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List of which calculations are completed at QCISD(T)=FULL /aug-cc-pVQZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li- Lithium atom anion 1SKh
12 LiH Lithium Hydride 1ΣC∞v
13 LiH+ lithium hydride cation 2ΣC∞v
14 BeH beryllium monohydride 2ΣC∞v
15 MgH magnesium monohydride 2ΣC∞v
16 TiH Titanium monohydride 4ΦC∞v
17 ZnH+ Zinc, protonated   
18 BeH2+ Beryllium dihydride cation   
19 MgH2 magnesium dihydride 1ΣgD∞h
20 Al Aluminum atom 2PKh
21 Al- Aluminum atom anion 3PKh
22 Al- Aluminum atom anion 1DKh
23 Al+ Aluminum atom cation 1SKh
24 Sc Scandium atom 2DKh
25 Sc+ Scandium cation 3DKh
26 Ga Gallium atom 2P 
27 Ga- Gallium atom anion 3POh
28 Ga+ Gallium atom cation 1S 
29 BH Boron monohydride 1ΣC∞v
30 BH Boron monohydride 3ΠC∞v
31 ScH Scandium monohydride 1ΣC∞v
32 GaH Gallium monohydride 1ΣC∞v
33 GaH+ Gallium monohydride cation 2ΣC∞v
34 BH3+ boron trihydride cation 2B2C2v
35 BH3+ boron trihydride cation  C2v
36 AlH3 aluminum trihydride 1A1'D3h
37 AlH3- aluminum trihydride anion  C3v
38 ScH3 Scandium trihydride 1A1'D3h
39 ScH3 Scandium trihydride 1A1C3v
40 BH4 borohydride 2B2C2v
41 BH4- borohydride anion 1A1Td
42 C Carbon atom 3P0Kh
43 C- Carbon atom anion 4SKh
44 C- Carbon atom anion 2DKh
45 Si- Silicon atom anion 4SKh
46 Ge Germanium atom 3PKh
47 Ge- Germanium anion 4SKh
48 Ge+ Germanium cation 2PKh
49 CH Methylidyne 2Π1/2C∞v
50 SiH Silylidyne 2ΠC∞v
51 SiH+ silicon monohydride cation 1ΣC∞v
52 GeH germylidene 2ΠC∞v
53 GeH+ Germaniun monohyrdide cation 1ΣC∞v
54 CH2 Methylene 3B1C2v
55 CH2 Methylene 3ΣGD∞h
56 CH2 Methylene 1A1C2v
57 CH2- methylene anion 2B1C2v
58 CH2+ methylene cation 2A1C2v
59 CH2+ methylene cation 2ΠD∞h
60 GeH2 germylene 1A1C2v
61 CH3 Methyl radical 2A1D3h
62 CH3- methyl anion 1A1C3v
63 CH3+ methyl cation 1A1'D3h
64 SiH3 Silyl radical 2A1C3v
65 SiH3+ Silyl cation 1A1'D3h
66 GeH3 Germyl radical 2A1C3v
67 GeH3+ germyl cation 1A1'D3h
68 CH4 Methane 1A1Td
69 SiH2D2 silane-d2   
70 SiH4 Silane 1A1Td
71 GeH4 Germane 1A1Td
72 SiH5+ Silane, protonated   
73 N Nitrogen atom 4SKh
74 P Phosphorus atom 4SKh
75 V Vanadium atom 4FKh
76 V+ Vanadium atom cation 5DKh
77 As Arsenic atomic 4SKh
78 As- Arsenic anion 3PKh
79 As+ Arsenic cation 3PKh
80 PH phosphorus monohydride 3Σ-C∞v
81 AsH Arsenic monohydride 3ΣC∞v
82 NH2 Amino radical 2B1C2v
83 NH2+ Amino cation 3B1C2v
84 NH2+ Amino cation 1A1C2v
85 NH3 Ammonia 1A1C3v
86 NH3- Ammonia anion 2A1C3v
87 NH3+ ammonia cation 2A2"D3h
88 PH3 Phosphine 1A1C3v
89 PH3+ Phosphine cation 2A1C3v
90 AsH3 Arsine 1A1C3v
91 AsH3+ Arsine cation 2A1C3v
92 AsH4+ Arsonium   
93 NH4 Ammonium radical   
94 NH4+ ammonium cation 1A1Td
95 PH4 Phosphoranyl radical   
96 PH4+ phosphonium cation   
97 O Oxygen atom 3SKh
98 S Sulfur atom 3PKh
99 S Sulfur atom   
100 S- Sulfur atom anion 2PKh
101 S+ Sulfur atom cation 4SKh
102 Se Selenium atom 3PKh
103 Se- Selenium atom anion 2PKh
104 Se+ Selenium atom cation 4SKh
105 OH Hydroxyl radical 2ΠC∞v
106 OH- hydroxide anion 1ΣC∞v
107 OH+ hydoxyl cation 3ΣC∞v
108 HS Mercapto radical 2ΠC∞v
109 HS- mercapto anion 1ΣC∞v
110 HS+ sulfur monohydride cation 3ΣC∞v
111 CrH+ Chromium hydride cation 5ΣC∞v
112 HSe Selenium monohydride 2ΠC∞v
113 HSe- selenium monohydride anion 1ΣC∞v
114 HSe+ selenium monohydride cation 3ΣC∞v
115 H2O Water 1A1C2v
116 H2O- water anion 2A1C2v
117 H2O- water anion 2A'Cs
118 H2O+ water cation 2B1C2v
119 HDO Water-d1 1A1C2v
120 H2S Hydrogen sulfide 1A1C2v
121 H2S+ Hydrogen sulfide cation 2B1C2v
122 H2Se Hydrogen selenide 1A1C2v
123 H2Se+ Hydrogen selenide cation 2B1C2v
124 H3O+ hydronium cation 1A1C3v
125 H3S+ Sulfonium cation 1A1C3v
126 H3Se+ Hydrogen Selenide, protonated 1A1C3v
127 F Fluorine atom 2PKh
128 F- Fluorine atom anion 1SKh
129 F+ Fluorine atom cation 3SKh
130 F+ Fluorine atom cation 1DKh
131 Cl Chlorine atom 2PKh
132 Cl- Chlorine atom anion 1SKh
133 Cl+ Chlorine atom cation 3PKh
134 Cl+ Chlorine atom cation 1DKh
135 Br Bromine atom 2PKh
136 Br- Bromine atom anion 1SKh
137 Br+ Bromine atom cation 3PKh
138 HF Hydrogen fluoride 1ΣC∞v
139 HF- hydrogen fluoride anion 2ΣC∞v
140 HF+ hydrogen fluoride cation 2ΠC∞v
141 HCl Hydrogen chloride 1ΣC∞v
142 HCl- hydrogen chloride anion 2ΣC∞v
143 HCl+ hydrogen chloride cation 2ΠC∞v
144 HBr hydrogen bromide 1ΣC∞v
145 HBr- hydrogen bromide anion 2ΣC∞v
146 HBr+ hydrogen bromide cation 2ΠC∞v
147 H2Cl+ dihydrogen monochloride cation 1A1C2v
148 H2Br+ protonated hydrogen bromide 2A1C2v
149 Ne Neon atom 1SKh
150 Ne Neon atom   
151 Kr Krypton atom 1SKh
152 Kr+ Krypton cation 2PKh
153 HeLi+ Helium Lithium cation   
154 ArH+ Argon hydride cation 1ΣC∞v
155 KrH+ Protonated Krypton 1ΣC∞v
156 H2Ar H2 Ar dimer 1ΣC∞v
157 Li2+ lithium diatomic cation 2ΣgD∞h
158 NaLi lithium sodium 1ΣC∞v
159 Na2 Sodium diatomic 1ΣgD∞h
160 Na2- sodium diatomic anion 2ΣuD∞h
161 Na2+ sodium diatomic cation 2ΣgD∞h
162 BeMg Beryllium Magnesium 1ΣC∞v
163 LiB Lithium boride 3ΠC∞v
164 LiAl Lithium Aluminum   
165 NaAl Sodium aluminum 1ΣC∞v
166 BeB Beryllium monoboride 2ΠC∞v
167 B2 Boron diatomic 1ΣgD∞h
168 B2+ Boron diatomic cation 2ΠD∞h
169 BAl Boron Aluminum 3ΣC∞v
170 BGa Boron Gallium 3ΣC∞v
171 AlGa Aluminum Gallium 3ΣC∞v
172 AlGa Aluminum Gallium 1ΣC∞v
173 Ga2 Gallium diatomic 3Piu 
174 HBBH Diborane(2) 3ΣGD∞h
175 B2H4 Diborane(4) D2d 1A1D2d
176 HBHHBH Diborane(4) C2V 1A1C2v
177 B2H6 Diborane 1AgD2h
178 B2H6+ Diborane cation   
179 Ga2H6 digallane 1AGD2h
180 BeC Beryllium Carbide 3Σ-C∞v
181 BeC Beryllium Carbide   
182 AlC Aluminum carbide 4ΣC∞v
183 BSi Boron silicide 4ΣC∞v
184 BSi Boron silicide 2ΣC∞v
185 C2 Carbon diatomic 1Σg+D∞h
186 C2 Carbon diatomic 3Σg- 
187 C2+ carbon diatomic cation 4ΣgD∞h
188 GeC Germanium monocarbide 1ΣC∞v
189 SiGe Silicon Germanium   
190 C2H Ethynyl radical 2ΣC∞v
191 C2H- Ethynyl anion 1ΣC∞v
192 C2H2+ acetylene cation 2ΠuD∞h
193 C2H2+ acetylene cation   
194 H2CC- vinylidene anion   
195 HCCH- acetylene anion   
196 HCCH- acetylene anion   
197 Si2H2 disilyne   
198 Si2H2 disilyne   
199 Si2H2 disilyne   
200 Si2H2 disilyne   
201 CH3Li methyl lithium 1A1C3v
202 CH2BH methyleneborane 1A1C2v
203 C2H3 vinyl 2A'Cs
204 C2H3- vinyl anion 1A'Cs
205 C2H3+ vinyl cation 1A1C2V bridging H
206 C2H3+ vinyl cation 1A1C2V HCCH2
207 C2H4+ Ethylene cation 2B3D2
208 Si2H4 Disilene   
209 Si2H4 Disilene   
210 Si2H4 Disilene   
211 CH3BH2 methylborane 1A'Cs
212 C2H5 Ethyl radical 2A'Cs
213 C2H6 Ethane 1A1gD3d
214 CH3SiH3 methyl silane 1A1C3
215 Si2H6 disilane 1EuD3d
216 LiN Lithium Nitride 3ΣC∞v
217 LiP Lithium monophosphide   
218 LiP Lithium monophosphide   
219 BeN+ Beryllium mononitride cation 3ΣC∞v
220 BeN+ Beryllium mononitride cation 1ΣC∞v
221 MgN Magnesium Nitride   
222 MgN Magnesium Nitride   
223 BP Boron monophosphide 3ΠC∞v
224 BP Boron monophosphide 1ΣC∞v
225 AlP Aluminum monophosphide 3ΣC∞v
226 AlP Aluminum monophosphide 3ΠC∞v
227 AlP Aluminum monophosphide 1ΣC∞v
228 GaP Gallium monophosphide 3ΣC∞v
229 GaP Gallium monophosphide 1ΣC∞v
230 GaAs Gallium arsenide 3Π 
231 GaAs Gallium arsenide 1Σ 
232 BN boron nitride 3ΠC∞v
233 BN boron nitride 1ΣC∞v
234 CN Cyano radical 2ΣC∞v
235 CN- cyanide anion 1ΣC∞v
236 SiP Silicon monophosphide 2ΠC∞v
237 N2 Nitrogen diatomic 1ΣgD∞h
238 N2 Nitrogen diatomic   
239 N2- nitrogen diatomic anion 2ΠgD∞h
240 N2+ diatomic nitrogen cation 2ΣgD∞h
241 PN Phosphorus mononitride 1ΣC∞v
242 HCN Hydrogen cyanide 1ΣC∞v
243 HCN+ hydrogen cyanide cation 2ΠC∞v
244 HNC+ hydrogen isocyanide cation   
245 HCP+ Phosphaethyne cation   
246 NNH+ Dinitrogen monohydride cation 1ΣC∞v
247 LiNH2 lithium amide   
248 HBNH Boranimine 1ΣC∞v
249 H2NN Isodiazene   
250 N2H2 (E)-diazene 1AgC2h
251 N2H2 (Z)-Diazene 1A1C2v
252 N2H2+ trans-diazene cation 2AGC2h
253 CH2NH Methanimine 1A'Cs
254 CH2NH+ Methanimine cation   
255 CHNH2 aminomethylene   
256 CHNH2+ Aminocarbene cation   
257 BH2NH2 Boranamine   
258 CH2NH2+ methyleneamine cation 1A1C2v
259 N2H4 Hydrazine 1AC2
260 N2H4+ hydrazine cation 2AGC2h
261 CH3NH2 methyl amine 1A'Cs
262 CH3NH2+ methyl amine cation 2A'Cs
263 SiH3NH2 Silane, amino   
264 N2H5+ protonated hydrazine 1A'Cs
265 BH3PH3 borane phosphine   
266 BH3NH3 borane ammonia 1A1C3v
267 CH3NH3 methyl ammonium radical 2A1C3v
268 CH3PH3+ methyl phosphine, protonated 1A1C3v
269 N2H7+ ammonia ammonium dimer   
270 LiO lithium oxide 2ΣC∞v
271 LiS Lithium monosulfide 2ΠC∞v
272 LiS+ Lithium sulfide cation 3ΣC∞v
273 NaO sodium monoxide 2ΣC∞v
274 NaS Sodium sulfide 2ΠC∞v
275 LiSe Lithium monoselenide   
276 BO boron monoxide 2ΣC∞v
277 ScO Scandium monoxide 2ΣC∞v
278 GaO Gallium monoxide 2ΣC∞v
279 GaS Gallium monosulfide   
280 CO Carbon monoxide 1ΣC∞v
281 CO- carbon monoxide anion 2ΠC∞v
282 CO+ carbon monoxide cation 2ΣC∞v
283 SiO Silicon monoxide 1ΣC∞v
284 SiS silicon monosulfide 1ΣC∞v
285 TiO Titanium monoxide 3ΔC∞v
286 CSe Carbon monoselenide 1ΣC∞v
287 GeO Germanium monoxide 1ΣC∞v
288 GeO+ Germanium monoxide cation 2ΣC∞v
289 GeS Germanium monosulfide 1ΣC∞v
290 SiSe Silicon Monoselenide   
291 SiSe+ Silicon Monoselenide cation   
292 GeSe Germanium monoselenide   
293 NO Nitric oxide 2ΠC∞v
294 NO- nitric oxide anion 3ΣC∞v
295 NO+ nitric oxide cation 1ΣC∞v
296 NS Mononitrogen monosulfide 2ΠC∞v
297 PO Phosphorus monoxide 2ΠC∞v
298 PS phosphorus sulfide 2ΣC∞v
299 VO Vanadium monoxide 4Σ- 
300 NSe Nitrogen monoselenide 2ΠC∞v
301 AsS Arsenic monosulfide 2ΠC∞v
302 PSe Phosphorus monoselenide 2ΠC∞v
303 AsSe Arsenic monoselenide 2ΠC∞v
304 O2 Oxygen diatomic 3ΣgD∞h
305 O2- oxygen diatomic anion 2ΠD∞h
306 O2-- dioxygen dianion   
307 SO Sulfur monoxide 3ΣC∞v
308 SO Sulfur monoxide 1ΣC∞v
309 SO+ sulfur monoxide cation 2ΠC∞v
310 S2 Sulfur diatomic 3ΣgD∞h
311 SeO Selenium monoxide 3ΣC∞v
312 Se2 Selenium diatomic 3ΣgD∞h
313 LiOH lithium hydroxide 1ΣC∞v
314 BeOH beryllium monohydroxide 2A'Cs
315 BeOH beryllium monohydroxide 2ΣC∞v
316 HBO Boron hydride oxide 1ΣC∞v
317 HBS hydrogen boron sulfide 1ΣC∞v
318 COH Hydroxymethylidyne   
319 COH+ Carbon Monoxide, protonated 1ΣC∞v
320 HCO Formyl radical 2A'Cs
321 HCO- formyl anion 1A'Cs
322 HCO+ Formyl cation 1ΣC∞v
323 HNO Nitrosyl hydride 1A'Cs
324 HNO+ Nitrosyl hydride cation 2A'Cs
325 NOH Hydroxyimidogen 3A"Cs
326 NOH+ O-protonated nitric oxide 2A'Cs
327 HO2 Hydroperoxy radical 2A"Cs
328 HO2+ Hydroperoxy cation 3A"Cs
329 HSO+ Sulfur Monoxide, S-protonated   
330 SOH Sulfur Hydroxide   
331 SOH+ Sulfur Monoxide, protonated   
332 H2CO- formaldehyde anion 2A'Cs
333 H2CO- formaldehyde anion   
334 H2CO+ formaldehyde cation 2B2C2v
335 H2CS Thioformaldehyde 1A1C2v
336 H2CS- thioformaldehyde anion   
337 H2CS- thioformaldehyde anion   
338 H2CS+ thioformaldehyde cation 2B2C2v
339 H2CSe Selenoformaldehyde   
340 H2NO nitroxide 2B1C2v
341 H2NO nitroxide 2A'Cs
342 H2O2 Hydrogen peroxide 1AC2
343 H2O2 Hydrogen peroxide 1AgC2h
344 H2OO water oxide   
345 HOSH hydrogen thioperoxide   
346 H2S2 Disulfane 1AC2
347 H2S2+ hydrogen disulfide cation 2BgC2h
348 H2Se2 hydrogen diselenide   
349 CH2OH Hydroxymethyl radical 2AC1
350 CH2OH+ hydroxymethyl cation 1A'Cs
351 CH3O- methoxy anion 1A1C3v
352 CH3O+ Methoxy cation 3A1C3v
353 NH2OH hydroxylamine 1A'Cs
354 NH2OH+ Hydroxylamine cation   
355 CH3OH Methyl alcohol 1A'Cs
356 CH3OH- Methyl alcohol anion 2A'Cs
357 CH3OH- Methyl alcohol anion 2A'CS eclipsed
358 CH3OH+ Methyl alcohol cation 2A"Cs
359 CH3SH Methanethiol 1A'Cs
360 CH3SH+ Methanethiol cation 2A"Cs
361 SiH3OH silanol   
362 NH2OH2+ protonated hydroxylamine   
363 NH3OH+ N-protonated hydroxylamine   
364 H2OH2O water dimer 1A'Cs
365 H5O2+ Dihydroxonium ion 1AC2
366 LiF lithium fluoride 1ΣC∞v
367 LiCl lithium chloride 1ΣC∞v
368 NaF sodium fluoride 1ΣC∞v
369 NaF+ sodium fluoride cation 2ΣC∞v
370 NaCl Sodium Chloride 1ΣC∞v
371 NaCl+ sodium chloride cation 2ΠC∞v
372 LiBr Lithium Bromide 1ΣC∞v
373 LiF+ lithium fluoride cation 2ΠC∞v
374 MgF+ magnesium fluoride cation 1ΣC∞v
375 ZnF Zinc monofluoride 2ΣC∞v
376 BF Boron monofluoride 1ΣC∞v
377 AlF Aluminum monofluoride 1Σ+C∞v
378 ScF Scandium monofluoride 1ΣC∞v
379 GaF Gallium monofluoride 1ΣC∞v
380 GaF+ Gallium monofluoride cation 2ΣC∞v
381 AlBr Aluminum monobromide   
382 GaCl Gallium monochloride 1ΣGC∞v
383 GaCl+ Gallium monochloride cation 2ΣC∞v
384 GaBr Gallium monobromide   
385 CF Fluoromethylidyne 2ΠC∞v
386 SiF silicon monofluoride 2ΠC∞v
387 SiF+ silicon monofluoride cation 1ΣC∞v
388 SiCl Clorosilylidyne 2ΠC∞v
389 CBr Carbon monobromide 2ΠC∞v
390 GeF Germanium monofluoride 2ΠC∞v
391 GeF+ Germanium monofluoride cation 1ΣC∞v
392 GeCl Germanium monochloride 2ΠC∞v
393 GeCl+ Germanium monochloride cation   
394 SiBr+ Silicon monobromide cation   
395 NCl nitrogen monochloride 3ΣC∞v
396 AsF Arsenic monofluoride 3ΣC∞v
397 AsCl Arsenic monochloride 3ΣC∞v
398 PBr Phosphorus monobromide   
399 FO Oxygen monofluoride 2ΠC∞v
400 ClO Monochlorine monoxide 2ΠC∞v
401 ClO+ chlorine monoxide cation 3ΣC∞v
402 SF Monosulfur monofluoride 2ΠC∞v
403 SF+ sulfur monofluoride cation 3ΣC∞v
404 SCl+ sulfur monochloride cation 3ΣgC∞v
405 BrO Bromine monoxide 2ΠC∞v
406 BrO+ Bromine monoxide cation   
407 SeF Selenium monofluoride 2ΠC∞v
408 SBr Sulfur monobromide radical   
409 SBr+ Sulfur monobromide cation   
410 SeCl Selenium monochloride 2ΠC∞v
411 SeBr Selenium monobromide   
412 BrCl Bromine monochloride 1ΣC∞v
413 F2 Fluorine diatomic 1ΣgD∞h
414 F2- flourine diatomic anion 2ΣuD∞h
415 F2+ flourine diatomic cation 2ΠgD∞h
416 ClF Chlorine monofluoride 1Σ+C∞v
417 ClF+ clorine monofluoride cation 2ΠC∞v
418 Cl2 Chlorine diatomic 1ΣgD∞h
419 Cl2+ chlorine diatomic cation 2ΠgD∞h
420 BrF Bromine monofluoride 1ΣC∞v
421 Br2 Bromine diatomic 1ΣgD∞h
422 Br2- bromine diatomic anion 2ΣuD∞h
423 Br2+ bromine diatomic cation 2ΠgD∞h
424 HCF Fluoromethylene 1A'Cs
425 HCF Fluoromethylene 3A"Cs
426 HSiF fluorosilylene   
427 HSiCl Chlorosilylene   
428 HSiBr monobromosilylene   
429 HOF Hypofluorous acid 1A'Cs
430 HOCl hypochlorous acid 1A'Cs
431 HOCl+ hypochlorous acid cation   
432 F2H+ Fluorine, protonated 1A'Cs
433 ClFH+ Chlorine fluoride, F-protonated   
434 FClH+ Chlorine fluoride, Cl-protonated   
435 Cl2H+ Chlorine, protonated 1A'Cs
436 CH2Br bromomethyl radical   
437 CH2F fluoromethyl radical 2ACs
438 CH2F+ fluoromethyl cation   
439 CH2Cl+ chloromethyl cation   
440 CH2Cl chloromethyl radical 2A'Cs
441 CH2Cl chloromethyl radical 2B1C2v
442 NH2Cl chloramine 1A'Cs
443 CH3F+ methyl fluoride cation   
444 CH3F Methyl fluoride 1A1C3v
445 CH3Cl Methyl chloride 1A1C3v
446 CH3Cl+ Methyl chloride cation   
447 SiH3F monofluorosilane 1A1C3v
448 SiH3Cl chlorosilane 1A1C1
449 CH3Br methyl bromide 1A1C3v
450 GeH3F monofluorogermane   
451 GeH3Cl monochlorogermane   
452 NH3Cl+ protonated monochloroammonia   
453 CH3ClH+ methyl chloride, protonated   
454 NH4Cl Ammonium chloride   
455 LiNe+ Lithium Neon cation   
456 Ne2+ Neon diatomic cation 2ΣuD∞h
457 Ar2 Argon diatomic 1SgD∞h
458 Ar2+ Argon diatomic cation 2ΣuD∞h
459 Li3 Lithium trimer 2B2C2v
460 Li3+ Lithium trimer cation 1A1'D3h
461 C3 carbon trimer 1ΣgD∞h
462 C3 carbon trimer 1A1C2v
463 C3+ carbon trimer cation 2B2C2v
464 SiC2 Silicon dicarbide   
465 C3H4 cyclopropene 1A1C2v
466 CH2CCH2 allene 1A1D2d
467 CH3CCH propyne 1A'C3v
468 CH2CHCH3 Propene 1A'Cs
469 C3H7 n-Propyl radical 2A"C1
470 CH3CHCH3+ Isopropyl cation 1AC2
471 C3H8 Propane 1A1C2v
472 Si3H8 trisilane   
473 LiCN lithium cyanide 1ΣC*V LiCN
474 LiCN lithium cyanide 1A'Cs
475 NaCN Sodium Cyanide 1ΣC∞v
476 NaCN Sodium Cyanide 1ACs
477 CuCN Copper cyanide 1ΣC∞v
478 CuCN Copper cyanide 3ΠCs
479 ZnCN Zinc monocyanide 2ΣC∞v
480 ZnNC Zinc isocyanide 2ΣC∞v
481 AlCN Aluminum monocyanide   
482 AlNC Aluminum isocyanide   
483 CNN Diazocarbene   
484 N3 azide radical 2ΠgD∞h
485 N3+ azide cation 3ΣgD∞h
486 N3+ azide cation 3ΣC∞v
487 HN3 hydrogen azide 1A'Cs
488 HN3+ Hydrazoic acid cation   
489 HNCNH diiminomethane 1AC2
490 HNNNH+ 1,2-Triazadienium   
491 NH2NN+ hydrazoic acid, protonated   
492 CH3CN Acetonitrile 1A1C3v
493 HCNCH2+ 2H-Azirine cation   
494 HNCNH2+ diiminomethane, protonated 1A'Cs
495 NH2CNH+ cyanamide, cn protonated   
496 NH3CN+ cyanamide, amine protonated   
497 C2H6N+ aziridine, protonated 1A1C2v
498 CH3CH2NH2 Ethylamine   
499 Li2O dilithium oxide 1ΣgD∞h
500 Li2S dilithium sulfide 1ΣGD∞h
501 Li2S dilithium sulfide 1A1C2v
502 Na2O disodium monoxide 1ΣgLinear
503 Na2S Sodium sulfide   
504 Na2S Sodium sulfide   
505 LiO2 Lithium dioxide   
506 NaO2 Sodium superoxide   
507 CCO Dicarbon monoxide 3ΣC∞v
508 CCO Dicarbon monoxide 1ΠC∞v
509 NCO isocyanato radical 2ΠC∞v
510 N2O Nitrous oxide 1ΣC∞v
511 N2O- Nitrous oxide anion 2A'Cs
512 OCS Carbonyl sulfide 1ΣC∞v
513 CS2 Carbon disulfide 1ΣgD∞h
514 GeO2 Germanium dioxide 1ΣgD∞h
515 OCSe Carbonyl selenide 1ΣC∞v
516 SCSe Carbon sulfide selenide   
517 NO2 Nitrogen dioxide 2A1C2v
518 NO2+ Nitrogen dioxide cation 1ΣGD∞h
519 NSO sulfinyl amidogen   
520 SNO Nitrogen oxide sulfide   
521 O3 Ozone 1A1Cs
522 SO2 Sulfur dioxide 1A1C2v
523 SSO Disulfur monoxide 1A'Cs
524 S3 Sulfur trimer 1A1C2v
525 S3 Sulfur trimer   
526 S3+ Sulfur trimer cation 2B2C2v
527 SeO2 Selenium dioxide 1A1C2v
528 SeO2+ Selenium dioxide cation 2A1C2v
529 HCCO ketenyl radical 2ΠC∞v
530 HCCO ketenyl radical 2A"Cs
531 HOCO Hydrocarboxyl radical 1A'cis
532 HOCO Hydrocarboxyl radical 1A'trans
533 O3H+ protonated ozone 1A'Cs
534 O3H+ protonated ozone   
535 C2H2O Oxirene 1A1C2v
536 CH2CO Ketene 1A1C2v
537 CH2CS Thioketene   
538 Be(OH)2 Beryllium hydroxide   
539 NH2NO Nitrosamide 1AC1
540 H2COO Dioxymethyl radical 2A'Cs
541 H2COO+ dioxymethyl cation 2A'Cs
542 HCOOH Formic acid 1A'Cs
543 HCOOH Formic acid   
544 CH2BOH hydroxy(methylene)borane 1A'Cs
545 BH3CO Borane carbonyl 1A1C3v
546 CH3BO Borane, methyloxo- 1A1C3v
547 CH2COH+ ketene, protonated   
548 CNOH3 1,2-oxaziridine 1AC1
549 HOCHNH hydroxymethylimine 1A'CS H all up
550 NHCHSH Methanimidothioic acid   
551 C2H4O Ethylene oxide 1A1C2v
552 C2H4O+ ethylene oxide cation   
553 CH3CHO Acetaldehyde 1A'Cs
554 CH3CHO+ acetaldehyde cation   
555 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
556 C2H4S Thiirane 1A1C2v
557 CH2CHSH Ethenethiol   
558 NH2CHOH+ Formamide, O-protonated   
559 CH3SSH Hydrogen methyl disulfide   
560 HSCH2SH Methanedithiol   
561 C2H4OH+ ethylene oxide, protonated 1A'Cs
562 CH3CH2SH ethanethiol 1A'Cs
563 CH3SCH3 Dimethyl sulfide 1A1C2v
564 CH3SCH3+ dimethyl sulfide cation   
565 CNF iso cyanogen fluoride 1ΣC∞v
566 BrCN Cyanogen bromide 1ΣC∞v
567 FBO Boron monofluoride monoxide   
568 BeBr2 Beryllium bromide   
569 FCO Carbonyl fluoride 2A'Cs
570 FCO+ Carbonyl fluoride cation 1ΣC∞v
571 ClCO carbonyl monochloride 2A'Cs
572 BF2 Boron difluoride radical 2A1C2v
573 FNO Nitrosyl fluoride 1A'Cs
574 ClNO Nitrosyl chloride 1A'Cs
575 FNS Thionitrosyl fluoride 1A'Cs
576 FSN Thiazyl fluoride 1A'Cs
577 OPCl Phosphorus oxychloride   
578 CF2 Difluoromethylene 1A1D∞h
579 CFCl chlorofluoromethylene 1A'Cs
580 SiF2 Silicon difluoride 1A1C2v
581 GeCl2 Germanium dichloride 1A1C2v
582 FOO+ Fluorine dioxide cation   
583 OClO Chlorine dioxide 2B1D∞h
584 OClO- Chlorine dioxide anion 1A'Cs
585 ClSO Sulfur chloride oxide 2A"Cs
586 BrOO Bromine dioxide   
587 OBrO Bromine dioxide radical 2B1C2v
588 PF2 Phosphorus difluoride   
589 PF2+ Phosphorus difluoride cation   
590 FClO chlorosyl fluoride 1A'Cs
591 ClOF Chlorine hypofluorite 1A'Cs
592 SF2 sulfur difluoride 1A1C2v
593 SeF2 Selenium difluoride   
594 SeCl2 Selenium Dichloride   
595 SBr2 Sulfur dibromide   
596 SeBr2 Selenium dibromide   
597 Br3- tribromide anion   
598 SFCl Sulfur chloride fluoride   
599 HCCF Fluoroacetylene 1ΣC∞v
600 HFCO+ formyl fluoride cation 2A'Cs
601 CHF2 difluoromethyl radical 2ACs
602 CHF2+ difluoromethyl cation   
603 CHFCl Chlorofluoromethyl radical   
604 CHFCl+ Chlorofluoromethyl cation   
605 CHCl2+ dichloromethyl cation   
606 NHF2 difluoramine   
607 NHCl2 dichloroamine   
608 CH2F2 Methane, difluoro- 1A1C2v
609 SiH2F2 difluorosilane   
610 CH2Cl2 Methylene chloride 1A1C2v
611 CH2BrCl Methane, bromochloro- 1A'Cs
612 CH2Br2 dibromomethane 1A1C2v
613 CH3MgBr Methyl Magnesium Bromide   
614 CH2CHF Ethene, fluoro- 1A'Cs
615 CH2FOH fluoromethanol   
616 C2H5Br Ethyl bromide 1A'Cs
617 C4 Carbon tetramer 3ΣgD∞h
618 C4 Carbon tetramer   
619 C4H4 Tetrahedrane   
620 CH3CH2CH2CH3 Butane 1AgAnti
621 Li3N trilithium nitride 1A'D3h
622 C2N2 Cyanogen 1ΣgD∞h
623 HCCCN+ Cyanoacetylene cation 2ΠC∞v
624 H2CNCN cyanamide, methylene   
625 HNCCNH Ethenediimine   
626 C2H5CN ethyl cyanide 1A'Cs
627 C3O Tricarbon monoxide 1ΣC∞v
628 ONNO NO dimer 1Agtrans C2H
629 ONNO NO dimer 1A1cis C2V
630 S2N2 Disulfur dinitride 1AGD2h
631 NO3- nitrate anion 1A1'D3h
632 SO3 Sulfur trioxide 1A1'D3h
633 SO3-- Sulfate dianion   
634 S4 Sulfur tetramer   
635 S4 Sulfur tetramer   
636 S4 Sulfur tetramer   
637 C3H2O Propadienal   
638 C3H2O Propadienal   
639 C2H2O2 Ethanedial 1AgC2h
640 CH3NCO methylisocyante   
641 CH3NO2 Methane, nitro- 1A'Cs
642 CH2CHCHO Acrolein 1A'Cs
643 CH3COCH2 Acetonyl radical 2A"Cs
644 Li2F2 Lithium fluoride dimer   
645 CF2O Carbonic difluoride 1A1C2v
646 CF2O+ Carbonic difluoride cation   
647 BF3+ boron trifluoride cation   
648 BCl3 Borane, trichloro- 1A1'D3h
649 BCl3+ Boron Trichloride cation   
650 GaF3 Gallium trifluoride 1A1'D3h
651 CF3- Trifluoromethyl anion 1A1C3v
652 CF2Cl difluorochloromethyl radical   
653 CFCl2 dichlorofluoromethyl radical   
654 ClO2F Chloryl fluoride 1A'Cs
655 SSCl2 Thiothionyl chloride   
656 NF3 Nitrogen trifluoride 1A1C3v
657 HClO3 Chloric Acid 1AC1
658 CHF3 Methane, trifluoro- 1A1C3v
659 SiHF3 trifluorosilane   
660 CHBrF2 Methane, bromodifluoro- 1A'Cs
661 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
662 C2H4F2 1,2-difluoroethane 1AgC2H anti
663 C2H4F2 1,2-difluoroethane 1AC2 gauche
664 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
665 CH3CHCHF trans-1-Fluoro-1-propene   
666 C3O2 Carbon suboxide 1ΣGD∞h
667 B2O3 diboron trioxide   
668 B2O3 diboron trioxide   
669 CF2Cl2 difluorodichloromethane 1A1C2v
670 SF4 Sulfur tetrafluoride 1A1C2v
671 CH2ClCCCl 1,3-dichloropropyne   
672 CHCl2CCH 3,3-dichloropropyne   
673 C3H2O3 vinylene carbonate   
674 C5H6O 2H-Pyran   
675 SF6 Sulfur Hexafluoride 1A1GOh

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Li Lithium atom li  
11 Li+ Lithium atom cation li+  
12 Na Sodium atom na  
13 Na- Sodium atom anion na-  
14 Na+ Sodium atom cation na+  
15 K Potassium atom k  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH- lithium hydride anion lih-  
22 NaH sodium hydride nah  
23 NaH- sodium hydride anion nah-  
24 NaH+ sodium hydride cation nah+  
25 KH Potassium hydride kh  
26 KH+ Potassium hydrogen cation kh+  
27 CuH Copper monohydride cuh  
28 Be Beryllium atom be  
29 Be- Beryllium atom anion be-  
30 Be+ Beryllium atom cation be+  
31 Mg Magnesium atom mg  
32 Mg- Magnesium atom anion mg-  
33 Mg+ Magnesium atom cation mg+  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn Zinc atom zn  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH- berylium monohydride anion beh-  
41 BeH+ beryllium monohydride cation beh+  
42 MgH- magnesium monohydride anion mgh-  
43 MgH+ magnesium monohydride cation mgh+  
44 CaH Calcium monohydride cah  
45 CaH+ Calcium monohydride cation cah+  
46 ZnH Zinc monohydride znh  
47 BeH2 beryllium dihydride beh2  
48 CaH2 Calcium Hydride cah2  
49 ZnH2 Zinc hydride znh2  
50 B Boron atom b  
51 B- Boron atom anion b-  
52 B+ Boron atom cation b+  
53 BH- boron monohydride anion bh-  
54 BH+ boron monohydride cation bh+  
55 AlH aluminum monohydride alh  
56 AlH- aluminum monohydride anion alh-  
57 AlH+ aluminum monohydride cation alh+  
58 ScH+ Scandium monohydride cation sch+  
59 BH2 boron dihydride bh2  
60 BH2- boron dihydride anion bh2-  
61 BH2+ Boron dihydride cation bh2+  
62 AlH2 aluminum dihydride alh2  
63 AlH2- aluminum dihydride anion alh2-  
64 AlH2+ aluminum dihydride cation alh2+  
65 BH3 boron trihydride bh3  
66 BH3- boron trihydride anion bh3-  
67 AlH3+ aluminum trihydride cation alh3+  
68 GaH3 Gallium trihydride gah3  
69 AlH4- Aluminum tetrahydride anion alh4-  
70 C+ Carbon atom cation c+  
71 Si Silicon atom si  
72 Si+ Silicon atom cation si+  
73 Ti Titanium atom ti  
74 Ti- Titanium atom anion ti-  
75 Ti+ Titanium atom cation ti+  
76 Sn Tin atom sn  
77 Sn+ Tin cation sn+  
78 CH- methylidyne anion ch-  
79 CH+ Methylidyne cation ch+  
80 SiH- silicon monohydride anion sih-  
81 SiH2 silicon dihydride sih2  
82 SiH2- silicon dihydride anion sih2-  
83 SiH2+ silicon dihydride cation sih2+  
84 GeH2- germylene anion geh2-  
85 SiH3- Silyl anion sih3-  
86 CD4 methane-d4 cd4  
87 CH2D2 methane-d2 ch2d2  
88 CH3D methane-d ch3d  
89 CH4- Methane anion ch4-  
90 CH4+ Methane cation ch4+  
91 CHD3 methane-d3 chd3  
92 SiH4+ Silane cation sih4+  
93 SnH4 Stannane snh4  
94 N- Nitrogen atom anion n-  
95 N+ Nitrogen atom cation n+  
96 P- Phosphorus atom anion p-  
97 P+ Phosphorus atom cation p+  
98 Sb Antimony atom sb  
99 NH Imidogen nh  
100 NH- Imidogen anion nh-  
101 NH+ imidogen cation nh+  
102 PH- phosphorus monohydride anion ph-  
103 PH+ phosphorus monohydride cation ph+  
104 AsH+ Arsenic monohydride cation ash+  
105 SbH Antimony monohydride sbh  
106 ND2 Amidogen-d2 nd2  
107 NH2- amino anion nh2-  
108 PH2 Phosphino radical ph2  
109 PH2- Phosphino anion ph2-  
110 PH2+ Phosphino cation ph2+  
111 AsH2 Arsenic dihydride ash2  
112 AsH2+ Arsenic dihydride cation ash2+  
113 ND3 Ammonia-d3 nd3  
114 SbH3 Stibine sbh3  
115 O- Oxygen atom anion o-  
116 O+ Oxygen atom cation o+  
117 Cr Chromium atom cr  
118 Te Tellurium atom te  
119 Te+ Tellurium atom cation te+  
120 DO Hydroxyl-d od  
121 DS Mercapto-d ds  
122 TeH Telluryl radical teh  
123 D2O Deuterium oxide d2o  
124 D2S Hydrogen sulfide-d2 d2s  
125 H2S- Hydrogen sulfide anion h2s-  
126 H2Te Hydrogen Telluride h2te  
127 Mn Manganese atom mn  
128 I Iodine atom iodine  
129 I- Iodine atom anion iodine-  
130 I+ Iodine atom cation iodine+  
131 DF Hydrofluoric acid-d df  
132 DCl Hydrochloric acid-d dcl  
133 HI Hydrogen iodide hi  
134 HI+ Hydrogen iodide cation hi+  
135 H2F+ dihydrogen fluoride cation h2f+  
136 H2I+ Iodonium h2i+  
137 Ne- Neon atom anion ne-  
138 Ne+ Neon atom cation ne+  
139 Ar Argon atom ar  
140 Ar- Argon atom anion ar-  
141 Ar+ Argon atom cation ar+  
142 Fe Iron atom fe  
143 Xe Xenon atom xe  
144 NeH neon hydrogen neh  
145 NeH+ neon hydrogen cation neh+  
146 XeH+ Xenon, protonated xeh+  
147 Co Cobalt atom cobalt  
148 Ni Nickel atom ni  
149 Li2 Lithium diatomic li2  
150 Li2- lithium diatomic anion li2-  
151 NaLi- lithium sodium anion lina-  
152 NaLi+ lithium sodium cation lina+  
153 LiK Lithium Potassium lik  
154 NaK Sodium Potassium nak  
155 NaK+ Sodium Potassium diatomic cation nak+  
156 K2 Potassium diatomic k2  
157 Cu2 Copper diatomic cu2  
158 LiBe Lithium Beryllium libe  
159 LiMg Lithium magnesium limg  
160 NaBe Sodium Beryllium nabe  
161 NaMg Sodium Magnesium namg  
162 Be2 Beryllium diatomic be2  
163 Be2- Beryllium diatomic anion be2-  
164 Be2+ Beryllium diatomic cation be2+  
165 Mg2 Magnesium diatomic mg2  
166 Mg2- magnesium diatomic anion mg2-  
167 Mg2+ magnesium diatomic cation mg2+  
168 Ca2 Calcium diatomic ca2  
169 B2 Boron diatomic b2  
170 B2- Boron diatomic anion b2-  
171 Al2 Aluminum diatomic al2  
172 Al2- aluminum diatomic anion al2-  
173 Al2+ aluminum diatomic cation al2+  
174 LiBH4 Lithium borohydride libh4  
175 Al2H6 dialane al2h6  
176 LiC Lithium Carbide lic  
177 CaC Calcium monocarbide cac  
178 BC boron monocarbide bc  
179 BC- boron monocarbide anion bc-  
180 BC+ boron monocarbide cation bc+  
181 C2- carbon diatomic anion c2-  
182 SiC silicon monocarbide sic  
183 SiC- silicon monocarbide anion sic-  
184 SiC+ silicon monocarbide cation sic+  
185 Si2 Silicon diatomic si2  
186 Si2- silcon diatomic anion si2-  
187 Si2+ silcon diatomic cation si2+  
188 Ge2 Germanium diatomic ge2  
189 C2H+ Ethynyl cation c2h+  
190 ZnCH2 Zinc methylene znch2  
191 C2H2 Acetylene c2h2  
192 CCH2 vinylidene vinylidene  
193 CuCH3 monomethyl copper cuch3  
194 ZnCH3 Zinc monomethyl znch3  
195 C2H4 Ethylene c2h4  
196 C2H4- Ethylene anion c2h4-  
197 CH3CH methylmethylene ch3ch  
198 CH2SiH2 silaethylene ch2sih2  
199 C2H5- Ethyl anion c2h5-  
200 C2H5+ Ethyl cation c2h5+  
201 C2H6+ ethane cation c2h6+  
202 GeH3CH3 methyl germane geh3ch3  
203 C2H7+ Ethane, protonated c2h7+  
204 LiN+ Lithium Nitride cation lin+  
205 BeN Beryllium mononitride ben  
206 BeN- Beryllium mononitride anion ben-  
207 BN- boron nitride anion bn-  
208 AlN- aluminum mononitride anion aln-  
209 AlN+ aluminum mononitride cation aln+  
210 GaN Gallium mononitride gan  
211 BN+ boron nitride cation bn+  
212 AlN Aluminum nitride aln  
213 CN+ Cyano cation cn+  
214 CP Carbon monophosphide cp  
215 CP- carbon monophosphide anion cp-  
216 CP+ carbon monophosphide cation cp+  
217 SiN Silicon nitride sin  
218 SiN- silicon mononitride anion sin-  
219 SiN+ silicon mononitride cation sin+  
220 SiP- Silicon monophosphide anion sip-  
221 SiP+ Silicon monophosphide cation sip+  
222 TiN Titanium mononitride tin  
223 PN- phosphorus nitride anion pn-  
224 PN+ phosphorus nitride cation pn+  
225 P2 Phosphorus diatomic p2  
226 P2- phosphorus diatomic anion p2-  
227 P2+ phosphorus diatomic cation p2+  
228 AsN Arsenic mononitride asn  
229 AsP Arsenic monophosphide asp  
230 SbN Antimony nitride sbn  
231 As2 Arsenic diatomic as2  
232 HNB hydrogen nitrogen boron hnb  
233 HNC hydrogen isocyanide hnc  
234 HCN- Hydrogen cyanide anion hcn-  
235 HCP Phosphaethyne hcp  
236 NNH Dinitrogen monohydride nnh  
237 HPO Hydrogen phosphorus oxide hpo  
238 HPO+ Hydrogen phosphorus oxide cation hpo+  
239 CNH2 Aminomethylidyne radical cnh2  
240 CNH2+ N-protonated hydrogen isocyanide cnh2+  
241 H2CN Dihydrogen cyanide radical h2cn  
242 H2CN+ hydrocyanonium cation h2cn+  
243 HCNH methyleneazane hcnh  
244 HCNH+ N-protonated HCN hcnh+  
245 CH2PH Phosphaethene ch3p  
246 P2H4 Diphosphine p2h4  
247 CH3PH2 Methyl phosphine ch3ph2  
248 CH3NH3+ protonated methylamine ch3nh3+  
249 NH3NH3 Ammonia Dimer nh3nh3  
250 LiO- lithium oxide anion lio-  
251 LiO+ lithium oxide cation lio+  
252 NaO- sodium oxide anion nao-  
253 NaO+ sodium oxide cation nao+  
254 KO Potassium monoxide ko  
255 KO+ Potassium monoxide cation ko+  
256 CuO Copper Monoxide cuo  
257 BeO beryllium oxide beo  
258 BeO- Beryllium monoxide anion beo-  
259 BeO+ Beryllium monoxide cation beo+  
260 BeS beryllium sulfide bes  
261 MgO magnesium oxide mgo  
262 MgO- magnesium oxide anion mgo-  
263 MgO+ magnesium oxide cation mgo+  
264 CaO Calcium monoxide cao  
265 MgS magnesium sulfide mgs  
266 MgS- magnesium sulfide anion mgs-  
267 MgS+ magnesium sulfide cation mgs+  
268 CaS Calcium sulfide cas  
269 ZnO zinc monoxide zno  
270 ZnS Zinc sulfide zns  
271 BeS- Beryllium monosulfide anion bes-  
272 BeS+ Beryllium monosulfide cation bes+  
273 BO- boron monoxide anion bo-  
274 AlO Aluminum monoxide alo  
275 AlO- Aluminum monoxide anion alo-  
276 AlO+ aluminum monoxide cation alo+  
277 BS boron sulfide bs  
278 BS- boron monosulfide anion bs-  
279 BS+ boron monosulfide cation bs+  
280 AlS Aluminum sulfide als  
281 AlS- aluminum monosulfide anion als-  
282 AlS+ aluminum monosulfide cation als+  
283 BO+ boron monoxide cation bo+  
284 CS carbon monosulfide cs  
285 CS- carbon monosulfide anion cs-  
286 CS+ carbon monosulfide cation cs+  
287 SiO- silicon monoxide anion sio-  
288 SiO+ silicon monoxide cation sio+  
289 SiS- silicon monosulfide anion sis-  
290 SiS+ silicon monosulfide cation sis+  
291 CSe- Carbon monoselenide anion cse-  
292 CSe+ Carbon monoselenide cation cse+  
293 NS- nitrogen sulfide anion ns-  
294 NS+ nitrogen sulfide cation ns+  
295 PO- phosphorus monoxide anion po-  
296 PO+ phosphorus monoxide cation po+  
297 PS- phosphorus monosulfide anion ps-  
298 PS+ phosphorus monosulfide cation ps+  
299 AsO Arsenic monoxide aso  
300 O2+ diatomic oxygen cation o2+  
301 SO- sulfur monoxide anion so-  
302 S2- sulfur diatomic anion s2-  
303 S2+ sulfur diatomic cation s2+  
304 SeO- selenium monoxide anion seo-  
305 SeO+ selenium monoxide cation seo+  
306 SeS Selenium monosulfide ses  
307 SeS- selenium monosulfide anion ses-  
308 SeS+ selenium monosulfide cation ses+  
309 TeO Tellurium monoxide teo  
310 Se2- selenium diatomic anion se2-  
311 Se2+ selenium diatomic cation se2+  
312 Te2 Tellurium diatomic te2  
313 NaOH sodium hydroxide naoh  
314 KOH Potassium hydroxide koh  
315 MgOH magnesium hydroxide mgoh  
316 CaOH Calcium monohydroxide caoh  
317 HCS Thioformyl radical hcs  
318 HCS- Thioformyl anion hcs-  
319 HCS+ Thioformyl cation hcs+  
320 HNO- Nitrosyl hydride anion hno-  
321 HNS Sulfur imide hns  
322 HNS- Sulfur imide anion hns-  
323 HO2- Hydroperoxy anion ho2-  
324 HS2 Thiosulfeno radical hs2  
325 H2CO Formaldehyde h2co  
326 HOCH hydroxycarbene hoch  
327 H2O2+ Hydrogen peroxide cation h2o2+  
328 CH3O Methoxy radical ch3o  
329 CH3S thiomethoxy ch3s  
330 H2CSH+ Thioformaldehyde, protonated h2csh+  
331 NH3O Ammonia Oxide nh3o  
332 H2POH Phosphinous acid h2poh  
333 H3PO Phosphine oxide h3po  
334 NH2SH Thiohydroxylamine nh2sh  
335 NH3S sulfidoazane nh3s  
336 H3O2+ hydrogen peroxide, protonated h3o2+  
337 CH3SeH Methane selenol ch3seh  
338 CH3OH2+ Methanol, protonated ch3oh2+  
339 CH3SH2+ protonated methylsulfide ch3sh2+  
340 H2ONH3 Water Ammonia Dimer h2onh3  
341 LiCl- lithium chloride anion licl-  
342 LiCl+ lithium chloride cation licl+  
343 NaF- sodium fluoride anion naf-  
344 KF Potassium Fluoride kf  
345 NaCl- sodium chloride anion nacl-  
346 KCl Potassium Chloride kcl  
347 CuF Copper monofluoride cuf  
348 LiBr- lithium bromide anion libr-  
349 LiBr+ lithium bromide cation libr+  
350 CuCl Copper monochloride cucl  
351 NaBr Sodium Bromide nabr  
352 NaBr- sodium bromide anion nabr-  
353 NaBr+ sodium bromide cation nabr+  
354 KBr Potassium Bromide kbr  
355 LiI Lithium Iodide lii  
356 NaI Sodium Iodide nai  
357 KI Potassium Iodide ki  
358 LiF- lithium fluoride anion lif-  
359 BeF Beryllium monofluoride bef  
360 BeF- Beryllium monofluoride anion bef-  
361 BeF+ Beryllium monofluoride cation bef+  
362 BeCl beryllium monochloride becl  
363 MgF Magnesium monofluoride mgf  
364 MgF- magnesium fluoride anion mgf-  
365 CaF Calcium monofluoride caf  
366 MgCl magnesium monochloride mgcl  
367 MgCl- magnesium monochloride anion mgcl-  
368 MgCl+ magnesium monochloride cation mgcl+  
369 CaCl calcium monochloride cacl  
370 TiCl Titanium Monochloride ticl  
371 ZnF- Zinc monofluoride anion znf-  
372 ZnF+ Zinc monofluoride cation znf+  
373 ZnCl Zinc monochloride zncl  
374 CaBr Calcium monobromide cabr  
375 BeCl- beryllium monochloride anion becl-  
376 BeCl+ beryllium monochloride cation becl+  
377 BF- Boron monofluoride anion bf-  
378 BF+ Boron monofluoride cation bf+  
379 AlF- Aluminum monofluoride anion alf-  
380 AlF+ Aluminum monofluoride cation alf+  
381 BCl boron monochloride bcl  
382 BCl- boron monochloride anion bcl-  
383 BCl+ boron monochloride cation bcl+  
384 AlCl Aluminum monochloride alcl  
385 AlCl- aluminum monochloride anion alcl-  
386 AlCl+ aluminum monochloride cation alcl+  
387 BBr Boron monobromide bbr  
388 AlI Aluminum monoiodide ali  
389 CF- carbon monofluoride anion cf-  
390 CF+ carbon monofluoride cation cf+  
391 CCl carbon monochloride ccl  
392 CCl- carbon monochloride anion ccl-  
393 CCl+ carbon monochloride cation ccl+  
394 SiF- silicon monofluoride anion sif-  
395 SiCl- silicon monochloride anion sicl-  
396 SiCl+ silicon monochloride cation sicl+  
397 SiBr Silicon monobromide sibr  
398 NF nitrogen fluoride nf  
399 NF- nitrogen monofluorine anion nf-  
400 NF+ nitrogen monofluoirde cation nf+  
401 NCl- nitrogen monochloride anion ncl-  
402 NCl+ nitrogen monochloride cation ncl+  
403 PF phosphorus monofluoride pf  
404 PF- phosphorus monofluoride anion pf-  
405 PF+ phosphorus monofluoride cation pf+  
406 PCl phosphorus chloride pcl  
407 PCl- phosphorus monochloride anion pcl-  
408 PCl+ phosphorus monochloride cation pcl+  
409 NBr nitrogen monobromide nbr  
410 SbF Antimony monofluoride sbf  
411 SbCl Antimony monochloride sbcl  
412 FO- flourine oxide anion fo-  
413 FO+ fluorine monoxide cation fo+  
414 ClO- chlorine monoxide anion clo-  
415 SF- sulfur monofluoride anion sf-  
416 SCl sulfur monochloride scl  
417 SCl- sulfur monochloride anion scl-  
418 BrO- Bromine monoxide anion bro-  
419 IO Iodine monoxide io  
420 ClF- clorine monofluoride anion clf-  
421 Cl2- chlorine diatomic anion cl2-  
422 BrF- bromine fluoride anion brf-  
423 BrF+ bromine fluoride cation brf+  
424 BrCl- bromine chloride anion brcl-  
425 BrCl+ bromine chloride cation brcl+  
426 IF Iodine monofluoride if  
427 ICl Iodine monochloride icl  
428 IBr Iodine monobromide ibr  
429 I2 Iodine diatomic i2  
430 I2+ Iodine diatomic cation i2+  
431 HCCl Chloromethylene hccl  
432 CHBr bromomethylene chbr  
433 DOCl Hypochlorous acid-d docl  
434 HOBr Hypobromous acid hobr  
435 HOBr+ Hypobromous acid cation hobr+  
436 HOI Hypoiodous acid hoi  
437 FHF Hydrogen difluoride fhf  
438 FHF- Hydrogen difluoride anion fhf-  
439 NH2F monofluoroamine nh2f  
440 H2F2 Hydrogen fluoride dimer h2f2  
441 CD3F methylfluoride-d3 cd3f  
442 CD3Cl methyl chloride d3 cd3cl  
443 SiH3Br bromosilane sih3br  
444 CH3I methyl iodide ch3i  
445 SiH3I Silyl Iodide sih3i  
446 Ne2 Neon diatomic ne2  
447 C3H3 cyclopropenyl radical cpr  
448 C3H3 Propargyl radical propargyl  
449 C3H3- Propargyl anion c3h3-  
450 C3H3+ cyclopropenyl cation cpr+  
451 C3H3+ Propargyl cation c3h3+  
452 C3H5 Allyl radical allyl  
453 C3H5+ Allyl cation allyl+  
454 CH3CHCH 1-propenyl radical ch3chch  
455 Zn(CH3)2 dimethyl zinc dmz  
456 C3H6 Cyclopropane c3h6  
457 C3H7+ cyclopropane, protonated c3h7+  
458 CH3CHCH3 Isopropyl radical isopropyl  
459 SiH2(CH3)2 dimethylsilane dms  
460 KCN Potassium cyanide kcn  
461 CN2 3H-Diazirin-3-ylidene cn2  
462 NCN Cyanoimidogen ncn  
463 N3- azide anion n3-  
464 HCCN cyanomethylene hccn  
465 HCNN diazomethyl radical hcnn  
466 CH2N2 diazirine ch2n2  
467 CH2NN diazomethane ch2nn  
468 NH2CN cyanamide cyanamide  
469 CH3CN- acetonitrile anion ch3cn-  
470 CH3CN+ Acetonitrile cation ch3cn+  
471 CH3NC methyl isocyanide ch3nc  
472 CHNCH2 2H-Azirine c157164  
473 CHNHCH 1H-Azirine chnhch  
474 H2CCNH Ethenimine ch2cnh  
475 H2CNCH methyleneaminomethylene ch2nch  
476 HCCNH2 Ethynamine hccnh2  
477 NCNH3+ Cyanamide, protonated ncnh3+  
478 CH2CHNH vinylazine ch2chnh  
479 CH3CHN methylmethaniminyl radical ch3chn  
480 NHCHNH2 aminomethanimine cn2h4  
481 C2H5N Aziridine c2h5n  
482 CH2CHNH2 aminoethene aminoethene  
483 CH2NCH3 N-methylmethanimine nmm  
484 CH3CHNH ethanimine ethanimine  
485 NH2BHNH2 diaminoborane nh2bhnh2  
486 C2H5NH+ Protonated Aziridine c2h5nh+  
487 NH2CH2NH2 diaminomethane nh2ch2nh2  
488 CH3NHCH3 Dimethylamine ch3nhch3  
489 CH3PHCH3 dimethylphosphine ch3phch3  
490 NH2CH2NH3+ diaminoethane, protonated pdam  
491 (CH3)2NH2+ dimethylammonium cation dmam  
492 CH3CH2NH3+ ethylamine, protonated pea  
493 Li2O+ dilithium oxide cation li2o+  
494 CNO- fulminate cno-  
495 NCO- cyanate nco-  
496 SCN thiocyanato radical scn  
497 SCN- thiocyanide anion scn-  
498 BO2 Boron dioxide bo2  
499 BO2- Boron dioxide anion bo2-  
500 BO2+ Boron dioxide cation bo2+  
501 N2O+ Nitrous oxide cation n2o+  
502 NNS Nitrogen sulfide nns  
503 PPO Phosphorus oxide phosphide ppo  
504 CO2 Carbon dioxide co2  
505 CO2- Carbon dioxide anion co2-  
506 CO2+ Carbon dioxide cation co2+  
507 OCS+ Carbonyl sulfide cation cos+  
508 SiO2 silicon dioxide sio2  
509 CS2- Carbon disulfide anion cs2-  
510 CS2+ Carbon disulfide cation cs2+  
511 SiS2 Silicon disulfide sis2  
512 GeS2 Germanium disulfide ges2  
513 CSe2 Carbon diselenide cse2  
514 SCTe Carbon sulfide Telluride scte  
515 NO2- Nitrogen dioxide anion no2-  
516 PO2 Phosphorus dioxide po2  
517 PO2- Phosphorus dioxide anion po2-  
518 PO2+ Phosphorus dioxide cation po2+  
519 AsO2 Aresenic dioxide aso2  
520 O3- Ozone anion o3-  
521 O3+ Ozone cation o3+  
522 SO2- Sulfur dioxide anion so2-  
523 SO2+ Sulfur dioxide cation so2+  
524 S3- Sulfur trimer anion s3-  
525 TeO2 Tellurium Dioxide teo2  
526 CS2H+ Carbon disulfide, protonated cs2h+  
527 HCNO fulminic acid hcno  
528 HNCO Isocyanic acid hnco  
529 HOCN cyanic acid hocn  
530 HNCS Isothiocyanic acid hncs  
531 HSCN thiocyanic acid hscn  
532 HCO2- formate anion hco2-  
533 HNNO nitrosoazane hnno  
534 HNNO+ Nitrous oxide, N-protonated hnno+  
535 NNOH+ Nitrous Oxide, O-protonated nnoh+  
536 HCOO formate neutral radical hcoo  
537 HOCO+ Hydrocarboxyl cation hoco+  
538 HNO2 Nitrous acid hno2  
539 HNO2+ nitrous acid cation hno2+  
540 SO2H+ protonated sulfur dioxide so2h+  
541 CH2CO+ Ketene cation ch2co+  
542 HCCOH ethynol hccoh  
543 Mg(OH)2 Magnesium dihydroxide h2mgo2  
544 CH2O2 Dioxirane diox  
545 H2O3 Hydrogen trioxide h2o3  
546 HSSSH trisulfane hsssh  
547 NaOCH3 Sodium methoxide naoch3  
548 CH2CHO Vinyloxy radical ch2cho  
549 CH3CO Acetyl radical ch3co  
550 CH3CO- Acetyl anion ch3co-  
551 CH3CO+ acetyl cation ch3co+  
552 CH2NOH formaldoxime ch2noh  
553 CH3NO nitrosomethane ch3no  
554 CHONH2 formamide formamide  
555 CHSNH2 thioformamide chsnh2  
556 CH2OOH CH2OOH radical ch2ooh  
557 CH3OO methylperoxy radical ch3oo  
558 CH3OO- methylperoxy anion ch3oo-  
559 CH3OO+ methylperoxy cation ch3oo+  
560 CH2CHOH ethenol ch2choh  
561 CH3CHS Thioacetaldehyde ch3chs  
562 H2CONH2+ protonated formamide h2conh2+  
563 NH3CHO+ Formamide, N-Protonated nh3cho+  
564 CH2(OH)2 methanediol ch2o2h2  
565 CH3OOH Methyl peroxide ch3ooh  
566 H2OH2CO water formaldehyde dimer h2oh2co  
567 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
568 CH3CH2O Ethoxy radical ethoxy  
569 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
570 CH3CHOH+ acetaldehyde, protonated ch3choh+  
571 CH3OCH2 methoxymethyl radical ch3och2  
572 NH2CH2OH aminomethanol nh2ch2oh  
573 CH3CH2OH Ethanol etoh  
574 CH3OCH3 Dimethyl ether meome  
575 CH3SeCH3 dimethylselenide dmse  
576 CH3OHH2O methanol water dimer ch3ohh2o  
577 H2OCH3OH water methanol dimer h2och3oh  
578 CuF2 Copper difluoride cuf2  
579 ZnF2 Zinc difluoride znf2  
580 FCN Cyanogen fluoride fcn  
581 ClCN chlorocyanogen clcn  
582 ICN Cyanogen iodide icn  
583 BeF2 Beryllium fluoride bef2  
584 MgF2 Magnesium fluoride mgf2  
585 BeCl2 Beryllium chloride becl2  
586 MgCl2 Magnesium dichloride mgcl2  
587 CaCl2 Calcium Chloride cacl2  
588 ZnCl2 Zinc dichloride zncl2  
589 CaBr2 Calcium dibromide cabr2  
590 CaF2 Calcium difluoride caf2  
591 BrNO Nitrosyl bromide brno  
592 INO Nitrosyl iodide ino  
593 CF2- Difluoromethylene anion cf2-  
594 CF2+ Difluoromethylene cation cf2+  
595 SiF2+ Silicon difluoride cation sif2+  
596 CCl2 dichloromethylene ccl2  
597 CCl2- dichloromethylene anion ccl2-  
598 CCl2+ dichloromethylene cation ccl2+  
599 SiCl2 Dichlorosilylene sicl2  
600 GeF2 Germanium difluoride gef2  
601 CBr2 dibromomethylene cbr2  
602 FOO Dioxygen monofluoride radical foo  
603 ClOO chloroperoxy radical cloo  
604 ClOO+ chloroperoxy cation cloo+  
605 OClO+ Chlorine dioxide cation oclo+  
606 ClS2 Sulfur chloride cls2  
607 NF2 Difluoroamino radical nf2  
608 NF2+ Difluoroamino cation nf2+  
609 F2O Difluorine monoxide f2o  
610 SF2- sulfur difluoride anion sf2-  
611 SF2+ sulfur difluoride cation sf2+  
612 Cl2O Dichlorine monoxide cl2o  
613 SCl2 Sulfur dichloride scl2  
614 BrOCl Bromine hypochlorite brocl  
615 BrOBr Bromine oxide brobr  
616 F3- trifluoride anion f3-  
617 Cl3- trichloride anion cl3-  
618 I3- triiodide i3-  
619 HCCF+ fluoroacetylene cation hccf+  
620 HCCCl Chloroacetylene hcccl  
621 HCCBr bromoacetylene hccbr  
622 HFCO formyl fluoride hfco  
623 COHCl Formyl chloride cohcl  
624 COHBr Formyl bromide cohbr  
625 BHF2 Difluoroborane bhf2  
626 BHCl2 Borane, dichloro- bhcl2  
627 CHCl2 dichloromethyl radical chcl2  
628 CHBr2 dibromomethyl radical chbr2  
629 HOClO Chlorous acid hoclo  
630 CH2FCl fluorochloromethane ch2fcl  
631 CH2BrF Methane, bromofluoro- ch2fbr  
632 CH2FI fluoroiodomethane ch2fi  
633 CH2ClI chloroiodomethane ch2cli  
634 CH2BrI bromoiodomethane ch2bri  
635 CH2I2 Diiodomethane ch2i2  
636 SiH2Cl2 dichlorosilane sih2cl2  
637 CH2CHF+ fluoroethene cation ch2chf+  
638 C2H3Cl Ethene, chloro- ch2chcl  
639 C2H3Br vinyl bromide c2h3br  
640 C2H3I Vinyl iodide c2h3i  
641 CH3OCl methyl hypochlorite ch3ocl  
642 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
643 CHClCH3 1-chloroethyl radical chclch3  
644 C2H5F fluoroethane c2h5f  
645 CH3CH2Cl Ethyl chloride c2h5cl  
646 CH3SiFH2 fluoromethylsilane ch3sifh2  
647 C2H5I Ethyl iodide c2h5i  
648 KrF2 Krypton difluoride krf2  
649 XeF2 Xenon difluoride xef2  
650 B4H10 Tetraborane(10) b4h10  
651 C4+ Carbon tetramer cation c4+  
652 C4H2 Diacetylene c4h2  
653 C4H2+ diacetlyene cation c4h2+  
654 C2H3CCH 1-Buten-3-yne c2h3cch  
655 C4H4 cyclobutadiene cbd  
656 H2CCCCH2 Butatriene h2cccch2  
657 C4H6 Cyclobutene c822355  
658 C4H6 Methylenecyclopropane c6142730  
659 CH2CCHCH3 1,2-Butadiene butad12  
660 CH2CHCHCH2 1,3-Butadiene c106990  
661 CH3CCCH3 2-Butyne c503173  
662 CHCCH2CH3 1-Butyne c107006  
663 CH3CHCHCH2 methylallyl radical c4h7  
664 C4H8 methylcyclopropane mcp  
665 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
666 CH2CHCH2CH3 1-Butene bute1  
667 CH3CHCHCH3 2-Butene, (E)- bute2e  
668 CH3CHCHCH3 2-Butene, (Z)- bute2z  
669 B(CH3)3 trimethylborane bme3  
670 Al(CH3)3 trimethyl aluminum tma  
671 C(CH3)3 Tert-butyl radical tbutyl  
672 CH2CH(CH3)2 Isobutyl radical isobutyl  
673 CH3CHCH2CH3 2-Butyl radical butyl2  
674 CH3CH(CH3)CH3 Isobutane isobutane  
675 SiH(CH3)3 trimethylsilane trimsi  
676 C2N2+ Cyanogen cation c2n2+  
677 P4 Phosphorus tetramer p4  
678 As4 Arsenic tetramer as4  
679 HCCCN Cyanoacetylene hcccn  
680 C3H3N acrylonitrile ch2chcn  
681 C3H3N+ acrylonitrile cation ch2chcn+  
682 CH3N3 methyl azide ch3n3  
683 NH2CCNH2 Diaminoacetylene daa  
684 NH2CH2CN Aminoacetonitrile aan  
685 CH3NHN2+ methyl azide, protonated ch3nhn2+  
686 CH5N3 Guanidine guanidine  
687 C4H6 Bicyclo[1.1.0]butane c157335  
688 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
689 H2NCHCHNH2 diaminoethylene dae  
690 CH6N3+ guanidinium ch6n3+  
691 C3H7N Cyclopropylamine cpram  
692 CH7N3 triaminomethane tam  
693 C3H7N Azetidine azet  
694 C4H8 cyclobutane cbutane  
695 C2H8N2 Ethylenediamine ethdiam  
696 CH3NHNHCH3 dimethyl hydrazine dmh  
697 CH3CH(NH2)CH3 2-Propanamine pram2  
698 N(CH3)3 Trimethylamine trimeam  
699 NH2CH2CH2CH3 1-Propanamine pram1  
700 P(CH3)3 trimethylphosphine tmp  
701 N(SiH3)3 trisilylamine tsa  
702 As(CH3)3 trimethyl arsine tmas  
703 (CH3)3NH+ protonated trimethyl amine ptma  
704 C3H7NH3+ n-propylamine, protonated c3h7nh2  
705 Li2O2 dilithium dioxide li2o2  
706 K2O2 dipotassium dioxide k2o2  
707 B2O2 Diboron dioxide b2o2  
708 CO3 Carbon trioxide co3  
709 CO3-- carbonate co3--  
710 CS3-- Carbonotrithioate cs3--  
711 NO3 Nitrogen trioxide no3  
712 NO3+ nitrogen trioxide cation no3+  
713 SO3- Sulfur trioxide anion so3-  
714 SO3+ Sulfur trioxide cation so3+  
715 SeO3 selenium trioxide seo3  
716 TeO3 Tellurium trioxide teo3  
717 HCO3- bicarbonate anion hco3-  
718 HNO3 Nitric acid hno3  
719 HSO3 Hydroxysulfonyl radical hso3  
720 NH2NO2 nitramide nh2no2  
721 C2H2CO cyclopropenone c2h2co  
722 HCCCHO 2-propynal hcccho  
723 C2H2O2+ Ethanedial cation c2h2o2+  
724 H2CO3 Carbonic acid h2co3  
725 H2CS3 thiocarbonic acid h2cs3  
726 H2NO3+ Nitric Acid, Protonated h2no3+  
727 H2SO3 Sulfurous acid h2so3  
728 C2H3NO Nitrosoethylene c2h3no  
729 HOCH2CN cyanomethanol hoch2cn  
730 CH3COO- acetate anion ch3coo-  
731 CH3ONO Methyl nitrite ch3ono  
732 NH2COOH Carbamic acid nh2cooh  
733 H3BO3 Boric acid h3bo3  
734 H3CO3+ carbonic acid, protonated h3co3+  
735 C3H4O 2-Propyn-1-ol c107197  
736 C3H4O allenol c9000071  
737 C3H4O Cyclopropanone cpone  
738 C3H4O Methylketene c6004440  
739 NH2CONH2 Urea urea  
740 NH2CONH2+ Urea cation urea+  
741 NH2CSNH2 Thiourea thiourea  
742 C2H4O2 1,3-dioxetane c2h4o2  
743 CH3COOH Acetic acid ch3cooh  
744 CH3OCHO methyl formate ch3ocho  
745 CHOCH2OH hydroxy acetaldehyde haa  
746 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
747 NH3COOH+ protonated Carbamic acid nh3cooh+  
748 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
749 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
750 HCOOHH2O Formic acid water dimer hcoohh2o  
751 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
752 CH2C(OH)NH2 1-amino vinyl alchohol ava  
753 CH3C(OH)=NH Ethaninidic acid eia  
754 CH3CHNOH Acetaldoxime acetaldoxime  
755 CH3CONH2 Acetamide acetamide  
756 HCONHCH3 N-methylformamide nmfa  
757 CH3CSNH2 Ethanethioamide ch3csnh2  
758 CH5N2O+ urea, N-protonated ch4n2o+  
759 H2NCOHNH2+ urea, protonated ureah+  
760 C2H5OO ethylperoxy radical c2h5oo  
761 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
762 C3H5OH Cyclopropanol cproh  
763 C3H6O 2-Propen-1-ol c107186  
764 C3H6O Acetone enol enol  
765 C3H6O Oxetane oxetane  
766 C3H6O Propylene oxide prox  
767 CH3CH2CHO Propanal propanal  
768 CH3COCH3 Acetone acetone  
769 CH3COCH3- acetone anion ch3coch3-  
770 C3H6S Thietane thietane  
771 C3H6S Thiirane, methyl- methiirane  
772 CH3CSCH3 Thioacetone ch3csch3  
773 C2H6O2 1,2-Ethanediol ethdiol  
774 CH3OOCH3 dimethylperoxide dmp  
775 CH3SOCH3 Dimethyl sulfoxide dmso  
776 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
777 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
778 CH3COHCH3+ acetone, protonated acetoneh+  
779 HOCH2CH2NH2 monoethanolamine mea  
780 CH3CHOHCH3 Isopropyl alcohol isoproh  
781 CH3OC2H5 Ethane, methoxy- etome  
782 C3H7SH 1-Propanethiol prsh  
783 CH3CHSHCH3 2-Propanethiol isoprsh  
784 CH3SCH2CH3 Ethane, (methylthio)- etsme  
785 H2OCH3OCH3 water dimethylether dimer h2och3och3  
786 Na2F2 Sodium Fluoride Dimer na2f2  
787 Na2Cl2 Disodium dichloride na2cl2  
788 C2F2 difluoroacetylene c2f2  
789 C2Cl2 dichloroacetylene c2cl2  
790 C2Cl2+ dichloroacetylene cation c2cl2+  
791 FNO2 Nitryl fluoride fno2  
792 FONO Nitrosyl hypofluorite fono  
793 ClNO2 Nitryl chloride clno2  
794 ClONO chlorine nitrite clono  
795 BrONO Bromine nitrite brono  
796 N2F2 (Z)-Difluorodiazene n2f2_z  
797 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
798 COFCl Carbonic chloride fluoride cofcl  
799 CCl2O Phosgene cl2co  
800 Cl2CS Thiophosgene cl2cs  
801 COBr2 Carbonic dibromide cobr2  
802 BF3 Borane, trifluoro- bf3  
803 BF3- Borane, trifluoro- anion bf3-  
804 AlF3 Aluminum trifluoride alf3  
805 BClF2 Chlorodifluoroborane bclf2  
806 AlF2Cl Aluminum chloride difluoride alclf2  
807 ScF3 Scandium trifluoride ScF3  
808 AlFCl2 Aluminum dichloride fluoride alcl2f  
809 AlCl3 Aluminum trichloride alcl3  
810 GaCl3 Gallium trichloride gacl3  
811 BBr3 Boron tribromide bbr3  
812 AlBr3 Aluminum Bromide albr3  
813 ClO3 Chlorine trioxide clo3  
814 ClO3- chlorate anion clo3-  
815 BrO3- Bromate anion bro3-  
816 CF3 Trifluoromethyl radical cf3  
817 CF3+ Trifluoromethyl cation cf3+  
818 SiF3 Silicon trifluoride radical sif3  
819 SiF3+ Silicon trifluoride cation sif3+  
820 CCl3 Trichloromethyl radical ccl3  
821 CCl3- Trichloromethyl anion ccl3-  
822 CCl3+ Trichloromethyl cation ccl3+  
823 SiCl3 trichlorosilyl radical sicl3  
824 SiCl3+ trichlorosilyl cation sicl3+  
825 CBr3 tribromomethyl radical cbr3  
826 FOOF Perfluoroperoxide foof  
827 F2SO Thionyl Fluoride f2so  
828 ClOOCl Dichlorine dioxide cloocl  
829 FSSF Difluorodisulfane fssf  
830 S2F2 Thio-thionyl fluoride s2f2  
831 SOCl2 thionyl chloride socl2  
832 SeOCl2 selenium oxychloride seocl2  
833 NF3- Nitrogen trifluoride anion nf3-  
834 NF3+ Nitrogen trifluoride cation nf3+  
835 PF3 Phosphorus trifluoride pf3  
836 NCl3 nitrogen trichloride ncl3  
837 AsF3 Arsenic trifluoride asf3  
838 PCl3 Phosphorus trichloride pcl3  
839 SbF3 Antimony Trifluoride sbf3  
840 AsCl3 Arsenous trichloride ascl3  
841 SbCl3 Antimony Trichloride sbcl3  
842 NBr3 Nitrogen Tribromide nbr3  
843 PBr3 Phosphorus tribromide pbr3  
844 AsBr3 Arsenic tribromide asbr3  
845 NI3 Nitrogen triiodide ni3  
846 PI3 Phosphorus triiodide pi3  
847 ClSSCl Disulfur dichloride s2cl2  
848 SF3 Sulfur trifluoride sf3  
849 ClF3 Chlorine trifluoride clf3  
850 BrF3 Bromine trifluoride brf3  
851 IF3 iodone trifluoride if3  
852 CHF2Cl difluorochloromethane chf2cl  
853 CHFCl2 fluorodichloromethane chfcl2  
854 CDCl3 trichloromethane-d cdcl3  
855 CHCl3 Chloroform chcl3  
856 SiHCl3 Trichlorosilane sihcl3  
857 CHFClBr fluorochlorobromomethane chfclbr  
858 CHBrCl2 Methane, bromodichloro- chbrcl2  
859 CHF2I difluoroiodomethane chf2i  
860 CHBr2F dibromofluoromethane chbr2f  
861 CHFClI fluorochloroiodomethane chfcli  
862 CHCl2I dichloroiodomethane chcl2i  
863 CHClBr2 Methane, dibromochloro- chclbr2  
864 CHBr3 bromoform chbr3  
865 CHI3 Iodoform chi3  
866 NF3H+ protonated nitrogen trifluoride nf3h+  
867 AsF3H+ Arsenic trifluoride, protonated asf3h+  
868 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
869 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
870 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
871 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
872 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
873 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
874 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
875 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
876 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
877 C2H2Br2 1,1-dibromoethene c2h2br2  
878 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
879 CH2FCHO Fluoroacetaldehyde ch2fcho  
880 CH3COF Acetyl fluoride ch3cof  
881 CH2ClCHO chloroacetaldehyde ch2clcho  
882 CH3COCl Acetyl Chloride ch3cocl  
883 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
884 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
885 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
886 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
887 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
888 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
889 CH2CFCH3 2-fluoropropene 2fpro  
890 CH2CHCH2F Allyl Fluoride allylf  
891 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
892 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
893 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
894 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
895 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
896 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
897 CH2FCH2CH3 1-Fluoropropane prf1  
898 CH3CHFCH3 2-Fluoropropane prf2  
899 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
900 CH3CHClCH3 Propane, 2-chloro- prcl2  
901 CH3CH2CH2Br n-propyl bromide prbr  
902 CH3CHBrCH3 i-propyl bromide iprbr  
903 C3H9O+ trimethyl oxonium cation c3h9o+  
904 B5H9 pentaborane9 b5h9  
905 C5H4 pentatetraene ptrene  
906 C5H5 cyclopentadienyl radical c5h5  
907 C5H5- cylopentadienyl anion c5h5-  
908 C5H6 1,3-Cyclopentadiene c542927  
909 C5H6 1-Buten-3-yne, 2-methyl- c78808  
910 C5H6 3-Penten-1-yne, (E)- c2004695  
911 C5H6 3-Penten-1-yne, (Z)- c1574409  
912 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
913 C5H6 Cyclopropylacetylene c6746947  
914 C5H6 Propellane propellane  
915 C5H7 1,3-pentadienyl radical pdyl  
916 C5H7 cyclopentenyl radical cpyl  
917 C5H8 1,2-Butadiene, 3-methyl- c598254  
918 C5H8 1,2-Pentadiene c591957  
919 C5H8 1,3-Butadiene, 2-methyl- c78795  
920 C5H8 1,3-Pentadiene, (E)- c2004708  
921 C5H8 1,3-Pentadiene, (Z)- c1574410  
922 C5H8 1,4-Pentadiene c591935  
923 C5H8 1-pentyne a1pentyne  
924 C5H8 2,3-Pentadiene c591968  
925 C5H8 Cyclobutane, methylene- c1120565  
926 C5H8 Cyclopentene c142290  
927 C5H8 Ethenylcyclopropane c693867  
928 CH3CCCH2CH3 2-Pentyne 2pentyne  
929 C5H10 1-Butene, 2-methyl- c563462  
930 C5H10 2-Butene, 2-methyl- c513359  
931 C5H10 2-Pentene, (E)- c646048  
932 C5H10 2-Pentene, (Z)- c627203  
933 C5H10 Cyclopentane c287923  
934 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
935 CH2CHCH2CH2CH3 1-pentene pentene  
936 C5H11 2-Methylbut-2-yl radical c4348350  
937 C5H12 Butane, 2-methyl- buta2  
938 C5H12 Pentane pentane  
939 C5H12 Propane, 2,2-dimethyl- neopentane  
940 Si(CH3)4 tetramethylsilane tms  
941 N2O3 Dinitrogen trioxide n2o3  
942 C3H2N2 Malononitrile c3h2n2  
943 CH2N4 1H-Tetrazole 1htz  
944 C3H3N2 imidazolyl radical im  
945 C3H3N2- imidizolyl anion im-  
946 C2H3N3 1H-1,2,4-Triazole c288880  
947 C4H4N pyrrolide radical c4h4n  
948 C4H4N- pyrrolide anion c4h4n-  
949 C3H4N2 1H-Imidazole 1himidaz  
950 C3H4N2 1H-Pyrazole 1hpyraz  
951 C3H4N2 2H-Imidazole imid2h  
952 C3H4N2 4H-Imidazole imid4h  
953 C4H5N (E)-2-Butenenitrile c627269  
954 C4H5N (Z)-2-Butenenitrile c1190767  
955 C4H5N 2H-pyrrole pyrrole2  
956 C4H5N 3H-pyrrole pyrrole3  
957 C4H5N Cyclopropanecarbonitrile c5500210  
958 C4H5N Pyrrole pyrrole  
959 CH2CHCH2CN Allylcyanide ch2chch2cn  
960 C4H6N+ pyrrole, alpha-protonated appyr  
961 C4H6N+ pyrrole, beta-protonated bppyr  
962 C4H6N+ pyrrole, protonated ppyr  
963 C3H6N2 3-Aminopropionitrile c151188  
964 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
965 CH3CH2CH2CN Butanenitrile c109740  
966 C5H8 Bicyclo[2.1.0]pentane c185944  
967 C5H8 Spiropentane c157404  
968 C4H9N Cyclobutylamine cbam  
969 C4H9N Pyrrolidine pyrrolidine  
970 C3H10N2 1,2-Diaminopropane diampr12  
971 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
972 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
973 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
974 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
975 NH(C2H5)2 diethylamine dea  
976 NC4H12+ tetramethyl ammonium cation nc4h12+  
977 C3O2+ Carbon suboxide cation c3o2+  
978 MgCO3 Magnesium Carbonate mgco3  
979 BeCO3 Beryllium Carbonate beco3  
980 CaCO3 Calcium Carbonate caco3  
981 ONONO Nitrosyl nitrite onono  
982 PO4--- phosphate po4---  
983 SO4-- sulfate so4--  
984 HOONO2 peroxy nitric acid hoono2  
985 HSO4- bisulfate anion hso4-  
986 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
987 C3H2O2 Propiolic acid c3h2o2  
988 CHOCOOH oxo acetic acid oaa  
989 CHOOCHO diformyl ether choocho  
990 H2SO4 Sulfuric acid h2so4  
991 H2SeO4 Selenic acid h2seo4  
992 C3H3NO Oxazole oxazole  
993 C3H3NS Thiazole thiazole  
994 CH3C(O)OO acetyl peroxy radical ch3coo2  
995 CH3NO3 Methyl nitrate ch3no3  
996 H3PO4 Phosphoric Acid h3po4  
997 C4H4O Furan furan  
998 C4H4O+ Furan cation furan+  
999 CH3COCCH 3-butyn-2-one c1423605  
1000 C4H4S Thiophene furans  
1001 C4H4Se selenophene c4h4se  
1002 C3H4O2 β–Propiolactone beta  
1003 C3H4O2 2-Propenoic acid propenoic2  
1004 C3H4O2 Methyl glyoxal megly  
1005 C3H4O2 propanedial propanedial  
1006 C3H4O2 propenalol propenalol  
1007 HOCHCCHOH allenediol aldiol  
1008 C2H4O3 1,2,3-trioxolane c2h4o3  
1009 C2H4O3 trioxolane124 triox  
1010 HOCH2COOH Hydroxyacetic acid hac  
1011 CH2CHCONH2 Acrylamide c79061  
1012 CH3OCH2CN Methoxyacetonitrile c1738369  
1013 CH5N3S Hydrazinecarbothioamide c79196  
1014 H2NCH2COOH Glycine glycine  
1015 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1016 C4H6O cis-2-butenal butenal2c  
1017 C4H6O Cyclobutanone cbutone  
1018 C4H6O Furan, 2,3-dihydro- furan23h  
1019 C4H6O Furan, 2,5-dihydro- furan25h  
1020 CH2CHOCHCH2 Vinyl ether vinylether  
1021 CHOCHCHCH3 2-Butenal butenal2  
1022 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1023 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1024 CH2CHSCHCH2 Divinyl sulfide divis  
1025 C2H6N2O Urea, methyl- c598505  
1026 C3H6O2 1,3-Dioxolane dioxolane  
1027 CH3CH2COOH Propanoic Acid propanoic  
1028 CH3COOCH3 methyl acetate aame  
1029 HCOOC2H5 Ethyl formate faee  
1030 C2H6O2S Dimethyl sulfone c67710  
1031 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1032 C3H7NO dimethylformamide dmf  
1033 C3H7NO Propanamide propanam  
1034 C2H3OC2H5 Ethene, ethoxy- c109922  
1035 C4H8O Cyclobutanol c2919235  
1036 C4H8O Furan, tetrahydro- thf  
1037 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1038 CH3COCH2CH3 2-Butanone buta2one  
1039 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1040 CHOCH2CH2CH3 Butanal butanal  
1041 C4H8S Thiophene, tetrahydro- tht  
1042 C3H8O2 1,3-Propanediol c504632  
1043 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1044 C3H8O2 Methane, dimethoxy- c109875  
1045 C3H8O2 Propylene glycol c57556  
1046 C3H8S2 1,3-Propanedithiol c109808  
1047 C4H10O 1-Butanol butanol1  
1048 C4H10O 1-Propanol, 2-methyl- c78831  
1049 C4H10O 2-Butanol, (.+/-.)- butanol2  
1050 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1051 C4H10O Ethoxy ethane etoet  
1052 C4H10O Methyl propyl ether meopr  
1053 C4H10O Propane, 2-methoxy- c598538  
1054 C4H10O+ 1-Butanol cation butanol1+  
1055 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1056 C2H5SC2H5 Diethyl sulfide etset  
1057 C4H9SH 1-Butanethiol bush  
1058 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1059 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1060 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1061 FNO3 Fluorine nitrate fno3  
1062 ClONO2 Chlorine nitrate clono2  
1063 BrONO2 Bromine nitrate brono2  
1064 TiCl4 Titanium tetrachloride ticl4  
1065 ClO4- perchlorate anion clo4-  
1066 BF4- tetrafluoroboron anion bf4-  
1067 ClFO3 Perchloryl fluoride clfo3  
1068 SO2F2 Sulfuryl fluoride so2f2  
1069 SO2Cl2 Sulfuryl chloride so2cl2  
1070 F3NO Nitrogen trifluoride oxide f3no  
1071 F3PO Phosphoryl fluoride pf3o  
1072 Cl3PO Phosphoryl chloride pcl3o  
1073 CF4 Carbon tetrafluoride cf4  
1074 CF3Cl Methane, chlorotrifluoro- cf3cl  
1075 SiF4 Silicon tetrafluoride sif4  
1076 TiF4 Titanium tetrafluoride tif4  
1077 CFCl3 Trichloromonofluoromethane cfcl3  
1078 CF3Br Bromotrifluoromethane cf3br  
1079 GeF4 Germanium tetrafluoride gef4  
1080 CCl4 Carbon tetrachloride ccl4  
1081 CCl4+ Carbon tetrachloride cation ccl4+  
1082 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1083 SiCl4 Silane, tetrachloro- sicl4  
1084 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1085 CF3I trifluoroiodomethane cf3i  
1086 CBrCl3 Methane, bromotrichloro- cbrcl3  
1087 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1088 GeCl4 Germanium Tetrachloride gecl4  
1089 CBr2ClF dibromochlorofluoromethane cbr2clf  
1090 CBr2Cl2 dibromodichloromethane cbr2cl2  
1091 CCl3I trichloroiodomethane ccl3i  
1092 CFBr3 fluorotribromomethane cfbr3  
1093 CFClBrI fluorochlorobromoiodomethane cfclbri  
1094 CBr3Cl tribromochloromethane cbr3cl  
1095 CF2I2 difluorodiiodomethane cf2i2  
1096 CBr4 Carbon tetrabromide cbr4  
1097 CCl2I2 dichlorodiiodomethane ccl2i2  
1098 SiBr4 Silicon tetrabromide sibr4  
1099 CBr3I tribromoiododmethane cbr3i  
1100 GeBr4 Germanium tetrabromide gebr4  
1101 CI4 tetraiodomethane ci4  
1102 SiI4 silicon tetraiodide sii4  
1103 ClOF3 Chlorine trifluoride oxide clof3  
1104 SeF4 Selenium tetrafluoride sef4  
1105 SCl4 Sulfur tetrachloride scl4  
1106 C2HF3 Trifluoroethylene c2hf3  
1107 C2HF3+ Trifluoroethylene cation c2hf3+  
1108 CHClCCl2 Trichloroethylene chclccl2  
1109 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1110 HClO4 perchloric acid hclo4  
1111 HSO3F Fluorosulfonic acid hso3f  
1112 CF3OH trifluoromethanol cf3oh  
1113 CHClCCHCl 1,3-dichloroallene chclcchcl  
1114 CHCl2CHO dichloroacetaldehyde chcl2cho  
1115 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1116 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1117 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1118 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1119 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1120 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1121 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1122 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1123 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1124 NH3BCl3 Amminetrichloroboron nh3bcl3  
1125 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1126 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1127 C3H5ClO Oxirane, (chloromethyl)- c106898  
1128 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1129 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1130 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1131 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1132 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1133 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1134 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1135 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1136 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1137 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1138 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1139 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1140 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1141 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1142 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1143 C4H9F 1-fluorobutane butaf1  
1144 CH3CHFCH2CH3 2-fluorobutane butaf2  
1145 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1146 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1147 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1148 XeF4 Xenon tetrafluoride xef4  
1149 C2H2N2O Furazan furazan  
1150 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1151 NH3BF3 Amminetrifluoroboron nh3bf3  
1152 C6H2 hexatriyne c6h2  
1153 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1154 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1155 C6H4 Benzyne benzyne  
1156 C6H5 phenyl phenyl  
1157 C6H5- phenyl anion phenyl-  
1158 C6H6 Prismane prismane  
1159 C6H6 1,2,4,5-Hexatetraene ht1245  
1160 C6H6 2,4-Hexadiyne hexadiyne  
1161 C6H6 3,4-Dimethylenecyclobutene cb34m  
1162 C6H6 Benzene benzene  
1163 C6H6 Benzvalene bv  
1164 C6H6 Dewar Benzene dewar  
1165 C6H6 Hexa-1,5-diene-3-yne hdy153  
1166 C6H6 Trimethylenecycopropane tmcp  
1167 C6H6+ Benzene cation c6h6+  
1168 C6H7+ benzene, protonated c6h7+  
1169 C6H8 (E)-hexa-1,3,5-triene c821078  
1170 C6H8 (E)-hexa-2,3,4-triene c59660650  
1171 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1172 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1173 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1174 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1175 C6H8 3-Methylenecyclopentene c930267  
1176 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1177 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1178 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1179 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1180 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1181 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1182 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1183 C6H10 1,5-Hexadiene c592427  
1184 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1185 C6H10 1-Hexyne hexyne1  
1186 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1187 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1188 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1189 C6H10 2-Hexyne c764352  
1190 C6H10 3-Hexyne hexyne3  
1191 C6H10 cyclohexene cyclohexene  
1192 C6H10 Cyclopentene, 1-methyl- c693890  
1193 C6H10 Cyclopentene, 3-methyl- c1120623  
1194 C6H10 Cyclopentene, 4-methyl- c1759815  
1195 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1196 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1197 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1198 C6H12 (E)-2-Hexene e2hexene  
1199 C6H12 (E)-3-methylpent-2-ene c616126  
1200 C6H12 (E)-hex-3-ene e3hexene  
1201 C6H12 (Z)-3-methylpent-2-ene c922623  
1202 C6H12 (Z)-hex-2-ene z2hexene  
1203 C6H12 (Z)-hex-3-ene z3hexene  
1204 C6H12 2,3-dimethylbut-1-ene c563780  
1205 C6H12 2,3-dimethyl-but-2-ene tmeet  
1206 C6H12 3-methylenepentane c760214  
1207 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1208 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1209 C6H12 Cyclohexane cyclohexane  
1210 C6H12 Cyclopentane, methyl- c96377  
1211 C6H12 Ethylcyclobutane c4806615  
1212 C6H12 hex-1-ene hexene1  
1213 C6H14 Butane, 2,2-dimethyl- buta22  
1214 C6H14 Butane, 2,3-dimethyl- buta23  
1215 C6H14 Hexane hexane  
1216 C6H14 Pentane, 2-methyl- penta2  
1217 C6H14 Pentane, 3-methyl- penta3  
1218 C4N2 2-Butynedinitrile c4n2  
1219 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1220 C4H2N2 Fumaronitrile c4h2n2  
1221 C2H2N4 sym-tetrazine ttz  
1222 C3H3N3 1,3,5-Triazine triazine135  
1223 CH3N5 5-Aminotetrazole c4418615  
1224 C4H4N2 1,3-Diazine diazine13  
1225 C4H4N2 Pyrazine pyrazine  
1226 C4H4N2 Pyridazine pyridazine  
1227 C4H4N2 Succinonitrile c110612  
1228 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1229 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1230 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1231 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1232 C5H5N E-2,4-pentadienenitrile bdcn  
1233 C5H5N Pyridine pyridine  
1234 B3N3H6 borazine borazine  
1235 C6H6 Fulvene fulvene  
1236 C5H6N+ Pyridinium c5h6n  
1237 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1238 C5H7N (E)-2-Pentenenitrile c26294984  
1239 C5H7N (E)-3-Pentenenitrile c16529661  
1240 C5H7N (Z)-2-Pentenenitrile c25899507  
1241 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1242 C5H7N Cyclobutanecarbonitrile c4426113  
1243 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1244 C5H9N Butanenitrile, 2-methyl- c18936179  
1245 C5H9N Pentanenitrile c110598  
1246 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1247 C6H10 Bicyclo[3.1.0]hexane c285585  
1248 C5H11N Cyclopentanamine cypentam  
1249 C5H11N Piperidine piper  
1250 C4H12N2 1,2-Butanediamine c4426486  
1251 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1252 Li2CO3 Lithium Carbonate li2co3  
1253 Na2CO3 Sodium Carbonate na2co3  
1254 C2O4-- oxalate anion c2o4  
1255 MgSO4 Magnesium Sulfate mgso4  
1256 N2O4 Dinitrogen tetroxide n2o4  
1257 C2H2O4 Oxalic Acid oxalic  
1258 C2H3NO3 Oxamic acid oxamic  
1259 C4H4O2 2(5H)-Furanone furanone  
1260 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1261 C2H4N2O2 Oxalamide oxalamide  
1262 C2H4N2S2 Ethanedithioamide c79403  
1263 C2H4CO3 Ethylene carbonate etco3  
1264 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1265 C3H4S3 1,3-Dithiolane-2-thione c822388  
1266 C2H4O4 Formic acid dimer fadimer  
1267 C4H5NO 3-Methylisoxazole isox3m  
1268 C4H5NO Isoxazole, 5-methyl- c5765446  
1269 C4H5NS 4-Methylthiazole c693958  
1270 C2H5NO3 Nitric acid, ethyl ester c625581  
1271 C5H6O 2-methylfuran furan2m  
1272 C5H6O 3-Methylfuran furan3m  
1273 C5H6O Pentadienal pdal  
1274 C5H6S Thiophene, 2-methyl- c554143  
1275 C5H6S Thiophene, 3-methyl- c616444  
1276 C4H6O2 γ–Butyrolactone c96480  
1277 C4H6O2 2,3-Butanedione c431038  
1278 C4H6O2 2-Propenoic acid, methyl ester c96333  
1279 C4H6O2 Crotonic Acid crot  
1280 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1281 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1282 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1283 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1284 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1285 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1286 C4H6OS Vinyl sulfoxide c1115157  
1287 CH6N4S Carbonothioic dihydrazide thiacarb  
1288 C2H6N2O2 (E)-Azodioxymethane c37765154  
1289 C2H6N2O2 Dimethylnitroamine c4164287  
1290 C3H6S3 1,3,5-Trithiane c3h6s3  
1291 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1292 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1293 C4H7NO 2-Pyrrolidinone c616455  
1294 C4H7NO Ethoxyacetonitrile etoaccn  
1295 C4H7NO Methacrylamide c79390  
1296 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1297 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1298 C3H7ONO Propyl nitrite prono  
1299 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1300 CH3CH(NH2)COOH Alanine alanine  
1301 CH3NHCH2COOH Sarcosine sarcosine  
1302 NH2CH2CH2COOH β–alanine betaalanine  
1303 NH2COOC2H5 Urethane urethane  
1304 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1305 C5H8O Cyclopentanone c120923  
1306 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1307 C5H8O Methyl cyclopropyl ketone c765435  
1308 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1309 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1310 NH2CONHC2H5 Urea, ethyl- c625525  
1311 C4H8O2 1,3-Dioxane dioxan13  
1312 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1313 C4H8O2 1,4-Dioxane dioxan14  
1314 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1315 C4H8O2 Ethyl acetate c141786  
1316 C4H8OS s-Ethyl thioacetate c625605  
1317 C3H8O3 1,2,3-Propanetriol glycerin  
1318 C3H8O2S (Methylsulfonyl)ethane c594434  
1319 C4H9NO Butanamide c541355  
1320 C4H9NO Propanamide, 2-methyl- c563837  
1321 C5H10O 2-Butanone, 3-methyl- c563804  
1322 C5H10O 2H-Pyran, tetrahydro- c142687  
1323 C5H10O 2-methylbutyraldehyde 2meba  
1324 C5H10O 2-Pentanone mpk  
1325 C5H10O 3-Pentanone dek  
1326 C5H10O Cyclopentanol c96413  
1327 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1328 C5H10O Pentanal pal  
1329 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1330 C5H10S 3-Ethylthio-1-propene c5296628  
1331 C5H10S Cyclopentanethiol c1679078  
1332 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1333 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1334 C4H10O2 1,1-Dimethoxyethane c534156  
1335 C4H10O2 1,3-Butanediol budiol13  
1336 C4H10O2 1,4-Butanediol budiol14  
1337 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1338 C4H10OS Diethyl sulfoxide c70291  
1339 C4H10S2 1,4-Butanedithiol budisl14  
1340 C4H11NO Diethylhydroxylamine c3710847  
1341 C5H12O 1-Butanol, 2-methyl- c137326  
1342 C5H12O 1-Butanol, 3-methyl- c123513  
1343 C5H12O 1-Pentanol pentanol1  
1344 C5H12O 2-Butanol, 3-methyl- c598754  
1345 C5H12O 2-Pentanol peol2  
1346 C5H12O 3-Pentanol pentan3ol  
1347 C5H12O Butane, 1-methoxy- meobu  
1348 C5H12O Propane, 1-ethoxy- proet  
1349 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1350 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1351 C5H12S 1-Butanethiol, 3-methyl- c541311  
1352 C5H12S 1-Pentanethiol c110667  
1353 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1354 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1355 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1356 C5H12S Butane, 1-(methylthio)- c628295  
1357 C5H12S Ethyl propyl sulfide c4110503  
1358 C5H12S Propane, 2-(ethylthio)- c5145993  
1359 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1360 C4F2 difluorobutadiyne c4f2  
1361 ClCOClCO Oxalyl chloride oxcl  
1362 CF3CN Acetonitrile, trifluoro- cf3cn  
1363 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1364 B2F4 Diboron tetrafluoride b2f4  
1365 B2Cl4 Diboron tetrachloride b2cl4  
1366 C2F4 Tetrafluoroethylene c2f4  
1367 C2F4+ Tetrafluoroethylene cation c2f4+  
1368 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1369 CF2CCl2 difluorodichloroethylene cf2ccl2  
1370 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1371 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1372 C2FCl3 fluorotrichloroethene c2fcl3  
1373 C2Cl4 Tetrachloroethylene c2cl4  
1374 C2Br4 tetrabromoethene c2br4  
1375 CF3OF Trifluoromethylhypofluorite cf3of  
1376 SiF5- silicon pentafluoride anion sif5-  
1377 SOF4 Sulfur tetrafluoride oxide sof4  
1378 PF5 Phosphorus pentafluoride pf5  
1379 AsF5 Arsenic pentafluoride asf5  
1380 PCl5 Phosphorus pentachloride pcl5  
1381 SF5 Sulfur pentafluoride sf5  
1382 SF5+ pentafluoro sulfur cation sf5+  
1383 SbCl5 Antimony pentachloride sbcl5  
1384 BrF5 bromine pentafluoride brf5  
1385 ClF5 chlorinepentafluoride clf5  
1386 IF5 pentafluoroiodine if5  
1387 CF3CHO trifluoroacetaldehyde cf3cho  
1388 CCl3CHO trichloroacetaldehyde ccl3cho  
1389 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1390 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1391 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1392 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1393 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1394 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1395 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1396 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1397 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1398 CF3COOH trifluoroacetic acid cf3cooh  
1399 C4H3ClO Furan, 2-chloro fur2cl  
1400 C4H3ClO Furan,3-chloro fur3cl  
1401 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1402 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1403 C4H8Cl2 1,4-Dichlorobutane c110565  
1404 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1405 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1406 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1407 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1408 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1409 C5H11Cl Pentane, 1-chloro- pencl1  
1410 C4H8O2 Butanoic acid bua  
1411 C6H5CH2 benzyl radical benzyl  
1412 C7H7+ cycloheptatrienyl cation c7h7+  
1413 C6H5CH3 toluene toluene  
1414 C7H8 cycloheptatriene cht  
1415 C7H8 Norbornadiene norbor  
1416 C7H8 Quadricyclane qucy  
1417 C7H12 Norbornane nor  
1418 C7H14 cycloheptane c7h14  
1419 C7H16 2-methylhexane 2mhex  
1420 C7H16 3-methylhexane hex3m  
1421 C7H16 heptane heptane  
1422 CH(CN)3 tricyanomethane mecn3  
1423 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1424 C6H7N 2-Methylpyridine mp  
1425 C6H5NH2 aniline aniline  
1426 C6H13N 2-Methylpiperidine pip2m  
1427 C6H13N cyclohexanamine cham  
1428 C6H15N triethylamine tea  
1429 N2O5 Dinitrogen pentoxide n2o5  
1430 C4H2O3 Maleic Anhydride malan  
1431 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1432 C5H4O2 furfural furfural  
1433 C6H5O phenoxy radical phenoxy  
1434 C5H5NO 2(1H)-Pyridinone c72762006  
1435 C5H5NO 2(3H)-Pyridinone c9000048  
1436 C5H5NO 2(5H)-Pyridinone c9000037  
1437 C5H5NO 2-Pyridinol c109104  
1438 C5H5NO 3(2H)-Pyridinone c9000004  
1439 C5H5NO 3(4H)-Pyridinone c9000026  
1440 C5H5NO 3(6H)-Pyridinone c9000015  
1441 C5H5NO 3-Pyridinol c109002  
1442 C5H5NO 4(1H)-Pryidinone c9000060  
1443 C5H5NO 4(3H)-Pryidinone c9000059  
1444 C5H5NO 4-Pyridinol c626642  
1445 C6H5OH phenol phenol  
1446 C6H6O 2,4-Cyclohexadienone c24599573  
1447 C6H6O 2,5-Cyclohexadienone c5664335  
1448 C6H5SH Benzenethiol phsh  
1449 HO2CCHNH2CH2OH Serine serine  
1450 C5H8O2 Acetylacetone acac  
1451 C4H8O2S Sulfolane sulfolane  
1452 C7H10 Norbornene norbornene  
1453 CH(C2H3)3 trivinyl methane tvm  
1454 C6H10O cyclohexanone chexo  
1455 C6H12O hexanal c6h12o  
1456 C3H7OC3H7 di-n-propyl ether propr  
1457 F2CCCF2 tetrafluoroallene pfa  
1458 CF3COO- trifluoro acetate anion cf3coo-  
1459 CF3COF trifluoroacetyl fluoride cf3cof  
1460 CF3COCl trifluoroacetyl chloride cf3cocl  
1461 PF6 Hexafluorophosphate neutral pf6  
1462 PF6- Hexafluorophosphate ion pf6-  
1463 SeF6 Selenium hexafluoride sef6  
1464 SF5Cl sulfur chloropentafluoride sf5cl  
1465 CF3CHF2 pentafluoroethane cf3chf2  
1466 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1467 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1468 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1469 CCl3CHCl2 pentachloroethane ccl3chcl2  
1470 C6H5F Fluorobenzene bzf  
1471 C6H5Cl chlorobenzene bzcl  
1472 C6H5Br bromobenzene bzbr  
1473 C8H6 Calicene calicene  
1474 C6H5CCH phenylacetylene phac  
1475 C8H6 benzocyclobutadiene bcbd  
1476 C8H6 Pentalene pentalene  
1477 C6H5CHCH2 Styrene styrene  
1478 C8H8 cubane cubane  
1479 C8H8 cyclooctatetraene cot  
1480 C6H5CH2CH3 Ethylbenzene etbz  
1481 CH3C6H4CH3 meta-xylene mxylene  
1482 CH3C6H4CH3 paraxylene pxylene  
1483 C8H14 Bicyclo[2.2.2]octane bico222  
1484 C8H16 cyclooctane cyclooct  
1485 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1486 C8H18 Octane c8h18  
1487 C6H5CN phenyl cyanide phcn  
1488 C6H12N2 Triethylenediamine ted  
1489 C4O4-- squarate dianion c4o4--  
1490 S4N4 Tetrasulfur tetranitride s4n4  
1491 S8 Octasulfur s8  
1492 C6H4O2 parabenzoquinone pbq  
1493 C4H4N2O2 Uracil uracil  
1494 C6H5CHO benzaldehyde benzal  
1495 C6H5OCH3 Anisole anisole  
1496 C5H9NO2 Proline proline  
1497 C6H12O2 Methyl pivalate c598981  
1498 C6H12O2 Hexanoic acid hexa  
1499 C4F4 tetrafluorcyclobutadiene c4f4  
1500 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1501 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1502 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1503 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1504 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1505 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1506 C2F6 hexafluoroethane c2f6  
1507 C2Cl6 hexachloroethane c2cl6  
1508 IF7 Iodine heptafluoride if7  
1509 C6H4F2 metadifluorobenzene mdfb  
1510 C6H4F2 orthodifluorobenzene odfb  
1511 C6H4F2 1,4-difluorobenzene pdfb  
1512 C6H4Cl2 1,2-dichlorobenzene dcb12  
1513 C6H4Cl2 1,3-dichlorobenzene dcb13  
1514 C6H4Cl2 1,4-dichlorobenzene dcb14  
1515 C6H5NO nitrosobenzene bzno  
1516 C9H8 Indene indene  
1517 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1518 C9H12 n-propyl benzene prbz  
1519 C9H20 Nonane nonane  
1520 C(CN)4 tetracyanomethane c5n4  
1521 C5H4N4 purine purine  
1522 C8H7N Indole indole  
1523 C3H3N3O3 cyanuric acid cyanuric  
1524 C6H5NO2 Nitrobenzene c6h5no2  
1525 C6H5COOH benzoic acid benzo  
1526 CH3COC6H5 acetophenone acph  
1527 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1528 C3F6 hexafluoropropene c3f6  
1529 C6H3F3 Benzene trifluoride 123 bzf3a  
1530 C8H18O 1-Octanol octanol  
1531 C10H8 Azulene azu  
1532 C10H8 naphthalene naph  
1533 C10H10 bullvalene bullv  
1534 C10H16 adamantane adamantane  
1535 C6N4 Tetracyanoethylene tcne  
1536 C6N4- tetracyanoethylene anion tcne-  
1537 C10H22 Decane decane  
1538 C4F6 perfluorobutadiene c4f6  
1539 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1540 C3F8 perfluoropropane c3f8  
1541 Fe(CO)5 Iron pentacarbonyl ipc  
1542 Fe(C5H5)2 ferrocene fecp2  
1543 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1544 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1545 C12H8 Acenaphthylene acenaph  
1546 C12H8 biphenylene biph  
1547 C12H10 biphenyl biphenyl  
1548 C12H10 Heptalene heptalene  
1549 C6H12O6 Inositol inositol  
1550 C6F6 hexafluorobenzene c6f6  
1551 S2F10 disulphur decafluoride s2f10  
1552 C13H10 Fluorene fluorene  
1553 C14H10 Anthracene anth  
1554 C14H10 Phenanthrene phenanthrene  
1555 C14H14 Bibenzyl bibenzyl  
1556 C12H10N2 azobenzene azobenzene  
1557 C6H5COC6H5 benzophenone benzophenone  
1558 C16H10 Pyrene pyrene  
1559 C18H12 Tetracene tetracene  
1560 C19H16 Triphenylmethane tpm  
1561 C24H12 Coronene coronene  
1562 C60 Buckminsterfullerene c60