Compound_List_(244)_(Protected).xlsx

XLSX spreadsheet 25 KB Posted Sep 11, 2018

Attached to: Chemical Library of 244 specific compounds Federal contract opportunity
Solicitation number: NIHDA201800458
Issued by: Department of Health and Human Services National Institutes of Health

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List of 244 specific compounds

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Compound_list_(Protected).xls	XLS spreadsheet	Aug 28, 2018
CSS_Attachment_FAR_52.212-3_(Nov_2017).pdf	PDF	Aug 28, 2018
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Sheet1

Index	Drug Names	SMILES
1	GPI-1046	CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 \|r\|
2	Motapizone (Rec INN) NAT-5239	CC1CC(=O)NN=C1c1cc(cs1)-n1ccnc1 \|c:6\|
3	Isofloxythepin	CC(C)c1ccc2Sc3cc(F)ccc3CC(N3CCN(CCO)CC3)c2c1
4	2315698 CPHPC GSK-2315698 Ro-63-8695 Miridesap (Prop INN)	OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(O)=O
5	Ocaperidone (BAN; USAN; Rec INN) R-79598	Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
6	SSR-504734	Cl.FC(F)(F)c1cccc(C(=O)N[C@H]([C@@H]2CCCCN2)c2ccccc2)c1Cl \|r\|
7	5-Octanoylsalicylic acid beta-Lipohydroxy acid Effaclar k LHA	CCCCCCCC(=O)c1ccc(O)c(c1)C(O)=O
8	GSK-1482160	CN1[C@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F
9	MDL-27531	Cn1c(nnc1S(C)(=O)=O)-c1ccccc1
10	DF-1012	CN1C2CCC1CC(C2)NC(=O)c1c[nH]c2ncccc12 \|THB:0:1:3.4:6.7.8\|
11	CH-170 Chinoin-170	Cc1nc(Cn2cnc3n(C)c(=O)n(C)c(=O)c23)no1
12	IO-21	c1cnn(c1)-c1cc(ncn1)-n1cccn1
13	Funapide (USAN; Rec INN) TV-45070 XEN-401-S XEN-402 XPF-002 A5595LHJ2L (UNII code)	FC(F)(F)c1ccc(CN2C(=O)[C@@]3(COc4cc5OCOc5cc34)c3ccccc23)o1
14	Dalargin	OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=N)C(O)=O
15	A-429202 ABT-202	Cl.Cl.NC1CCN(C1)c1cccnc1
16	AD-2646 AS-2646	OC(=O)C(O)=O.OC(=O)C(O)=O.CCN1CCN(CC1)c1cc(-c2ccccc2)c2ccccc2n1
17	DQ-2511 Ecabamide Ecabapide (Rec INN) Muralis	CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1
18	Bonaphthone	Brc1ccc2C(=O)C(=O)C=Cc2c1 \|c:9\|
19	348U87 BW-348U87	C\C(=N/NC(=S)NNC(=S)Nc1ccccc1Cl)c1ccccn1
20	Amitivir sodium (Rec INNM) LY-253963	N#CNc1nncs1
21	F-2692	Cl.Cc1cc(=O)c(N)nn1-c1cccc(c1)C(F)(F)F
22	CGS-8216	O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
23	(+)-N-Desmethylzopiclone (S)-DMZ SEP-174559	Cl.Clc1ccc(nc1)N1C(OC(=O)N2CCNCC2)c2nccnc2C1=O
24	Bromantan Bromantane Ladasten	Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1
25	GSK-356278	CCn1ncc2c(NC3CCOCC3)c(cnc12)-c1nnc(Cc2sc(C)nc2C)o1
26	Ampion Aspartyl-alanyl-diketopiperazine DA-DKP DMI-9523	C[C@@H]1NC(=O)[C@H](CC(O)=O)NC1=O \|r\|
27	MDT-637 VP-14637	Cc1nnnn1\N=C\c1ccc(O)c(c1)C(c1ccc(O)cc1)c1cc(\C=N/n2nnnc2C)ccc1O
28	JNJ-39758979	CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1
29	VBP-15 8XP29XMB43 (UNII code) Vamorolone (Prop INN) Verolone	C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)[C@@]1(O)C(=O)CO \|r,c:11,17,t:7\|
30	K-10191 K-604	CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1
31	2894512 GSK-2894512 WB-1001 WBI-1001 84HW7D0V04 (UNII code) Benvitimod Tapinarof (Prop INN; USAN)	CC(C)c1c(O)cc(C=Cc2ccccc2)cc1O \|w:8.7\|
32	D-2083 DesOwen Desilux Desonate Tridesilon Verdeso Desonide (Prop INN; BAN; USAN)	CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO \|r,c:14,t:10\|
33	Myristyl nicotinate Tetradecyl nicotinate Nia-114	CCCCCCCCCCCCCCOC(=O)c1cccnc1
34	LEQ-506 NVP-LEQ506	C[C@@H]1CN(CCN1c1cnc(cn1)C(C)(C)O)c1nnc(Cc2ccccc2)c(C)c1C
35	Dapansutrile (Rec INN) OLT-1177 2Z03364G96 (UNII code)	CS(=O)(=O)CCC#N
36	Troventol	[I-].CCC(CO)(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1
37	Delphinidin-3-sambubioside	[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O \|r\|
38	Cyanidin 3-sambubioside Cyanidin 3-xyloglucoside Sambicyanin	[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O \|r\|
39	COTI-2	S=C(N\N=C1\CCCc2cccnc12)N1CCN(CC1)c1ccccn1
40	BEA-2180 BEA-2180 BR	CN1[C@H]2C[C@@H](C[C@@H]1C=C2)OC(=O)C(O)(c1cccs1)c1cccs1 \|c:8,TLB:0:1:5.4.3:7.8\|
41		OC(=O)C1CCC(CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1
42	RV-1729	COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
43	Brovincamine fumarate (Rec INNM) Sabromin	CCC12CCCN3CCc4c(C13)n(c1cc(Br)ccc41)C(O)(C2)C(=O)OC
44	7-MEOTA 7-Methoxytacrine	COc1ccc2nc3CCCCc3c(N)c2c1
45	CI-844	O(c1ccccc1)c1cccnc1
46	L-MTx LMT-X Leuco-MTx TRX-0237 LMTX Leuco methylthioninium salt	CS([O-])(=O)=O.CS([O-])(=O)=O.C[NH+](C)c1ccc2Nc3ccc(cc3Sc2c1)[NH+](C)C
47	E-7046 ER-886046-00	C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)(F)F)C(F)F)c1ccc(cc1)C(O)=O
48	Dy-EOB-DTPA Gadoxetic acid	CCOc1ccc(C[C@@H](CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)cc1 \|r\|
49	CTI-01 Ethyl pyruvate	CCOC(=O)C(C)=O
50	P414 SNAC E414 (free acid) Salcaprozate sodium (USAN) Salcaprozic acid sodium salt (Rec INNM; USAN)	[Na+].Oc1ccccc1C(=O)NCCCCCCCC([O-])=O
51	2,3-cis/exo-Camphanediol	CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2O \|r\|
52	TU-2100	CCOC(=O)c1ccccc1OC(=O)CCCCCCCC(=O)Oc1ccccc1C(=O)OCC
53	Corebeta Onoact Rapibloc LDLL-600 ONO-LDL-50 Ono-1101 AOP-200704 Landiolol hydrochloride (Prop INNM)	Cl.CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1
54	18F-FDG FDG [18F]FDG [F-18]-FDG Flucis Fludeoxyglucose F18 Fludeoxyglucose (18F) (Prop INN) [18F]Fludeoxyglucose	OC[C@H]1OC(O)[C@@H](F)[C@@H](O)[C@@H]1O \|r\|
55	[123I]-BZA [123I]-IDAB	CCN(CC)CCNC(=O)c1ccc(I)cc1
56	PZG Pyrazinoylguanidine	Cl.Cl.NC(=N)NC(=O)c1cnccn1
57	L-888839 MK-0524 Laropiprant (Prop INN; USAN)	[Na+].CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC([O-])=O)c3n(Cc3ccc(Cl)cc3)c12 \|r\|
58	CX-8998 MK-8998	CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 \|r\|
59	Picartamide RP-40749	CNC(=S)C1(CCCS1)c1ccccn1
60	Hexopal Inositol hexanicotinate	O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1
61	Bay-y-5959	CC(C)OC(=O)C1=C(N)NC(C)=C(C#N)C1c1cccc2ncc(cc12)-c1ccccc1 \|c:6,t:11\|
62	DPN-205-734	Cc1nc(O)c(cc1-c1ccc(cc1)C#N)C#N
63	Org-30029	Cl.COc1cc2cc(sc2cc1OC)C(\N)=N/O
64	Isobutyramide VX-366	CC(C)C(N)=O
65	Cytaphat Cytisin amidophosphate O,O-Dimethyl-N-cytinizylphosphate	COP(=O)(OC)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 \|r\|
66	Hoe-077 Lufironil (USAN; Rec INN)	COCCNC(=O)c1ccnc(c1)C(=O)NCCOC
67	PBT-1033 PBT-2	CN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
68	Glycerol triheptanoate Triheptanoin IND-106011 UX-007	CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC
69	Cabaletta Thealoz T-2762 Trehalose	O.O.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
70	VPP	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O \|r\|
71	Val-Tyr sardine peptidase	CC(C)C(N)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
72	Barnidipine hydrochloride (Rec INNM) Mepirodipine hydrochloride Cyress Hypoca Vasexten EU-730 YM-09730-5 YM-730	Cl.COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 \|c:4,9\|
73	APAU AR-9281	CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
74	D-7042 D-7193 (as di-L-lysine salt) DiNac H-327/86	CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(O)=O)C(O)=O
75	Dipeptamin Dipeptiven Glutamine dipeptide	C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O \|r\|
76	DBFA	OC(=O)Cc1ccc2oc3ccccc3c2c1
77	ABT-494 7KCW9IQM02 (UNII code) Upadacitinib tartrate (Prop INN)	CC[C@H]1CN(C[C@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F
78	Tributyrin	CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
79	NS-1 OCO-1112	CC(C)c1ccc(cc1)C(=O)NCCOc1ccc(cc1)C(O)=O
80		OCc1cncc(F)c1
81	LCB-2183	CCOCc1nc2nccnc2c(=O)[nH]1
82	Eptaplatin (Rec INN) Heptaplatin NSC-644591 NSC-D-644591 SKI-2053R Sunpla	CC(C)C1O[C@H](CN)[C@@H](CN)O1 \|r\|
83	2110183 ASB-183 GSK-2110183 GSK-2110183C GSK-21110183 Afuresertib (USAN; Rec INN)	Cn1ncc(Cl)c1-c1cc(sc1Cl)C(=O)NC(CN)Cc1cccc(F)c1
84	DITPA	OC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
85	MIV-150	CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(cn2)C#N)c1O
86	Muconorm Reolase Telmesteine (Rec INN) YS-795 (as undefined isomer, lysine salt)	CCOC(=O)N1CSCC1C(O)=O
87	IQB-782	NC(=N)NC(CS)C(O)=O
88	Kevetrin Thioureidobutyronitrile hydrochloride	Cl.NC(=N)SCCCC#N
89	G-4544 NSC-15200 Gallium nitrate (USAN) Ganite	O.[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O
90	VSN-16 VSN-16R	C[C@H](CO)NC(=O)c1cccc(C=CCCCC(=O)N(C)C)c1 \|r,w:12.11\|
91	McN-3113 Xilobam (USAN; Rec INN)	CN1CCCC1=NC(=O)Nc1c(C)cccc1C \|w:6.7\|
92	7-Methylxanthine	Cn1cnc2[nH]c(=O)[nH]c(=O)c12
93	A-57219 Sch-40054 HCl Nemazoline hydrochloride (Rec INNM; USAN)	Nc1c(Cl)cc(CC2=NCCN2)cc1Cl \|t:7\|
94	F-0930-RS Lerisetron (Rec INN)	C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1
95	KAE-393 YM-114	O=C(C1CCc2[nH]cnc2C1)N1CCc2ccccc12
96	Boronophenylalanine L-BPA SPM-011	N[C@@H](Cc1ccc(cc1)B(O)O)C(O)=O \|r\|
97	Hydroxypioglitazone MIN-102 U-91322	Cl.CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
98		OC(=O)[C@@H]1C[C@@H](Cc2cccc(F)c2)CN1 \|r\|
99		Cl.OC(=O)C1CC(CN1)Oc1cccc(Cl)c1
100	CGP-29030A	COc1cc(OC)cc(c1)C(=O)N1CCN(CCc2ccc(Cl)cc2)CC1
101	SCP-1	Oc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1
102	ARL-12495 FPL-12495 AR-R12495AA (monoHCl) ARL-12495AA (monoHCl)	CC(N)(Cc1ccccc1)c1ccccc1
103	Capsavanil Davasaicin (Rec INN) KR-25018 DA-5018 (monohydrochloride)	COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN
104	Amtolmetin guacil (Rec INN) Eufans MED-15 ST-679	COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C
105	Ensartinib dihydrochloride (Prop INNM) X-396	C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1C[C@H](C)N[C@H](C)C1)c1c(Cl)ccc(F)c1Cl
106	CK-101 RX-518	OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1F
107	NSC-68075 Thaliblastine Thalicarpine	COc1cc(CC2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3CC4N(C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)cc1OC
108	NSC-311056 TNO-6 Spiroplatin (USAN; BAN; Rec INN)	NCC1(CN)CCCCC1
109	Lebanus Cedra	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C \|r\|
110	Cp2TiCl2 MKT-4 Titanocene dichloride	Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1 \|^1:3,4,5,6,7,8,9,10,11,12\|
111	Elemene beta-Elemene SDP-111	CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C \|r\|
112	AT-2153 MST-02 Probimane	CC(CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1
113	DM-COOK CB-10-277 (free acid)	CN(C)\N=N\c1ccc(cc1)C(O)=O
114	Dimethynur	CNC(=O)N(C)N=O
115	NMF	CNC=O
116	Clomesone NSC-338947	CS(=O)(=O)CS(=O)(=O)OCCCl
117	SM-108	NC(=O)c1[nH]cnc1O
118	589C 589C80 BW-A589C Tucaresol (BAN; Rec INN)	OC(=O)c1ccc(COc2cccc(O)c2C=O)cc1
119	K-MAP	OCC1OC(Nc2ccc(cc2)C(O)=O)C(O)C(O)C1O
120	K-247	OCC1OC(Nc2ccc(cc2)C(O)=O)C(O)C1O
121	CMNa Sodium glycididazole	Cc1ncc(n1CCOC(=O)CN(CC(O)=O)CC(=O)OCCn1c(C)ncc1[N+]([O-])=O)[N+]([O-])=O
122	Delphinidin Delphinidin chloride Delphinidol Ephdine IdB-1056	[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1
123	RS-04 RS-0481 RS-481	CC(NC(=O)C1CSCN1C(=O)c1ccccc1)c1ccccc1
124	2-HB 2-HOBA Salicylamine	Cl.NCc1ccccc1O
125	Neo-Gilurytmal Prajmalium bitartrate	[Br-].CCC[N+]12C3CC45C(O)C3C(CC1C4N(C)c1ccccc51)C(CC)C2O \|TLB:14:13:5.10:26.23,8:10:26.23:13.12,6:5:26.23:13.12,23:11:4:7.14.6,27:26:5.10:13.12,9:8:4.14.13:6,THB:15:14:4:10.11.12,8:7:4:10.11.12,8:10:4:7.14.6,11:10:4.14.13:6,22:7:4:10.11.12,3:4:7.14.6:10.11.12,24:23:5.10:13.12\|
126	3-BrPA NSC-11731 NSC-62343 PSL-001 3-Bromopyruvate 3-Bromopyruvic acid	OC(=O)C(=O)CBr
127	BFBTS BFTS FLP Fluorapacin	Fc1ccc(CSSSCc2ccc(F)cc2)cc1
128	MGBG Methyl-GAG PA-001 Win-10708-2 NSC-30609 (acetate) NSC-32946 (diHCl) Mitoguazone (DCF; DCIT; Rec INN) Zyrkamine	CC(C=NNC(N)=N)=NNC(N)=N \|w:8.8,2.1\|
129	BG KBG	OC1O[C@@H]2COC(O[C@H]2[C@H](O)[C@H]1O)c1ccccc1 \|r\|
130	Depogen Drotaverine acephyllinate	CCOc1ccc(\C=C2\NCCc3cc(OCC)c(OCC)cc23)cc1OCC
131	Glutaurine (Rec INN) Litoralon	N[C@@H](CCC(=O)NCCS(O)(=O)=O)C(O)=O \|r\|
132	AOX APC-100 CPC-100 Chromane C1 NSC-226236 PMCol	Cc1c(C)c2OC(C)(C)CCc2c(C)c1O
133	Antineoplaston AS2-5 Phenylacetylglutamine Sodium	NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(O)=O \|r\|
134	Modrastane Modrefen Modrenal Trilostane (BAN; USAN; Rec INN) Win-25540	CC12CCC3C(CCC45OC4C(O)=C(CC35C)C#N)C1CCC2O \|c:13\|
135	DMAPT LC-1 NSC-734325 Dimethylaminoparthenolide	CN(C)C[C@@H]1[C@@H]2CC\C(C)=C/CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O \|c:9\|
136	Apoptone HE-3235	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
137	AEC Alpharen Fermagate (Prop INN)	[OH-].[OH-].[OH-].[Fe+3]
138	ANP-A10 Antineoplaston A10 Atengenal Cengenal	O=C(Cc1ccccc1)NC1CCC(=O)NC1=O
139	AC-410 AC-430	Br.Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
140	Kukoamine B mesylate	NCCCN(CCCCNCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1
141	4-Butylresorcinol Rucinol	CCCCc1ccc(O)cc1O
142	254-S NSC-375101D Aqupla Nedaplatin (Rec INN)	N.N.O=C1CO[Pt]O1
143	NSC-130181 SR-259075 SR-4233 Win-59075 Tirapazamine (USAN; Rec INN) Tirazone	Nc1n[n+]([O-])c2ccccc2[n+]1[O-]
144	AC-7739 AVE-8063 AVE-8063A CS-39.HCl RPR-258063A ST-3100	COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1N
145	HE-11 Nibentan	CCN(CC)CCCCC(NC(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
146	S-49076 (free base)	O=C1CSC(=O)N1Cc1ccc2NC(=O)\C(=C/c3cc(CN4CCOCC4)c[nH]3)c2c1
147	COH-29	Oc1ccc(cc1O)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(O)c(O)c1
148	ECyd SB-596168 TAS-106 Ethynylcytidine	Nc1ccn(C2OC(CO)C(O)(C#C)C2O)c(=O)n1
149	Ipazilide fumarate (Rec INNM; USAN) Win-54177-4	CCN(CC)CCCNC(=O)Cn1ncc(c1-c1ccccc1)-c1ccccc1
150	TS-011	O\N=C\Nc1ccc(N2CCOCC2)c(Cl)c1
151	MSF SNX-001 Methanesulfonyl fluoride	CS(F)(=O)=O
152	PF-5	CCCOCCn1c2cc(ncc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1
153	TAT WP-921	OC(=O)Cn1nnnc1-c1ccsc1
154	(-)-Stepholidine l-Stepholidine l-SPD	COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC \|r\|
155	Carisbamate (Prop INN; USAN) Comfyde JNJ-10234094 RWJ-333369 YKP-509	NC(=O)OCC(O)c1ccccc1Cl
156	Galodif Halodif meta-Chlorobenzhydryl urea	NC(=O)NC(c1ccccc1)c1cccc(Cl)c1
157	Etacizin Ethacizin NIK-244	CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN(CC)CC)c2c1
158	ALN-101 EML-676 IDD-000676-01 IDD-676 Lidorestat (USAN; Rec INN)	OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
159	B-GYKI-38233 GYKI-38233 TYB-3823 Restacorin	Cl.CN(C)C(=N)NNc1c(C)cccc1C
160	25-Hydroxycholecalciferol 25-Hydroxyvitamin D3 Calcidiol Calcifediol (Prop INN) 25-OH-D3 CTAP-101 Ro-8-8892 U-32070E Dedrogyl Rayaldee Rayaldy Replidea	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
161	PF-219061	CCCN1CCOC(C1)c1cccc(O)c1
162	Mesterolone (BAN; USAN; Rec INN) NSC-75054 SH-723 Pro-Viron	C[C@H]1CC(=O)C[C@@H]2CC[C@H]3C4CC[C@H](O)[C@@]4(C)CCC3[C@@]12C \|r\|
163	AMAZ-02 Euro lysineiricin A Urolithin A	Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21
164		NCC(=O)N[C@@H](CCC(N)=O)C(O)=O \|r\|
165	BH-6 Obidoxime Obidoxime chloride (USAN) Toksobidin Toxogonin	O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1
166	Isoflavone	O=c1c(coc2ccccc12)-c1ccccc1
167	F-351 Hydronidone	Cc1ccc(=O)n(c1)-c1ccc(O)cc1
168	BI-1467335 PXS-4728 PXS-4728A	Cl.CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1
169	Hypo STS Sodium thiosulfate	[Na+].[Na+].[O-]S([O-])(=O)=S
170	L-702958	CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)C3CCc4cc(ccc4C3)C#N)CC(=O)c2c1
171	ALT-711 Alagebrium chloride (USAN; Rec INN)	[Cl-].Cc1sc[n+](CC(=O)c2ccccc2)c1C
172	LL-3858 Sudoterb	Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc(-c2ccccc2)n1NC(=O)c1ccncc1
173	Perchlozone	NC(=S)N\N=C\c1ccncc1
174	Chromax Chromium picolinate	[Cr+3].[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1
175	LP-802034 LX-4211 SAR-439954 Sotagliflozin (USAN; Rec INN)	CCOc1ccc(Cc2cc(ccc2Cl)C2OC(SC)C(O)C(O)C2O)cc1
176	JTT-608	CC1CCC(CC1)C(=O)CCC(O)=O
177	Denagliptin tosilate (USAN; Rec INN) GW-823093C	CS(=O)(=O)n1cc2CN(Cc2n1)C1COC(C(N)C1)c1cc(F)ccc1F
178	Ecamsule Ecamsulum (Prop INN) Mexoryl SX	[Na+].[Na+].CC1(C)C2CCC1(CS([O-])(=O)=O)C(=O)\C2=C/c1ccc(\C=C2/C3CCC(CS([O-])(=O)=O)(C2=O)C3(C)C)cc1
179	NS-8	Cc1c([nH]c(N)c1C#N)-c1ccccc1F
180	Dabuzalgron hydrochloride (Rec INNM; USAN) R-1240 R-450 RO-1151240 Ro-115-1240	Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O \|t:5\|
181	AM-24 BOBEL-24 BOBEL-246 TIP	Oc1c(I)cc(I)cc1I
182	RX-71107 Tolmesoxide (BAN; Rec INN)	COc1cc(C)c(cc1OC)S(C)=O
183	BMOV VO(ma)2	O=[V++].Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-]
184	Arthrex Proquazone RU-43715	CC(C)n1c2cc(C)ccc2c(nc1=O)-c1ccccc1
185	RS-49014 Tazifylline hydrochloride (Rec INNM; USAN)	Cn1c2ncn(CC(O)CN3CCN(CCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O
186	11-Keto-beta-boswellic acid	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C \|r,c:10\|
187	4003/2	CCOC(=O)c1ccccc1OC(N)=O
188	CGS-27023	Cl.COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)C(C(C)C)C(=O)NO
189		Cl.COc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1
190		O=C1N(CCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
191		Cl.Cl.COc1cc(N)c(Cl)cc1C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
192	AICA orotate Orazamide orotate	OC(=O)c1c[nH]c(=O)[nH]c1=O
193		COc1cc(C=CC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1OC \|w:5.4\|
194		C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(C)=O \|r,c:11,t:7\|
195		Fc1ccc(cc1)C(CCCN1CCN(CCNc2ccccc2)CC1)c1ccc(F)cc1
196		CCC(C)(C)c1ccc(OCCCCCCN2CCN(CC2)c2ccc(C)c(Cl)c2)cc1
197	ACHN-975	OC(=O)C(F)(F)F.CC(C)(N)[C@H](NC(=O)c1ccc(cc1)C#CC#C[C@@H]1C[C@H]1CO)C(=O)NO
198		OC(=O)Cn1cc(I)c(=O)c(I)c1
199	C-751	CCOC(=O)c1cnc[nH]1
200	Azulen Azulenal Azulene SN Azunol Azupromin Garmastan Guaiazulenesulfonate sodium Sodium azulene sulfonate (JAN) Sodium gualenate (Rec INN)	[Na+].CC(C)c1ccc(C)c2c(cc(C)c2c1)S([O-])(=O)=O
201		CC1C[C@@]2(C)C(CCC3C4CCC(O)[C@@]4(C)CCC23)C\C1=N\N=C1/CC2CCC3C4CCC(O)[C@@]4(C)CCC3[C@@]2(C)CC1C \|r\|
202	FPI-1459 OP-0595 RG-6080 RO-7079901 832O37V7MZ (UNII code) Nacubactam (Prop INN; USAN)	NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O
203	Ciclolysal Lymecycline Vebicyclysal Tetralysal	CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O \|c:29,t:7\|
204	Cefcamate pivoxil hydrochloride Cefcapene pivoxil hydrochloride (Rec INNM) Flomox Flumax S-1108	O.Cl.CC\C=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)c1csc(N)n1 \|c:16\|
205	HMR-3647 RU-66647 Ketek Levviax Telithromycin (Prop INN; USAN)	CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC \|r\|
206	Plastomitin Visomitin SkQ1	[Br-].CC1=C(C)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=CC1=O \|c:1,38\|
207	Can-C N-Acetylcarnosine	CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O \|r\|
208	EG-030 MRZ-99030	Cl.CC(C)(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(O)=O
209	Napamezole (Prop INN)	C(C1=NCCN1)C1=Cc2ccccc2CC1 \|t:1,7\|
210	Moxifetin hydrogen maleate VUFB-15468	CN(C)Cc1ccccc1Sc1cccc(O)c1
211	Org-9768	Cl.CC1(CN)Cc2ccccc2C1
212	Centpropazine	CCC(=O)c1ccc(OCC(O)CN2CCN(CC2)c2ccccc2)cc1
213	DU-29373 Flesinoxan hydrochloride (Rec INNM)	[Cl-].OCC1COc2c(O1)cccc2N1CC[NH+](CCNC(=O)c2ccc(F)cc2)CC1
214	Centpiperalone	Cl.Cl.O=c1[nH]c(nc2ccccc12)N1CCNCC1
215	Delphinidin-3-glucoside Myrtillin	[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
216	DL-HEPP HEPP	CCC(O)(CC(N)=O)c1ccccc1
217	W-2719	OCCCCSc1ccc(Cl)cc1
218	JNJ-26990990	NS(=O)(=O)NCc1csc2ccccc12
219	710674S Cloconazole hydrochloride Croconazole hydrochloride (Rec INNM) Pilzcin	Cl.Clc1cccc(COc2ccccc2C(=C)n2ccnc2)c1
220	AN-2718	OB1OCc2cc(Cl)ccc12
221	Riodoxol	Oc1c(I)cc(I)c(O)c1I
222	Pyrithione Zinc (Prop INN; BAN) Zinc pyrithione Zinc Omadine ZnP ZnPy	O1N2C=CC=CC2=[S][Zn]11ON2C=CC=CC2=[S]1 \|c:2,4,7,13,15,18\|
223	AL-6598	CC(C)OC(=O)COC\C=C/C[C@H]1[C@H](Cl)C[C@@H](O)[C@@H]1CC[C@@H](O)C1CCCCC1 \|r\|
224	Baogongteng A	CC(=O)O[C@@H]1C[C@@H]2N[C@H]1CC[C@H]2O \|r\|
225	BDD BFD DDB alpha-DDB Bifendate Biphenyldimethyldicarboxylate	COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)OC
226	Adaptavir D-Ala1-peptide T-NH2 DAPTA RAP-101	C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O
227	FK-962	CC(=O)N1CCC(CC1)NC(=O)c1ccc(F)cc1
228	Asunaprevir (Prop INN; USAN) BMS-650032 Sunvepra	COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
229	AzddMeCyd CS-92	Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)nc1N
230	2838232 GSK-2838232 GSK-8232	CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1 \|c:3\|
231	'572 1349572 GSK-1349572A S-349572 S/GSK-1349572 Dolutegravir sodium (Prop INNM; USAN) Tivicay	C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 \|r\|
232	NDD-094 SDZ-NDD-094	Cc1nccn1Cc1ccccn1
233	Didox NSC-324360	ONC(=O)c1ccc(O)c(O)c1
234	Dicarbamin Dicarbamine Glutaryl histamine Imidazolyl Ethanamide Pentandioic Acid IEPA Myelo-001 XC-55 Ingavirin	OC(=O)CCCC(=O)NCCc1cnc[nH]1
235	AQ-13	CCN(CC)CCCNc1ccnc2cc(Cl)ccc12
236	FCE-22250	CO[C@H]1\C=C\OC2(C)Oc3c(C2=O)c2c(O)c(\C=N\N=C\N4CCCCC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C \|r,c:34,t:3,36\|
237	ADX-N05 ARL-N05 JZP-110 R-228060 SKL-N05 YKP-10A Solriamfetol (Prop INN)	NC(COC(N)=O)Cc1ccccc1
238	(-)-Hydroxycitric acid Garcinia acid HCA	OC(C(O)=O)C(O)(CC(O)=O)C(O)=O
239	ADS-108297 C-108297 CORT-108297	CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F \|c:10\|
240	PRX-07034 PRX-07034-001	COc1cc(Cl)cc(C(C)Nc2cc(ccc2S(C)(=O)=O)N2CCNCC2)c1OC
241	Sodium tungstate	O[W](O)(=O)=O
242	KD-026 SLx-4090	COc1cccc(C(=O)Nc2ccc3CN(CCc3c2)C(=O)Oc2ccccc2)c1-c1ccc(cc1)C(F)(F)F
243	7-Keto 7-Keto DHEA 7-Keto dehydroepiandrosterone	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C(=O)C=C2C1 \|c:24\|
244	MP-513 Tenelia Tenglyn Teneligliptin hydrobromide hydrate (Prop INNM)	Br.Br.Br.Br.Br.Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 \|r\|

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