all	all	DET
eurjchem-2135	49	6	drugs	drug	NOUN
eurjchem-2135	49	7	was	be	AUX
eurjchem-2135	49	8	performed	perform	VERB
eurjchem-2135	49	9	in	in	ADP
eurjchem-2135	49	10	the	the	DET
eurjchem-2135	49	11	gas	gas	NOUN
eurjchem-2135	49	12	phase	phase	NOUN
eurjchem-2135	49	13	.	.	PUNCT
eurjchem-2135	50	1	frontier	frontier	NOUN
eurjchem-2135	50	2	molecular	molecular	ADJ
eurjchem-2135	50	3	orbital	orbital	ADJ
eurjchem-2135	50	4	features	feature	NOUN
eurjchem-2135	50	5	,	,	PUNCT
eurjchem-2135	50	6	the	the	DET
eurjchem-2135	50	7	highest	high	ADJ
eurjchem-2135	50	8	occupied	occupy	VERB
eurjchem-2135	50	9	molecular	molecular	ADJ
eurjchem-2135	50	10	orbital	orbital	ADJ
eurjchem-2135	50	11	(	(	PUNCT
eurjchem-2135	50	12	homo	homo	NOUN
eurjchem-2135	50	13	)	)	PUNCT
eurjchem-2135	50	14	,	,	PUNCT
eurjchem-2135	50	15	and	and	CCONJ
eurjchem-2135	50	16	the	the	DET
eurjchem-2135	50	17	lowest	low	ADJ
eurjchem-2135	50	18	unoccupied	unoccupied	ADJ
eurjchem-2135	50	19	molecular	molecular	ADJ
eurjchem-2135	50	20	orbital	orbital	ADJ
eurjchem-2135	50	21	(	(	PUNCT
eurjchem-2135	50	22	lumo	lumo	NOUN
eurjchem-2135	50	23	)	)	PUNCT
eurjchem-2135	50	24	were	be	AUX
eurjchem-2135	50	25	calculated	calculate	VERB
eurjchem-2135	50	26	at	at	ADP
eurjchem-2135	50	27	the	the	DET
eurjchem-2135	50	28	same	same	ADJ
eurjchem-2135	50	29	level	level	NOUN
eurjchem-2135	50	30	of	of	ADP
eurjchem-2135	50	31	theory	theory	NOUN
eurjchem-2135	50	32	.	.	PUNCT
eurjchem-2135	51	1	for	for	ADP
eurjchem-2135	51	2	each	each	PRON
eurjchem-2135	51	3	of	of	ADP
eurjchem-2135	51	4	the	the	DET
eurjchem-2135	51	5	drugs	drug	NOUN
eurjchem-2135	51	6	,	,	PUNCT
eurjchem-2135	51	7	hardness	hardness	X
eurjchem-2135	51	8	(	(	PUNCT
eurjchem-2135	51	9	η	η	NOUN
eurjchem-2135	51	10	)	)	PUNCT
eurjchem-2135	51	11	,	,	PUNCT
eurjchem-2135	51	12	softness	softness	NOUN
eurjchem-2135	51	13	(	(	PUNCT
eurjchem-2135	51	14	s	s	NOUN
eurjchem-2135	51	15	)	)	PUNCT
eurjchem-2135	51	16	,	,	PUNCT
eurjchem-2135	51	17	and	and	CCONJ
eurjchem-2135	51	18	chemical	chemical	NOUN
eurjchem-2135	51	19	potential	potential	NOUN
eurjchem-2135	51	20	(	(	PUNCT
eurjchem-2135	51	21	μ	μ	NOUN
eurjchem-2135	51	22	)	)	PUNCT
eurjchem-2135	51	23	were	be	AUX
eurjchem-2135	51	24	calculated	calculate	VERB
eurjchem-2135	51	25	utilizing	utilize	VERB
eurjchem-2135	51	26	ehomo	ehomo	NOUN
eurjchem-2135	51	27	and	and	CCONJ
eurjchem-2135	51	28	elumo	elumo	VERB
eurjchem-2135	51	29	as	as	SCONJ
eurjchem-2135	51	30	reported	report	VERB
eurjchem-2135	51	31	[	[	X
eurjchem-2135	51	32	13	13	NUM
eurjchem-2135	51	33	]	]	PUNCT
eurjchem-2135	51	34	considering	consider	VERB
eurjchem-2135	51	35	parr	parr	NOUN
eurjchem-2135	51	36	and	and	CCONJ
eurjchem-2135	51	37	pearson	pearson	PROPN
eurjchem-2135	51	38	interpretation	interpretation	NOUN
eurjchem-2135	52	1	[	[	X
eurjchem-2135	52	2	14,15	14,15	NUM
eurjchem-2135	52	3	]	]	PUNCT
eurjchem-2135	52	4	of	of	ADP
eurjchem-2135	52	5	the	the	DET
eurjchem-2135	52	6	dft	dft	PROPN
eurjchem-2135	52	7	and	and	CCONJ
eurjchem-2135	52	8	the	the	DET
eurjchem-2135	52	9	koopmans	koopmans	PROPN
eurjchem-2135	52	10	theorem	theorem	VERB
eurjchem-2135	52	11	[	[	X
eurjchem-2135	52	12	16	16	NUM
eurjchem-2135	52	13	]	]	PUNCT
eurjchem-2135	52	14	on	on	ADP
eurjchem-2135	52	15	the	the	DET
eurjchem-2135	52	16	correlation	correlation	NOUN
eurjchem-2135	52	17	of	of	ADP
eurjchem-2135	52	18	ionization	ionization	NOUN
eurjchem-2135	52	19	potential	potential	NOUN
eurjchem-2135	52	20	(	(	PUNCT
eurjchem-2135	52	21	i	i	NOUN
eurjchem-2135	52	22	)	)	PUNCT
eurjchem-2135	52	23	and	and	CCONJ
eurjchem-2135	52	24	electron	electron	NOUN
eurjchem-2135	52	25	affinities	affinity	NOUN
eurjchem-2135	52	26	(	(	PUNCT
eurjchem-2135	52	27	e	e	NOUN
eurjchem-2135	52	28	)	)	PUNCT
eurjchem-2135	52	29	with	with	ADP
eurjchem-2135	52	30	homo	homo	NOUN
eurjchem-2135	52	31	and	and	CCONJ
eurjchem-2135	52	32	lumo	lumo	NOUN
eurjchem-2135	52	33	energy	energy	NOUN
eurjchem-2135	52	34	(	(	PUNCT
eurjchem-2135	52	35	𝜀𝜀	𝜀𝜀	NOUN
eurjchem-2135	52	36	)	)	PUNCT
eurjchem-2135	52	37	as	as	SCONJ
eurjchem-2135	52	38	follows	follow	VERB
eurjchem-2135	52	39	;	;	PUNCT
eurjchem-2135	52	40	η	η	PROPN
eurjchem-2135	52	41	=	=	PUNCT
eurjchem-2135	53	1	[	[	X
eurjchem-2135	53	2	𝐸𝐸lumo−𝐸𝐸homo	𝐸𝐸lumo−𝐸𝐸homo	X
eurjchem-2135	53	3	]	]	X
eurjchem-2135	53	4	2	2	NUM
eurjchem-2135	53	5	;	;	PUNCT
eurjchem-2135	53	6	μ	μ	PROPN
eurjchem-2135	53	7	=	=	PUNCT
eurjchem-2135	54	1	[	[	X
eurjchem-2135	54	2	𝐸𝐸lumo+𝐸𝐸homo	𝐸𝐸lumo+𝐸𝐸homo	ADP
eurjchem-2135	54	3	]	]	X
eurjchem-2135	54	4	2	2	NUM
eurjchem-2135	54	5	;	;	PUNCT
eurjchem-2135	54	6	s	s	X
eurjchem-2135	54	7	=	=	SYM
eurjchem-2135	54	8	1	1	NUM
eurjchem-2135	54	9	η	η	X
eurjchem-2135	54	10	(	(	PUNCT
eurjchem-2135	54	11	1	1	NUM
eurjchem-2135	54	12	)	)	PUNCT
eurjchem-2135	54	13	2.2	2.2	NUM
eurjchem-2135	54	14	.	.	PUNCT
eurjchem-2135	55	1	protein	protein	NOUN
eurjchem-2135	55	2	preparation	preparation	NOUN
eurjchem-2135	55	3	,	,	PUNCT
eurjchem-2135	55	4	docking	docking	NOUN
eurjchem-2135	55	5	,	,	PUNCT
eurjchem-2135	55	6	and	and	CCONJ
eurjchem-2135	55	7	analysis	analysis	NOUN
eurjchem-2135	55	8	the	the	DET
eurjchem-2135	55	9	3d	3d	PROPN
eurjchem-2135	55	10	crystal	crystal	NOUN
eurjchem-2135	55	11	structure	structure	NOUN
eurjchem-2135	55	12	of	of	ADP
eurjchem-2135	55	13	the	the	DET
eurjchem-2135	55	14	human	human	ADJ
eurjchem-2135	55	15	gamma	gamma	NOUN
eurjchem-2135	55	16	-	-	PUNCT
eurjchem-2135	55	17	aminobutyric	aminobutyric	ADJ
eurjchem-2135	55	18	acid	acid	NOUN
eurjchem-2135	55	19	receptor	receptor	NOUN
eurjchem-2135	55	20	protein	protein	NOUN
eurjchem-2135	55	21	(	(	PUNCT
eurjchem-2135	55	22	pdb	pdb	PROPN
eurjchem-2135	55	23	i	i	PROPN
eurjchem-2135	55	24	d	d	PROPN
eurjchem-2135	55	25	:	:	PUNCT
eurjchem-2135	55	26	4cof	4cof	X
eurjchem-2135	55	27	)	)	PUNCT
eurjchem-2135	55	28	was	be	AUX
eurjchem-2135	55	29	collected	collect	VERB
eurjchem-2135	55	30	from	from	ADP
eurjchem-2135	55	31	the	the	DET
eurjchem-2135	55	32	online	online	ADJ
eurjchem-2135	55	33	protein	protein	NOUN
eurjchem-2135	55	34	data	data	PROPN
eurjchem-2135	55	35	bank	bank	PROPN
eurjchem-2135	55	36	(	(	PUNCT
eurjchem-2135	55	37	pdb	pdb	NOUN
eurjchem-2135	55	38	)	)	PUNCT
eurjchem-2135	55	39	database	database	NOUN
eurjchem-2135	56	1	[	[	X
eurjchem-2135	56	2	17	17	NUM
eurjchem-2135	56	3	]	]	PUNCT
eurjchem-2135	56	4	.	.	PUNCT
eurjchem-2135	57	1	to	to	PART
eurjchem-2135	57	2	overcome	overcome	VERB
eurjchem-2135	57	3	improper	improper	ADJ
eurjchem-2135	57	4	bond	bond	NOUN
eurjchem-2135	57	5	order	order	NOUN
eurjchem-2135	57	6	,	,	PUNCT
eurjchem-2135	57	7	chain	chain	NOUN
eurjchem-2135	57	8	geometry	geometry	NOUN
eurjchem-2135	57	9	disorder	disorder	NOUN
eurjchem-2135	57	10	,	,	PUNCT
eurjchem-2135	57	11	missing	miss	VERB
eurjchem-2135	57	12	hydrogen	hydrogen	NOUN
eurjchem-2135	57	13	atoms	atom	NOUN
eurjchem-2135	57	14	;	;	PUNCT
eurjchem-2135	57	15	the	the	DET
eurjchem-2135	57	16	structure	structure	NOUN
eurjchem-2135	57	17	was	be	AUX
eurjchem-2135	57	18	checked	check	VERB
eurjchem-2135	57	19	and	and	CCONJ
eurjchem-2135	57	20	prepared	prepare	VERB
eurjchem-2135	57	21	by	by	ADP
eurjchem-2135	57	22	pymol	pymol	PROPN
eurjchem-2135	57	23	(	(	PUNCT
eurjchem-2135	57	24	educational	educational	ADJ
eurjchem-2135	57	25	version	version	NOUN
eurjchem-2135	57	26	1.7.4	1.7.4	NUM
eurjchem-2135	57	27	)	)	PUNCT
eurjchem-2135	57	28	,	,	PUNCT
eurjchem-2135	57	29	and	and	CCONJ
eurjchem-2135	57	30	swiss	swiss	ADJ
eurjchem-2135	57	31	-	-	PUNCT
eurjchem-2135	57	32	pdb	pdb	NOUN
eurjchem-2135	57	33	viewer	viewer	PROPN
eurjchem-2135	57	34	software	software	PROPN
eurjchem-2135	57	35	(	(	PUNCT
eurjchem-2135	57	36	version	version	NOUN
eurjchem-2135	57	37	4.1.0	4.1.0	NUM
eurjchem-2135	57	38	)	)	PUNCT
eurjchem-2135	57	39	was	be	AUX
eurjchem-2135	57	40	utilized	utilize	VERB
eurjchem-2135	57	41	for	for	ADP
eurjchem-2135	57	42	energy	energy	NOUN
eurjchem-2135	57	43	minimization	minimization	NOUN
eurjchem-2135	57	44	[	[	X
eurjchem-2135	57	45	18,19	18,19	NUM
eurjchem-2135	57	46	]	]	PUNCT
eurjchem-2135	57	47	.	.	PUNCT
eurjchem-2135	58	1	finally	finally	ADV
eurjchem-2135	58	2	,	,	PUNCT
eurjchem-2135	58	3	the	the	DET
eurjchem-2135	58	4	optimized	optimize	VERB
eurjchem-2135	58	5	drugs	drug	NOUN
eurjchem-2135	58	6	were	be	AUX
eurjchem-2135	58	7	subjected	subject	VERB
eurjchem-2135	58	8	to	to	ADP
eurjchem-2135	58	9	molecular	molecular	ADJ
eurjchem-2135	58	10	docking	docking	NOUN
eurjchem-2135	58	11	study	study	NOUN
eurjchem-2135	58	12	against	against	ADP
eurjchem-2135	58	13	the	the	DET
eurjchem-2135	58	14	human	human	ADJ
eurjchem-2135	58	15	gabaa	gabaa	NOUN
eurjchem-2135	58	16	receptor	receptor	NOUN
eurjchem-2135	58	17	protein	protein	NOUN
eurjchem-2135	58	18	(	(	PUNCT
eurjchem-2135	58	19	4cof	4cof	X
eurjchem-2135	58	20	)	)	PUNCT
eurjchem-2135	58	21	considering	consider	VERB
eurjchem-2135	58	22	the	the	DET
eurjchem-2135	58	23	protein	protein	NOUN
eurjchem-2135	58	24	as	as	ADP
eurjchem-2135	58	25	a	a	DET
eurjchem-2135	58	26	macromolecule	macromolecule	NOUN
eurjchem-2135	58	27	and	and	CCONJ
eurjchem-2135	58	28	the	the	DET
eurjchem-2135	58	29	drug	drug	NOUN
eurjchem-2135	58	30	as	as	ADP
eurjchem-2135	58	31	ligand	ligand	ADJ
eurjchem-2135	58	32	.	.	PUNCT
eurjchem-2135	59	1	in	in	ADP
eurjchem-2135	59	2	the	the	DET
eurjchem-2135	59	3	current	current	ADJ
eurjchem-2135	59	4	analysis	analysis	NOUN
eurjchem-2135	59	5	,	,	PUNCT
eurjchem-2135	59	6	flexible	flexible	ADJ
eurjchem-2135	59	7	docking	docking	NOUN
eurjchem-2135	59	8	was	be	AUX
eurjchem-2135	59	9	performed	perform	VERB
eurjchem-2135	59	10	by	by	ADP
eurjchem-2135	59	11	pyrx	pyrx	NOUN
eurjchem-2135	59	12	software	software	NOUN
eurjchem-2135	59	13	(	(	PUNCT
eurjchem-2135	59	14	version	version	NOUN
eurjchem-2135	59	15	0.8	0.8	NUM
eurjchem-2135	59	16	)	)	PUNCT
eurjchem-2135	60	1	[	[	X
eurjchem-2135	60	2	20	20	NUM
eurjchem-2135	60	3	]	]	PUNCT
eurjchem-2135	60	4	where	where	SCONJ
eurjchem-2135	60	5	the	the	DET
eurjchem-2135	60	6	center	center	NOUN
eurjchem-2135	60	7	grid	grid	NOUN
eurjchem-2135	60	8	box	box	PROPN
eurjchem-2135	60	9	was	be	AUX
eurjchem-2135	60	10	set	set	VERB
eurjchem-2135	60	11	at	at	ADP
eurjchem-2135	60	12	64.84	64.84	NUM
eurjchem-2135	60	13	,	,	PUNCT
eurjchem-2135	60	14	73.29	73.29	NUM
eurjchem-2135	60	15	and	and	CCONJ
eurjchem-2135	60	16	57.94	57.94	NUM
eurjchem-2135	60	17	å	å	NOUN
eurjchem-2135	60	18	in	in	ADP
eurjchem-2135	60	19	/	/	SYM
eurjchem-2135	60	20	along	along	ADP
eurjchem-2135	60	21	x	x	X
eurjchem-2135	60	22	,	,	PUNCT
eurjchem-2135	60	23	y	y	PROPN
eurjchem-2135	60	24	and	and	CCONJ
eurjchem-2135	60	25	z	z	PROPN
eurjchem-2135	60	26	direction	direction	NOUN
eurjchem-2135	60	27	,	,	PUNCT
eurjchem-2135	60	28	respectively	respectively	ADV
eurjchem-2135	60	29	.	.	PUNCT
eurjchem-2135	60	30	accelrys	accelrys	AUX
eurjchem-2135	60	31	discovery	discovery	PROPN
eurjchem-2135	60	32	studio	studio	PROPN
eurjchem-2135	60	33	(	(	PUNCT
eurjchem-2135	60	34	version	version	NOUN
eurjchem-2135	60	35	4.1	4.1	NUM
eurjchem-2135	60	36	)	)	PUNCT
eurjchem-2135	60	37	was	be	AUX
eurjchem-2135	60	38	utilized	utilize	VERB
eurjchem-2135	60	39	to	to	PART
eurjchem-2135	60	40	calculate	calculate	VERB
eurjchem-2135	60	41	,	,	PUNCT
eurjchem-2135	60	42	analyze	analyze	VERB
eurjchem-2135	60	43	,	,	PUNCT
eurjchem-2135	60	44	and	and	CCONJ
eurjchem-2135	60	45	visualize	visualize	VERB
eurjchem-2135	60	46	the	the	DET
eurjchem-2135	60	47	interactions	interaction	NOUN
eurjchem-2135	61	1	[	[	X
eurjchem-2135	61	2	21	21	NUM
eurjchem-2135	61	3	]	]	PUNCT
eurjchem-2135	61	4	.	.	PUNCT
eurjchem-2135	62	1	2.3	2.3	NUM
eurjchem-2135	62	2	.	.	PUNCT
eurjchem-2135	63	1	admet	admet	PROPN
eurjchem-2135	63	2	prediction	prediction	NOUN
eurjchem-2135	63	3	absorption	absorption	NOUN
eurjchem-2135	63	4	,	,	PUNCT
eurjchem-2135	63	5	distribution	distribution	NOUN
eurjchem-2135	63	6	,	,	PUNCT
eurjchem-2135	63	7	metabolism	metabolism	NOUN
eurjchem-2135	63	8	,	,	PUNCT
eurjchem-2135	63	9	excretion	excretion	NOUN
eurjchem-2135	63	10	,	,	PUNCT
eurjchem-2135	63	11	and	and	CCONJ
eurjchem-2135	63	12	toxicity	toxicity	NOUN
eurjchem-2135	63	13	are	be	AUX
eurjchem-2135	63	14	the	the	DET
eurjchem-2135	63	15	important	important	ADJ
eurjchem-2135	63	16	criterion	criterion	NOUN
eurjchem-2135	63	17	for	for	ADP
eurjchem-2135	63	18	pharmaceutical	pharmaceutical	ADJ
eurjchem-2135	63	19	analysis	analysis	NOUN
eurjchem-2135	63	20	.	.	PUNCT
eurjchem-2135	64	1	admetsar	admetsar	ADJ
eurjchem-2135	64	2	server	server	NOUN
eurjchem-2135	64	3	was	be	AUX
eurjchem-2135	64	4	used	use	VERB
eurjchem-2135	64	5	to	to	PART
eurjchem-2135	64	6	predict	predict	VERB
eurjchem-2135	64	7	the	the	DET
eurjchem-2135	64	8	admet	admet	NOUN
eurjchem-2135	64	9	properties	property	NOUN
eurjchem-2135	64	10	of	of	ADP
eurjchem-2135	64	11	all	all	DET
eurjchem-2135	64	12	benzodiazepines	benzodiazepine	NOUN
eurjchem-2135	64	13	(	(	PUNCT
eurjchem-2135	64	14	bz	bz	PROPN
eurjchem-2135	64	15	)	)	PUNCT
eurjchem-2135	64	16	drugs	drug	NOUN
eurjchem-2135	65	1	[	[	X
eurjchem-2135	65	2	22	22	NUM
eurjchem-2135	65	3	]	]	PUNCT
eurjchem-2135	65	4	.	.	PUNCT
eurjchem-2135	66	1	3	3	X
eurjchem-2135	66	2	.	.	X
eurjchem-2135	66	3	result	result	NOUN
eurjchem-2135	66	4	and	and	CCONJ
eurjchem-2135	66	5	discussion	discussion	NOUN
eurjchem-2135	66	6	3.1	3.1	NUM
eurjchem-2135	66	7	.	.	PUNCT
eurjchem-2135	67	1	thermodynamic	thermodynamic	ADJ
eurjchem-2135	67	2	properties	property	NOUN
eurjchem-2135	67	3	analysis	analysis	VERB
eurjchem-2135	67	4	small	small	ADJ
eurjchem-2135	67	5	modifications	modification	NOUN
eurjchem-2135	67	6	of	of	ADP
eurjchem-2135	67	7	any	any	DET
eurjchem-2135	67	8	chemical	chemical	NOUN
eurjchem-2135	67	9	structure	structure	NOUN
eurjchem-2135	67	10	significantly	significantly	ADV
eurjchem-2135	67	11	influence	influence	VERB
eurjchem-2135	67	12	the	the	DET
eurjchem-2135	67	13	structural	structural	ADJ
eurjchem-2135	67	14	properties	property	NOUN
eurjchem-2135	67	15	including	include	VERB
eurjchem-2135	67	16	free	free	ADJ
eurjchem-2135	67	17	energy	energy	NOUN
eurjchem-2135	67	18	,	,	PUNCT
eurjchem-2135	67	19	dipole	dipole	NOUN
eurjchem-2135	67	20	moment	moment	NOUN
eurjchem-2135	67	21	,	,	PUNCT
eurjchem-2135	67	22	homo	homo	NOUN
eurjchem-2135	67	23	-	-	PUNCT
eurjchem-2135	67	24	lumo	lumo	NOUN
eurjchem-2135	67	25	gap	gap	NOUN
eurjchem-2135	67	26	,	,	PUNCT
eurjchem-2135	67	27	electrostatic	electrostatic	ADJ
eurjchem-2135	67	28	potential	potential	NOUN
eurjchem-2135	67	29	,	,	PUNCT
eurjchem-2135	67	30	as	as	ADV
eurjchem-2135	67	31	well	well	ADV
eurjchem-2135	67	32	as	as	ADP
eurjchem-2135	67	33	binding	bind	VERB
eurjchem-2135	67	34	property	property	NOUN
eurjchem-2135	67	35	.	.	PUNCT
eurjchem-2135	68	1	spontaneity	spontaneity	NOUN
eurjchem-2135	68	2	of	of	ADP
eurjchem-2135	68	3	any	any	DET
eurjchem-2135	68	4	chemical	chemical	NOUN
eurjchem-2135	68	5	reaction	reaction	NOUN
eurjchem-2135	68	6	and	and	CCONJ
eurjchem-2135	68	7	stability	stability	NOUN
eurjchem-2135	68	8	of	of	ADP
eurjchem-2135	68	9	a	a	DET
eurjchem-2135	68	10	product	product	NOUN
eurjchem-2135	68	11	related	relate	VERB
eurjchem-2135	68	12	to	to	ADP
eurjchem-2135	68	13	the	the	DET
eurjchem-2135	68	14	nature	nature	NOUN
eurjchem-2135	68	15	of	of	ADP
eurjchem-2135	68	16	gibb	gibb	PROPN
eurjchem-2135	68	17	’s	’s	PART
eurjchem-2135	68	18	free	free	ADJ
eurjchem-2135	68	19	energy	energy	NOUN
eurjchem-2135	68	20	and	and	CCONJ
eurjchem-2135	68	21	enthalpy	enthalpy	NOUN
eurjchem-2135	68	22	[	[	X
eurjchem-2135	68	23	23	23	NUM
eurjchem-2135	68	24	]	]	PUNCT
eurjchem-2135	68	25	.	.	PUNCT
eurjchem-2135	69	1	free	free	ADJ
eurjchem-2135	69	2	energies	energy	NOUN
eurjchem-2135	69	3	significantly	significantly	ADV
eurjchem-2135	69	4	influence	influence	VERB
eurjchem-2135	69	5	the	the	DET
eurjchem-2135	69	6	binding	bind	VERB
eurjchem-2135	69	7	affinity	affinity	NOUN
eurjchem-2135	69	8	,	,	PUNCT
eurjchem-2135	69	9	where	where	SCONJ
eurjchem-2135	69	10	larger	large	ADJ
eurjchem-2135	69	11	negative	negative	ADJ
eurjchem-2135	69	12	values	value	NOUN
eurjchem-2135	69	13	are	be	AUX
eurjchem-2135	69	14	favorable	favorable	ADJ
eurjchem-2135	69	15	for	for	ADP
eurjchem-2135	69	16	better	well	ADJ
eurjchem-2135	69	17	binding	bind	VERB
eurjchem-2135	69	18	interactions	interaction	NOUN
eurjchem-2135	69	19	,	,	PUNCT
eurjchem-2135	69	20	and	and	CCONJ
eurjchem-2135	69	21	thermodynamic	thermodynamic	ADJ
eurjchem-2135	69	22	properties	property	NOUN
eurjchem-2135	69	23	.	.	PUNCT
eurjchem-2135	70	1	the	the	DET
eurjchem-2135	70	2	free	free	ADJ
eurjchem-2135	70	3	energies	energy	NOUN
eurjchem-2135	70	4	of	of	ADP
eurjchem-2135	70	5	alprazolam	alprazolam	PROPN
eurjchem-2135	70	6	and	and	CCONJ
eurjchem-2135	70	7	lorazepam	lorazepam	PROPN
eurjchem-2135	70	8	are	be	AUX
eurjchem-2135	70	9	-1327.56	-1327.56	NUM
eurjchem-2135	70	10	and	and	CCONJ
eurjchem-2135	70	11	-1748.68	-1748.68	PROPN
eurjchem-2135	70	12	hartree	hartree	NOUN
eurjchem-2135	70	13	,	,	PUNCT
eurjchem-2135	70	14	respectively	respectively	ADV
eurjchem-2135	70	15	.	.	PUNCT
eurjchem-2135	71	1	meanwhile	meanwhile	ADV
eurjchem-2135	71	2	,	,	PUNCT
eurjchem-2135	71	3	bromazepam	bromazepam	PROPN
eurjchem-2135	71	4	shows	show	VERB
eurjchem-2135	71	5	the	the	DET
eurjchem-2135	71	6	highest	high	ADJ
eurjchem-2135	71	7	free	free	ADJ
eurjchem-2135	71	8	energy	energy	NOUN
eurjchem-2135	71	9	(	(	PUNCT
eurjchem-2135	71	10	-3350.60	-3350.60	NOUN
eurjchem-2135	71	11	hartree	hartree	NOUN
eurjchem-2135	71	12	)	)	PUNCT
eurjchem-2135	71	13	due	due	ADP
eurjchem-2135	71	14	to	to	ADP
eurjchem-2135	71	15	the	the	DET
eurjchem-2135	71	16	presence	presence	NOUN
eurjchem-2135	71	17	of	of	ADP
eurjchem-2135	71	18	bromine	bromine	NOUN
eurjchem-2135	71	19	and	and	CCONJ
eurjchem-2135	71	20	oxygen	oxygen	NOUN
eurjchem-2135	71	21	atoms	atom	NOUN
eurjchem-2135	71	22	,	,	PUNCT
eurjchem-2135	71	23	hence	hence	ADV
eurjchem-2135	71	24	suggesting	suggest	VERB
eurjchem-2135	71	25	energetically	energetically	ADV
eurjchem-2135	71	26	and	and	CCONJ
eurjchem-2135	71	27	configurationally	configurationally	ADV
eurjchem-2135	71	28	more	more	ADV
eurjchem-2135	71	29	stable	stable	ADJ
eurjchem-2135	71	30	.	.	PUNCT
eurjchem-2135	72	1	the	the	DET
eurjchem-2135	72	2	optimized	optimize	VERB
eurjchem-2135	72	3	structures	structure	NOUN
eurjchem-2135	72	4	of	of	ADP
eurjchem-2135	72	5	the	the	DET
eurjchem-2135	72	6	bz	bz	PROPN
eurjchem-2135	72	7	drugs	drug	NOUN
eurjchem-2135	72	8	are	be	AUX
eurjchem-2135	72	9	shown	show	VERB
eurjchem-2135	72	10	in	in	ADP
eurjchem-2135	72	11	figure	figure	NOUN
eurjchem-2135	72	12	2	2	NUM
eurjchem-2135	72	13	.	.	PUNCT
eurjchem-2135	72	14	in	in	ADP
eurjchem-2135	72	15	drug	drug	NOUN
eurjchem-2135	72	16	design	design	NOUN
eurjchem-2135	72	17	,	,	PUNCT
eurjchem-2135	72	18	an	an	DET
eurjchem-2135	72	19	increased	increase	VERB
eurjchem-2135	72	20	dipole	dipole	NOUN
eurjchem-2135	72	21	moment	moment	NOUN
eurjchem-2135	72	22	value	value	NOUN
eurjchem-2135	72	23	is	be	AUX
eurjchem-2135	72	24	favorable	favorable	ADJ
eurjchem-2135	72	25	to	to	PART
eurjchem-2135	72	26	increase	increase	VERB
eurjchem-2135	72	27	hydrogen	hydrogen	NOUN
eurjchem-2135	72	28	bond	bond	NOUN
eurjchem-2135	72	29	and	and	CCONJ
eurjchem-2135	72	30	nonbonded	nonbonde	VERB
eurjchem-2135	72	31	interactions	interaction	NOUN
eurjchem-2135	72	32	in	in	ADP
eurjchem-2135	72	33	drug	drug	NOUN
eurjchem-2135	72	34	receptor	receptor	NOUN
eurjchem-2135	72	35	complexes	complex	NOUN
eurjchem-2135	72	36	which	which	PRON
eurjchem-2135	72	37	keep	keep	VERB
eurjchem-2135	72	38	an	an	DET
eurjchem-2135	72	39	important	important	ADJ
eurjchem-2135	72	40	role	role	NOUN
eurjchem-2135	72	41	to	to	PART
eurjchem-2135	72	42	increase	increase	VERB
eurjchem-2135	72	43	binding	binding	ADJ
eurjchem-2135	72	44	affinity	affinity	NOUN
eurjchem-2135	72	45	.	.	PUNCT
eurjchem-2135	73	1	the	the	DET
eurjchem-2135	73	2	polar	polar	ADJ
eurjchem-2135	73	3	nature	nature	NOUN
eurjchem-2135	73	4	of	of	ADP
eurjchem-2135	73	5	a	a	DET
eurjchem-2135	73	6	molecule	molecule	NOUN
eurjchem-2135	73	7	increases	increase	NOUN
eurjchem-2135	73	8	with	with	ADP
eurjchem-2135	73	9	the	the	DET
eurjchem-2135	73	10	increase	increase	NOUN
eurjchem-2135	73	11	of	of	ADP
eurjchem-2135	73	12	the	the	DET
eurjchem-2135	73	13	dipole	dipole	NOUN
eurjchem-2135	73	14	moment	moment	NOUN
eurjchem-2135	74	1	[	[	X
eurjchem-2135	74	2	24	24	NUM
eurjchem-2135	74	3	]	]	PUNCT
eurjchem-2135	74	4	.	.	PUNCT
eurjchem-2135	75	1	the	the	DET
eurjchem-2135	75	2	dipole	dipole	NOUN
eurjchem-2135	75	3	moment	moment	NOUN
eurjchem-2135	75	4	of	of	ADP
eurjchem-2135	75	5	alprazolam	alprazolam	PROPN
eurjchem-2135	75	6	and	and	CCONJ
eurjchem-2135	75	7	bromazepam	bromazepam	NOUN
eurjchem-2135	75	8	is	be	AUX
eurjchem-2135	75	9	4.72	4.72	NUM
eurjchem-2135	75	10	and	and	CCONJ
eurjchem-2135	75	11	4.71	4.71	NUM
eurjchem-2135	75	12	debye	debye	ADJ
eurjchem-2135	75	13	when	when	SCONJ
eurjchem-2135	75	14	lorazepam	lorazepam	PROPN
eurjchem-2135	75	15	shows	show	VERB
eurjchem-2135	75	16	the	the	DET
eurjchem-2135	75	17	highest	high	ADJ
eurjchem-2135	75	18	value	value	NOUN
eurjchem-2135	75	19	,	,	PUNCT
eurjchem-2135	75	20	5.82	5.82	NUM
eurjchem-2135	75	21	debye	debye	ADJ
eurjchem-2135	75	22	(	(	PUNCT
eurjchem-2135	75	23	table	table	NOUN
eurjchem-2135	75	24	1	1	NUM
eurjchem-2135	75	25	)	)	PUNCT
eurjchem-2135	75	26	.	.	PUNCT
eurjchem-2135	76	1	414	414	NUM
eurjchem-2135	76	2	uzzaman	uzzaman	NOUN
eurjchem-2135	76	3	et	et	PROPN
eurjchem-2135	76	4	al	al	PROPN
eurjchem-2135	76	5	.	.	PUNCT
eurjchem-2135	76	6	/	/	SYM
eurjchem-2135	76	7	european	european	PROPN
eurjchem-2135	76	8	journal	journal	PROPN
eurjchem-2135	76	9	of	of	ADP
eurjchem-2135	76	10	chemistry	chemistry	NOUN
eurjchem-2135	76	11	12	12	NUM
eurjchem-2135	76	12	(	(	PUNCT
eurjchem-2135	76	13	4	4	NUM
eurjchem-2135	76	14	)	)	PUNCT
eurjchem-2135	76	15	(	(	PUNCT
eurjchem-2135	76	16	2021	2021	NUM
eurjchem-2135	76	17	)	)	PUNCT
eurjchem-2135	76	18	412	412	NUM
eurjchem-2135	76	19	-	-	SYM
eurjchem-2135	76	20	418	418	NUM
eurjchem-2135	76	21	2021	2021	NUM
eurjchem-2135	76	22	–	–	PUNCT
eurjchem-2135	76	23	european	european	ADJ
eurjchem-2135	76	24	journal	journal	NOUN
eurjchem-2135	76	25	of	of	ADP
eurjchem-2135	76	26	chemistry	chemistry	NOUN
eurjchem-2135	76	27	–	–	PUNCT
eurjchem-2135	76	28	cc	cc	NOUN
eurjchem-2135	76	29	by	by	ADP
eurjchem-2135	76	30	nc	nc	PROPN
eurjchem-2135	76	31	–	–	PUNCT
eurjchem-2135	76	32	doi	doi	PROPN
eurjchem-2135	76	33	:	:	PUNCT
eurjchem-2135	76	34	10.5155	10.5155	NUM
eurjchem-2135	76	35	/	/	SYM
eurjchem-2135	76	36	eurjchem.12.4.412	eurjchem.12.4.412	NOUN
eurjchem-2135	76	37	-	-	PUNCT
eurjchem-2135	76	38	418.2135	418.2135	NUM
eurjchem-2135	76	39	table	table	NOUN
eurjchem-2135	76	40	2	2	NUM
eurjchem-2135	76	41	.	.	PUNCT
eurjchem-2135	76	42	energy	energy	NOUN
eurjchem-2135	76	43	(	(	PUNCT
eurjchem-2135	76	44	ev	ev	NOUN
eurjchem-2135	76	45	)	)	PUNCT
eurjchem-2135	76	46	of	of	ADP
eurjchem-2135	76	47	homo	homo	NOUN
eurjchem-2135	76	48	,	,	PUNCT
eurjchem-2135	76	49	lumo	lumo	NOUN
eurjchem-2135	76	50	,	,	PUNCT
eurjchem-2135	76	51	gap	gap	NOUN
eurjchem-2135	76	52	,	,	PUNCT
eurjchem-2135	76	53	hardness	hardness	NOUN
eurjchem-2135	76	54	and	and	CCONJ
eurjchem-2135	76	55	softness	softness	NOUN
eurjchem-2135	76	56	of	of	ADP
eurjchem-2135	76	57	all	all	DET
eurjchem-2135	76	58	drugs	drug	NOUN
eurjchem-2135	76	59	.	.	PUNCT
eurjchem-2135	77	1	drugs	drug	NOUN
eurjchem-2135	77	2	ehomo	ehomo	VERB
eurjchem-2135	77	3	elumo	elumo	ADJ
eurjchem-2135	77	4	gap	gap	NOUN
eurjchem-2135	77	5	(	(	PUNCT
eurjchem-2135	77	6	ehomo	ehomo	ADJ
eurjchem-2135	77	7	/	/	SYM
eurjchem-2135	77	8	elumo	elumo	NOUN
eurjchem-2135	77	9	)	)	PUNCT
eurjchem-2135	77	10	ehomo-1	ehomo-1	NUM
eurjchem-2135	77	11	elumo+1	elumo+1	PROPN
eurjchem-2135	77	12	gap	gap	NOUN
eurjchem-2135	77	13	(	(	PUNCT
eurjchem-2135	77	14	ehomo-1	ehomo-1	NOUN
eurjchem-2135	77	15	/	/	SYM
eurjchem-2135	77	16	elumo+1	elumo+1	PROPN
eurjchem-2135	77	17	)	)	PUNCT
eurjchem-2135	77	18	hardness	hardness	NOUN
eurjchem-2135	77	19	softness	softness	NOUN
eurjchem-2135	77	20	alprazolam	alprazolam	PROPN
eurjchem-2135	77	21	-6.75	-6.75	NUM
eurjchem-2135	77	22	-1.93	-1.93	NUM
eurjchem-2135	77	23	4.82	4.82	NUM
eurjchem-2135	77	24	-8.60	-8.60	NUM
eurjchem-2135	77	25	-4.67	-4.67	NUM
eurjchem-2135	77	26	3.93	3.93	NUM
eurjchem-2135	77	27	2.41	2.41	NUM
eurjchem-2135	77	28	0.42	0.42	NUM
eurjchem-2135	77	29	bromazepam	bromazepam	NOUN
eurjchem-2135	77	30	-6.72	-6.72	INTJ
eurjchem-2135	77	31	-2.09	-2.09	PROPN
eurjchem-2135	77	32	4.63	4.63	NUM
eurjchem-2135	77	33	-7.15	-7.15	NOUN
eurjchem-2135	77	34	-1.47	-1.47	NUM
eurjchem-2135	77	35	5.68	5.68	NUM
eurjchem-2135	77	36	2.31	2.31	NUM
eurjchem-2135	77	37	0.43	0.43	NUM
eurjchem-2135	77	38	diazepam	diazepam	NOUN
eurjchem-2135	77	39	-6.37	-6.37	ADJ
eurjchem-2135	77	40	-1.66	-1.66	NUM
eurjchem-2135	77	41	4.71	4.71	NUM
eurjchem-2135	77	42	-6.41	-6.41	NOUN
eurjchem-2135	77	43	-1.28	-1.28	NUM
eurjchem-2135	77	44	5.13	5.13	NUM
eurjchem-2135	77	45	2.36	2.36	NUM
eurjchem-2135	77	46	0.42	0.42	NUM
eurjchem-2135	77	47	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	77	48	-6.99	-6.99	NUM
eurjchem-2135	77	49	-2.97	-2.97	NOUN
eurjchem-2135	77	50	4.02	4.02	NUM
eurjchem-2135	77	51	-8.84	-8.84	NOUN
eurjchem-2135	77	52	-4.79	-4.79	NUM
eurjchem-2135	77	53	4.05	4.05	NUM
eurjchem-2135	77	54	2.01	2.01	NUM
eurjchem-2135	77	55	0.50	0.50	NUM
eurjchem-2135	77	56	lorazepam	lorazepam	NOUN
eurjchem-2135	77	57	-6.75	-6.75	PROPN
eurjchem-2135	77	58	-1.88	-1.88	NUM
eurjchem-2135	77	59	4.87	4.87	NUM
eurjchem-2135	77	60	-7.02	-7.02	NUM
eurjchem-2135	77	61	-1.58	-1.58	NUM
eurjchem-2135	77	62	5.44	5.44	NUM
eurjchem-2135	77	63	2.43	2.43	NUM
eurjchem-2135	77	64	0.41	0.41	NUM
eurjchem-2135	77	65	alprazolam	alprazolam	PROPN
eurjchem-2135	77	66	bromazepam	bromazepam	NOUN
eurjchem-2135	77	67	diazepam	diazepam	NOUN
eurjchem-2135	77	68	flunitrazepam	flunitrazepam	PROPN
eurjchem-2135	77	69	lorazepam	lorazepam	PROPN
eurjchem-2135	77	70	figure	figure	NOUN
eurjchem-2135	77	71	2	2	NUM
eurjchem-2135	77	72	.	.	PUNCT
eurjchem-2135	77	73	most	most	ADV
eurjchem-2135	77	74	stable	stable	ADJ
eurjchem-2135	77	75	optimized	optimize	VERB
eurjchem-2135	77	76	structures	structure	NOUN
eurjchem-2135	77	77	of	of	ADP
eurjchem-2135	77	78	benzodiazepine	benzodiazepine	NOUN
eurjchem-2135	77	79	drugs	drug	NOUN
eurjchem-2135	77	80	,	,	PUNCT
eurjchem-2135	77	81	optimized	optimize	VERB
eurjchem-2135	77	82	at	at	ADP
eurjchem-2135	77	83	b3lyp/6	b3lyp/6	PROPN
eurjchem-2135	77	84	-	-	PROPN
eurjchem-2135	77	85	311g+(d	311g+(d	ADJ
eurjchem-2135	77	86	,	,	PUNCT
eurjchem-2135	77	87	p	p	NOUN
eurjchem-2135	77	88	)	)	PUNCT
eurjchem-2135	77	89	level	level	NOUN
eurjchem-2135	77	90	theory	theory	NOUN
eurjchem-2135	77	91	.	.	PUNCT
eurjchem-2135	78	1	elumo	elumo	ADJ
eurjchem-2135	78	2	=	=	SYM
eurjchem-2135	78	3	-2.97	-2.97	NOUN
eurjchem-2135	78	4	ev	ev	X
eurjchem-2135	78	5	elumo+1	elumo+1	PROPN
eurjchem-2135	78	6	=	=	SYM
eurjchem-2135	78	7	-4.79	-4.79	NUM
eurjchem-2135	78	8	ev	ev	X
eurjchem-2135	78	9	↕	↕	PROPN
eurjchem-2135	78	10	δe	δe	ADP
eurjchem-2135	78	11	=	=	SYM
eurjchem-2135	78	12	4.02	4.02	NUM
eurjchem-2135	78	13	ev	ev	INTJ
eurjchem-2135	78	14	↕	↕	PROPN
eurjchem-2135	78	15	δe	δe	NOUN
eurjchem-2135	78	16	=	=	NOUN
eurjchem-2135	78	17	4.05	4.05	NUM
eurjchem-2135	78	18	ev	ev	INTJ
eurjchem-2135	78	19	ehomo	ehomo	NOUN
eurjchem-2135	79	1	=	=	SYM
eurjchem-2135	80	1	-6.99	-6.99	NOUN
eurjchem-2135	81	1	ev	ev	INTJ
eurjchem-2135	81	2	ehomo-1	ehomo-1	PROPN
eurjchem-2135	81	3	=	=	SYM
eurjchem-2135	81	4	-8.84	-8.84	NUM
eurjchem-2135	81	5	ev	ev	NOUN
eurjchem-2135	81	6	figure	figure	NOUN
eurjchem-2135	81	7	3	3	NUM
eurjchem-2135	81	8	.	.	PUNCT
eurjchem-2135	81	9	frontier	frontier	NOUN
eurjchem-2135	81	10	molecular	molecular	ADJ
eurjchem-2135	81	11	orbitals	orbital	NOUN
eurjchem-2135	81	12	and	and	CCONJ
eurjchem-2135	81	13	related	relate	VERB
eurjchem-2135	81	14	energy	energy	NOUN
eurjchem-2135	81	15	of	of	ADP
eurjchem-2135	81	16	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	81	17	.	.	PUNCT
eurjchem-2135	82	1	3.2	3.2	NUM
eurjchem-2135	82	2	.	.	X
eurjchem-2135	83	1	molecular	molecular	ADJ
eurjchem-2135	83	2	orbital	orbital	ADJ
eurjchem-2135	83	3	analysis	analysis	NOUN
eurjchem-2135	83	4	the	the	DET
eurjchem-2135	83	5	homo	homo	NOUN
eurjchem-2135	83	6	and	and	CCONJ
eurjchem-2135	83	7	lumo	lumo	NOUN
eurjchem-2135	83	8	energies	energy	NOUN
eurjchem-2135	83	9	,	,	PUNCT
eurjchem-2135	83	10	energy	energy	NOUN
eurjchem-2135	83	11	gap	gap	NOUN
eurjchem-2135	83	12	,	,	PUNCT
eurjchem-2135	83	13	hardness	hardness	NOUN
eurjchem-2135	83	14	,	,	PUNCT
eurjchem-2135	83	15	softness	softness	NOUN
eurjchem-2135	83	16	,	,	PUNCT
eurjchem-2135	83	17	chemical	chemical	NOUN
eurjchem-2135	83	18	potential	potential	NOUN
eurjchem-2135	83	19	,	,	PUNCT
eurjchem-2135	83	20	electronegativity	electronegativity	NOUN
eurjchem-2135	83	21	and	and	CCONJ
eurjchem-2135	83	22	electrophilic	electrophilic	ADJ
eurjchem-2135	83	23	index	index	NOUN
eurjchem-2135	83	24	of	of	ADP
eurjchem-2135	83	25	all	all	DET
eurjchem-2135	83	26	drugs	drug	NOUN
eurjchem-2135	83	27	are	be	AUX
eurjchem-2135	83	28	presented	present	VERB
eurjchem-2135	83	29	in	in	ADP
eurjchem-2135	83	30	table	table	NOUN
eurjchem-2135	83	31	2	2	NUM
eurjchem-2135	83	32	.	.	PUNCT
eurjchem-2135	84	1	the	the	DET
eurjchem-2135	84	2	electronic	electronic	ADJ
eurjchem-2135	84	3	transition	transition	NOUN
eurjchem-2135	84	4	from	from	ADP
eurjchem-2135	84	5	the	the	DET
eurjchem-2135	84	6	ground	ground	NOUN
eurjchem-2135	84	7	to	to	ADP
eurjchem-2135	84	8	the	the	DET
eurjchem-2135	84	9	first	first	ADJ
eurjchem-2135	84	10	excited	excited	ADJ
eurjchem-2135	84	11	state	state	NOUN
eurjchem-2135	84	12	mainly	mainly	ADV
eurjchem-2135	84	13	described	describe	VERB
eurjchem-2135	84	14	by	by	ADP
eurjchem-2135	84	15	one	one	NUM
eurjchem-2135	84	16	electron	electron	NOUN
eurjchem-2135	84	17	excitation	excitation	NOUN
eurjchem-2135	84	18	from	from	ADP
eurjchem-2135	84	19	homo	homo	NOUN
eurjchem-2135	84	20	to	to	ADP
eurjchem-2135	84	21	lumo	lumo	NOUN
eurjchem-2135	84	22	[	[	X
eurjchem-2135	84	23	25	25	NUM
eurjchem-2135	84	24	]	]	PUNCT
eurjchem-2135	84	25	.	.	PUNCT
eurjchem-2135	85	1	frontier	frontier	NOUN
eurjchem-2135	85	2	molecular	molecular	ADJ
eurjchem-2135	85	3	orbital	orbital	ADJ
eurjchem-2135	85	4	picture	picture	NOUN
eurjchem-2135	85	5	of	of	ADP
eurjchem-2135	85	6	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	85	7	is	be	AUX
eurjchem-2135	85	8	displayed	display	VERB
eurjchem-2135	85	9	in	in	ADP
eurjchem-2135	85	10	figure	figure	NOUN
eurjchem-2135	85	11	3	3	NUM
eurjchem-2135	85	12	.	.	PUNCT
eurjchem-2135	85	13	chemical	chemical	ADJ
eurjchem-2135	85	14	reactivity	reactivity	NOUN
eurjchem-2135	85	15	and	and	CCONJ
eurjchem-2135	85	16	chemical	chemical	NOUN
eurjchem-2135	85	17	potential	potential	NOUN
eurjchem-2135	85	18	are	be	AUX
eurjchem-2135	85	19	influenced	influence	VERB
eurjchem-2135	85	20	by	by	ADP
eurjchem-2135	85	21	energies	energy	NOUN
eurjchem-2135	85	22	of	of	ADP
eurjchem-2135	85	23	homo	homo	NOUN
eurjchem-2135	85	24	and	and	CCONJ
eurjchem-2135	85	25	lumo	lumo	NOUN
eurjchem-2135	85	26	.	.	PUNCT
eurjchem-2135	86	1	the	the	DET
eurjchem-2135	86	2	homo	homo	NOUN
eurjchem-2135	86	3	-	-	PUNCT
eurjchem-2135	86	4	lumo	lumo	NOUN
eurjchem-2135	86	5	gap	gap	NOUN
eurjchem-2135	86	6	is	be	AUX
eurjchem-2135	86	7	related	relate	VERB
eurjchem-2135	86	8	to	to	ADP
eurjchem-2135	86	9	the	the	DET
eurjchem-2135	86	10	chemical	chemical	ADJ
eurjchem-2135	86	11	hardness	hardness	NOUN
eurjchem-2135	86	12	,	,	PUNCT
eurjchem-2135	86	13	softness	softness	NOUN
eurjchem-2135	86	14	,	,	PUNCT
eurjchem-2135	86	15	chemical	chemical	NOUN
eurjchem-2135	86	16	potential	potential	NOUN
eurjchem-2135	86	17	,	,	PUNCT
eurjchem-2135	86	18	and	and	CCONJ
eurjchem-2135	86	19	electrophilic	electrophilic	ADJ
eurjchem-2135	86	20	index	index	NOUN
eurjchem-2135	86	21	of	of	ADP
eurjchem-2135	86	22	a	a	DET
eurjchem-2135	86	23	molecule	molecule	NOUN
eurjchem-2135	86	24	[	[	X
eurjchem-2135	86	25	13,26	13,26	NUM
eurjchem-2135	86	26	]	]	X
eurjchem-2135	86	27	.	.	PUNCT
eurjchem-2135	87	1	large	large	ADJ
eurjchem-2135	87	2	homo	homo	ADJ
eurjchem-2135	87	3	-	-	PUNCT
eurjchem-2135	87	4	lumo	lumo	NOUN
eurjchem-2135	87	5	energy	energy	NOUN
eurjchem-2135	87	6	gap	gap	NOUN
eurjchem-2135	87	7	is	be	AUX
eurjchem-2135	87	8	responsible	responsible	ADJ
eurjchem-2135	87	9	for	for	ADP
eurjchem-2135	87	10	high	high	ADJ
eurjchem-2135	87	11	kinetic	kinetic	ADJ
eurjchem-2135	87	12	stability	stability	NOUN
eurjchem-2135	87	13	and	and	CCONJ
eurjchem-2135	87	14	low	low	ADJ
eurjchem-2135	87	15	chemical	chemical	NOUN
eurjchem-2135	87	16	reactivity	reactivity	NOUN
eurjchem-2135	87	17	.	.	PUNCT
eurjchem-2135	88	1	a	a	DET
eurjchem-2135	88	2	small	small	ADJ
eurjchem-2135	88	3	homo	homo	NOUN
eurjchem-2135	88	4	-	-	PUNCT
eurjchem-2135	88	5	lumo	lumo	NOUN
eurjchem-2135	88	6	energy	energy	NOUN
eurjchem-2135	88	7	gap	gap	NOUN
eurjchem-2135	88	8	is	be	AUX
eurjchem-2135	88	9	important	important	ADJ
eurjchem-2135	88	10	for	for	ADP
eurjchem-2135	88	11	low	low	ADJ
eurjchem-2135	88	12	chemical	chemical	NOUN
eurjchem-2135	88	13	stability	stability	NOUN
eurjchem-2135	88	14	,	,	PUNCT
eurjchem-2135	88	15	because	because	SCONJ
eurjchem-2135	88	16	the	the	DET
eurjchem-2135	88	17	addition	addition	NOUN
eurjchem-2135	88	18	of	of	ADP
eurjchem-2135	88	19	electrons	electron	NOUN
eurjchem-2135	88	20	to	to	ADP
eurjchem-2135	88	21	a	a	DET
eurjchem-2135	88	22	high	high	ADV
eurjchem-2135	88	23	-	-	PUNCT
eurjchem-2135	88	24	lying	lie	VERB
eurjchem-2135	88	25	lumo	lumo	NOUN
eurjchem-2135	88	26	and/or	and/or	CCONJ
eurjchem-2135	88	27	the	the	DET
eurjchem-2135	88	28	removal	removal	NOUN
eurjchem-2135	88	29	of	of	ADP
eurjchem-2135	88	30	electrons	electron	NOUN
eurjchem-2135	88	31	from	from	ADP
eurjchem-2135	88	32	a	a	DET
eurjchem-2135	88	33	low	low	ADV
eurjchem-2135	88	34	-	-	PUNCT
eurjchem-2135	88	35	lying	lie	VERB
eurjchem-2135	88	36	homo	homo	NOUN
eurjchem-2135	88	37	are	be	AUX
eurjchem-2135	88	38	energetically	energetically	ADV
eurjchem-2135	88	39	favorable	favorable	ADJ
eurjchem-2135	88	40	in	in	ADP
eurjchem-2135	88	41	any	any	DET
eurjchem-2135	88	42	potential	potential	ADJ
eurjchem-2135	88	43	reaction	reaction	NOUN
eurjchem-2135	88	44	.	.	PUNCT
eurjchem-2135	89	1	uzzaman	uzzaman	NOUN
eurjchem-2135	89	2	et	et	PROPN
eurjchem-2135	89	3	al	al	PROPN
eurjchem-2135	89	4	.	.	PUNCT
eurjchem-2135	89	5	/	/	SYM
eurjchem-2135	89	6	european	european	PROPN
eurjchem-2135	89	7	journal	journal	PROPN
eurjchem-2135	89	8	of	of	ADP
eurjchem-2135	89	9	chemistry	chemistry	NOUN
eurjchem-2135	89	10	12	12	NUM
eurjchem-2135	89	11	(	(	PUNCT
eurjchem-2135	89	12	4	4	NUM
eurjchem-2135	89	13	)	)	PUNCT
eurjchem-2135	89	14	(	(	PUNCT
eurjchem-2135	89	15	2021	2021	NUM
eurjchem-2135	89	16	)	)	PUNCT
eurjchem-2135	89	17	412	412	NUM
eurjchem-2135	89	18	-	-	SYM
eurjchem-2135	89	19	418	418	NUM
eurjchem-2135	89	20	415	415	NUM
eurjchem-2135	89	21	2021	2021	NUM
eurjchem-2135	89	22	–	–	PUNCT
eurjchem-2135	89	23	european	european	ADJ
eurjchem-2135	89	24	journal	journal	NOUN
eurjchem-2135	89	25	of	of	ADP
eurjchem-2135	89	26	chemistry	chemistry	NOUN
eurjchem-2135	89	27	–	–	PUNCT
eurjchem-2135	89	28	cc	cc	NOUN
eurjchem-2135	89	29	by	by	ADP
eurjchem-2135	89	30	nc	nc	PROPN
eurjchem-2135	89	31	–	–	PUNCT
eurjchem-2135	89	32	doi	doi	PROPN
eurjchem-2135	89	33	:	:	PUNCT
eurjchem-2135	89	34	10.5155	10.5155	NUM
eurjchem-2135	89	35	/	/	SYM
eurjchem-2135	89	36	eurjchem.12.4.412	eurjchem.12.4.412	NOUN
eurjchem-2135	89	37	-	-	PUNCT
eurjchem-2135	89	38	418.2135	418.2135	NUM
eurjchem-2135	89	39	table	table	NOUN
eurjchem-2135	89	40	3	3	NUM
eurjchem-2135	89	41	.	.	PUNCT
eurjchem-2135	90	1	binding	bind	VERB
eurjchem-2135	90	2	energy	energy	NOUN
eurjchem-2135	90	3	and	and	CCONJ
eurjchem-2135	90	4	nonbonding	nonbonding	NOUN
eurjchem-2135	90	5	interaction	interaction	NOUN
eurjchem-2135	90	6	of	of	ADP
eurjchem-2135	90	7	benzodiazepine	benzodiazepine	NOUN
eurjchem-2135	90	8	derivatives	derivative	NOUN
eurjchem-2135	90	9	.	.	PUNCT
eurjchem-2135	91	1	ligand	ligand	ADJ
eurjchem-2135	91	2	binding	bind	VERB
eurjchem-2135	91	3	affinity	affinity	NOUN
eurjchem-2135	91	4	(	(	PUNCT
eurjchem-2135	91	5	kcal	kcal	NOUN
eurjchem-2135	91	6	/	/	SYM
eurjchem-2135	91	7	mol	mol	NOUN
eurjchem-2135	91	8	)	)	PUNCT
eurjchem-2135	91	9	residues	residue	NOUN
eurjchem-2135	91	10	in	in	ADP
eurjchem-2135	91	11	contact	contact	NOUN
eurjchem-2135	91	12	interaction	interaction	NOUN
eurjchem-2135	91	13	type	type	NOUN
eurjchem-2135	91	14	*	*	PUNCT
eurjchem-2135	91	15	distance	distance	NOUN
eurjchem-2135	91	16	(	(	PUNCT
eurjchem-2135	91	17	å	å	NOUN
eurjchem-2135	91	18	)	)	PUNCT
eurjchem-2135	91	19	alprazolam	alprazolam	PROPN
eurjchem-2135	91	20	-7.4	-7.4	PUNCT
eurjchem-2135	91	21	glu52	glu52	VERB
eurjchem-2135	91	22	c	c	PROPN
eurjchem-2135	91	23	4.79289	4.79289	NUM
eurjchem-2135	91	24	glu52	glu52	VERB
eurjchem-2135	91	25	pa	pa	PROPN
eurjchem-2135	91	26	3.81763	3.81763	NUM
eurjchem-2135	91	27	tyr220	tyr220	PROPN
eurjchem-2135	91	28	pdh	pdh	NOUN
eurjchem-2135	91	29	2.84185	2.84185	NUM
eurjchem-2135	91	30	thr271	thr271	NOUN
eurjchem-2135	91	31	pdh	pdh	NOUN
eurjchem-2135	91	32	2.97977	2.97977	NUM
eurjchem-2135	91	33	tyr220	tyr220	NOUN
eurjchem-2135	91	34	ppt	ppt	NOUN
eurjchem-2135	91	35	4.98649	4.98649	NUM
eurjchem-2135	91	36	val53	val53	PROPN
eurjchem-2135	91	37	pa	pa	PROPN
eurjchem-2135	91	38	5.34154	5.34154	NUM
eurjchem-2135	91	39	bromazepam	bromazepam	NOUN
eurjchem-2135	91	40	-6.4	-6.4	VERB
eurjchem-2135	91	41	gln65	gln65	VERB
eurjchem-2135	91	42	h	h	NOUN
eurjchem-2135	91	43	2.27068	2.27068	NUM
eurjchem-2135	91	44	thr96	thr96	VERB
eurjchem-2135	91	45	h	h	NOUN
eurjchem-2135	91	46	2.66812	2.66812	NUM
eurjchem-2135	91	47	thr96	thr96	VERB
eurjchem-2135	91	48	c	c	NOUN
eurjchem-2135	91	49	3.47936	3.47936	NUM
eurjchem-2135	91	50	phe98	phe98	ADJ
eurjchem-2135	91	51	pc	pc	NOUN
eurjchem-2135	91	52	4.32935	4.32935	NUM
eurjchem-2135	91	53	val106	val106	NOUN
eurjchem-2135	91	54	pa	pa	PROPN
eurjchem-2135	91	55	5.34822	5.34822	NUM
eurjchem-2135	91	56	leu128	leu128	NOUN
eurjchem-2135	91	57	pa	pa	PROPN
eurjchem-2135	91	58	5.37012	5.37012	NUM
eurjchem-2135	91	59	diazepam	diazepam	NOUN
eurjchem-2135	91	60	-6.9	-6.9	NOUN
eurjchem-2135	91	61	gln65	gln65	VERB
eurjchem-2135	91	62	h	h	NOUN
eurjchem-2135	91	63	2.19508	2.19508	NUM
eurjchem-2135	91	64	thr96	thr96	VERB
eurjchem-2135	91	65	c	c	NOUN
eurjchem-2135	91	66	3.27886	3.27886	NUM
eurjchem-2135	91	67	pro94	pro94	NOUN
eurjchem-2135	91	68	c	c	NOUN
eurjchem-2135	91	69	3.72636	3.72636	NUM
eurjchem-2135	91	70	phe98	phe98	ADJ
eurjchem-2135	91	71	pc	pc	NOUN
eurjchem-2135	91	72	4.42984	4.42984	NUM
eurjchem-2135	91	73	val106	val106	NOUN
eurjchem-2135	91	74	a	a	DET
eurjchem-2135	91	75	4.42526	4.42526	NUM
eurjchem-2135	91	76	val106	val106	NOUN
eurjchem-2135	91	77	pa	pa	PROPN
eurjchem-2135	91	78	5.34163	5.34163	NUM
eurjchem-2135	91	79	leu128	leu128	NOUN
eurjchem-2135	91	80	pa	pa	PROPN
eurjchem-2135	91	81	5.21248	5.21248	NUM
eurjchem-2135	91	82	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	91	83	-7.2	-7.2	PUNCT
eurjchem-2135	91	84	leu294	leu294	PROPN
eurjchem-2135	91	85	psi	psi	VERB
eurjchem-2135	91	86	3.70690	3.70690	NUM
eurjchem-2135	91	87	phe431	phe431	NOUN
eurjchem-2135	91	88	ppt	ppt	NOUN
eurjchem-2135	91	89	5.32222	5.32222	NUM
eurjchem-2135	91	90	ile423	ile423	PROPN
eurjchem-2135	91	91	a	a	DET
eurjchem-2135	91	92	5.19252	5.19252	NUM
eurjchem-2135	91	93	phe301	phe301	NOUN
eurjchem-2135	91	94	pa	pa	PROPN
eurjchem-2135	91	95	4.83225	4.83225	NUM
eurjchem-2135	91	96	lorazepam	lorazepam	NOUN
eurjchem-2135	91	97	-6.5	-6.5	PUNCT
eurjchem-2135	91	98	tyr126	tyr126	PROPN
eurjchem-2135	91	99	h	h	NOUN
eurjchem-2135	92	1	2.37002	2.37002	NUM
eurjchem-2135	92	2	leu128	leu128	NOUN
eurjchem-2135	92	3	pa	pa	PROPN
eurjchem-2135	92	4	5.27453	5.27453	NUM
eurjchem-2135	92	5	*	*	PUNCT
eurjchem-2135	92	6	h	h	NOUN
eurjchem-2135	92	7	:	:	PUNCT
eurjchem-2135	92	8	conventional	conventional	ADJ
eurjchem-2135	92	9	hydrogen	hydrogen	NOUN
eurjchem-2135	92	10	bond	bond	NOUN
eurjchem-2135	92	11	,	,	PUNCT
eurjchem-2135	92	12	c	c	NOUN
eurjchem-2135	92	13	:	:	PUNCT
eurjchem-2135	92	14	carbon	carbon	NOUN
eurjchem-2135	92	15	hydrogen	hydrogen	NOUN
eurjchem-2135	92	16	bond	bond	NOUN
eurjchem-2135	92	17	,	,	PUNCT
eurjchem-2135	92	18	pc	pc	NOUN
eurjchem-2135	92	19	:	:	PUNCT
eurjchem-2135	92	20	π	π	NOUN
eurjchem-2135	92	21	-	-	NOUN
eurjchem-2135	92	22	cation	cation	NOUN
eurjchem-2135	92	23	,	,	PUNCT
eurjchem-2135	92	24	pa	pa	PROPN
eurjchem-2135	92	25	:	:	PUNCT
eurjchem-2135	92	26	π	π	NOUN
eurjchem-2135	92	27	-	-	NOUN
eurjchem-2135	92	28	anion	anion	NOUN
eurjchem-2135	92	29	,	,	PUNCT
eurjchem-2135	92	30	a	a	DET
eurjchem-2135	92	31	:	:	PUNCT
eurjchem-2135	92	32	alkyl	alkyl	ADJ
eurjchem-2135	92	33	,	,	PUNCT
eurjchem-2135	92	34	pa	pa	NOUN
eurjchem-2135	92	35	:	:	PUNCT
eurjchem-2135	92	36	π	π	PROPN
eurjchem-2135	92	37	-	-	ADJ
eurjchem-2135	92	38	alkyl	alkyl	ADJ
eurjchem-2135	92	39	,	,	PUNCT
eurjchem-2135	92	40	psi	psi	NOUN
eurjchem-2135	92	41	:	:	PUNCT
eurjchem-2135	92	42	π	π	PROPN
eurjchem-2135	92	43	-	-	PUNCT
eurjchem-2135	92	44	sigma	sigma	PROPN
eurjchem-2135	92	45	,	,	PUNCT
eurjchem-2135	92	46	pps	pps	NOUN
eurjchem-2135	92	47	:	:	PUNCT
eurjchem-2135	92	48	π	π	PROPN
eurjchem-2135	92	49	-	-	PUNCT
eurjchem-2135	92	50	π	π	PROPN
eurjchem-2135	92	51	stacked	stack	VERB
eurjchem-2135	92	52	,	,	PUNCT
eurjchem-2135	92	53	pdh	pdh	PROPN
eurjchem-2135	92	54	:	:	PUNCT
eurjchem-2135	92	55	π	π	ADJ
eurjchem-2135	92	56	-	-	ADJ
eurjchem-2135	92	57	donor	donor	ADJ
eurjchem-2135	92	58	hydrogen	hydrogen	NOUN
eurjchem-2135	92	59	bond	bond	NOUN
eurjchem-2135	92	60	,	,	PUNCT
eurjchem-2135	92	61	ppt	ppt	PROPN
eurjchem-2135	92	62	:	:	PUNCT
eurjchem-2135	92	63	π	π	PROPN
eurjchem-2135	92	64	-	-	PUNCT
eurjchem-2135	92	65	π	π	PROPN
eurjchem-2135	92	66	t	t	NOUN
eurjchem-2135	92	67	-	-	PUNCT
eurjchem-2135	92	68	shaped	shape	VERB
eurjchem-2135	92	69	.	.	PUNCT
eurjchem-2135	93	1	figure	figure	NOUN
eurjchem-2135	93	2	4	4	NUM
eurjchem-2135	93	3	.	.	PUNCT
eurjchem-2135	94	1	molecular	molecular	ADJ
eurjchem-2135	94	2	electrostatic	electrostatic	ADJ
eurjchem-2135	94	3	potential	potential	ADJ
eurjchem-2135	94	4	map	map	NOUN
eurjchem-2135	94	5	of	of	ADP
eurjchem-2135	94	6	all	all	DET
eurjchem-2135	94	7	drugs	drug	NOUN
eurjchem-2135	94	8	.	.	PUNCT
eurjchem-2135	95	1	homo	homo	ADJ
eurjchem-2135	95	2	-	-	PUNCT
eurjchem-2135	95	3	lumo	lumo	NOUN
eurjchem-2135	95	4	gap	gap	NOUN
eurjchem-2135	95	5	as	as	ADV
eurjchem-2135	95	6	well	well	ADV
eurjchem-2135	95	7	as	as	ADP
eurjchem-2135	95	8	hardness	hardness	NOUN
eurjchem-2135	95	9	,	,	PUNCT
eurjchem-2135	95	10	softness	softness	NOUN
eurjchem-2135	95	11	,	,	PUNCT
eurjchem-2135	95	12	and	and	CCONJ
eurjchem-2135	95	13	chemical	chemical	NOUN
eurjchem-2135	95	14	potential	potential	NOUN
eurjchem-2135	95	15	were	be	AUX
eurjchem-2135	95	16	calculated	calculate	VERB
eurjchem-2135	95	17	for	for	ADP
eurjchem-2135	95	18	all	all	DET
eurjchem-2135	95	19	the	the	DET
eurjchem-2135	95	20	drugs	drug	NOUN
eurjchem-2135	95	21	(	(	PUNCT
eurjchem-2135	95	22	table	table	NOUN
eurjchem-2135	95	23	2	2	NUM
eurjchem-2135	95	24	)	)	PUNCT
eurjchem-2135	95	25	.	.	PUNCT
eurjchem-2135	96	1	in	in	ADP
eurjchem-2135	96	2	the	the	DET
eurjchem-2135	96	3	current	current	ADJ
eurjchem-2135	96	4	analysis	analysis	NOUN
eurjchem-2135	96	5	,	,	PUNCT
eurjchem-2135	96	6	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	96	7	shows	show	VERB
eurjchem-2135	96	8	the	the	DET
eurjchem-2135	96	9	lowest	low	ADJ
eurjchem-2135	96	10	homolumo	homolumo	ADJ
eurjchem-2135	96	11	gap	gap	NOUN
eurjchem-2135	96	12	(	(	PUNCT
eurjchem-2135	96	13	4.02	4.02	NUM
eurjchem-2135	96	14	ev	ev	NOUN
eurjchem-2135	96	15	)	)	PUNCT
eurjchem-2135	96	16	,	,	PUNCT
eurjchem-2135	96	17	and	and	CCONJ
eurjchem-2135	96	18	the	the	DET
eurjchem-2135	96	19	highest	high	ADJ
eurjchem-2135	96	20	softness	softness	ADJ
eurjchem-2135	96	21	value	value	NOUN
eurjchem-2135	96	22	(	(	PUNCT
eurjchem-2135	96	23	0.50	0.50	NUM
eurjchem-2135	96	24	ev	ev	NOUN
eurjchem-2135	96	25	)	)	PUNCT
eurjchem-2135	96	26	,	,	PUNCT
eurjchem-2135	96	27	which	which	PRON
eurjchem-2135	96	28	may	may	AUX
eurjchem-2135	96	29	contribute	contribute	VERB
eurjchem-2135	96	30	to	to	PART
eurjchem-2135	96	31	show	show	VERB
eurjchem-2135	96	32	higher	high	ADJ
eurjchem-2135	96	33	chemical	chemical	NOUN
eurjchem-2135	96	34	activity	activity	NOUN
eurjchem-2135	96	35	and	and	CCONJ
eurjchem-2135	96	36	polarizability	polarizability	NOUN
eurjchem-2135	96	37	than	than	ADP
eurjchem-2135	96	38	others	other	NOUN
eurjchem-2135	96	39	.	.	PUNCT
eurjchem-2135	97	1	3.3	3.3	NUM
eurjchem-2135	97	2	.	.	PUNCT
eurjchem-2135	98	1	molecular	molecular	ADJ
eurjchem-2135	98	2	electrostatic	electrostatic	ADJ
eurjchem-2135	98	3	potential	potential	ADJ
eurjchem-2135	98	4	analysis	analysis	NOUN
eurjchem-2135	98	5	the	the	DET
eurjchem-2135	98	6	molecular	molecular	ADJ
eurjchem-2135	98	7	electrostatic	electrostatic	ADJ
eurjchem-2135	98	8	potential	potential	NOUN
eurjchem-2135	98	9	(	(	PUNCT
eurjchem-2135	98	10	mep	mep	PROPN
eurjchem-2135	98	11	)	)	PUNCT
eurjchem-2135	98	12	calculation	calculation	NOUN
eurjchem-2135	98	13	helps	help	VERB
eurjchem-2135	98	14	to	to	PART
eurjchem-2135	98	15	search	search	VERB
eurjchem-2135	98	16	the	the	DET
eurjchem-2135	98	17	position	position	NOUN
eurjchem-2135	98	18	of	of	ADP
eurjchem-2135	98	19	possible	possible	ADJ
eurjchem-2135	98	20	electrophilic	electrophilic	ADJ
eurjchem-2135	98	21	and	and	CCONJ
eurjchem-2135	98	22	nucleophilic	nucleophilic	ADJ
eurjchem-2135	98	23	attacks	attack	NOUN
eurjchem-2135	98	24	.	.	PUNCT
eurjchem-2135	99	1	it	it	PRON
eurjchem-2135	99	2	also	also	ADV
eurjchem-2135	99	3	helps	help	VERB
eurjchem-2135	99	4	to	to	PART
eurjchem-2135	99	5	interpret	interpret	VERB
eurjchem-2135	99	6	the	the	DET
eurjchem-2135	99	7	biological	biological	ADJ
eurjchem-2135	99	8	recognition	recognition	NOUN
eurjchem-2135	99	9	process	process	NOUN
eurjchem-2135	99	10	and	and	CCONJ
eurjchem-2135	99	11	the	the	DET
eurjchem-2135	99	12	hydrogen	hydrogen	NOUN
eurjchem-2135	99	13	bonding	bonding	NOUN
eurjchem-2135	99	14	interaction	interaction	NOUN
eurjchem-2135	99	15	[	[	X
eurjchem-2135	99	16	27	27	NUM
eurjchem-2135	99	17	]	]	PUNCT
eurjchem-2135	99	18	.	.	PUNCT
eurjchem-2135	100	1	possible	possible	ADJ
eurjchem-2135	100	2	electrophilic	electrophilic	ADJ
eurjchem-2135	100	3	attacks	attack	NOUN
eurjchem-2135	100	4	and	and	CCONJ
eurjchem-2135	100	5	negative	negative	ADJ
eurjchem-2135	100	6	potentiality	potentiality	NOUN
eurjchem-2135	100	7	are	be	AUX
eurjchem-2135	100	8	represented	represent	VERB
eurjchem-2135	100	9	by	by	ADP
eurjchem-2135	100	10	red	red	ADJ
eurjchem-2135	100	11	color	color	NOUN
eurjchem-2135	100	12	.	.	PUNCT
eurjchem-2135	101	1	meanwhile	meanwhile	ADV
eurjchem-2135	101	2	,	,	PUNCT
eurjchem-2135	101	3	the	the	DET
eurjchem-2135	101	4	blue	blue	ADJ
eurjchem-2135	101	5	color	color	NOUN
eurjchem-2135	101	6	discloses	disclose	VERB
eurjchem-2135	101	7	the	the	DET
eurjchem-2135	101	8	possible	possible	ADJ
eurjchem-2135	101	9	nucleophilic	nucleophilic	ADJ
eurjchem-2135	101	10	attack	attack	NOUN
eurjchem-2135	101	11	and	and	CCONJ
eurjchem-2135	101	12	the	the	DET
eurjchem-2135	101	13	positive	positive	ADJ
eurjchem-2135	101	14	potential	potential	ADJ
eurjchem-2135	101	15	area	area	NOUN
eurjchem-2135	101	16	.	.	PUNCT
eurjchem-2135	102	1	here	here	ADV
eurjchem-2135	102	2	,	,	PUNCT
eurjchem-2135	102	3	the	the	DET
eurjchem-2135	102	4	maximum	maximum	ADJ
eurjchem-2135	102	5	negative	negative	ADJ
eurjchem-2135	102	6	potentiality	potentiality	NOUN
eurjchem-2135	102	7	of	of	ADP
eurjchem-2135	102	8	bromazepam	bromazepam	NOUN
eurjchem-2135	102	9	is	be	AUX
eurjchem-2135	102	10	-8.727	-8.727	PUNCT
eurjchem-2135	102	11	e-1	e-1	PROPN
eurjchem-2135	102	12	a.u	a.u	PROPN
eurjchem-2135	102	13	.	.	PROPN
eurjchem-2135	103	1	(	(	PUNCT
eurjchem-2135	103	2	deep	deep	ADJ
eurjchem-2135	103	3	red	red	NOUN
eurjchem-2135	103	4	)	)	PUNCT
eurjchem-2135	103	5	for	for	ADP
eurjchem-2135	103	6	oxygen	oxygen	NOUN
eurjchem-2135	103	7	atoms	atom	NOUN
eurjchem-2135	103	8	and	and	CCONJ
eurjchem-2135	103	9	the	the	DET
eurjchem-2135	103	10	maximum	maximum	ADJ
eurjchem-2135	103	11	positive	positive	ADJ
eurjchem-2135	103	12	region	region	NOUN
eurjchem-2135	103	13	is	be	AUX
eurjchem-2135	103	14	localized	localize	VERB
eurjchem-2135	103	15	on	on	ADP
eurjchem-2135	103	16	the	the	DET
eurjchem-2135	103	17	hydrogen	hydrogen	NOUN
eurjchem-2135	103	18	atoms	atom	NOUN
eurjchem-2135	103	19	of	of	ADP
eurjchem-2135	103	20	the	the	DET
eurjchem-2135	103	21	same	same	ADJ
eurjchem-2135	103	22	having	having	NOUN
eurjchem-2135	103	23	value	value	NOUN
eurjchem-2135	103	24	+8.727	+8.727	PROPN
eurjchem-2135	103	25	e-1	e-1	PROPN
eurjchem-2135	103	26	a.u	a.u	PROPN
eurjchem-2135	103	27	.	.	PROPN
eurjchem-2135	104	1	(	(	PUNCT
eurjchem-2135	104	2	deep	deep	ADJ
eurjchem-2135	104	3	blue	blue	NOUN
eurjchem-2135	104	4	)	)	PUNCT
eurjchem-2135	104	5	.	.	PUNCT
eurjchem-2135	105	1	the	the	DET
eurjchem-2135	105	2	molecular	molecular	ADJ
eurjchem-2135	105	3	electrostatic	electrostatic	ADJ
eurjchem-2135	105	4	potential	potential	ADJ
eurjchem-2135	105	5	map	map	NOUN
eurjchem-2135	105	6	of	of	ADP
eurjchem-2135	105	7	all	all	DET
eurjchem-2135	105	8	drugs	drug	NOUN
eurjchem-2135	105	9	is	be	AUX
eurjchem-2135	105	10	given	give	VERB
eurjchem-2135	105	11	in	in	ADP
eurjchem-2135	105	12	figure	figure	NOUN
eurjchem-2135	105	13	4	4	NUM
eurjchem-2135	105	14	.	.	ADP
eurjchem-2135	105	15	3.4	3.4	NUM
eurjchem-2135	105	16	.	.	PUNCT
eurjchem-2135	106	1	binding	bind	VERB
eurjchem-2135	106	2	affinity	affinity	NOUN
eurjchem-2135	106	3	and	and	CCONJ
eurjchem-2135	106	4	interactions	interaction	NOUN
eurjchem-2135	106	5	of	of	ADP
eurjchem-2135	106	6	bz	bz	PROPN
eurjchem-2135	106	7	drugs	drug	NOUN
eurjchem-2135	106	8	with	with	ADP
eurjchem-2135	106	9	4cof	4cof	NUM
eurjchem-2135	106	10	the	the	DET
eurjchem-2135	106	11	binding	bind	VERB
eurjchem-2135	106	12	affinities	affinity	NOUN
eurjchem-2135	106	13	and	and	CCONJ
eurjchem-2135	106	14	drug	drug	NOUN
eurjchem-2135	106	15	-	-	PUNCT
eurjchem-2135	106	16	protein	protein	NOUN
eurjchem-2135	106	17	interactions	interaction	NOUN
eurjchem-2135	106	18	of	of	ADP
eurjchem-2135	106	19	all	all	DET
eurjchem-2135	106	20	drugs	drug	NOUN
eurjchem-2135	106	21	are	be	AUX
eurjchem-2135	106	22	summarized	summarize	VERB
eurjchem-2135	106	23	in	in	ADP
eurjchem-2135	106	24	table	table	NOUN
eurjchem-2135	106	25	3	3	NUM
eurjchem-2135	106	26	.	.	PUNCT
eurjchem-2135	106	27	prepared	prepare	VERB
eurjchem-2135	106	28	protein	protein	NOUN
eurjchem-2135	106	29	chains	chain	NOUN
eurjchem-2135	106	30	(	(	PUNCT
eurjchem-2135	106	31	4cof	4cof	NUM
eurjchem-2135	106	32	/	/	SYM
eurjchem-2135	106	33	a	a	NOUN
eurjchem-2135	106	34	)	)	PUNCT
eurjchem-2135	106	35	and	and	CCONJ
eurjchem-2135	106	36	docked	dock	VERB
eurjchem-2135	106	37	conformation	conformation	NOUN
eurjchem-2135	106	38	of	of	ADP
eurjchem-2135	106	39	bromazepam	bromazepam	NOUN
eurjchem-2135	106	40	and	and	CCONJ
eurjchem-2135	106	41	diazepam	diazepam	VERB
eurjchem-2135	106	42	at	at	ADP
eurjchem-2135	106	43	the	the	DET
eurjchem-2135	106	44	binding	bind	VERB
eurjchem-2135	106	45	site	site	NOUN
eurjchem-2135	106	46	of	of	ADP
eurjchem-2135	106	47	4cof	4cof	PROPN
eurjchem-2135	106	48	/	/	SYM
eurjchem-2135	106	49	a	a	PRON
eurjchem-2135	106	50	are	be	AUX
eurjchem-2135	106	51	shown	show	VERB
eurjchem-2135	106	52	in	in	ADP
eurjchem-2135	106	53	figure	figure	NOUN
eurjchem-2135	106	54	5	5	NUM
eurjchem-2135	106	55	.	.	PUNCT
eurjchem-2135	107	1	a	a	DET
eurjchem-2135	107	2	higher	high	ADJ
eurjchem-2135	107	3	negative	negative	ADJ
eurjchem-2135	107	4	value	value	NOUN
eurjchem-2135	107	5	of	of	ADP
eurjchem-2135	107	6	the	the	DET
eurjchem-2135	107	7	binding	bind	VERB
eurjchem-2135	107	8	affinity	affinity	NOUN
eurjchem-2135	107	9	indicates	indicate	VERB
eurjchem-2135	107	10	a	a	DET
eurjchem-2135	107	11	stronger	strong	ADJ
eurjchem-2135	107	12	binding	binding	NOUN
eurjchem-2135	107	13	between	between	ADP
eurjchem-2135	107	14	the	the	DET
eurjchem-2135	107	15	drugs	drug	NOUN
eurjchem-2135	107	16	and	and	CCONJ
eurjchem-2135	107	17	the	the	DET
eurjchem-2135	107	18	receptor	receptor	NOUN
eurjchem-2135	107	19	.	.	PUNCT
eurjchem-2135	108	1	amino	amino	NOUN
eurjchem-2135	108	2	acid	acid	NOUN
eurjchem-2135	108	3	residues	residue	NOUN
eurjchem-2135	108	4	of	of	ADP
eurjchem-2135	108	5	4cof	4cof	PROPN
eurjchem-2135	108	6	/	/	SYM
eurjchem-2135	108	7	a	a	NOUN
eurjchem-2135	108	8	;	;	PUNCT
eurjchem-2135	108	9	pro94	pro94	NOUN
eurjchem-2135	108	10	,	,	PUNCT
eurjchem-2135	108	11	thr96	thr96	PROPN
eurjchem-2135	108	12	,	,	PUNCT
eurjchem-2135	108	13	phe98	phe98	NOUN
eurjchem-2135	108	14	,	,	PUNCT
eurjchem-2135	108	15	phe431	phe431	PROPN
eurjchem-2135	108	16	,	,	PUNCT
eurjchem-2135	108	17	val106	val106	PROPN
eurjchem-2135	108	18	,	,	PUNCT
eurjchem-2135	108	19	val430	val430	PROPN
eurjchem-2135	108	20	,	,	PUNCT
eurjchem-2135	108	21	leu128	leu128	NOUN
eurjchem-2135	108	22	,	,	PUNCT
eurjchem-2135	108	23	leu294	leu294	PROPN
eurjchem-2135	108	24	,	,	PUNCT
eurjchem-2135	108	25	leu297	leu297	PROPN
eurjchem-2135	108	26	,	,	PUNCT
eurjchem-2135	108	27	gln65	gln65	NOUN
eurjchem-2135	108	28	,	,	PUNCT
eurjchem-2135	108	29	ile423	ile423	PROPN
eurjchem-2135	108	30	,	,	PUNCT
eurjchem-2135	108	31	glu298	glu298	PROPN
eurjchem-2135	108	32	,	,	PUNCT
eurjchem-2135	108	33	ser427	ser427	PROPN
eurjchem-2135	108	34	are	be	AUX
eurjchem-2135	108	35	involved	involve	VERB
eurjchem-2135	108	36	in	in	ADP
eurjchem-2135	108	37	binding	bind	VERB
eurjchem-2135	108	38	sites	site	NOUN
eurjchem-2135	108	39	with	with	ADP
eurjchem-2135	108	40	drugs	drug	NOUN
eurjchem-2135	108	41	.	.	PUNCT
eurjchem-2135	109	1	the	the	DET
eurjchem-2135	109	2	binding	bind	VERB
eurjchem-2135	109	3	affinity	affinity	NOUN
eurjchem-2135	109	4	of	of	ADP
eurjchem-2135	109	5	alprazolam	alprazolam	PROPN
eurjchem-2135	109	6	is	be	AUX
eurjchem-2135	109	7	-7.4	-7.4	PROPN
eurjchem-2135	109	8	kcal	kcal	PROPN
eurjchem-2135	109	9	/	/	SYM
eurjchem-2135	109	10	mol	mol	PROPN
eurjchem-2135	109	11	,	,	PUNCT
eurjchem-2135	109	12	where	where	SCONJ
eurjchem-2135	109	13	those	those	PRON
eurjchem-2135	109	14	of	of	ADP
eurjchem-2135	109	15	diazepam	diazepam	NOUN
eurjchem-2135	109	16	and	and	CCONJ
eurjchem-2135	109	17	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	109	18	are	be	AUX
eurjchem-2135	109	19	-6.9	-6.9	ADJ
eurjchem-2135	109	20	and	and	CCONJ
eurjchem-2135	109	21	-7.2	-7.2	PROPN
eurjchem-2135	109	22	kcal	kcal	PROPN
eurjchem-2135	109	23	/	/	SYM
eurjchem-2135	109	24	mol	mol	PROPN
eurjchem-2135	109	25	,	,	PUNCT
eurjchem-2135	109	26	respectively	respectively	ADV
eurjchem-2135	109	27	.	.	PUNCT
eurjchem-2135	110	1	decreased	decrease	VERB
eurjchem-2135	110	2	binding	bind	VERB
eurjchem-2135	110	3	affinity	affinity	NOUN
eurjchem-2135	110	4	is	be	AUX
eurjchem-2135	110	5	found	find	VERB
eurjchem-2135	110	6	in	in	ADP
eurjchem-2135	110	7	bromazepam	bromazepam	NOUN
eurjchem-2135	110	8	(	(	PUNCT
eurjchem-2135	110	9	-6.4	-6.4	PROPN
eurjchem-2135	110	10	kcal	kcal	PROPN
eurjchem-2135	110	11	/	/	SYM
eurjchem-2135	110	12	mol	mol	NOUN
eurjchem-2135	110	13	)	)	PUNCT
eurjchem-2135	110	14	and	and	CCONJ
eurjchem-2135	110	15	lorazepam	lorazepam	PROPN
eurjchem-2135	110	16	(	(	PUNCT
eurjchem-2135	110	17	-6.5	-6.5	X
eurjchem-2135	110	18	kcal	kcal	PROPN
eurjchem-2135	110	19	/	/	SYM
eurjchem-2135	110	20	mol	mol	NOUN
eurjchem-2135	110	21	)	)	PUNCT
eurjchem-2135	110	22	,	,	PUNCT
eurjchem-2135	110	23	respectively	respectively	ADV
eurjchem-2135	110	24	.	.	PUNCT
eurjchem-2135	111	1	among	among	ADP
eurjchem-2135	111	2	various	various	ADJ
eurjchem-2135	111	3	factors	factor	NOUN
eurjchem-2135	111	4	,	,	PUNCT
eurjchem-2135	111	5	hydrogen	hydrogen	NOUN
eurjchem-2135	111	6	bonding	bonding	NOUN
eurjchem-2135	111	7	,	,	PUNCT
eurjchem-2135	111	8	carbon	carbon	NOUN
eurjchem-2135	111	9	-	-	PUNCT
eurjchem-2135	111	10	hydrogen	hydrogen	NOUN
eurjchem-2135	111	11	bond	bond	NOUN
eurjchem-2135	111	12	,	,	PUNCT
eurjchem-2135	111	13	and	and	CCONJ
eurjchem-2135	111	14	alkyl	alkyl	ADJ
eurjchem-2135	111	15	bonds	bond	NOUN
eurjchem-2135	111	16	can	can	AUX
eurjchem-2135	111	17	affect	affect	VERB
eurjchem-2135	111	18	the	the	DET
eurjchem-2135	111	19	selectivity	selectivity	NOUN
eurjchem-2135	111	20	of	of	ADP
eurjchem-2135	111	21	nucleotide	nucleotide	ADJ
eurjchem-2135	111	22	incorporation	incorporation	NOUN
eurjchem-2135	111	23	by	by	ADP
eurjchem-2135	111	24	a	a	DET
eurjchem-2135	111	25	dna	dna	PROPN
eurjchem-2135	111	26	polymerase	polymerase	NOUN
eurjchem-2135	111	27	.	.	PUNCT
eurjchem-2135	112	1	hydrogen	hydrogen	NOUN
eurjchem-2135	112	2	bond	bond	NOUN
eurjchem-2135	112	3	of	of	ADP
eurjchem-2135	112	4	<	<	X
eurjchem-2135	112	5	2.3	2.3	NUM
eurjchem-2135	112	6	å	å	NOUN
eurjchem-2135	112	7	is	be	AUX
eurjchem-2135	112	8	able	able	ADJ
eurjchem-2135	112	9	to	to	PART
eurjchem-2135	112	10	increase	increase	VERB
eurjchem-2135	112	11	the	the	DET
eurjchem-2135	112	12	binding	bind	VERB
eurjchem-2135	112	13	affinity	affinity	NOUN
eurjchem-2135	112	14	by	by	ADP
eurjchem-2135	112	15	several	several	ADJ
eurjchem-2135	112	16	magnitude	magnitude	NOUN
eurjchem-2135	112	17	[	[	X
eurjchem-2135	112	18	28	28	NUM
eurjchem-2135	112	19	]	]	PUNCT
eurjchem-2135	112	20	.	.	PUNCT
eurjchem-2135	113	1	some	some	DET
eurjchem-2135	113	2	significant	significant	ADJ
eurjchem-2135	113	3	hydrogen	hydrogen	NOUN
eurjchem-2135	113	4	bonds	bond	NOUN
eurjchem-2135	113	5	and	and	CCONJ
eurjchem-2135	113	6	c	c	NOUN
eurjchem-2135	113	7	-	-	PUNCT
eurjchem-2135	113	8	h	h	NOUN
eurjchem-2135	113	9	bonds	bond	NOUN
eurjchem-2135	113	10	are	be	AUX
eurjchem-2135	113	11	observed	observe	VERB
eurjchem-2135	113	12	in	in	ADP
eurjchem-2135	113	13	alprazolam	alprazolam	PROPN
eurjchem-2135	113	14	with	with	ADP
eurjchem-2135	113	15	the	the	DET
eurjchem-2135	113	16	amino	amino	NOUN
eurjchem-2135	113	17	acid	acid	NOUN
eurjchem-2135	113	18	residues	residue	NOUN
eurjchem-2135	113	19	;	;	PUNCT
eurjchem-2135	113	20	tyr220	tyr220	PROPN
eurjchem-2135	113	21	,	,	PUNCT
eurjchem-2135	113	22	thr271	thr271	NOUN
eurjchem-2135	113	23	and	and	CCONJ
eurjchem-2135	113	24	glu52	glu52	VERB
eurjchem-2135	113	25	(	(	PUNCT
eurjchem-2135	113	26	table	table	NOUN
eurjchem-2135	113	27	3	3	NUM
eurjchem-2135	113	28	)	)	PUNCT
eurjchem-2135	113	29	.	.	PUNCT
eurjchem-2135	114	1	416	416	NUM
eurjchem-2135	114	2	uzzaman	uzzaman	NOUN
eurjchem-2135	114	3	et	et	PROPN
eurjchem-2135	114	4	al	al	PROPN
eurjchem-2135	114	5	.	.	PUNCT
eurjchem-2135	114	6	/	/	SYM
eurjchem-2135	114	7	european	european	PROPN
eurjchem-2135	114	8	journal	journal	PROPN
eurjchem-2135	114	9	of	of	ADP
eurjchem-2135	114	10	chemistry	chemistry	NOUN
eurjchem-2135	114	11	12	12	NUM
eurjchem-2135	114	12	(	(	PUNCT
eurjchem-2135	114	13	4	4	NUM
eurjchem-2135	114	14	)	)	PUNCT
eurjchem-2135	114	15	(	(	PUNCT
eurjchem-2135	114	16	2021	2021	NUM
eurjchem-2135	114	17	)	)	PUNCT
eurjchem-2135	114	18	412	412	NUM
eurjchem-2135	114	19	-	-	SYM
eurjchem-2135	114	20	418	418	NUM
eurjchem-2135	114	21	2021	2021	NUM
eurjchem-2135	114	22	–	–	PUNCT
eurjchem-2135	114	23	european	european	ADJ
eurjchem-2135	114	24	journal	journal	NOUN
eurjchem-2135	114	25	of	of	ADP
eurjchem-2135	114	26	chemistry	chemistry	NOUN
eurjchem-2135	114	27	–	–	PUNCT
eurjchem-2135	114	28	cc	cc	NOUN
eurjchem-2135	114	29	by	by	ADP
eurjchem-2135	114	30	nc	nc	PROPN
eurjchem-2135	114	31	–	–	PUNCT
eurjchem-2135	114	32	doi	doi	PROPN
eurjchem-2135	114	33	:	:	PUNCT
eurjchem-2135	114	34	10.5155	10.5155	NUM
eurjchem-2135	114	35	/	/	SYM
eurjchem-2135	114	36	eurjchem.12.4.412	eurjchem.12.4.412	NOUN
eurjchem-2135	114	37	-	-	SYM
eurjchem-2135	114	38	418.2135	418.2135	NUM
eurjchem-2135	114	39	figure	figure	NOUN
eurjchem-2135	114	40	5	5	NUM
eurjchem-2135	114	41	.	.	PUNCT
eurjchem-2135	114	42	docked	dock	VERB
eurjchem-2135	114	43	conformation	conformation	NOUN
eurjchem-2135	114	44	of	of	ADP
eurjchem-2135	114	45	bromazepam	bromazepam	NOUN
eurjchem-2135	114	46	and	and	CCONJ
eurjchem-2135	114	47	diazepam	diazepam	VERB
eurjchem-2135	114	48	at	at	ADP
eurjchem-2135	114	49	the	the	DET
eurjchem-2135	114	50	binding	bind	VERB
eurjchem-2135	114	51	site	site	NOUN
eurjchem-2135	114	52	of	of	ADP
eurjchem-2135	114	53	receptor	receptor	NOUN
eurjchem-2135	114	54	protein	protein	NOUN
eurjchem-2135	115	1	4cof	4cof	PROPN
eurjchem-2135	115	2	.	.	PUNCT
eurjchem-2135	116	1	alprazolam	alprazolam	PROPN
eurjchem-2135	116	2	bromazepam	bromazepam	PROPN
eurjchem-2135	116	3	diazepam	diazepam	NOUN
eurjchem-2135	116	4	flunitrazepam	flunitrazepam	PROPN
eurjchem-2135	116	5	lorazepam	lorazepam	PROPN
eurjchem-2135	116	6	figure	figure	NOUN
eurjchem-2135	116	7	6	6	NUM
eurjchem-2135	116	8	.	.	PUNCT
eurjchem-2135	117	1	nonbonding	nonbonde	VERB
eurjchem-2135	117	2	interactions	interaction	NOUN
eurjchem-2135	117	3	of	of	ADP
eurjchem-2135	117	4	all	all	DET
eurjchem-2135	117	5	drugs	drug	NOUN
eurjchem-2135	117	6	with	with	ADP
eurjchem-2135	117	7	4cof	4cof	PROPN
eurjchem-2135	117	8	generated	generate	VERB
eurjchem-2135	117	9	by	by	ADP
eurjchem-2135	117	10	discovery	discovery	NOUN
eurjchem-2135	117	11	studio	studio	NOUN
eurjchem-2135	117	12	.	.	PUNCT
eurjchem-2135	118	1	non	non	ADJ
eurjchem-2135	118	2	-	-	ADJ
eurjchem-2135	118	3	bonding	bonding	ADJ
eurjchem-2135	118	4	interactions	interaction	NOUN
eurjchem-2135	118	5	of	of	ADP
eurjchem-2135	118	6	all	all	DET
eurjchem-2135	118	7	drugs	drug	NOUN
eurjchem-2135	118	8	and	and	CCONJ
eurjchem-2135	118	9	the	the	DET
eurjchem-2135	118	10	hydrogen	hydrogen	NOUN
eurjchem-2135	118	11	bond	bond	NOUN
eurjchem-2135	118	12	surface	surface	NOUN
eurjchem-2135	118	13	of	of	ADP
eurjchem-2135	118	14	bromazepam	bromazepam	NOUN
eurjchem-2135	118	15	and	and	CCONJ
eurjchem-2135	118	16	diazepam	diazepam	VERB
eurjchem-2135	118	17	with	with	ADP
eurjchem-2135	118	18	4cof	4cof	PROPN
eurjchem-2135	118	19	are	be	AUX
eurjchem-2135	118	20	shown	show	VERB
eurjchem-2135	118	21	in	in	ADP
eurjchem-2135	118	22	figures	figure	NOUN
eurjchem-2135	118	23	6	6	NUM
eurjchem-2135	118	24	and	and	CCONJ
eurjchem-2135	118	25	7	7	NUM
eurjchem-2135	118	26	,	,	PUNCT
eurjchem-2135	118	27	respectively	respectively	ADV
eurjchem-2135	118	28	.	.	PUNCT
eurjchem-2135	119	1	in	in	ADP
eurjchem-2135	119	2	the	the	DET
eurjchem-2135	119	3	alprazolam	alprazolam	PROPN
eurjchem-2135	119	4	-4cof	-4cof	PROPN
eurjchem-2135	119	5	docked	dock	VERB
eurjchem-2135	119	6	structure	structure	NOUN
eurjchem-2135	119	7	,	,	PUNCT
eurjchem-2135	119	8	multiple	multiple	ADJ
eurjchem-2135	119	9	non	non	ADJ
eurjchem-2135	119	10	-	-	ADJ
eurjchem-2135	119	11	bonded	bond	VERB
eurjchem-2135	119	12	interactions	interaction	NOUN
eurjchem-2135	119	13	were	be	AUX
eurjchem-2135	119	14	observed	observe	VERB
eurjchem-2135	119	15	and	and	CCONJ
eurjchem-2135	119	16	the	the	DET
eurjchem-2135	119	17	bond	bond	NOUN
eurjchem-2135	119	18	distance	distance	NOUN
eurjchem-2135	119	19	increases	increase	VERB
eurjchem-2135	119	20	with	with	ADP
eurjchem-2135	119	21	val53	val53	NOUN
eurjchem-2135	119	22	and	and	CCONJ
eurjchem-2135	119	23	tyr220	tyr220	PROPN
eurjchem-2135	119	24	due	due	ADP
eurjchem-2135	119	25	to	to	ADP
eurjchem-2135	119	26	π	π	PROPN
eurjchem-2135	119	27	-	-	ADJ
eurjchem-2135	119	28	alkyl	alkyl	ADJ
eurjchem-2135	119	29	interaction	interaction	NOUN
eurjchem-2135	119	30	.	.	PUNCT
eurjchem-2135	120	1	in	in	ADP
eurjchem-2135	120	2	addition	addition	NOUN
eurjchem-2135	120	3	,	,	PUNCT
eurjchem-2135	120	4	some	some	DET
eurjchem-2135	120	5	noncovalent	noncovalent	ADJ
eurjchem-2135	120	6	interactions	interaction	NOUN
eurjchem-2135	120	7	such	such	ADJ
eurjchem-2135	120	8	as	as	ADP
eurjchem-2135	120	9	hydrogen	hydrogen	NOUN
eurjchem-2135	120	10	bonds	bond	NOUN
eurjchem-2135	120	11	and	and	CCONJ
eurjchem-2135	120	12	hydrophobic	hydrophobic	NOUN
eurjchem-2135	120	13	interaction	interaction	NOUN
eurjchem-2135	120	14	are	be	AUX
eurjchem-2135	120	15	involved	involve	VERB
eurjchem-2135	120	16	in	in	ADP
eurjchem-2135	120	17	the	the	DET
eurjchem-2135	120	18	binding	binding	NOUN
eurjchem-2135	120	19	of	of	ADP
eurjchem-2135	120	20	the	the	DET
eurjchem-2135	120	21	examined	examine	VERB
eurjchem-2135	120	22	drugs	drug	NOUN
eurjchem-2135	120	23	.	.	PUNCT
eurjchem-2135	121	1	no	no	DET
eurjchem-2135	121	2	hydrogen	hydrogen	NOUN
eurjchem-2135	121	3	bond	bond	NOUN
eurjchem-2135	121	4	interaction	interaction	NOUN
eurjchem-2135	121	5	was	be	AUX
eurjchem-2135	121	6	found	find	VERB
eurjchem-2135	121	7	in	in	ADP
eurjchem-2135	121	8	the	the	DET
eurjchem-2135	121	9	case	case	NOUN
eurjchem-2135	121	10	of	of	ADP
eurjchem-2135	121	11	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	121	12	,	,	PUNCT
eurjchem-2135	121	13	instead	instead	ADV
eurjchem-2135	121	14	alkyl	alkyl	ADJ
eurjchem-2135	121	15	and	and	CCONJ
eurjchem-2135	121	16	-sigma	-sigma	NOUN
eurjchem-2135	121	17	bond	bond	NOUN
eurjchem-2135	121	18	interactions	interaction	NOUN
eurjchem-2135	121	19	with	with	ADP
eurjchem-2135	121	20	ile423	ile423	PROPN
eurjchem-2135	121	21	and	and	CCONJ
eurjchem-2135	121	22	leu294	leu294	PROPN
eurjchem-2135	121	23	residues	residue	NOUN
eurjchem-2135	121	24	,	,	PUNCT
eurjchem-2135	121	25	respectively	respectively	ADV
eurjchem-2135	121	26	,	,	PUNCT
eurjchem-2135	121	27	were	be	AUX
eurjchem-2135	121	28	observed	observe	VERB
eurjchem-2135	121	29	.	.	PUNCT
eurjchem-2135	122	1	a	a	DET
eurjchem-2135	122	2	special	special	ADJ
eurjchem-2135	122	3	type	type	NOUN
eurjchem-2135	122	4	of	of	ADP
eurjchem-2135	122	5	π	π	PROPN
eurjchem-2135	122	6	-	-	PROPN
eurjchem-2135	122	7	π	π	PROPN
eurjchem-2135	122	8	t	t	PROPN
eurjchem-2135	122	9	shaped	shape	VERB
eurjchem-2135	122	10	ppt	ppt	NOUN
eurjchem-2135	122	11	interaction	interaction	NOUN
eurjchem-2135	122	12	with	with	ADP
eurjchem-2135	122	13	phe431	phe431	NOUN
eurjchem-2135	122	14	is	be	AUX
eurjchem-2135	122	15	supposed	suppose	VERB
eurjchem-2135	122	16	to	to	PART
eurjchem-2135	122	17	increase	increase	VERB
eurjchem-2135	122	18	the	the	DET
eurjchem-2135	122	19	binding	bind	VERB
eurjchem-2135	122	20	affinity	affinity	NOUN
eurjchem-2135	122	21	of	of	ADP
eurjchem-2135	122	22	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	122	23	.	.	PUNCT
eurjchem-2135	123	1	improved	improve	VERB
eurjchem-2135	123	2	hydrogen	hydrogen	NOUN
eurjchem-2135	123	3	bonding	bonding	NOUN
eurjchem-2135	123	4	observed	observe	VERB
eurjchem-2135	123	5	in	in	ADP
eurjchem-2135	123	6	alprazolam	alprazolam	PROPN
eurjchem-2135	123	7	not	not	PART
eurjchem-2135	123	8	only	only	ADV
eurjchem-2135	123	9	contributes	contribute	VERB
eurjchem-2135	123	10	in	in	ADP
eurjchem-2135	123	11	increasing	increase	VERB
eurjchem-2135	123	12	binding	bind	VERB
eurjchem-2135	123	13	affinity	affinity	NOUN
eurjchem-2135	123	14	but	but	CCONJ
eurjchem-2135	123	15	also	also	ADV
eurjchem-2135	123	16	increase	increase	VERB
eurjchem-2135	123	17	binding	bind	VERB
eurjchem-2135	123	18	specialty	specialty	NOUN
eurjchem-2135	123	19	[	[	X
eurjchem-2135	123	20	29,30	29,30	NUM
eurjchem-2135	123	21	]	]	PUNCT
eurjchem-2135	123	22	.	.	PUNCT
eurjchem-2135	124	1	uzzaman	uzzaman	NOUN
eurjchem-2135	124	2	et	et	PROPN
eurjchem-2135	124	3	al	al	PROPN
eurjchem-2135	124	4	.	.	PUNCT
eurjchem-2135	124	5	/	/	SYM
eurjchem-2135	124	6	european	european	PROPN
eurjchem-2135	124	7	journal	journal	PROPN
eurjchem-2135	124	8	of	of	ADP
eurjchem-2135	124	9	chemistry	chemistry	NOUN
eurjchem-2135	124	10	12	12	NUM
eurjchem-2135	124	11	(	(	PUNCT
eurjchem-2135	124	12	4	4	NUM
eurjchem-2135	124	13	)	)	PUNCT
eurjchem-2135	124	14	(	(	PUNCT
eurjchem-2135	124	15	2021	2021	NUM
eurjchem-2135	124	16	)	)	PUNCT
eurjchem-2135	124	17	412	412	NUM
eurjchem-2135	124	18	-	-	SYM
eurjchem-2135	124	19	418	418	NUM
eurjchem-2135	124	20	417	417	NUM
eurjchem-2135	124	21	2021	2021	NUM
eurjchem-2135	124	22	–	–	PUNCT
eurjchem-2135	124	23	european	european	ADJ
eurjchem-2135	124	24	journal	journal	NOUN
eurjchem-2135	124	25	of	of	ADP
eurjchem-2135	124	26	chemistry	chemistry	NOUN
eurjchem-2135	124	27	–	–	PUNCT
eurjchem-2135	124	28	cc	cc	NOUN
eurjchem-2135	124	29	by	by	ADP
eurjchem-2135	124	30	nc	nc	PROPN
eurjchem-2135	124	31	–	–	PUNCT
eurjchem-2135	124	32	doi	doi	PROPN
eurjchem-2135	124	33	:	:	PUNCT
eurjchem-2135	124	34	10.5155	10.5155	NUM
eurjchem-2135	124	35	/	/	SYM
eurjchem-2135	124	36	eurjchem.12.4.412	eurjchem.12.4.412	NOUN
eurjchem-2135	124	37	-	-	PUNCT
eurjchem-2135	124	38	418.2135	418.2135	NUM
eurjchem-2135	124	39	table	table	NOUN
eurjchem-2135	124	40	4	4	NUM
eurjchem-2135	124	41	.	.	PUNCT
eurjchem-2135	124	42	selected	select	VERB
eurjchem-2135	124	43	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-2135	124	44	parameters	parameter	NOUN
eurjchem-2135	124	45	of	of	ADP
eurjchem-2135	124	46	benzodiazepine	benzodiazepine	NOUN
eurjchem-2135	124	47	and	and	CCONJ
eurjchem-2135	124	48	its	its	PRON
eurjchem-2135	124	49	derivatives	derivative	NOUN
eurjchem-2135	124	50	.	.	PUNCT
eurjchem-2135	125	1	probability	probability	NOUN
eurjchem-2135	125	2	values	value	NOUN
eurjchem-2135	125	3	related	relate	VERB
eurjchem-2135	125	4	to	to	ADP
eurjchem-2135	125	5	each	each	PRON
eurjchem-2135	125	6	of	of	ADP
eurjchem-2135	125	7	the	the	DET
eurjchem-2135	125	8	parameters	parameter	NOUN
eurjchem-2135	125	9	are	be	AUX
eurjchem-2135	125	10	given	give	VERB
eurjchem-2135	125	11	in	in	ADP
eurjchem-2135	125	12	parentheses	parenthesis	NOUN
eurjchem-2135	125	13	*	*	PUNCT
eurjchem-2135	125	14	.	.	PUNCT
eurjchem-2135	126	1	parameters	parameter	NOUN
eurjchem-2135	126	2	alprazolam	alprazolam	PROPN
eurjchem-2135	126	3	bromazepam	bromazepam	PROPN
eurjchem-2135	126	4	diazepam	diazepam	NOUN
eurjchem-2135	126	5	flunitrazepam	flunitrazepam	PROPN
eurjchem-2135	126	6	lorazepam	lorazepam	PROPN
eurjchem-2135	126	7	blood	blood	NOUN
eurjchem-2135	126	8	brain	brain	NOUN
eurjchem-2135	126	9	barrier	barrier	NOUN
eurjchem-2135	126	10	+	+	CCONJ
eurjchem-2135	126	11	(	(	PUNCT
eurjchem-2135	126	12	0.98	0.98	NUM
eurjchem-2135	126	13	)	)	PUNCT
eurjchem-2135	126	14	+	+	CCONJ
eurjchem-2135	126	15	(	(	PUNCT
eurjchem-2135	126	16	0.98	0.98	NUM
eurjchem-2135	126	17	)	)	PUNCT
eurjchem-2135	126	18	+	+	CCONJ
eurjchem-2135	126	19	(	(	PUNCT
eurjchem-2135	126	20	0.99	0.99	NUM
eurjchem-2135	126	21	)	)	PUNCT
eurjchem-2135	127	1	+	+	CCONJ
eurjchem-2135	127	2	(	(	PUNCT
eurjchem-2135	127	3	0.97	0.97	NUM
eurjchem-2135	127	4	)	)	PUNCT
eurjchem-2135	128	1	+	+	CCONJ
eurjchem-2135	128	2	(	(	PUNCT
eurjchem-2135	128	3	0.96	0.96	NUM
eurjchem-2135	128	4	)	)	PUNCT
eurjchem-2135	128	5	human	human	ADJ
eurjchem-2135	128	6	intestinal	intestinal	ADJ
eurjchem-2135	128	7	absorption	absorption	NOUN
eurjchem-2135	128	8	+	+	CCONJ
eurjchem-2135	128	9	(	(	PUNCT
eurjchem-2135	128	10	1.00	1.00	NUM
eurjchem-2135	128	11	)	)	PUNCT
eurjchem-2135	128	12	+	+	CCONJ
eurjchem-2135	128	13	(	(	PUNCT
eurjchem-2135	128	14	0.99	0.99	NUM
eurjchem-2135	128	15	)	)	PUNCT
eurjchem-2135	129	1	+	+	CCONJ
eurjchem-2135	129	2	(	(	PUNCT
eurjchem-2135	129	3	0.99	0.99	NUM
eurjchem-2135	129	4	)	)	PUNCT
eurjchem-2135	130	1	+	+	CCONJ
eurjchem-2135	130	2	(	(	PUNCT
eurjchem-2135	130	3	1.00	1.00	NUM
eurjchem-2135	130	4	)	)	PUNCT
eurjchem-2135	130	5	+	+	CCONJ
eurjchem-2135	131	1	(	(	PUNCT
eurjchem-2135	131	2	0.98	0.98	NUM
eurjchem-2135	131	3	)	)	PUNCT
eurjchem-2135	131	4	p	p	NOUN
eurjchem-2135	131	5	-	-	PUNCT
eurjchem-2135	131	6	glycoprotein	glycoprotein	NOUN
eurjchem-2135	131	7	inhibitor	inhibitor	NOUN
eurjchem-2135	131	8	ni	ni	PROPN
eurjchem-2135	131	9	(	(	PUNCT
eurjchem-2135	131	10	0.73	0.73	NUM
eurjchem-2135	131	11	)	)	PUNCT
eurjchem-2135	131	12	ni	ni	PROPN
eurjchem-2135	131	13	(	(	PUNCT
eurjchem-2135	131	14	0.72	0.72	NUM
eurjchem-2135	131	15	)	)	PUNCT
eurjchem-2135	131	16	ni	ni	PROPN
eurjchem-2135	131	17	(	(	PUNCT
eurjchem-2135	131	18	0.84	0.84	NUM
eurjchem-2135	131	19	)	)	PUNCT
eurjchem-2135	131	20	ni	ni	PROPN
eurjchem-2135	131	21	(	(	PUNCT
eurjchem-2135	131	22	0.90	0.90	NUM
eurjchem-2135	131	23	)	)	PUNCT
eurjchem-2135	131	24	ni	ni	PROPN
eurjchem-2135	131	25	(	(	PUNCT
eurjchem-2135	131	26	0.91	0.91	NUM
eurjchem-2135	131	27	)	)	PUNCT
eurjchem-2135	131	28	human	human	ADJ
eurjchem-2135	131	29	ether	ether	NOUN
eurjchem-2135	131	30	-	-	PUNCT
eurjchem-2135	131	31	a	a	DET
eurjchem-2135	131	32	-	-	PUNCT
eurjchem-2135	131	33	go	go	NOUN
eurjchem-2135	131	34	-	-	PUNCT
eurjchem-2135	131	35	go	go	NOUN
eurjchem-2135	131	36	-	-	PUNCT
eurjchem-2135	131	37	related	relate	VERB
eurjchem-2135	131	38	gene	gene	NOUN
eurjchem-2135	131	39	inhibition	inhibition	NOUN
eurjchem-2135	131	40	ni	ni	PROPN
eurjchem-2135	131	41	(	(	PUNCT
eurjchem-2135	131	42	0.97	0.97	NUM
eurjchem-2135	131	43	)	)	PUNCT
eurjchem-2135	131	44	ni	ni	PROPN
eurjchem-2135	131	45	(	(	PUNCT
eurjchem-2135	131	46	0.99	0.99	NUM
eurjchem-2135	131	47	)	)	PUNCT
eurjchem-2135	131	48	ni	ni	PROPN
eurjchem-2135	131	49	(	(	PUNCT
eurjchem-2135	131	50	0.99	0.99	NUM
eurjchem-2135	131	51	)	)	PUNCT
eurjchem-2135	131	52	ni	ni	NOUN
eurjchem-2135	131	53	(	(	PUNCT
eurjchem-2135	131	54	0.98	0.98	NUM
eurjchem-2135	131	55	)	)	PUNCT
eurjchem-2135	131	56	ni	ni	PROPN
eurjchem-2135	131	57	(	(	PUNCT
eurjchem-2135	131	58	0.99	0.99	NUM
eurjchem-2135	131	59	)	)	PUNCT
eurjchem-2135	131	60	carcinogen	carcinogen	PROPN
eurjchem-2135	131	61	nc	nc	PROPN
eurjchem-2135	131	62	(	(	PUNCT
eurjchem-2135	131	63	0.6	0.6	NUM
eurjchem-2135	131	64	)	)	PUNCT
eurjchem-2135	131	65	nc	nc	PROPN
eurjchem-2135	131	66	(	(	PUNCT
eurjchem-2135	131	67	0.87	0.87	NUM
eurjchem-2135	131	68	)	)	PUNCT
eurjchem-2135	131	69	nc	nc	PROPN
eurjchem-2135	131	70	(	(	PUNCT
eurjchem-2135	131	71	0.83	0.83	NUM
eurjchem-2135	131	72	)	)	PUNCT
eurjchem-2135	131	73	nc	nc	PROPN
eurjchem-2135	131	74	(	(	PUNCT
eurjchem-2135	131	75	0.68	0.68	NUM
eurjchem-2135	131	76	)	)	PUNCT
eurjchem-2135	131	77	nc	nc	PROPN
eurjchem-2135	131	78	(	(	PUNCT
eurjchem-2135	131	79	0.77	0.77	NUM
eurjchem-2135	131	80	)	)	PUNCT
eurjchem-2135	131	81	acute	acute	ADJ
eurjchem-2135	131	82	oral	oral	ADJ
eurjchem-2135	131	83	toxicity	toxicity	NOUN
eurjchem-2135	131	84	iii	iii	PROPN
eurjchem-2135	131	85	iii	iii	PROPN
eurjchem-2135	131	86	ii	ii	PROPN
eurjchem-2135	131	87	ii	ii	PROPN
eurjchem-2135	131	88	iii	iii	PROPN
eurjchem-2135	131	89	rat	rat	NOUN
eurjchem-2135	131	90	acute	acute	NOUN
eurjchem-2135	131	91	toxicity	toxicity	NOUN
eurjchem-2135	131	92	,	,	PUNCT
eurjchem-2135	131	93	ld50	ld50	PROPN
eurjchem-2135	131	94	(	(	PUNCT
eurjchem-2135	131	95	mol	mol	PROPN
eurjchem-2135	131	96	/	/	SYM
eurjchem-2135	131	97	kg	kg	PROPN
eurjchem-2135	131	98	)	)	PUNCT
eurjchem-2135	131	99	2.37	2.37	NUM
eurjchem-2135	131	100	2.24	2.24	NUM
eurjchem-2135	131	101	2.59	2.59	NUM
eurjchem-2135	131	102	2.85	2.85	NUM
eurjchem-2135	131	103	1.82	1.82	NUM
eurjchem-2135	131	104	*	*	PUNCT
eurjchem-2135	131	105	ni	ni	NOUN
eurjchem-2135	131	106	:	:	PUNCT
eurjchem-2135	131	107	non	non	ADJ
eurjchem-2135	131	108	-	-	NOUN
eurjchem-2135	131	109	inhibitor	inhibitor	ADJ
eurjchem-2135	131	110	,	,	PUNCT
eurjchem-2135	131	111	nc	nc	PROPN
eurjchem-2135	131	112	:	:	PUNCT
eurjchem-2135	131	113	non	non	ADJ
eurjchem-2135	131	114	-	-	ADJ
eurjchem-2135	131	115	carcinogenic	carcinogenic	ADJ
eurjchem-2135	131	116	.	.	PUNCT
eurjchem-2135	132	1	alprazolam	alprazolam	PROPN
eurjchem-2135	132	2	bromazepam	bromazepam	PROPN
eurjchem-2135	132	3	diazepam	diazepam	NOUN
eurjchem-2135	132	4	flunitrazepam	flunitrazepam	PROPN
eurjchem-2135	132	5	lorazepam	lorazepam	PROPN
eurjchem-2135	132	6	figure	figure	NOUN
eurjchem-2135	132	7	7	7	NUM
eurjchem-2135	132	8	.	.	PUNCT
eurjchem-2135	133	1	hydrogen	hydrogen	NOUN
eurjchem-2135	133	2	bond	bond	NOUN
eurjchem-2135	133	3	surface	surface	NOUN
eurjchem-2135	133	4	of	of	ADP
eurjchem-2135	133	5	4cof	4cof	NUM
eurjchem-2135	133	6	with	with	ADP
eurjchem-2135	133	7	drugs	drug	NOUN
eurjchem-2135	133	8	.	.	PUNCT
eurjchem-2135	134	1	there	there	PRON
eurjchem-2135	134	2	is	be	VERB
eurjchem-2135	134	3	hydrogen	hydrogen	NOUN
eurjchem-2135	134	4	bond	bond	NOUN
eurjchem-2135	134	5	interaction	interaction	NOUN
eurjchem-2135	134	6	with	with	ADP
eurjchem-2135	134	7	tyr126	tyr126	NOUN
eurjchem-2135	134	8	and	and	CCONJ
eurjchem-2135	134	9	c	c	NOUN
eurjchem-2135	134	10	-	-	PUNCT
eurjchem-2135	134	11	h	h	NOUN
eurjchem-2135	134	12	interaction	interaction	NOUN
eurjchem-2135	134	13	with	with	ADP
eurjchem-2135	134	14	ser427	ser427	PROPN
eurjchem-2135	134	15	acid	acid	NOUN
eurjchem-2135	134	16	residue	residue	NOUN
eurjchem-2135	134	17	in	in	ADP
eurjchem-2135	134	18	lorazepam	lorazepam	NOUN
eurjchem-2135	134	19	.	.	PUNCT
eurjchem-2135	135	1	there	there	PRON
eurjchem-2135	135	2	are	be	VERB
eurjchem-2135	135	3	lower	low	ADJ
eurjchem-2135	135	4	hydrogen	hydrogen	NOUN
eurjchem-2135	135	5	bond	bond	NOUN
eurjchem-2135	135	6	distances	distance	NOUN
eurjchem-2135	135	7	with	with	ADP
eurjchem-2135	135	8	gln65	gln65	NOUN
eurjchem-2135	135	9	and	and	CCONJ
eurjchem-2135	135	10	thr96	thr96	PROPN
eurjchem-2135	135	11	and	and	CCONJ
eurjchem-2135	135	12	the	the	DET
eurjchem-2135	135	13	c	c	NOUN
eurjchem-2135	135	14	-	-	PUNCT
eurjchem-2135	135	15	h	h	NOUN
eurjchem-2135	135	16	bond	bond	NOUN
eurjchem-2135	135	17	interaction	interaction	NOUN
eurjchem-2135	135	18	with	with	ADP
eurjchem-2135	135	19	thr96	thr96	NOUN
eurjchem-2135	135	20	in	in	ADP
eurjchem-2135	135	21	bromazepam	bromazepam	NOUN
eurjchem-2135	135	22	.	.	PUNCT
eurjchem-2135	136	1	decreased	decrease	VERB
eurjchem-2135	136	2	binding	bind	VERB
eurjchem-2135	136	3	affinity	affinity	NOUN
eurjchem-2135	136	4	of	of	ADP
eurjchem-2135	136	5	both	both	DET
eurjchem-2135	136	6	bromazepam	bromazepam	NOUN
eurjchem-2135	136	7	and	and	CCONJ
eurjchem-2135	136	8	lorazepam	lorazepam	PROPN
eurjchem-2135	136	9	also	also	ADV
eurjchem-2135	136	10	complies	comply	VERB
eurjchem-2135	136	11	with	with	ADP
eurjchem-2135	136	12	their	their	PRON
eurjchem-2135	136	13	dipole	dipole	NOUN
eurjchem-2135	136	14	moment	moment	NOUN
eurjchem-2135	136	15	and	and	CCONJ
eurjchem-2135	136	16	softness	softness	NOUN
eurjchem-2135	136	17	.	.	PUNCT
eurjchem-2135	137	1	there	there	PRON
eurjchem-2135	137	2	are	be	VERB
eurjchem-2135	137	3	several	several	ADJ
eurjchem-2135	137	4	pi	pi	NOUN
eurjchem-2135	137	5	-	-	PUNCT
eurjchem-2135	137	6	alkyl	alkyl	ADJ
eurjchem-2135	137	7	interactions	interaction	NOUN
eurjchem-2135	137	8	observed	observe	VERB
eurjchem-2135	137	9	in	in	ADP
eurjchem-2135	137	10	all	all	DET
eurjchem-2135	137	11	drugs	drug	NOUN
eurjchem-2135	137	12	.	.	PUNCT
eurjchem-2135	138	1	3.5	3.5	NUM
eurjchem-2135	138	2	.	.	PUNCT
eurjchem-2135	138	3	structural	structural	ADJ
eurjchem-2135	138	4	activity	activity	NOUN
eurjchem-2135	138	5	relationship	relationship	NOUN
eurjchem-2135	138	6	on	on	ADP
eurjchem-2135	138	7	binding	bind	VERB
eurjchem-2135	138	8	affinity	affinity	NOUN
eurjchem-2135	138	9	binding	bind	VERB
eurjchem-2135	138	10	affinity	affinity	NOUN
eurjchem-2135	138	11	with	with	ADP
eurjchem-2135	138	12	receptor	receptor	NOUN
eurjchem-2135	138	13	protein	protein	NOUN
eurjchem-2135	138	14	decreases	decrease	VERB
eurjchem-2135	138	15	by	by	ADP
eurjchem-2135	138	16	the	the	DET
eurjchem-2135	138	17	order	order	NOUN
eurjchem-2135	138	18	:	:	PUNCT
eurjchem-2135	138	19	alprazolam	alprazolam	PROPN
eurjchem-2135	138	20	(	(	PUNCT
eurjchem-2135	138	21	-7.4	-7.4	PROPN
eurjchem-2135	138	22	kcal	kcal	PROPN
eurjchem-2135	138	23	/	/	SYM
eurjchem-2135	138	24	mol	mol	PROPN
eurjchem-2135	138	25	)	)	PUNCT
eurjchem-2135	138	26	>	>	X
eurjchem-2135	138	27	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	138	28	(	(	PUNCT
eurjchem-2135	138	29	-7.2	-7.2	PROPN
eurjchem-2135	138	30	kcal	kcal	PROPN
eurjchem-2135	138	31	/	/	SYM
eurjchem-2135	138	32	mol	mol	PROPN
eurjchem-2135	138	33	)	)	PUNCT
eurjchem-2135	138	34	>	>	X
eurjchem-2135	139	1	diazepam	diazepam	NOUN
eurjchem-2135	139	2	(	(	PUNCT
eurjchem-2135	139	3	-6.9	-6.9	PROPN
eurjchem-2135	139	4	kcal	kcal	PROPN
eurjchem-2135	139	5	/	/	SYM
eurjchem-2135	139	6	mol	mol	PROPN
eurjchem-2135	139	7	)	)	PUNCT
eurjchem-2135	139	8	>	>	X
eurjchem-2135	139	9	lorazepam	lorazepam	PROPN
eurjchem-2135	139	10	(	(	PUNCT
eurjchem-2135	139	11	-6.5	-6.5	X
eurjchem-2135	139	12	kcal	kcal	PROPN
eurjchem-2135	139	13	/	/	SYM
eurjchem-2135	139	14	mol	mol	PROPN
eurjchem-2135	139	15	)	)	PUNCT
eurjchem-2135	139	16	>	>	X
eurjchem-2135	140	1	bromazepam	bromazepam	NOUN
eurjchem-2135	140	2	(	(	PUNCT
eurjchem-2135	140	3	-6.4	-6.4	PROPN
eurjchem-2135	140	4	kcal	kcal	PROPN
eurjchem-2135	140	5	/	/	SYM
eurjchem-2135	140	6	mol	mol	NOUN
eurjchem-2135	140	7	)	)	PUNCT
eurjchem-2135	140	8	.	.	PUNCT
eurjchem-2135	141	1	it	it	PRON
eurjchem-2135	141	2	is	be	AUX
eurjchem-2135	141	3	revealed	reveal	VERB
eurjchem-2135	141	4	that	that	SCONJ
eurjchem-2135	141	5	substituents	substituent	NOUN
eurjchem-2135	141	6	at	at	ADP
eurjchem-2135	141	7	n1	n1	NOUN
eurjchem-2135	141	8	,	,	PUNCT
eurjchem-2135	141	9	c5	c5	PROPN
eurjchem-2135	141	10	and	and	CCONJ
eurjchem-2135	141	11	c7	c7	PROPN
eurjchem-2135	141	12	(	(	PUNCT
eurjchem-2135	141	13	figure	figure	NOUN
eurjchem-2135	141	14	1	1	NUM
eurjchem-2135	141	15	)	)	PUNCT
eurjchem-2135	141	16	have	have	VERB
eurjchem-2135	141	17	a	a	DET
eurjchem-2135	141	18	remarkable	remarkable	ADJ
eurjchem-2135	141	19	influence	influence	NOUN
eurjchem-2135	141	20	on	on	ADP
eurjchem-2135	141	21	binding	bind	VERB
eurjchem-2135	141	22	affinity	affinity	NOUN
eurjchem-2135	141	23	with	with	ADP
eurjchem-2135	141	24	receptor	receptor	NOUN
eurjchem-2135	141	25	protein	protein	NOUN
eurjchem-2135	141	26	.	.	PUNCT
eurjchem-2135	142	1	exceptionally	exceptionally	ADV
eurjchem-2135	142	2	,	,	PUNCT
eurjchem-2135	142	3	alprazolam	alprazolam	PROPN
eurjchem-2135	142	4	contains	contain	VERB
eurjchem-2135	142	5	a	a	DET
eurjchem-2135	142	6	fused	fuse	VERB
eurjchem-2135	142	7	triazole	triazole	NOUN
eurjchem-2135	142	8	ring	ring	NOUN
eurjchem-2135	142	9	and	and	CCONJ
eurjchem-2135	142	10	a	a	DET
eurjchem-2135	142	11	methyl	methyl	NOUN
eurjchem-2135	142	12	group	group	NOUN
eurjchem-2135	142	13	at	at	ADP
eurjchem-2135	142	14	n1	n1	PROPN
eurjchem-2135	142	15	which	which	PRON
eurjchem-2135	142	16	are	be	AUX
eurjchem-2135	142	17	responsible	responsible	ADJ
eurjchem-2135	142	18	for	for	ADP
eurjchem-2135	142	19	its	its	PRON
eurjchem-2135	142	20	higher	high	ADJ
eurjchem-2135	142	21	binding	binding	ADJ
eurjchem-2135	142	22	affinity	affinity	NOUN
eurjchem-2135	142	23	.	.	PUNCT
eurjchem-2135	143	1	in	in	ADP
eurjchem-2135	143	2	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	143	3	there	there	PRON
eurjchem-2135	143	4	are	be	VERB
eurjchem-2135	143	5	n1	n1	NOUN
eurjchem-2135	143	6	-	-	PUNCT
eurjchem-2135	143	7	methyl	methyl	NOUN
eurjchem-2135	143	8	,	,	PUNCT
eurjchem-2135	143	9	c5	c5	PROPN
eurjchem-2135	143	10	-	-	PUNCT
eurjchem-2135	143	11	f	f	PROPN
eurjchem-2135	143	12	-	-	PUNCT
eurjchem-2135	143	13	ph	ph	ADJ
eurjchem-2135	143	14	and	and	CCONJ
eurjchem-2135	143	15	c7	c7	PROPN
eurjchem-2135	143	16	-	-	PUNCT
eurjchem-2135	143	17	no2	no2	NOUN
eurjchem-2135	143	18	groups	group	NOUN
eurjchem-2135	143	19	that	that	PRON
eurjchem-2135	143	20	create	create	VERB
eurjchem-2135	143	21	its	its	PRON
eurjchem-2135	143	22	binding	bind	VERB
eurjchem-2135	143	23	affinity	affinity	NOUN
eurjchem-2135	143	24	high	high	ADJ
eurjchem-2135	143	25	.	.	PUNCT
eurjchem-2135	144	1	n1	n1	NOUN
eurjchem-2135	144	2	-	-	PUNCT
eurjchem-2135	144	3	methyl	methyl	NOUN
eurjchem-2135	144	4	has	have	VERB
eurjchem-2135	144	5	a	a	DET
eurjchem-2135	144	6	dominant	dominant	ADJ
eurjchem-2135	144	7	effect	effect	NOUN
eurjchem-2135	144	8	than	than	ADP
eurjchem-2135	144	9	c5	c5	PROPN
eurjchem-2135	144	10	-	-	PUNCT
eurjchem-2135	144	11	cl	cl	NOUN
eurjchem-2135	144	12	-	-	PUNCT
eurjchem-2135	144	13	ph	ph	ADJ
eurjchem-2135	144	14	and	and	CCONJ
eurjchem-2135	144	15	c7	c7	PROPN
eurjchem-2135	144	16	-	-	PUNCT
eurjchem-2135	144	17	cl	cl	PROPN
eurjchem-2135	144	18	and	and	CCONJ
eurjchem-2135	144	19	hence	hence	ADV
eurjchem-2135	144	20	diazepam	diazepam	VERB
eurjchem-2135	144	21	has	have	VERB
eurjchem-2135	144	22	higher	high	ADJ
eurjchem-2135	144	23	affinity	affinity	NOUN
eurjchem-2135	144	24	than	than	ADP
eurjchem-2135	144	25	lorazepam	lorazepam	NOUN
eurjchem-2135	144	26	and	and	CCONJ
eurjchem-2135	144	27	bromazepam	bromazepam	NOUN
eurjchem-2135	144	28	.	.	PUNCT
eurjchem-2135	145	1	lorazepam	lorazepam	PROPN
eurjchem-2135	146	1	having	have	VERB
eurjchem-2135	146	2	c5	c5	PROPN
eurjchem-2135	146	3	-	-	PUNCT
eurjchem-2135	146	4	cl	cl	NOUN
eurjchem-2135	146	5	-	-	PUNCT
eurjchem-2135	146	6	ph	ph	ADJ
eurjchem-2135	146	7	and	and	CCONJ
eurjchem-2135	146	8	c7	c7	PROPN
eurjchem-2135	146	9	-	-	PUNCT
eurjchem-2135	146	10	cl	cl	NOUN
eurjchem-2135	146	11	shows	show	VERB
eurjchem-2135	146	12	higher	high	ADJ
eurjchem-2135	146	13	affinity	affinity	NOUN
eurjchem-2135	146	14	than	than	ADP
eurjchem-2135	146	15	bromazepam	bromazepam	NOUN
eurjchem-2135	146	16	.	.	PUNCT
eurjchem-2135	147	1	3.6	3.6	NUM
eurjchem-2135	147	2	.	.	PUNCT
eurjchem-2135	148	1	admet	admet	PROPN
eurjchem-2135	148	2	analysis	analysis	NOUN
eurjchem-2135	148	3	from	from	ADP
eurjchem-2135	148	4	admetsar	admetsar	ADJ
eurjchem-2135	148	5	data	datum	NOUN
eurjchem-2135	148	6	(	(	PUNCT
eurjchem-2135	148	7	table	table	NOUN
eurjchem-2135	148	8	4	4	NUM
eurjchem-2135	148	9	)	)	PUNCT
eurjchem-2135	148	10	,	,	PUNCT
eurjchem-2135	148	11	it	it	PRON
eurjchem-2135	148	12	is	be	AUX
eurjchem-2135	148	13	shown	show	VERB
eurjchem-2135	148	14	that	that	SCONJ
eurjchem-2135	148	15	all	all	DET
eurjchem-2135	148	16	drugs	drug	NOUN
eurjchem-2135	148	17	exhibit	exhibit	VERB
eurjchem-2135	148	18	a	a	DET
eurjchem-2135	148	19	positive	positive	ADJ
eurjchem-2135	148	20	response	response	NOUN
eurjchem-2135	148	21	to	to	ADP
eurjchem-2135	148	22	the	the	DET
eurjchem-2135	148	23	blood	blood	NOUN
eurjchem-2135	148	24	brain	brain	NOUN
eurjchem-2135	148	25	barrier	barrier	NOUN
eurjchem-2135	148	26	,	,	PUNCT
eurjchem-2135	148	27	and	and	CCONJ
eurjchem-2135	148	28	human	human	ADJ
eurjchem-2135	148	29	intestinal	intestinal	ADJ
eurjchem-2135	148	30	absorption	absorption	NOUN
eurjchem-2135	148	31	.	.	PUNCT
eurjchem-2135	149	1	all	all	DET
eurjchem-2135	149	2	drugs	drug	NOUN
eurjchem-2135	149	3	are	be	AUX
eurjchem-2135	149	4	non	non	ADJ
eurjchem-2135	149	5	-	-	ADJ
eurjchem-2135	149	6	carcinogenic	carcinogenic	ADJ
eurjchem-2135	149	7	,	,	PUNCT
eurjchem-2135	149	8	and	and	CCONJ
eurjchem-2135	149	9	alprazolam	alprazolam	PROPN
eurjchem-2135	149	10	,	,	PUNCT
eurjchem-2135	149	11	bromazepam	bromazepam	NOUN
eurjchem-2135	149	12	,	,	PUNCT
eurjchem-2135	149	13	and	and	CCONJ
eurjchem-2135	149	14	lorazepam	lorazepam	PROPN
eurjchem-2135	149	15	show	show	VERB
eurjchem-2135	149	16	iii	iii	NUM
eurjchem-2135	149	17	category	category	NOUN
eurjchem-2135	149	18	acute	acute	NOUN
eurjchem-2135	149	19	oral	oral	ADJ
eurjchem-2135	149	20	toxicity	toxicity	NOUN
eurjchem-2135	149	21	.	.	PUNCT
eurjchem-2135	150	1	they	they	PRON
eurjchem-2135	150	2	are	be	AUX
eurjchem-2135	150	3	p	p	ADJ
eurjchem-2135	150	4	-	-	PUNCT
eurjchem-2135	150	5	glycoprotein	glycoprotein	ADJ
eurjchem-2135	150	6	non	non	ADJ
eurjchem-2135	150	7	-	-	NOUN
eurjchem-2135	150	8	inhibitor	inhibitor	NOUN
eurjchem-2135	150	9	where	where	SCONJ
eurjchem-2135	150	10	,	,	PUNCT
eurjchem-2135	150	11	inhibition	inhibition	NOUN
eurjchem-2135	150	12	can	can	AUX
eurjchem-2135	150	13	interrupt	interrupt	VERB
eurjchem-2135	150	14	the	the	DET
eurjchem-2135	150	15	absorption	absorption	NOUN
eurjchem-2135	150	16	,	,	PUNCT
eurjchem-2135	150	17	permeability	permeability	NOUN
eurjchem-2135	150	18	and	and	CCONJ
eurjchem-2135	150	19	retention	retention	NOUN
eurjchem-2135	150	20	of	of	ADP
eurjchem-2135	150	21	drug	drug	NOUN
eurjchem-2135	150	22	[	[	X
eurjchem-2135	150	23	31	31	NUM
eurjchem-2135	150	24	]	]	PUNCT
eurjchem-2135	150	25	.	.	PUNCT
eurjchem-2135	151	1	lorazepam	lorazepam	PROPN
eurjchem-2135	151	2	shows	show	VERB
eurjchem-2135	151	3	highest	high	ADJ
eurjchem-2135	151	4	rat	rat	NOUN
eurjchem-2135	151	5	acute	acute	NOUN
eurjchem-2135	151	6	418	418	NUM
eurjchem-2135	151	7	uzzaman	uzzaman	NOUN
eurjchem-2135	151	8	et	et	PROPN
eurjchem-2135	151	9	al	al	PROPN
eurjchem-2135	151	10	.	.	PUNCT
eurjchem-2135	151	11	/	/	SYM
eurjchem-2135	151	12	european	european	PROPN
eurjchem-2135	151	13	journal	journal	PROPN
eurjchem-2135	151	14	of	of	ADP
eurjchem-2135	151	15	chemistry	chemistry	NOUN
eurjchem-2135	151	16	12	12	NUM
eurjchem-2135	151	17	(	(	PUNCT
eurjchem-2135	151	18	4	4	NUM
eurjchem-2135	151	19	)	)	PUNCT
eurjchem-2135	151	20	(	(	PUNCT
eurjchem-2135	151	21	2021	2021	NUM
eurjchem-2135	151	22	)	)	PUNCT
eurjchem-2135	151	23	412	412	NUM
eurjchem-2135	151	24	-	-	SYM
eurjchem-2135	151	25	418	418	NUM
eurjchem-2135	151	26	2021	2021	NUM
eurjchem-2135	151	27	–	–	PUNCT
eurjchem-2135	151	28	european	european	ADJ
eurjchem-2135	151	29	journal	journal	NOUN
eurjchem-2135	151	30	of	of	ADP
eurjchem-2135	151	31	chemistry	chemistry	NOUN
eurjchem-2135	151	32	–	–	PUNCT
eurjchem-2135	151	33	cc	cc	NOUN
eurjchem-2135	151	34	by	by	ADP
eurjchem-2135	151	35	nc	nc	PROPN
eurjchem-2135	151	36	–	–	PUNCT
eurjchem-2135	151	37	doi	doi	PROPN
eurjchem-2135	151	38	:	:	PUNCT
eurjchem-2135	151	39	10.5155	10.5155	NUM
eurjchem-2135	151	40	/	/	SYM
eurjchem-2135	151	41	eurjchem.12.4.412	eurjchem.12.4.412	NOUN
eurjchem-2135	151	42	-	-	PUNCT
eurjchem-2135	151	43	418.2135	418.2135	NUM
eurjchem-2135	151	44	toxicity	toxicity	NOUN
eurjchem-2135	151	45	(	(	PUNCT
eurjchem-2135	152	1	ld50	ld50	PROPN
eurjchem-2135	152	2	=	=	PUNCT
eurjchem-2135	152	3	1.822	1.822	NUM
eurjchem-2135	152	4	)	)	PUNCT
eurjchem-2135	152	5	when	when	SCONJ
eurjchem-2135	152	6	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	152	7	shows	show	VERB
eurjchem-2135	152	8	lowest	low	ADJ
eurjchem-2135	152	9	rat	rat	NOUN
eurjchem-2135	152	10	acute	acute	NOUN
eurjchem-2135	152	11	toxicity	toxicity	NOUN
eurjchem-2135	152	12	(	(	PUNCT
eurjchem-2135	152	13	ld50	ld50	PROPN
eurjchem-2135	152	14	=	=	PROPN
eurjchem-2135	152	15	2.846	2.846	NUM
eurjchem-2135	152	16	)	)	PUNCT
eurjchem-2135	152	17	.	.	PUNCT
eurjchem-2135	153	1	improved	improve	VERB
eurjchem-2135	153	2	rat	rat	NOUN
eurjchem-2135	153	3	acute	acute	NOUN
eurjchem-2135	153	4	toxicity	toxicity	NOUN
eurjchem-2135	153	5	is	be	AUX
eurjchem-2135	153	6	found	find	VERB
eurjchem-2135	153	7	for	for	ADP
eurjchem-2135	153	8	fluorinated	fluorinate	VERB
eurjchem-2135	153	9	drug	drug	NOUN
eurjchem-2135	153	10	.	.	PUNCT
eurjchem-2135	154	1	so	so	ADV
eurjchem-2135	154	2	,	,	PUNCT
eurjchem-2135	154	3	all	all	DET
eurjchem-2135	154	4	the	the	DET
eurjchem-2135	154	5	drugs	drug	NOUN
eurjchem-2135	154	6	show	show	VERB
eurjchem-2135	154	7	higher	high	ADJ
eurjchem-2135	154	8	to	to	ADP
eurjchem-2135	154	9	median	median	ADJ
eurjchem-2135	154	10	lethal	lethal	ADJ
eurjchem-2135	154	11	dose	dose	NOUN
eurjchem-2135	154	12	(	(	PUNCT
eurjchem-2135	154	13	ld50	ld50	PROPN
eurjchem-2135	154	14	)	)	PUNCT
eurjchem-2135	154	15	values	value	NOUN
eurjchem-2135	154	16	compared	compare	VERB
eurjchem-2135	154	17	to	to	ADP
eurjchem-2135	154	18	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	154	19	.	.	PUNCT
eurjchem-2135	155	1	sequence	sequence	NOUN
eurjchem-2135	155	2	of	of	ADP
eurjchem-2135	155	3	their	their	PRON
eurjchem-2135	155	4	toxicity	toxicity	NOUN
eurjchem-2135	155	5	is	be	AUX
eurjchem-2135	155	6	as	as	ADP
eurjchem-2135	155	7	decreasing	decrease	VERB
eurjchem-2135	155	8	order	order	NOUN
eurjchem-2135	155	9	:	:	PUNCT
eurjchem-2135	156	1	lorazepam	lorazepam	NOUN
eurjchem-2135	156	2	>	>	X
eurjchem-2135	156	3	bromazepam	bromazepam	PROPN
eurjchem-2135	156	4	>	>	X
eurjchem-2135	156	5	alprazolam	alprazolam	PROPN
eurjchem-2135	156	6	>	>	X
eurjchem-2135	156	7	diazepam	diazepam	VERB
eurjchem-2135	156	8	>	>	X
eurjchem-2135	156	9	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	156	10	.	.	PUNCT
eurjchem-2135	157	1	however	however	ADV
eurjchem-2135	157	2	,	,	PUNCT
eurjchem-2135	157	3	all	all	DET
eurjchem-2135	157	4	the	the	DET
eurjchem-2135	157	5	drugs	drug	NOUN
eurjchem-2135	157	6	show	show	VERB
eurjchem-2135	157	7	weak	weak	ADJ
eurjchem-2135	157	8	inhibitory	inhibitory	ADJ
eurjchem-2135	157	9	feature	feature	NOUN
eurjchem-2135	157	10	for	for	ADP
eurjchem-2135	157	11	human	human	ADJ
eurjchem-2135	157	12	ether	ether	NOUN
eurjchem-2135	157	13	-	-	PUNCT
eurjchem-2135	157	14	a	a	DET
eurjchem-2135	157	15	-	-	PUNCT
eurjchem-2135	157	16	go	go	NOUN
eurjchem-2135	157	17	-	-	PUNCT
eurjchem-2135	157	18	go	go	NOUN
eurjchem-2135	157	19	-	-	PUNCT
eurjchem-2135	157	20	related	relate	VERB
eurjchem-2135	157	21	gene	gene	NOUN
eurjchem-2135	157	22	(	(	PUNCT
eurjchem-2135	157	23	herg	herg	PROPN
eurjchem-2135	157	24	)	)	PUNCT
eurjchem-2135	157	25	which	which	PRON
eurjchem-2135	157	26	can	can	AUX
eurjchem-2135	157	27	lead	lead	VERB
eurjchem-2135	157	28	to	to	ADP
eurjchem-2135	157	29	long	long	ADJ
eurjchem-2135	157	30	qt	qt	NOUN
eurjchem-2135	157	31	syndrome	syndrome	NOUN
eurjchem-2135	157	32	[	[	X
eurjchem-2135	157	33	32,33	32,33	NUM
eurjchem-2135	157	34	]	]	PUNCT
eurjchem-2135	157	35	.	.	PUNCT
eurjchem-2135	158	1	therefore	therefore	ADV
eurjchem-2135	158	2	,	,	PUNCT
eurjchem-2135	158	3	further	further	ADJ
eurjchem-2135	158	4	study	study	NOUN
eurjchem-2135	158	5	of	of	ADP
eurjchem-2135	158	6	this	this	DET
eurjchem-2135	158	7	aspect	aspect	NOUN
eurjchem-2135	158	8	is	be	AUX
eurjchem-2135	158	9	necessary	necessary	ADJ
eurjchem-2135	158	10	.	.	PUNCT
eurjchem-2135	159	1	4	4	X
eurjchem-2135	159	2	.	.	X
eurjchem-2135	159	3	conclusion	conclusion	NOUN
eurjchem-2135	159	4	in	in	ADP
eurjchem-2135	159	5	this	this	DET
eurjchem-2135	159	6	investigation	investigation	NOUN
eurjchem-2135	159	7	,	,	PUNCT
eurjchem-2135	159	8	five	five	NUM
eurjchem-2135	159	9	selected	select	VERB
eurjchem-2135	159	10	benzodiazepines	benzodiazepine	NOUN
eurjchem-2135	159	11	have	have	AUX
eurjchem-2135	159	12	been	be	AUX
eurjchem-2135	159	13	studied	study	VERB
eurjchem-2135	159	14	to	to	PART
eurjchem-2135	159	15	explore	explore	VERB
eurjchem-2135	159	16	their	their	PRON
eurjchem-2135	159	17	thermal	thermal	ADJ
eurjchem-2135	159	18	properties	property	NOUN
eurjchem-2135	159	19	,	,	PUNCT
eurjchem-2135	159	20	molecular	molecular	ADJ
eurjchem-2135	159	21	orbital	orbital	ADJ
eurjchem-2135	159	22	characteristics	characteristic	NOUN
eurjchem-2135	159	23	,	,	PUNCT
eurjchem-2135	159	24	binding	bind	VERB
eurjchem-2135	159	25	affinity	affinity	NOUN
eurjchem-2135	159	26	,	,	PUNCT
eurjchem-2135	159	27	molecular	molecular	ADJ
eurjchem-2135	159	28	interactions	interaction	NOUN
eurjchem-2135	159	29	,	,	PUNCT
eurjchem-2135	159	30	and	and	CCONJ
eurjchem-2135	159	31	admet	admet	PROPN
eurjchem-2135	159	32	properties	property	NOUN
eurjchem-2135	159	33	.	.	PUNCT
eurjchem-2135	160	1	among	among	ADP
eurjchem-2135	160	2	them	they	PRON
eurjchem-2135	160	3	alprazolam	alprazolam	PROPN
eurjchem-2135	160	4	shows	show	VERB
eurjchem-2135	160	5	the	the	DET
eurjchem-2135	160	6	lowest	low	ADJ
eurjchem-2135	160	7	homo	homo	ADJ
eurjchem-2135	160	8	-	-	PUNCT
eurjchem-2135	160	9	lumo	lumo	NOUN
eurjchem-2135	160	10	energy	energy	NOUN
eurjchem-2135	160	11	gap	gap	NOUN
eurjchem-2135	160	12	with	with	ADP
eurjchem-2135	160	13	the	the	DET
eurjchem-2135	160	14	largest	large	ADJ
eurjchem-2135	160	15	softness	softness	NOUN
eurjchem-2135	160	16	and	and	CCONJ
eurjchem-2135	160	17	the	the	DET
eurjchem-2135	160	18	highest	high	ADJ
eurjchem-2135	160	19	binding	bind	VERB
eurjchem-2135	160	20	affinity	affinity	NOUN
eurjchem-2135	160	21	(	(	PUNCT
eurjchem-2135	160	22	-7.4	-7.4	PROPN
eurjchem-2135	160	23	kcal	kcal	PROPN
eurjchem-2135	160	24	/	/	SYM
eurjchem-2135	160	25	mol	mol	NOUN
eurjchem-2135	160	26	)	)	PUNCT
eurjchem-2135	160	27	with	with	ADP
eurjchem-2135	160	28	protein	protein	NOUN
eurjchem-2135	160	29	chains	chain	NOUN
eurjchem-2135	160	30	(	(	PUNCT
eurjchem-2135	160	31	4cof	4cof	NUM
eurjchem-2135	160	32	/	/	SYM
eurjchem-2135	160	33	a	a	NOUN
eurjchem-2135	160	34	)	)	PUNCT
eurjchem-2135	160	35	as	as	SCONJ
eurjchem-2135	160	36	compare	compare	VERB
eurjchem-2135	160	37	to	to	ADP
eurjchem-2135	160	38	other	other	ADJ
eurjchem-2135	160	39	examined	examine	VERB
eurjchem-2135	160	40	drugs	drug	NOUN
eurjchem-2135	160	41	.	.	PUNCT
eurjchem-2135	161	1	the	the	DET
eurjchem-2135	161	2	maximum	maximum	ADJ
eurjchem-2135	161	3	energy	energy	NOUN
eurjchem-2135	161	4	gap	gap	NOUN
eurjchem-2135	161	5	is	be	AUX
eurjchem-2135	161	6	found	find	VERB
eurjchem-2135	161	7	for	for	ADP
eurjchem-2135	161	8	flunitrazepam	flunitrazepam	NOUN
eurjchem-2135	161	9	with	with	ADP
eurjchem-2135	161	10	the	the	DET
eurjchem-2135	161	11	smallest	small	ADJ
eurjchem-2135	161	12	rat	rat	NOUN
eurjchem-2135	161	13	acute	acute	NOUN
eurjchem-2135	161	14	toxicity	toxicity	NOUN
eurjchem-2135	161	15	,	,	PUNCT
eurjchem-2135	161	16	(	(	PUNCT
eurjchem-2135	161	17	ld50	ld50	PROPN
eurjchem-2135	161	18	)	)	PUNCT
eurjchem-2135	161	19	.	.	PUNCT
eurjchem-2135	162	1	enhanced	enhance	VERB
eurjchem-2135	162	2	free	free	ADJ
eurjchem-2135	162	3	energy	energy	NOUN
eurjchem-2135	162	4	is	be	AUX
eurjchem-2135	162	5	observed	observe	VERB
eurjchem-2135	162	6	in	in	ADP
eurjchem-2135	162	7	bromazepam	bromazepam	NOUN
eurjchem-2135	162	8	with	with	ADP
eurjchem-2135	162	9	the	the	DET
eurjchem-2135	162	10	dipole	dipole	NOUN
eurjchem-2135	162	11	moment	moment	NOUN
eurjchem-2135	162	12	4.71	4.71	NUM
eurjchem-2135	162	13	debye	debye	NOUN
eurjchem-2135	162	14	,	,	PUNCT
eurjchem-2135	162	15	which	which	PRON
eurjchem-2135	162	16	makes	make	VERB
eurjchem-2135	162	17	it	it	PRON
eurjchem-2135	162	18	thermodynamically	thermodynamically	ADV
eurjchem-2135	162	19	more	more	ADV
eurjchem-2135	162	20	stable	stable	ADJ
eurjchem-2135	162	21	.	.	PUNCT
eurjchem-2135	163	1	the	the	DET
eurjchem-2135	163	2	prediction	prediction	NOUN
eurjchem-2135	163	3	of	of	ADP
eurjchem-2135	163	4	admet	admet	PROPN
eurjchem-2135	163	5	prediction	prediction	NOUN
eurjchem-2135	163	6	suggests	suggest	VERB
eurjchem-2135	163	7	that	that	SCONJ
eurjchem-2135	163	8	all	all	DET
eurjchem-2135	163	9	drugs	drug	NOUN
eurjchem-2135	163	10	are	be	AUX
eurjchem-2135	163	11	non	non	ADJ
eurjchem-2135	163	12	-	-	ADJ
eurjchem-2135	163	13	carcinogenic	carcinogenic	ADJ
eurjchem-2135	163	14	and	and	CCONJ
eurjchem-2135	163	15	safe	safe	ADJ
eurjchem-2135	163	16	for	for	ADP
eurjchem-2135	163	17	oral	oral	ADJ
eurjchem-2135	163	18	administration	administration	NOUN
eurjchem-2135	163	19	.	.	PUNCT
eurjchem-2135	164	1	disclosure	disclosure	NOUN
eurjchem-2135	164	2	statement	statement	NOUN
eurjchem-2135	164	3	conflict	conflict	NOUN
eurjchem-2135	164	4	of	of	ADP
eurjchem-2135	164	5	interests	interest	NOUN
eurjchem-2135	164	6	:	:	PUNCT
eurjchem-2135	164	7	the	the	DET
eurjchem-2135	164	8	authors	author	NOUN
eurjchem-2135	164	9	declare	declare	VERB
eurjchem-2135	164	10	that	that	SCONJ
eurjchem-2135	164	11	they	they	PRON
eurjchem-2135	164	12	have	have	VERB
eurjchem-2135	164	13	no	no	DET
eurjchem-2135	164	14	conflict	conflict	NOUN
eurjchem-2135	164	15	of	of	ADP
eurjchem-2135	164	16	interest	interest	NOUN
eurjchem-2135	164	17	.	.	PUNCT
eurjchem-2135	165	1	ethical	ethical	ADJ
eurjchem-2135	165	2	approval	approval	NOUN
eurjchem-2135	165	3	:	:	PUNCT
eurjchem-2135	166	1	all	all	DET
eurjchem-2135	166	2	ethical	ethical	ADJ
eurjchem-2135	166	3	guidelines	guideline	NOUN
eurjchem-2135	166	4	have	have	AUX
eurjchem-2135	166	5	been	be	AUX
eurjchem-2135	166	6	adhered	adhere	VERB
eurjchem-2135	166	7	.	.	PUNCT
eurjchem-2135	167	1	sample	sample	NOUN
eurjchem-2135	167	2	availability	availability	NOUN
eurjchem-2135	167	3	:	:	PUNCT
eurjchem-2135	167	4	not	not	PART
eurjchem-2135	167	5	applicable	applicable	ADJ
eurjchem-2135	167	6	credit	credit	NOUN
eurjchem-2135	167	7	authorship	authorship	NOUN
eurjchem-2135	167	8	contribution	contribution	NOUN
eurjchem-2135	167	9	statement	statement	NOUN
eurjchem-2135	167	10	conceptualization	conceptualization	NOUN
eurjchem-2135	167	11	:	:	PUNCT
eurjchem-2135	167	12	mohammad	mohammad	PROPN
eurjchem-2135	167	13	nasir	nasir	PROPN
eurjchem-2135	167	14	uddin	uddin	PROPN
eurjchem-2135	167	15	;	;	PUNCT
eurjchem-2135	167	16	methodology	methodology	NOUN
eurjchem-2135	167	17	:	:	PUNCT
eurjchem-2135	167	18	monir	monir	PROPN
eurjchem-2135	167	19	uzzaman	uzzaman	NOUN
eurjchem-2135	167	20	;	;	PUNCT
eurjchem-2135	167	21	software	software	NOUN
eurjchem-2135	167	22	:	:	PUNCT
eurjchem-2135	167	23	monir	monir	PROPN
eurjchem-2135	167	24	uzzaman	uzzaman	NOUN
eurjchem-2135	167	25	;	;	PUNCT
eurjchem-2135	167	26	validation	validation	NOUN
eurjchem-2135	167	27	:	:	PUNCT
eurjchem-2135	167	28	monir	monir	NOUN
eurjchem-2135	167	29	uzzaman	uzzaman	NOUN
eurjchem-2135	167	30	;	;	PUNCT
eurjchem-2135	167	31	formal	formal	ADJ
eurjchem-2135	167	32	analysis	analysis	NOUN
eurjchem-2135	167	33	:	:	PUNCT
eurjchem-2135	167	34	monir	monir	NOUN
eurjchem-2135	167	35	uzzaman	uzzaman	NOUN
eurjchem-2135	167	36	,	,	PUNCT
eurjchem-2135	167	37	amrin	amrin	PROPN
eurjchem-2135	167	38	ahsan	ahsan	PROPN
eurjchem-2135	167	39	;	;	PUNCT
eurjchem-2135	167	40	investigation	investigation	NOUN
eurjchem-2135	167	41	:	:	PUNCT
eurjchem-2135	167	42	mohammad	mohammad	PROPN
eurjchem-2135	167	43	nasir	nasir	PROPN
eurjchem-2135	167	44	uddin	uddin	PROPN
eurjchem-2135	167	45	;	;	PUNCT
eurjchem-2135	167	46	resources	resource	NOUN
eurjchem-2135	167	47	:	:	PUNCT
eurjchem-2135	167	48	monir	monir	PROPN
eurjchem-2135	167	49	uzzaman	uzzaman	NOUN
eurjchem-2135	167	50	;	;	PUNCT
eurjchem-2135	167	51	data	datum	NOUN
eurjchem-2135	167	52	curation	curation	NOUN
eurjchem-2135	167	53	:	:	PUNCT
eurjchem-2135	167	54	monir	monir	PROPN
eurjchem-2135	167	55	uzzaman	uzzaman	NOUN
eurjchem-2135	167	56	;	;	PUNCT
eurjchem-2135	167	57	writing	write	VERB
eurjchem-2135	167	58	original	original	ADJ
eurjchem-2135	167	59	draft	draft	NOUN
eurjchem-2135	167	60	:	:	PUNCT
eurjchem-2135	167	61	monir	monir	NOUN
eurjchem-2135	167	62	uzzaman	uzzaman	NOUN
eurjchem-2135	167	63	;	;	PUNCT
eurjchem-2135	167	64	writing	write	VERB
eurjchem-2135	167	65	review	review	NOUN
eurjchem-2135	167	66	and	and	CCONJ
eurjchem-2135	167	67	editing	editing	NOUN
eurjchem-2135	167	68	:	:	PUNCT
eurjchem-2135	167	69	mohammad	mohammad	PROPN
eurjchem-2135	167	70	nasir	nasir	PROPN
eurjchem-2135	167	71	uddin	uddin	PROPN
eurjchem-2135	167	72	;	;	PUNCT
eurjchem-2135	167	73	visualization	visualization	NOUN
eurjchem-2135	167	74	:	:	PUNCT
eurjchem-2135	167	75	amrin	amrin	PROPN
eurjchem-2135	167	76	ahsan	ahsan	PROPN
eurjchem-2135	167	77	;	;	PUNCT
eurjchem-2135	167	78	supervision	supervision	NOUN
eurjchem-2135	167	79	:	:	PUNCT
eurjchem-2135	167	80	mohammad	mohammad	PROPN
eurjchem-2135	167	81	nasir	nasir	PROPN
eurjchem-2135	167	82	uddin	uddin	PROPN
eurjchem-2135	167	83	;	;	PUNCT
eurjchem-2135	167	84	project	project	NOUN
eurjchem-2135	167	85	administration	administration	NOUN
eurjchem-2135	167	86	:	:	PUNCT
eurjchem-2135	167	87	mohammad	mohammad	PROPN
eurjchem-2135	167	88	nasir	nasir	PROPN
eurjchem-2135	167	89	uddin	uddin	PROPN
eurjchem-2135	167	90	.	.	PUNCT
eurjchem-2135	168	1	orcid	orcid	PROPN
eurjchem-2135	168	2	monir	monir	PROPN
eurjchem-2135	168	3	uzzaman	uzzaman	NOUN
eurjchem-2135	168	4	https://orcid.org/0000-0002-6887-9344	https://orcid.org/0000-0002-6887-9344	PROPN
eurjchem-2135	168	5	amrin	amrin	PROPN
eurjchem-2135	168	6	ahsan	ahsan	PROPN
eurjchem-2135	168	7	https://orcid.org/0000-0003-3117-5228	https://orcid.org/0000-0003-3117-5228	PROPN
eurjchem-2135	168	8	mohammad	mohammad	PROPN
eurjchem-2135	168	9	nasir	nasir	PROPN
eurjchem-2135	168	10	uddin	uddin	PROPN
eurjchem-2135	168	11	https://orcid.org/0000-0003-1235-2081	https://orcid.org/0000-0003-1235-2081	PROPN
eurjchem-2135	168	12	references	reference	NOUN
eurjchem-2135	168	13	[	[	X
eurjchem-2135	168	14	1	1	NUM
eurjchem-2135	168	15	]	]	PUNCT
eurjchem-2135	168	16	.	.	PUNCT
eurjchem-2135	169	1	olkkola	olkkola	PROPN
eurjchem-2135	169	2	,	,	PUNCT
eurjchem-2135	169	3	k.	k.	PROPN
eurjchem-2135	169	4	t.	t.	PROPN
eurjchem-2135	169	5	;	;	PUNCT
eurjchem-2135	169	6	ahonen	ahonen	ADJ
eurjchem-2135	169	7	,	,	PUNCT
eurjchem-2135	169	8	j.	j.	PROPN
eurjchem-2135	169	9	handb	handb	PROPN
eurjchem-2135	169	10	.	.	PUNCT
eurjchem-2135	170	1	exp	exp	PROPN
eurjchem-2135	170	2	.	.	PUNCT
eurjchem-2135	170	3	pharmacol	pharmacol	PROPN
eurjchem-2135	170	4	.	.	PUNCT
eurjchem-2135	171	1	2008	2008	NUM
eurjchem-2135	171	2	,	,	PUNCT
eurjchem-2135	171	3	no	no	INTJ
eurjchem-2135	171	4	.	.	NOUN
eurjchem-2135	171	5	182	182	NUM
eurjchem-2135	171	6	,	,	PUNCT
eurjchem-2135	171	7	335	335	NUM
eurjchem-2135	171	8	–	–	PUNCT
eurjchem-2135	171	9	360	360	NUM
eurjchem-2135	171	10	.	.	PUNCT
eurjchem-2135	172	1	[	[	X
eurjchem-2135	172	2	2	2	NUM
eurjchem-2135	172	3	]	]	PUNCT
eurjchem-2135	172	4	.	.	PUNCT
eurjchem-2135	172	5	page	page	NOUN
eurjchem-2135	172	6	,	,	PUNCT
eurjchem-2135	172	7	c.	c.	PROPN
eurjchem-2135	172	8	p.	p.	PROPN
eurjchem-2135	172	9	;	;	PUNCT
eurjchem-2135	172	10	curtis	curtis	PROPN
eurjchem-2135	172	11	,	,	PUNCT
eurjchem-2135	172	12	m.	m.	NOUN
eurjchem-2135	172	13	;	;	PUNCT
eurjchem-2135	172	14	sutter	sutter	NOUN
eurjchem-2135	172	15	,	,	PUNCT
eurjchem-2135	172	16	m.	m.	PROPN
eurjchem-2135	172	17	c.	c.	PROPN
eurjchem-2135	172	18	;	;	PUNCT
eurjchem-2135	172	19	walker	walker	PROPN
eurjchem-2135	172	20	,	,	PUNCT
eurjchem-2135	172	21	m.	m.	NOUN
eurjchem-2135	172	22	;	;	PUNCT
eurjchem-2135	172	23	hoffman	hoffman	PROPN
eurjchem-2135	172	24	,	,	PUNCT
eurjchem-2135	172	25	b.	b.	PROPN
eurjchem-2135	172	26	integrated	integrate	VERB
eurjchem-2135	172	27	pharmacology	pharmacology	NOUN
eurjchem-2135	172	28	,	,	PUNCT
eurjchem-2135	172	29	2nd	2nd	ADJ
eurjchem-2135	172	30	ed	ed	NOUN
eurjchem-2135	172	31	.	.	PUNCT
eurjchem-2135	172	32	;	;	PUNCT
eurjchem-2135	172	33	mosby	mosby	PROPN
eurjchem-2135	172	34	:	:	PUNCT
eurjchem-2135	172	35	london	london	PROPN
eurjchem-2135	172	36	,	,	PUNCT
eurjchem-2135	172	37	england	england	PROPN
eurjchem-2135	172	38	,	,	PUNCT
eurjchem-2135	172	39	2002	2002	NUM
eurjchem-2135	172	40	.	.	PUNCT
eurjchem-2135	173	1	[	[	X
eurjchem-2135	173	2	3	3	NUM
eurjchem-2135	173	3	]	]	PUNCT
eurjchem-2135	173	4	.	.	PUNCT
eurjchem-2135	173	5	wafford	wafford	PROPN
eurjchem-2135	173	6	,	,	PUNCT
eurjchem-2135	173	7	k.	k.	PROPN
eurjchem-2135	173	8	a.	a.	PROPN
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eurjchem-2135	175	2	.	.	PROPN
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eurjchem-2135	176	2	,	,	PUNCT
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eurjchem-2135	176	7	,	,	PUNCT
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eurjchem-2135	176	9	.	.	PUNCT
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eurjchem-2135	177	4	.	.	PUNCT
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eurjchem-2135	178	4	;	;	PUNCT
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eurjchem-2135	179	5	.	.	PUNCT
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eurjchem-2135	180	2	,	,	PUNCT
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eurjchem-2135	180	7	,	,	PUNCT
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eurjchem-2135	181	1	[	[	X
eurjchem-2135	181	2	5	5	NUM
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eurjchem-2135	181	4	.	.	PUNCT
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eurjchem-2135	183	5	;	;	PUNCT
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eurjchem-2135	184	2	,	,	PUNCT
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eurjchem-2135	184	4	(	(	PUNCT
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eurjchem-2135	184	6	)	)	PUNCT
eurjchem-2135	184	7	,	,	PUNCT
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eurjchem-2135	184	9	.	.	PUNCT
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eurjchem-2135	185	4	.	.	PUNCT
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eurjchem-2135	186	5	;	;	PUNCT
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eurjchem-2135	187	6	.	.	PUNCT
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eurjchem-2135	188	2	,	,	PUNCT
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eurjchem-2135	188	7	,	,	PUNCT
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eurjchem-2135	189	1	[	[	X
eurjchem-2135	189	2	7	7	NUM
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eurjchem-2135	189	4	.	.	PUNCT
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eurjchem-2135	189	9	;	;	PUNCT
eurjchem-2135	189	10	gleeson	gleeson	PROPN
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eurjchem-2135	189	13	j.	j.	PROPN
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eurjchem-2135	190	4	.	.	PUNCT
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eurjchem-2135	191	2	,	,	PUNCT
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eurjchem-2135	191	7	,	,	PUNCT
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eurjchem-2135	192	1	[	[	X
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eurjchem-2135	192	4	.	.	PUNCT
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eurjchem-2135	192	9	;	;	PUNCT
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eurjchem-2135	193	2	.	.	PUNCT
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eurjchem-2135	194	2	,	,	PUNCT
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eurjchem-2135	194	9	.	.	PUNCT
eurjchem-2135	195	1	[	[	X
eurjchem-2135	195	2	9	9	NUM
eurjchem-2135	195	3	]	]	PUNCT
eurjchem-2135	195	4	.	.	PUNCT
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eurjchem-2135	195	9	;	;	PUNCT
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eurjchem-2135	195	13	;	;	PUNCT
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eurjchem-2135	195	18	;	;	PUNCT
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eurjchem-2135	195	33	;	;	PUNCT
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eurjchem-2135	195	37	;	;	PUNCT
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eurjchem-2135	195	39	,	,	PUNCT
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eurjchem-2135	195	41	;	;	PUNCT
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eurjchem-2135	195	45	;	;	PUNCT
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eurjchem-2135	195	52	,	,	PUNCT
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eurjchem-2135	195	54	;	;	PUNCT
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eurjchem-2135	195	62	;	;	PUNCT
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eurjchem-2135	195	85	;	;	PUNCT
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eurjchem-2135	195	113	;	;	PUNCT
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eurjchem-2135	195	121	;	;	PUNCT
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eurjchem-2135	195	147	;	;	PUNCT
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eurjchem-2135	195	156	;	;	PUNCT
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eurjchem-2135	195	178	;	;	PUNCT
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eurjchem-2135	195	182	;	;	PUNCT
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eurjchem-2135	195	187	;	;	PUNCT
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eurjchem-2135	195	192	;	;	PUNCT
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eurjchem-2135	195	194	,	,	PUNCT
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eurjchem-2135	195	200	;	;	PUNCT
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eurjchem-2135	195	204	;	;	PUNCT
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eurjchem-2135	195	220	,	,	PUNCT
eurjchem-2135	195	221	j.	j.	PROPN
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eurjchem-2135	195	225	,	,	PUNCT
eurjchem-2135	195	226	v.	v.	PROPN
eurjchem-2135	195	227	;	;	PUNCT
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eurjchem-2135	195	230	c.	c.	PROPN
eurjchem-2135	195	231	;	;	PUNCT
eurjchem-2135	195	232	jaramillo	jaramillo	PROPN
eurjchem-2135	195	233	,	,	PUNCT
eurjchem-2135	195	234	j.	j.	PROPN
eurjchem-2135	195	235	;	;	PUNCT
eurjchem-2135	195	236	gomperts	gomperts	PROPN
eurjchem-2135	195	237	,	,	PUNCT
eurjchem-2135	195	238	r.	r.	PROPN
eurjchem-2135	195	239	;	;	PUNCT
eurjchem-2135	195	240	stratmann	stratmann	PROPN
eurjchem-2135	195	241	,	,	PUNCT
eurjchem-2135	195	242	r.	r.	PROPN
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eurjchem-2135	195	244	;	;	PUNCT
eurjchem-2135	195	245	yazyev	yazyev	PROPN
eurjchem-2135	195	246	,	,	PUNCT
eurjchem-2135	195	247	o.	o.	PROPN
eurjchem-2135	195	248	;	;	PUNCT
eurjchem-2135	195	249	a.	a.	PROPN
eurjchem-2135	195	250	j.	j.	PROPN
eurjchem-2135	195	251	austin	austin	PROPN
eurjchem-2135	195	252	,	,	PUNCT
eurjchem-2135	195	253	a.	a.	PROPN
eurjchem-2135	195	254	j.	j.	PROPN
eurjchem-2135	195	255	;	;	PUNCT
eurjchem-2135	195	256	cammi	cammi	PROPN
eurjchem-2135	195	257	,	,	PUNCT
eurjchem-2135	195	258	r.	r.	PROPN
eurjchem-2135	195	259	;	;	PUNCT
eurjchem-2135	195	260	pomelli	pomelli	PROPN
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eurjchem-2135	195	263	;	;	PUNCT
eurjchem-2135	195	264	ochterski	ochterski	PROPN
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eurjchem-2135	195	266	j.	j.	PROPN
eurjchem-2135	195	267	w.	w.	PROPN
eurjchem-2135	195	268	;	;	PUNCT
eurjchem-2135	195	269	martin	martin	PROPN
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eurjchem-2135	195	271	r.	r.	PROPN
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eurjchem-2135	195	273	;	;	PUNCT
eurjchem-2135	195	274	morokuma	morokuma	PROPN
eurjchem-2135	195	275	,	,	PUNCT
eurjchem-2135	195	276	k.	k.	PROPN
eurjchem-2135	195	277	;	;	PUNCT
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eurjchem-2135	195	280	v.	v.	ADP
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eurjchem-2135	195	282	;	;	PUNCT
eurjchem-2135	195	283	voth	voth	PROPN
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eurjchem-2135	195	285	g.	g.	PROPN
eurjchem-2135	195	286	a.	a.	PROPN
eurjchem-2135	195	287	;	;	PUNCT
eurjchem-2135	195	288	salvador	salvador	PROPN
eurjchem-2135	195	289	,	,	PUNCT
eurjchem-2135	195	290	p.	p.	PROPN
eurjchem-2135	195	291	;	;	PUNCT
eurjchem-2135	195	292	dannenberg	dannenberg	PROPN
eurjchem-2135	195	293	,	,	PUNCT
eurjchem-2135	195	294	j.	j.	PROPN
eurjchem-2135	195	295	j.	j.	PROPN
eurjchem-2135	195	296	;	;	PUNCT
eurjchem-2135	195	297	dapprich	dapprich	PROPN
eurjchem-2135	195	298	,	,	PUNCT
eurjchem-2135	195	299	s.	s.	PROPN
eurjchem-2135	195	300	;	;	PUNCT
eurjchem-2135	195	301	daniels	daniels	PROPN
eurjchem-2135	195	302	,	,	PUNCT
eurjchem-2135	195	303	a.	a.	PROPN
eurjchem-2135	195	304	d.	d.	PROPN
eurjchem-2135	195	305	;	;	PUNCT
eurjchem-2135	195	306	farkas	farkas	PROPN
eurjchem-2135	195	307	,	,	PUNCT
eurjchem-2135	195	308	o.	o.	PROPN
eurjchem-2135	195	309	;	;	PUNCT
eurjchem-2135	195	310	foresman	foresman	PROPN
eurjchem-2135	195	311	,	,	PUNCT
eurjchem-2135	195	312	j.	j.	PROPN
eurjchem-2135	195	313	b.	b.	PROPN
eurjchem-2135	195	314	;	;	PUNCT
eurjchem-2135	195	315	ortiz	ortiz	PROPN
eurjchem-2135	195	316	,	,	PUNCT
eurjchem-2135	195	317	j.	j.	PROPN
eurjchem-2135	195	318	v.	v.	PROPN
eurjchem-2135	195	319	;	;	PUNCT
eurjchem-2135	195	320	cioslowski	cioslowski	PROPN
eurjchem-2135	195	321	,	,	PUNCT
eurjchem-2135	195	322	j.	j.	PROPN
eurjchem-2135	195	323	;	;	PUNCT
eurjchem-2135	195	324	fox	fox	PROPN
eurjchem-2135	195	325	,	,	PUNCT
eurjchem-2135	195	326	d.	d.	PROPN
eurjchem-2135	195	327	j.	j.	PROPN
eurjchem-2135	195	328	gaussian	gaussian	PROPN
eurjchem-2135	195	329	,	,	PUNCT
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eurjchem-2135	195	331	.	.	PROPN
eurjchem-2135	195	332	,	,	PUNCT
eurjchem-2135	195	333	gaussian	gaussian	NOUN
eurjchem-2135	195	334	09	09	NUM
eurjchem-2135	195	335	,	,	PUNCT
eurjchem-2135	195	336	revision	revision	NOUN
eurjchem-2135	195	337	a.	a.	NOUN
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eurjchem-2135	195	339	,	,	PUNCT
eurjchem-2135	195	340	wallingford	wallingford	PROPN
eurjchem-2135	195	341	ct	ct	PROPN
eurjchem-2135	195	342	,	,	PUNCT
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eurjchem-2135	195	344	.	.	PUNCT
eurjchem-2135	196	1	[	[	X
eurjchem-2135	196	2	10	10	NUM
eurjchem-2135	196	3	]	]	PUNCT
eurjchem-2135	196	4	.	.	PUNCT
eurjchem-2135	197	1	becke	becke	NOUN
eurjchem-2135	197	2	,	,	PUNCT
eurjchem-2135	197	3	a.	a.	PROPN
eurjchem-2135	197	4	d.	d.	PROPN
eurjchem-2135	197	5	phys	phys	PROPN
eurjchem-2135	197	6	.	.	PUNCT
eurjchem-2135	198	1	rev	rev	PROPN
eurjchem-2135	198	2	.	.	PROPN
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eurjchem-2135	199	2	gen	gen	PROPN
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eurjchem-2135	199	5	.	.	PUNCT
eurjchem-2135	200	1	1988	1988	NUM
eurjchem-2135	200	2	,	,	PUNCT
eurjchem-2135	200	3	38	38	NUM
eurjchem-2135	200	4	(	(	PUNCT
eurjchem-2135	200	5	6	6	NUM
eurjchem-2135	200	6	)	)	PUNCT
eurjchem-2135	200	7	,	,	PUNCT
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eurjchem-2135	200	9	.	.	PUNCT
eurjchem-2135	201	1	[	[	X
eurjchem-2135	201	2	11	11	NUM
eurjchem-2135	201	3	]	]	PUNCT
eurjchem-2135	201	4	.	.	PUNCT
eurjchem-2135	202	1	lee	lee	PROPN
eurjchem-2135	202	2	,	,	PUNCT
eurjchem-2135	202	3	c.	c.	PROPN
eurjchem-2135	202	4	;	;	PUNCT
eurjchem-2135	202	5	yang	yang	PROPN
eurjchem-2135	202	6	,	,	PUNCT
eurjchem-2135	202	7	w.	w.	PROPN
eurjchem-2135	202	8	;	;	PUNCT
eurjchem-2135	202	9	parr	parr	PROPN
eurjchem-2135	202	10	,	,	PUNCT
eurjchem-2135	202	11	r.	r.	PROPN
eurjchem-2135	202	12	g.	g.	PROPN
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eurjchem-2135	202	14	.	.	PUNCT
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eurjchem-2135	203	5	.	.	PUNCT
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eurjchem-2135	204	5	(	(	PUNCT
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eurjchem-2135	204	7	)	)	PUNCT
eurjchem-2135	204	8	,	,	PUNCT
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eurjchem-2135	204	10	.	.	PUNCT
eurjchem-2135	205	1	[	[	X
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eurjchem-2135	205	3	]	]	PUNCT
eurjchem-2135	205	4	.	.	PUNCT
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eurjchem-2135	206	2	,	,	PUNCT
eurjchem-2135	206	3	h.	h.	PROPN
eurjchem-2135	206	4	;	;	PUNCT
eurjchem-2135	206	5	goerigk	goerigk	PROPN
eurjchem-2135	206	6	,	,	PUNCT
eurjchem-2135	206	7	l.	l.	PROPN
eurjchem-2135	206	8	;	;	PUNCT
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eurjchem-2135	206	10	,	,	PUNCT
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eurjchem-2135	207	2	,	,	PUNCT
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eurjchem-2135	207	6	)	)	PUNCT
eurjchem-2135	207	7	,	,	PUNCT
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eurjchem-2135	207	9	–	–	PUNCT
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eurjchem-2135	207	11	.	.	PUNCT
eurjchem-2135	208	1	[	[	X
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eurjchem-2135	208	3	]	]	PUNCT
eurjchem-2135	208	4	.	.	PUNCT
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eurjchem-2135	209	2	,	,	PUNCT
eurjchem-2135	209	3	f.	f.	PROPN
eurjchem-2135	209	4	;	;	PUNCT
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eurjchem-2135	209	6	,	,	PUNCT
eurjchem-2135	209	7	n.	n.	PROPN
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eurjchem-2135	209	9	;	;	PUNCT
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eurjchem-2135	209	23	;	;	PUNCT
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eurjchem-2135	211	2	,	,	PUNCT
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eurjchem-2135	211	6	,	,	PUNCT
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eurjchem-2135	211	8	.	.	PUNCT
eurjchem-2135	212	1	[	[	X
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eurjchem-2135	212	3	]	]	SYM
eurjchem-2135	212	4	.	.	PUNCT
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eurjchem-2135	213	4	;	;	PUNCT
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eurjchem-2135	213	16	,	,	PUNCT
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eurjchem-2135	213	18	.	.	PUNCT
eurjchem-2135	214	1	[	[	X
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eurjchem-2135	214	4	.	.	PUNCT
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eurjchem-2135	215	7	.	.	PUNCT
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eurjchem-2135	216	3	,	,	PUNCT
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eurjchem-2135	216	5	(	(	PUNCT
eurjchem-2135	216	6	1–2	1–2	NUM
eurjchem-2135	216	7	)	)	PUNCT
eurjchem-2135	216	8	,	,	PUNCT
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eurjchem-2135	216	10	.	.	PUNCT
eurjchem-2135	217	1	[	[	X
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eurjchem-2135	217	4	.	.	PUNCT
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eurjchem-2135	218	6	.	.	PUNCT
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eurjchem-2135	219	2	.	.	PUNCT
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eurjchem-2135	220	2	.	.	PUNCT
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eurjchem-2135	221	2	.	.	PUNCT
eurjchem-2135	221	3	u.	u.	PROPN
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eurjchem-2135	221	7	,	,	PUNCT
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eurjchem-2135	221	12	,	,	PUNCT
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eurjchem-2135	222	1	[	[	X
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eurjchem-2135	222	4	.	.	PUNCT
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eurjchem-2135	223	2	,	,	PUNCT
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eurjchem-2135	223	5	;	;	PUNCT
eurjchem-2135	223	6	aricescu	aricescu	NOUN
eurjchem-2135	223	7	,	,	PUNCT
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eurjchem-2135	223	12	,	,	PUNCT
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eurjchem-2135	223	14	(	(	PUNCT
eurjchem-2135	223	15	7514	7514	NUM
eurjchem-2135	223	16	)	)	PUNCT
eurjchem-2135	223	17	,	,	PUNCT
eurjchem-2135	223	18	270–275	270–275	NUM
eurjchem-2135	223	19	.	.	PUNCT
eurjchem-2135	224	1	[	[	X
eurjchem-2135	224	2	18	18	NUM
eurjchem-2135	224	3	]	]	PUNCT
eurjchem-2135	224	4	.	.	PUNCT
eurjchem-2135	225	1	uddin	uddin	PROPN
eurjchem-2135	225	2	,	,	PUNCT
eurjchem-2135	225	3	m.	m.	NOUN
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eurjchem-2135	225	5	;	;	PUNCT
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eurjchem-2135	225	7	,	,	PUNCT
eurjchem-2135	225	8	m.	m.	NOUN
eurjchem-2135	225	9	;	;	PUNCT
eurjchem-2135	225	10	das	das	PROPN
eurjchem-2135	225	11	,	,	PUNCT
eurjchem-2135	225	12	s.	s.	PROPN
eurjchem-2135	225	13	;	;	PUNCT
eurjchem-2135	225	14	al	al	PROPN
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eurjchem-2135	225	16	amin	amin	PROPN
eurjchem-2135	225	17	,	,	PUNCT
eurjchem-2135	225	18	m.	m.	NOUN
eurjchem-2135	225	19	;	;	PUNCT
eurjchem-2135	225	20	haque	haque	PROPN
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eurjchem-2135	225	22	,	,	PUNCT
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eurjchem-2135	225	25	j.	j.	PROPN
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eurjchem-2135	225	28	.	.	PUNCT
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eurjchem-2135	226	3	,	,	PUNCT
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eurjchem-2135	226	5	(	(	PUNCT
eurjchem-2135	226	6	1	1	NUM
eurjchem-2135	226	7	)	)	PUNCT
eurjchem-2135	226	8	,	,	PUNCT
eurjchem-2135	226	9	1134–1146	1134–1146	NUM
eurjchem-2135	226	10	.	.	PUNCT
eurjchem-2135	227	1	[	[	X
eurjchem-2135	227	2	19	19	NUM
eurjchem-2135	227	3	]	]	PUNCT
eurjchem-2135	227	4	.	.	PUNCT
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eurjchem-2135	229	2	-	-	ADJ
eurjchem-2135	229	3	lano	lano	PROPN
eurjchem-2135	229	4	scientific	scientific	PROPN
eurjchem-2135	229	5	,	,	PUNCT
eurjchem-2135	229	6	san	san	PROPN
eurjchem-2135	229	7	carlos	carlos	PROPN
eurjchem-2135	229	8	,	,	PUNCT
eurjchem-2135	229	9	ca	ca	PROPN
eurjchem-2135	229	10	,	,	PUNCT
eurjchem-2135	229	11	usa	usa	PROPN
eurjchem-2135	229	12	,	,	PUNCT
eurjchem-2135	229	13	2002	2002	NUM
eurjchem-2135	229	14	.	.	PUNCT
eurjchem-2135	230	1	https://pymol.org	https://pymol.org	X
eurjchem-2135	231	1	[	[	X
eurjchem-2135	231	2	20	20	NUM
eurjchem-2135	231	3	]	]	PUNCT
eurjchem-2135	231	4	.	.	PUNCT
eurjchem-2135	232	1	chemical	chemical	NOUN
eurjchem-2135	232	2	biology	biology	NOUN
eurjchem-2135	232	3	:	:	PUNCT
eurjchem-2135	232	4	methods	method	NOUN
eurjchem-2135	232	5	and	and	CCONJ
eurjchem-2135	232	6	protocols	protocol	NOUN
eurjchem-2135	232	7	,	,	PUNCT
eurjchem-2135	232	8	2015th	2015th	PROPN
eurjchem-2135	232	9	ed	ed	NOUN
eurjchem-2135	232	10	.	.	PUNCT
eurjchem-2135	232	11	;	;	PUNCT
eurjchem-2135	233	1	hempel	hempel	PROPN
eurjchem-2135	233	2	,	,	PUNCT
eurjchem-2135	233	3	j.	j.	PROPN
eurjchem-2135	233	4	e.	e.	PROPN
eurjchem-2135	233	5	,	,	PUNCT
eurjchem-2135	233	6	williams	williams	PROPN
eurjchem-2135	233	7	,	,	PUNCT
eurjchem-2135	233	8	c.	c.	PROPN
eurjchem-2135	233	9	h.	h.	PROPN
eurjchem-2135	233	10	,	,	PUNCT
eurjchem-2135	233	11	hong	hong	PROPN
eurjchem-2135	233	12	,	,	PUNCT
eurjchem-2135	233	13	c.	c.	PROPN
eurjchem-2135	233	14	c.	c.	PROPN
eurjchem-2135	233	15	,	,	PUNCT
eurjchem-2135	233	16	eds	eds	PROPN
eurjchem-2135	233	17	.	.	PUNCT
eurjchem-2135	233	18	;	;	PUNCT
eurjchem-2135	233	19	springer	springer	NOUN
eurjchem-2135	233	20	:	:	PUNCT
eurjchem-2135	233	21	totowa	totowa	PROPN
eurjchem-2135	233	22	,	,	PUNCT
eurjchem-2135	233	23	nj	nj	PROPN
eurjchem-2135	233	24	,	,	PUNCT
eurjchem-2135	233	25	2015	2015	NUM
eurjchem-2135	233	26	.	.	PUNCT
eurjchem-2135	234	1	[	[	X
eurjchem-2135	234	2	21	21	NUM
eurjchem-2135	234	3	]	]	PUNCT
eurjchem-2135	234	4	.	.	PUNCT
eurjchem-2135	235	1	pathwave	pathwave	PROPN
eurjchem-2135	235	2	advanced	advanced	ADJ
eurjchem-2135	235	3	design	design	NOUN
eurjchem-2135	235	4	system	system	NOUN
eurjchem-2135	235	5	(	(	PUNCT
eurjchem-2135	235	6	ads	ad	NOUN
eurjchem-2135	235	7	)	)	PUNCT
eurjchem-2135	235	8	,	,	PUNCT
eurjchem-2135	235	9	version	version	NOUN
eurjchem-2135	235	10	4.0	4.0	NUM
eurjchem-2135	235	11	,	,	PUNCT
eurjchem-2135	235	12	accelrys	accelry	NOUN
eurjchem-2135	235	13	,	,	PUNCT
eurjchem-2135	235	14	san	san	PROPN
eurjchem-2135	235	15	diego	diego	PROPN
eurjchem-2135	235	16	,	,	PUNCT
eurjchem-2135	235	17	usa	usa	PROPN
eurjchem-2135	235	18	,	,	PUNCT
eurjchem-2135	235	19	2017	2017	NUM
eurjchem-2135	235	20	.	.	PUNCT
eurjchem-2135	236	1	https://www.keysight.com/	https://www.keysight.com/	NOUN
eurjchem-2135	237	1	[	[	X
eurjchem-2135	237	2	22	22	NUM
eurjchem-2135	237	3	]	]	PUNCT
eurjchem-2135	237	4	.	.	PUNCT
eurjchem-2135	238	1	cheng	cheng	PROPN
eurjchem-2135	238	2	,	,	PUNCT
eurjchem-2135	238	3	f.	f.	PROPN
eurjchem-2135	238	4	;	;	PUNCT
eurjchem-2135	238	5	li	li	PROPN
eurjchem-2135	238	6	,	,	PUNCT
eurjchem-2135	238	7	w.	w.	PROPN
eurjchem-2135	238	8	;	;	PUNCT
eurjchem-2135	238	9	zhou	zhou	PROPN
eurjchem-2135	238	10	,	,	PUNCT
eurjchem-2135	238	11	y.	y.	PROPN
eurjchem-2135	238	12	;	;	PUNCT
eurjchem-2135	238	13	shen	shen	PROPN
eurjchem-2135	238	14	,	,	PUNCT
eurjchem-2135	238	15	j.	j.	PROPN
eurjchem-2135	238	16	;	;	PUNCT
eurjchem-2135	238	17	wu	wu	PROPN
eurjchem-2135	238	18	,	,	PUNCT
eurjchem-2135	238	19	z.	z.	PROPN
eurjchem-2135	238	20	;	;	PUNCT
eurjchem-2135	238	21	liu	liu	PROPN
eurjchem-2135	238	22	,	,	PUNCT
eurjchem-2135	238	23	g.	g.	PROPN
eurjchem-2135	238	24	;	;	PUNCT
eurjchem-2135	238	25	lee	lee	PROPN
eurjchem-2135	238	26	,	,	PUNCT
eurjchem-2135	238	27	p.	p.	PROPN
eurjchem-2135	238	28	w.	w.	PROPN
eurjchem-2135	238	29	;	;	PUNCT
eurjchem-2135	238	30	tang	tang	PROPN
eurjchem-2135	238	31	,	,	PUNCT
eurjchem-2135	238	32	y.	y.	PROPN
eurjchem-2135	238	33	j.	j.	PROPN
eurjchem-2135	238	34	chem	chem	PROPN
eurjchem-2135	238	35	.	.	PUNCT
eurjchem-2135	239	1	inf	inf	PROPN
eurjchem-2135	239	2	.	.	PROPN
eurjchem-2135	239	3	model	model	PROPN
eurjchem-2135	239	4	.	.	PUNCT
eurjchem-2135	240	1	2012	2012	NUM
eurjchem-2135	240	2	,	,	PUNCT
eurjchem-2135	240	3	52	52	NUM
eurjchem-2135	240	4	(	(	PUNCT
eurjchem-2135	240	5	11	11	NUM
eurjchem-2135	240	6	)	)	PUNCT
eurjchem-2135	240	7	,	,	PUNCT
eurjchem-2135	240	8	3099–3105	3099–3105	NUM
eurjchem-2135	240	9	.	.	PUNCT
eurjchem-2135	241	1	[	[	X
eurjchem-2135	241	2	23	23	NUM
eurjchem-2135	241	3	]	]	PUNCT
eurjchem-2135	241	4	.	.	PUNCT
eurjchem-2135	242	1	cohen	cohen	PROPN
eurjchem-2135	242	2	,	,	PUNCT
eurjchem-2135	242	3	n.	n.	PROPN
eurjchem-2135	242	4	;	;	PUNCT
eurjchem-2135	242	5	benson	benson	PROPN
eurjchem-2135	242	6	,	,	PUNCT
eurjchem-2135	242	7	s.	s.	PROPN
eurjchem-2135	242	8	w.	w.	PROPN
eurjchem-2135	242	9	chem	chem	PROPN
eurjchem-2135	242	10	.	.	PUNCT
eurjchem-2135	243	1	rev	rev	PROPN
eurjchem-2135	243	2	.	.	PROPN
eurjchem-2135	243	3	1993	1993	NUM
eurjchem-2135	243	4	,	,	PUNCT
eurjchem-2135	243	5	93	93	NUM
eurjchem-2135	243	6	(	(	PUNCT
eurjchem-2135	243	7	7	7	NUM
eurjchem-2135	243	8	)	)	PUNCT
eurjchem-2135	243	9	,	,	PUNCT
eurjchem-2135	243	10	2419–2438	2419–2438	NUM
eurjchem-2135	243	11	.	.	PUNCT
eurjchem-2135	244	1	[	[	X
eurjchem-2135	244	2	24	24	NUM
eurjchem-2135	244	3	]	]	PUNCT
eurjchem-2135	244	4	.	.	PUNCT
eurjchem-2135	245	1	lien	lien	PROPN
eurjchem-2135	245	2	,	,	PUNCT
eurjchem-2135	245	3	e.	e.	PROPN
eurjchem-2135	245	4	j.	j.	PROPN
eurjchem-2135	245	5	;	;	PUNCT
eurjchem-2135	245	6	guo	guo	PROPN
eurjchem-2135	245	7	,	,	PUNCT
eurjchem-2135	245	8	z.-r	z.-r	PROPN
eurjchem-2135	245	9	.	.	PUNCT
eurjchem-2135	245	10	;	;	PUNCT
eurjchem-2135	245	11	li	li	PROPN
eurjchem-2135	245	12	,	,	PUNCT
eurjchem-2135	245	13	r.-l	r.-l	PROPN
eurjchem-2135	245	14	.	.	PUNCT
eurjchem-2135	245	15	;	;	PUNCT
eurjchem-2135	245	16	su	su	PROPN
eurjchem-2135	245	17	,	,	PUNCT
eurjchem-2135	245	18	c.-t	c.-t	PROPN
eurjchem-2135	245	19	.	.	PUNCT
eurjchem-2135	246	1	j.	j.	PROPN
eurjchem-2135	246	2	pharm	pharm	PROPN
eurjchem-2135	246	3	.	.	PUNCT
eurjchem-2135	247	1	sci	sci	PROPN
eurjchem-2135	247	2	.	.	PROPN
eurjchem-2135	247	3	1982	1982	NUM
eurjchem-2135	247	4	,	,	PUNCT
eurjchem-2135	247	5	71	71	NUM
eurjchem-2135	247	6	(	(	PUNCT
eurjchem-2135	247	7	6	6	NUM
eurjchem-2135	247	8	)	)	PUNCT
eurjchem-2135	247	9	,	,	PUNCT
eurjchem-2135	247	10	641	641	NUM
eurjchem-2135	247	11	–	–	PUNCT
eurjchem-2135	247	12	655	655	NUM
eurjchem-2135	247	13	.	.	PUNCT
eurjchem-2135	248	1	[	[	X
eurjchem-2135	248	2	25	25	NUM
eurjchem-2135	248	3	]	]	PUNCT
eurjchem-2135	248	4	.	.	PUNCT
eurjchem-2135	249	1	saravanan	saravanan	PROPN
eurjchem-2135	249	2	,	,	PUNCT
eurjchem-2135	249	3	s.	s.	PROPN
eurjchem-2135	249	4	;	;	PUNCT
eurjchem-2135	249	5	balachandran	balachandran	NOUN
eurjchem-2135	249	6	,	,	PUNCT
eurjchem-2135	249	7	v.	v.	ADP
eurjchem-2135	249	8	spectrochim	spectrochim	PROPN
eurjchem-2135	249	9	.	.	PUNCT
eurjchem-2135	250	1	acta	acta	PROPN
eurjchem-2135	250	2	a	a	DET
eurjchem-2135	250	3	mol	mol	PROPN
eurjchem-2135	250	4	.	.	PROPN
eurjchem-2135	250	5	biomol	biomol	PROPN
eurjchem-2135	250	6	.	.	PUNCT
eurjchem-2135	251	1	spectrosc	spectrosc	PROPN
eurjchem-2135	251	2	.	.	PUNCT
eurjchem-2135	252	1	2014	2014	NUM
eurjchem-2135	252	2	,	,	PUNCT
eurjchem-2135	252	3	120	120	NUM
eurjchem-2135	252	4	,	,	PUNCT
eurjchem-2135	252	5	351–364	351–364	NUM
eurjchem-2135	252	6	.	.	PUNCT
eurjchem-2135	253	1	[	[	X
eurjchem-2135	253	2	26	26	NUM
eurjchem-2135	253	3	]	]	PUNCT
eurjchem-2135	253	4	.	.	PUNCT
eurjchem-2135	254	1	matin	matin	PROPN
eurjchem-2135	254	2	,	,	PUNCT
eurjchem-2135	254	3	m.	m.	NOUN
eurjchem-2135	254	4	m.	m.	NOUN
eurjchem-2135	254	5	;	;	PUNCT
eurjchem-2135	254	6	hasan	hasan	PROPN
eurjchem-2135	254	7	,	,	PUNCT
eurjchem-2135	254	8	m.	m.	NOUN
eurjchem-2135	254	9	s.	s.	PROPN
eurjchem-2135	254	10	;	;	PUNCT
eurjchem-2135	254	11	uzzaman	uzzaman	NOUN
eurjchem-2135	254	12	,	,	PUNCT
eurjchem-2135	254	13	m.	m.	NOUN
eurjchem-2135	254	14	;	;	PUNCT
eurjchem-2135	254	15	bhuiyan	bhuiyan	NOUN
eurjchem-2135	254	16	,	,	PUNCT
eurjchem-2135	254	17	m.	m.	NOUN
eurjchem-2135	254	18	m.	m.	PROPN
eurjchem-2135	254	19	h.	h.	PROPN
eurjchem-2135	254	20	;	;	PUNCT
eurjchem-2135	254	21	kibria	kibria	PROPN
eurjchem-2135	254	22	,	,	PUNCT
eurjchem-2135	254	23	s.	s.	PROPN
eurjchem-2135	254	24	m.	m.	PROPN
eurjchem-2135	254	25	;	;	PUNCT
eurjchem-2135	254	26	hossain	hossain	PROPN
eurjchem-2135	254	27	,	,	PUNCT
eurjchem-2135	254	28	m.	m.	PROPN
eurjchem-2135	254	29	e.	e.	PROPN
eurjchem-2135	254	30	;	;	PUNCT
eurjchem-2135	254	31	roshid	roshid	VERB
eurjchem-2135	254	32	,	,	PUNCT
eurjchem-2135	254	33	m.	m.	NOUN
eurjchem-2135	254	34	h.	h.	PROPN
eurjchem-2135	254	35	o.	o.	PROPN
eurjchem-2135	254	36	j.	j.	PROPN
eurjchem-2135	254	37	mol	mol	PROPN
eurjchem-2135	254	38	.	.	PROPN
eurjchem-2135	254	39	struct	struct	NOUN
eurjchem-2135	254	40	.	.	PUNCT
eurjchem-2135	255	1	2020	2020	NUM
eurjchem-2135	255	2	,	,	PUNCT
eurjchem-2135	255	3	1222	1222	NUM
eurjchem-2135	255	4	(	(	PUNCT
eurjchem-2135	255	5	128821	128821	NUM
eurjchem-2135	255	6	)	)	PUNCT
eurjchem-2135	255	7	,	,	PUNCT
eurjchem-2135	255	8	128821	128821	NUM
eurjchem-2135	255	9	.	.	PUNCT
eurjchem-2135	256	1	[	[	X
eurjchem-2135	256	2	27	27	NUM
eurjchem-2135	256	3	]	]	PUNCT
eurjchem-2135	256	4	.	.	PUNCT
eurjchem-2135	257	1	boyd	boyd	PROPN
eurjchem-2135	257	2	,	,	PUNCT
eurjchem-2135	257	3	d.	d.	PROPN
eurjchem-2135	257	4	;	;	PUNCT
eurjchem-2135	257	5	lipkowitz	lipkowitz	PROPN
eurjchem-2135	257	6	,	,	PUNCT
eurjchem-2135	257	7	k.	k.	PROPN
eurjchem-2135	257	8	b.	b.	PROPN
eurjchem-2135	257	9	reviews	review	NOUN
eurjchem-2135	257	10	in	in	ADP
eurjchem-2135	257	11	computational	computational	ADJ
eurjchem-2135	257	12	chemistry	chemistry	NOUN
eurjchem-2135	257	13	.	.	PUNCT
eurjchem-2135	258	1	vol	vol	NOUN
eurjchem-2135	258	2	.	.	PROPN
eurjchem-2135	259	1	2	2	NUM
eurjchem-2135	259	2	,	,	PUNCT
eurjchem-2135	259	3	wiley	wiley	PROPN
eurjchem-2135	259	4	-	-	PUNCT
eurjchem-2135	259	5	vch	vch	PROPN
eurjchem-2135	259	6	,	,	PUNCT
eurjchem-2135	259	7	inc	inc	PROPN
eurjchem-2135	259	8	.	.	PROPN
eurjchem-2135	259	9	1991	1991	NUM
eurjchem-2135	259	10	,	,	PUNCT
eurjchem-2135	259	11	pp	pp	ADJ
eurjchem-2135	259	12	.	.	PUNCT
eurjchem-2135	260	1	273	273	NUM
eurjchem-2135	260	2	.	.	PUNCT
eurjchem-2135	261	1	isbn	isbn	ADJ
eurjchem-2135	261	2	1	1	NUM
eurjchem-2135	261	3	-	-	NUM
eurjchem-2135	261	4	56081	56081	NUM
eurjchem-2135	261	5	-	-	PUNCT
eurjchem-2135	261	6	515	515	NUM
eurjchem-2135	261	7	-	-	SYM
eurjchem-2135	261	8	9	9	NUM
eurjchem-2135	261	9	.	.	PUNCT
eurjchem-2135	262	1	[	[	X
eurjchem-2135	262	2	28	28	NUM
eurjchem-2135	262	3	]	]	PUNCT
eurjchem-2135	262	4	.	.	PUNCT
eurjchem-2135	263	1	the	the	DET
eurjchem-2135	263	2	practice	practice	NOUN
eurjchem-2135	263	3	of	of	ADP
eurjchem-2135	263	4	medicinal	medicinal	ADJ
eurjchem-2135	263	5	chemistry	chemistry	NOUN
eurjchem-2135	263	6	,	,	PUNCT
eurjchem-2135	263	7	4th	4th	ADJ
eurjchem-2135	263	8	ed	ed	NOUN
eurjchem-2135	263	9	.	.	PUNCT
eurjchem-2135	263	10	;	;	PUNCT
eurjchem-2135	263	11	wermuth	wermuth	PROPN
eurjchem-2135	263	12	,	,	PUNCT
eurjchem-2135	263	13	c.	c.	PROPN
eurjchem-2135	263	14	g.	g.	PROPN
eurjchem-2135	263	15	,	,	PUNCT
eurjchem-2135	263	16	aldous	aldous	PROPN
eurjchem-2135	263	17	,	,	PUNCT
eurjchem-2135	263	18	d.	d.	PROPN
eurjchem-2135	263	19	,	,	PUNCT
eurjchem-2135	263	20	raboisson	raboisson	NOUN
eurjchem-2135	263	21	,	,	PUNCT
eurjchem-2135	263	22	p.	p.	NOUN
eurjchem-2135	263	23	,	,	PUNCT
eurjchem-2135	263	24	rognan	rognan	PROPN
eurjchem-2135	263	25	,	,	PUNCT
eurjchem-2135	263	26	d.	d.	PROPN
eurjchem-2135	263	27	,	,	PUNCT
eurjchem-2135	263	28	eds	eds	PROPN
eurjchem-2135	263	29	.	.	PUNCT
eurjchem-2135	263	30	;	;	PUNCT
eurjchem-2135	263	31	academic	academic	ADJ
eurjchem-2135	263	32	press	press	NOUN
eurjchem-2135	263	33	:	:	PUNCT
eurjchem-2135	263	34	san	san	PROPN
eurjchem-2135	263	35	diego	diego	PROPN
eurjchem-2135	263	36	,	,	PUNCT
eurjchem-2135	263	37	ca	ca	NOUN
eurjchem-2135	263	38	,	,	PUNCT
eurjchem-2135	263	39	2015	2015	NUM
eurjchem-2135	263	40	.	.	PUNCT
eurjchem-2135	264	1	[	[	X
eurjchem-2135	264	2	29	29	NUM
eurjchem-2135	264	3	]	]	PUNCT
eurjchem-2135	264	4	.	.	PUNCT
eurjchem-2135	265	1	bissantz	bissantz	PROPN
eurjchem-2135	265	2	,	,	PUNCT
eurjchem-2135	265	3	c.	c.	PROPN
eurjchem-2135	265	4	;	;	PUNCT
eurjchem-2135	265	5	kuhn	kuhn	PROPN
eurjchem-2135	265	6	,	,	PUNCT
eurjchem-2135	265	7	b.	b.	PROPN
eurjchem-2135	265	8	;	;	PUNCT
eurjchem-2135	265	9	stahl	stahl	PROPN
eurjchem-2135	265	10	,	,	PUNCT
eurjchem-2135	265	11	m.	m.	PROPN
eurjchem-2135	265	12	j.	j.	PROPN
eurjchem-2135	265	13	med	med	PROPN
eurjchem-2135	265	14	.	.	PROPN
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eurjchem-2135	265	16	.	.	PUNCT
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eurjchem-2135	266	2	,	,	PUNCT
eurjchem-2135	266	3	53	53	NUM
eurjchem-2135	266	4	(	(	PUNCT
eurjchem-2135	266	5	14	14	NUM
eurjchem-2135	266	6	)	)	PUNCT
eurjchem-2135	266	7	,	,	PUNCT
eurjchem-2135	266	8	5061	5061	NUM
eurjchem-2135	266	9	–	–	PUNCT
eurjchem-2135	266	10	5084	5084	NUM
eurjchem-2135	266	11	.	.	PUNCT
eurjchem-2135	267	1	[	[	X
eurjchem-2135	267	2	30	30	NUM
eurjchem-2135	267	3	]	]	PUNCT
eurjchem-2135	267	4	.	.	PUNCT
eurjchem-2135	267	5	hunter	hunter	NOUN
eurjchem-2135	267	6	,	,	PUNCT
eurjchem-2135	267	7	c.	c.	PROPN
eurjchem-2135	267	8	a.	a.	PROPN
eurjchem-2135	267	9	angew	angew	PROPN
eurjchem-2135	267	10	.	.	PUNCT
eurjchem-2135	268	1	chem	chem	PROPN
eurjchem-2135	268	2	.	.	PUNCT
eurjchem-2135	269	1	int	int	NOUN
eurjchem-2135	269	2	.	.	PUNCT
eurjchem-2135	270	1	ed	ed	PROPN
eurjchem-2135	270	2	engl	engl	PROPN
eurjchem-2135	270	3	.	.	PUNCT
eurjchem-2135	271	1	2004	2004	NUM
eurjchem-2135	271	2	,	,	PUNCT
eurjchem-2135	271	3	43	43	NUM
eurjchem-2135	271	4	(	(	PUNCT
eurjchem-2135	271	5	40	40	NUM
eurjchem-2135	271	6	)	)	PUNCT
eurjchem-2135	271	7	,	,	PUNCT
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eurjchem-2135	271	9	.	.	PUNCT
eurjchem-2135	272	1	[	[	X
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eurjchem-2135	272	3	]	]	SYM
eurjchem-2135	272	4	.	.	PUNCT
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eurjchem-2135	273	2	,	,	PUNCT
eurjchem-2135	273	3	m.	m.	NOUN
eurjchem-2135	273	4	l.	l.	PROPN
eurjchem-2135	273	5	drug	drug	PROPN
eurjchem-2135	273	6	target	target	NOUN
eurjchem-2135	273	7	insights	insight	NOUN
eurjchem-2135	273	8	2013	2013	NUM
eurjchem-2135	273	9	,	,	PUNCT
eurjchem-2135	273	10	7	7	NUM
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eurjchem-2135	273	13	,	,	PUNCT
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eurjchem-2135	274	1	[	[	X
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eurjchem-2135	274	3	]	]	PUNCT
eurjchem-2135	274	4	.	.	PUNCT
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eurjchem-2135	275	2	,	,	PUNCT
eurjchem-2135	275	3	m.	m.	PROPN
eurjchem-2135	275	4	c.	c.	PROPN
eurjchem-2135	275	5	;	;	PUNCT
eurjchem-2135	275	6	tristani	tristani	PROPN
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eurjchem-2135	275	9	,	,	PUNCT
eurjchem-2135	275	10	m.	m.	NOUN
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eurjchem-2135	275	13	,	,	PUNCT
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eurjchem-2135	275	17	)	)	PUNCT
eurjchem-2135	275	18	,	,	PUNCT
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eurjchem-2135	275	20	–	–	PUNCT
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eurjchem-2135	275	22	.	.	PUNCT
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eurjchem-2135	277	12	n.	n.	PROPN
eurjchem-2135	277	13	sn	sn	PROPN
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eurjchem-2135	277	15	.	.	PUNCT
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eurjchem-2135	278	6	(	(	PUNCT
eurjchem-2135	278	7	5	5	NUM
eurjchem-2135	278	8	)	)	PUNCT
eurjchem-2135	278	9	,	,	PUNCT
eurjchem-2135	278	10	880	880	NUM
eurjchem-2135	278	11	.	.	PUNCT
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eurjchem-2135	278	14	©	©	PROPN
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eurjchem-2135	278	17	authors	author	NOUN
eurjchem-2135	278	18	.	.	PUNCT
eurjchem-2135	279	1	this	this	DET
eurjchem-2135	279	2	work	work	NOUN
eurjchem-2135	279	3	is	be	AUX
eurjchem-2135	279	4	published	publish	VERB
eurjchem-2135	279	5	and	and	CCONJ
eurjchem-2135	279	6	licensed	license	VERB
eurjchem-2135	279	7	by	by	ADP
eurjchem-2135	279	8	atlanta	atlanta	PROPN
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eurjchem-2135	279	10	house	house	PROPN
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eurjchem-2135	279	12	,	,	PUNCT
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eurjchem-2135	279	14	,	,	PUNCT
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eurjchem-2135	279	16	,	,	PUNCT
eurjchem-2135	279	17	usa	usa	PROPN
eurjchem-2135	279	18	.	.	PUNCT
eurjchem-2135	280	1	the	the	DET
eurjchem-2135	280	2	full	full	ADJ
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eurjchem-2135	280	4	of	of	ADP
eurjchem-2135	280	5	this	this	DET
eurjchem-2135	280	6	license	license	NOUN
eurjchem-2135	280	7	are	be	AUX
eurjchem-2135	280	8	available	available	ADJ
eurjchem-2135	280	9	at	at	ADP
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eurjchem-2135	280	11	and	and	CCONJ
eurjchem-2135	280	12	incorporate	incorporate	VERB
eurjchem-2135	280	13	the	the	DET
eurjchem-2135	280	14	creative	creative	ADJ
eurjchem-2135	280	15	commons	common	NOUN
eurjchem-2135	280	16	attribution	attribution	NOUN
eurjchem-2135	280	17	-	-	PUNCT
eurjchem-2135	280	18	non	non	ADJ
eurjchem-2135	280	19	commercial	commercial	NOUN
eurjchem-2135	280	20	(	(	PUNCT
eurjchem-2135	280	21	cc	cc	NOUN
eurjchem-2135	280	22	by	by	ADP
eurjchem-2135	280	23	nc	nc	PROPN
eurjchem-2135	280	24	)	)	PUNCT
eurjchem-2135	280	25	(	(	PUNCT
eurjchem-2135	280	26	international	international	ADJ
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eurjchem-2135	280	31	(	(	PUNCT
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eurjchem-2135	280	33	)	)	PUNCT
eurjchem-2135	280	34	.	.	PUNCT
eurjchem-2135	281	1	by	by	ADP
eurjchem-2135	281	2	accessing	access	VERB
eurjchem-2135	281	3	the	the	DET
eurjchem-2135	281	4	work	work	NOUN
eurjchem-2135	281	5	,	,	PUNCT
eurjchem-2135	281	6	you	you	PRON
eurjchem-2135	281	7	hereby	hereby	ADV
eurjchem-2135	281	8	accept	accept	VERB
eurjchem-2135	281	9	the	the	DET
eurjchem-2135	281	10	terms	term	NOUN
eurjchem-2135	281	11	.	.	PUNCT
eurjchem-2135	282	1	this	this	PRON
eurjchem-2135	282	2	is	be	AUX
eurjchem-2135	282	3	an	an	DET
eurjchem-2135	282	4	open	open	ADJ
eurjchem-2135	282	5	access	access	NOUN
eurjchem-2135	282	6	article	article	NOUN
eurjchem-2135	282	7	distributed	distribute	VERB
eurjchem-2135	282	8	under	under	ADP
eurjchem-2135	282	9	the	the	DET
eurjchem-2135	282	10	terms	term	NOUN
eurjchem-2135	282	11	and	and	CCONJ
eurjchem-2135	282	12	conditions	condition	NOUN
eurjchem-2135	282	13	of	of	ADP
eurjchem-2135	282	14	the	the	DET
eurjchem-2135	282	15	cc	cc	PROPN
eurjchem-2135	282	16	by	by	ADP
eurjchem-2135	282	17	nc	nc	PROPN
eurjchem-2135	282	18	license	license	PROPN
eurjchem-2135	282	19	,	,	PUNCT
eurjchem-2135	282	20	which	which	PRON
eurjchem-2135	282	21	permits	permit	VERB
eurjchem-2135	282	22	unrestricted	unrestricted	ADJ
eurjchem-2135	282	23	non	non	ADJ
eurjchem-2135	282	24	-	-	ADJ
eurjchem-2135	282	25	commercial	commercial	ADJ
eurjchem-2135	282	26	use	use	NOUN
eurjchem-2135	282	27	,	,	PUNCT
eurjchem-2135	282	28	distribution	distribution	NOUN
eurjchem-2135	282	29	,	,	PUNCT
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eurjchem-2135	282	31	reproduction	reproduction	NOUN
eurjchem-2135	282	32	in	in	ADP
eurjchem-2135	282	33	any	any	DET
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eurjchem-2135	282	35	,	,	PUNCT
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eurjchem-2135	282	39	work	work	NOUN
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eurjchem-2135	282	41	properly	properly	ADV
eurjchem-2135	282	42	cited	cite	VERB
eurjchem-2135	282	43	without	without	ADP
eurjchem-2135	282	44	any	any	DET
eurjchem-2135	282	45	further	further	ADJ
eurjchem-2135	282	46	permission	permission	NOUN
eurjchem-2135	282	47	from	from	ADP
eurjchem-2135	282	48	atlanta	atlanta	PROPN
eurjchem-2135	282	49	publishing	publishing	PROPN
eurjchem-2135	282	50	house	house	PROPN
eurjchem-2135	282	51	llc	llc	PROPN
eurjchem-2135	282	52	(	(	PUNCT
eurjchem-2135	282	53	european	european	PROPN
eurjchem-2135	282	54	journal	journal	PROPN
eurjchem-2135	282	55	of	of	ADP
eurjchem-2135	282	56	chemistry	chemistry	NOUN
eurjchem-2135	282	57	)	)	PUNCT
eurjchem-2135	282	58	.	.	PUNCT
eurjchem-2135	283	1	no	no	DET
eurjchem-2135	283	2	use	use	NOUN
eurjchem-2135	283	3	,	,	PUNCT
eurjchem-2135	283	4	distribution	distribution	NOUN
eurjchem-2135	283	5	or	or	CCONJ
eurjchem-2135	283	6	reproduction	reproduction	NOUN
eurjchem-2135	283	7	is	be	AUX
eurjchem-2135	283	8	permitted	permit	VERB
eurjchem-2135	283	9	which	which	PRON
eurjchem-2135	283	10	does	do	AUX
eurjchem-2135	283	11	not	not	PART
eurjchem-2135	283	12	comply	comply	VERB
eurjchem-2135	283	13	with	with	ADP
eurjchem-2135	283	14	these	these	DET
eurjchem-2135	283	15	terms	term	NOUN
eurjchem-2135	283	16	.	.	PUNCT
eurjchem-2135	284	1	permissions	permission	NOUN
eurjchem-2135	284	2	for	for	ADP
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eurjchem-2135	284	4	use	use	NOUN
eurjchem-2135	284	5	of	of	ADP
eurjchem-2135	284	6	this	this	DET
eurjchem-2135	284	7	work	work	NOUN
eurjchem-2135	284	8	beyond	beyond	ADP
eurjchem-2135	284	9	the	the	DET
eurjchem-2135	284	10	scope	scope	NOUN
eurjchem-2135	284	11	of	of	ADP
eurjchem-2135	284	12	the	the	DET
eurjchem-2135	284	13	license	license	NOUN
eurjchem-2135	284	14	(	(	PUNCT
eurjchem-2135	284	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2135	284	16	)	)	PUNCT
eurjchem-2135	284	17	are	be	AUX
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eurjchem-2135	284	21	publishing	publishing	PROPN
eurjchem-2135	284	22	house	house	PROPN
eurjchem-2135	284	23	llc	llc	PROPN
eurjchem-2135	284	24	(	(	PUNCT
eurjchem-2135	284	25	european	european	PROPN
eurjchem-2135	284	26	journal	journal	PROPN
eurjchem-2135	284	27	of	of	ADP
eurjchem-2135	284	28	chemistry	chemistry	NOUN
eurjchem-2135	284	29	)	)	PUNCT
eurjchem-2135	284	30	.	.	PUNCT
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eurjchem-2135	285	4	https://pymol.org/	https://pymol.org/	PROPN
eurjchem-2135	285	5	https://www.keysight.com/	https://www.keysight.com/	NOUN
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eurjchem-2135	285	10	1	1	NUM
eurjchem-2135	285	11	.	.	PUNCT
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eurjchem-2135	286	2	2	2	NUM
eurjchem-2135	286	3	.	.	PUNCT
eurjchem-2135	286	4	computational	computational	ADJ
eurjchem-2135	286	5	methods	method	NOUN
eurjchem-2135	286	6	2.1	2.1	NUM
eurjchem-2135	286	7	.	.	PUNCT
eurjchem-2135	287	1	geometry	geometry	NOUN
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eurjchem-2135	287	4	.	.	PUNCT
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eurjchem-2135	290	5	.	.	PUNCT
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eurjchem-2135	293	1	structural	structural	ADJ
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eurjchem-2135	293	3	relationship	relationship	NOUN
eurjchem-2135	293	4	on	on	ADP
eurjchem-2135	293	5	binding	bind	VERB
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eurjchem-2135	293	8	.	.	PUNCT
eurjchem-2135	294	1	admet	admet	PROPN
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eurjchem-2135	295	9	:	:	PUNCT
eurjchem-2135	295	10	printfield12	printfield12	PROPN
eurjchem-2135	295	11	:	:	PUNCT
eurjchem-2135	295	12	printfield13	printfield13	VERB
eurjchem-2135	295	13	:	:	PUNCT
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eurjchem-2135	295	15	:	:	PUNCT
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eurjchem-2135	295	17	:	:	PUNCT
eurjchem-2135	295	18	printfield16	printfield16	ADJ
eurjchem-2135	295	19	:	:	PUNCT
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eurjchem-2135	295	21	:	:	PUNCT
eurjchem-2135	295	22	printfield21	printfield21	ADJ
eurjchem-2135	295	23	:	:	PUNCT
eurjchem-2135	295	24	printfield22	printfield22	NOUN
eurjchem-2135	295	25	:	:	PUNCT
eurjchem-2135	295	26	printfield23	printfield23	NOUN
eurjchem-2135	295	27	:	:	PUNCT
eurjchem-2135	295	28	printfield24	printfield24	NOUN
eurjchem-2135	295	29	:	:	PUNCT
eurjchem-2135	295	30	printfield25	printfield25	NOUN
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eurjchem-2135	295	33	:	:	PUNCT