ATB | Existing Molecules

Selected Molecules (1-100 of 519,450)

Molid	Formula	Iupac	Common Name	Clinical Phase	Atoms	Charge	Curation	Visibility
10	CH₄S	METHANETHIOL	Methanethiol		6	0	ATB	Public
12	C₃H₈S	methylsulfanylethane	Methylthioethane		12	0	ATB	Public
13	C₄H₆N₂	-	-		12	0	ATB	Public
16	C₄H₁₁N₃	2-propylguanidine	1-Propylguanidine		18	0	ATB	Public
27	C₅H₉O₁₀P₂	-	-		26	-3	ATB	Public
34	C₁₄H₁₄FN₃O₂S	5-(4-fluorophenyl)-N ...	5-(4-Fluorophenyl)-N ...		35	0	ATB	Public
37	C₅H₁₁NO₃S	-	-		21	0	ATB	Public
38	C₈H₁₆N₂O₃S	-	-		30	0	ATB	Public
49	C₁₀H₁₂N₅O₁₁P₂	-	-		40	-3	ATB	Public
51	C₁₀H₁₂N₅O₁₃P₃	-	-		43	-4	ATB	Public
64	C₁₁H₁₀NO₃	-	-		25	-1	ATB	Public
76	C₁₀H₁₂N₅O₁₄P₃	-	-		44	-4	ATB	Public
87	C₁₀H₁₂N₅O₁₀P₂	-	-		39	-3	ATB	Public
91	C₉H₄Cl₂N	-	-		16	1	ATB	Public
92	C₉H₁₀Cl₂N	-	-		22	1	ATB	Public
98	C₇H₁₂NO₂	-	-		22	-1	ATB	Public
100	C₅H₉O₁₃P₃	-	-		30	-4	ATB	Public
102	C₂H₆O₁₀P₃	-	-		21	-3	ATB	Public
103	C₉H₁₁N₅O₃	(2R,3R,4R)-2-(6-aminopurin-9-yl)oxolane-3,4-diol ...	-		28	0	ATB	Public
104	C₉H₁₁N₅O₄	-	-		29	0	ATB	Public
121	C₅H₄BrN₅	-	-		15	0	ATB	Public
123	C₆H₁₂N₂O	Piperidine-4-carboxamide ...	Piperidin-4-carboxamid ...		21	0	ATB	Public
126	C₄H₂Br₂N₂O₃	5,5-dibromo-1,3-diazinane-2,4,6-trione ...	5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione ...		13	0	ATB	Public
128	C₉H₁₃N₂O₂S	-	-		27	1	ATB	Public
139	C₄H₅N₃	-	-		12	0	ATB	Public
140	C₄H₆N₄	-	-		14	0	ATB	Public
146	C₈H₈N₂	-	-		18	0	ATB	Public
161	C₅H₄N₄S	-	-		14	0	ATB	Public
163	None	-	-		13	0	Manual*	Public
164	None	-	-		27	1	Manual*	Public
165	None	-	-		26	0	Manual*	Public
166	None	-	-		17	0	Manual*	Public
167	None	-	-		14	-1	Manual*	Public
168	None	-	-		15	0	Manual*	Public
169	None	-	-		13	0	Manual*	Public
170	None	-	-		14	0	Manual*	Public
171	None	-	-		14	0	Manual*	Public
172	None	-	-		14	0	Manual*	Public
173	None	-	-		20	0	Manual*	Public
174	None	-	-		19	-1	Manual*	Public
175	None	-	-		19	0	Manual*	Public
176	None	-	-		20	0	Manual*	Public
177	None	-	-		20	0	Manual*	Public
178	None	-	-		21	1	Manual*	Public
179	C₅H₅N₅	-	-	1	15	0	ATB	Public
181	C₅H₅NO	-	-		12	0	ATB	Public
182	C₄H₅N₃	-	-		12	0	ATB	Public
186	C₇H₅ClN₂	-	-		15	0	ATB	Public
188	C₇H₉N₂	-	-		18	1	ATB	Public
193	C₆H₁₄NO	-	-		22	1	ATB	Public
194	C₆H₁₆N₂	-	-		24	2	ATB	Public
195	C₅H₁₂NO	-	-		19	1	ATB	Public
197	C₇H₁₄NO₂	-	-		24	1	ATB	Public
199	C₃H₇NO₂S	-	-		14	0	ATB	Public
203	None	-	-		22	0	Manual*	Public
204	None	-	-		22	0	Manual*	Public
205	None	-	-		24	0	Manual*	Public
206	None	-	-		25	1	Manual*	Public
207	None	-	-		20	0	Manual*	Public
208	None	-	-		23	0	Manual*	Public
209	C₆H₁₃N₂O	-	-		22	1	ATB	Public
210	None	-	-		17	0	Manual*	Public
211	None	-	-		14	0	Manual*	Public
212	None	-	-		17	0	Manual*	Public
213	None	-	-		27	0	Manual*	Public
214	None	-	-		24	0	Manual*	Public
215	None	-	-		19	0	Manual*	Public
216	None	-	-		13	0	Manual*	Public
217	C₈H₁₀O₂	(2-methoxyphenyl)methanol ...	o-methoxybenzylalcohol ...		20	0	ATB	Public
219	C₇H₇FO₂	4-Fluoro-2-methoxyphenol ...	4-Fluoro-2-methoxyphenol ...		17	0	ATB	Public
220	C₆H₉NS	-	Trimethylthiazole		17	0	ATB	Public
222	C₁₀H₈ClNO	1-(6-chloroindol-1-yl)ethanone ...	1-(6-Chloro-1H-indol-1-yl)ethanone ...		21	0	ATB	Public
225	C₃H₄N₂S	-	-		10	0	ATB	Public
228	C₆H₈O₂	cyclohexane-1,4-dione ...	1,4-Cyclohexanedione		16	0	ATB	Public
231	C₆H₁₂O₂	(1R,2R)-cyclohexane-1,2-diol ...	L6TJAQBQ&&trans;		20	0	ATB	Public
232	C₃H₃BrN₂	-	-		9	0	ATB	Public
234	C₈H₇FO	1-(2-fluorophenyl)ethanone ...	2′-Fluoroacetophenone ...		17	0	ATB	Public
236	C₈H₇FO	1-(3-fluorophenyl)ethanone ...	1-(3-Fluorophenyl)ethanone ...		17	0	ATB	Public
240	C₆H₁₂N₂O	piperidine-1-carboxamide ...	Piperidinoformamide		21	0	ATB	Public
243	C₉H₆ClN	-	6-Chloroquinoline		17	0	ATB	Public
249	C₉H₇NO	-	-		18	0	ATB	Public
253	C₉H₁₁NO₂	-	-		23	0	ATB	Public
255	C₁₀H₁₂BrN₅O₅	-	-		33	0	ATB	Public
261	C₆H₅N₃	-	-		14	0	ATB	Public
279	C₅H₅NO	-	-		12	0	ATB	Public
282	C₆H₉N₂	-	-		17	1	ATB	Public
287	C₆H₉N₂	-	-		17	1	ATB	Public
292	C₅H₅NO₂	-	-		13	0	ATB	Public
293	C₅H₅NO₂	-	-		13	0	ATB	Public
294	C₅H₇N₃	-	-		15	0	ATB	Public
295	C₄H₆N₄	-	-		14	0	ATB	Public
310	C₇H₆N₂	-	-		15	0	ATB	Public
311	C₈H₈N₂	-	-		18	0	ATB	Public
317	C₆H₆N₄	-	-		16	0	ATB	Public
318	C₅H₅N₅	-	-	4	15	0	ATB	Public
321	C₅H₄ClN₅	-	-		15	0	ATB	Public
338	C₉H₇NO	-	-		18	0	ATB	Public
342	C₁₀H₉NO	-	-		21	0	ATB	Public
347	C₉H₇NO	-	-		18	0	ATB	Public
352	C₅H₇NS	-	4,5-Dimethylthiazole		14	0	ATB	Public