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List of which calculations are completed at ROHF /6-31+G**

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H- Hydrogen atom anion 2SKh
4 H+ Hydrogen atom cation  Kh
5 H2- hydrogen diatomic anion 2Σu+D∞h
6 H2+ Hydrogen cation 2Σg+D∞h
7 He Helium atom   
8 He- Helium atom anion 2SKh
9 He+ Helium atom cation 2SKh
10 HeH+ Helium hydride cation 1ΣC∞v
11 He2+ helium diatomic cation 2ΣuD∞h
12 Li Lithium atom 2SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na- Sodium atom anion 1SKh
16 K Potassium atom 2SKh
17 K- Potassium atom anion 1SKh
18 K+ Potassium atom cation 1SKh
19 Cu Copper atom 2SKh
20 Cu- Copper atom anion 1SKh
21 Cu+ Copper atom cation 1SKh
22 LiH+ lithium hydride cation 2ΣC∞v
23 NaH+ sodium hydride cation 2ΣC∞v
24 KH Potassium hydride 1ΣC∞v
25 KH+ Potassium hydrogen cation 2ΣC∞v
26 CuH Copper monohydride 1ΣC∞v
27 Be+ Beryllium atom cation 2SKh
28 Mg- Magnesium atom anion 2PKh
29 Mg+ Magnesium atom cation 2SKh
30 Ca- Calcium atom anion 2DKh
31 Ca+ Calcium atom cation 2SKh
32 BeH beryllium monohydride 2ΣC∞v
33 MgH magnesium monohydride 2ΣC∞v
34 CaH Calcium monohydride 2ΣC∞v
35 TiH Titanium monohydride 4ΦC∞v
36 ZnH Zinc monohydride 2ΣC∞v
37 BeH2+ Beryllium dihydride cation 2ΣC∞v
38 BeH2+ Beryllium dihydride cation 2ΣuD∞h
39 BeH2+ Beryllium dihydride cation   
40 B Boron atom 2PKh
41 B Boron atom 4PKh
42 B+ Boron atom cation 1SKh
43 Al Aluminum atom 2PKh
44 Al- Aluminum atom anion 3PKh
45 Al+ Aluminum atom cation 1SKh
46 Sc Scandium atom 2DKh
47 Sc+ Scandium cation 3DKh
48 Ga Gallium atom 2P 
49 Ga- Gallium atom anion 3POh
50 Ga+ Gallium atom cation 1S 
51 BH Boron monohydride 3ΠC∞v
52 BH- boron monohydride anion 4ΣC∞v
53 ScH+ Scandium monohydride cation 2ΣC∞v
54 GaH+ Gallium monohydride cation 2ΣC∞v
55 BH2 boron dihydride 2A1C2v
56 BH2- boron dihydride anion 3B1C2v
57 AlH2 aluminum dihydride 2A1C2v
58 AlH2- aluminum dihydride anion 1A1C2v
59 AlH2+ aluminum dihydride cation 1ΣgD∞h
60 BH3+ boron trihydride cation 2E'D3h
61 BH3+ boron trihydride cation 2B2C2v
62 BH3+ boron trihydride cation  C2v
63 AlH3- aluminum trihydride anion 2A2"D3h
64 AlH3- aluminum trihydride anion  C3v
65 AlH3+ aluminum trihydride cation 2ED3h
66 AlH3+ aluminum trihydride cation 2A1C2v
67 BH4 borohydride 2B2C2v
68 BH4- borohydride anion 1A1Td
69 C Carbon atom 3P0Kh
70 C- Carbon atom anion 2DKh
71 C+ Carbon atom cation 2PKh
72 Si Silicon atom 3PKh
73 Si- Silicon atom anion 4SKh
74 Si+ Silicon atom cation 2PKh
75 Ge Germanium atom 3PKh
76 Ge- Germanium anion 4SKh
77 Ge+ Germanium cation 2PKh
78 CH Methylidyne 2Π1/2C∞v
79 SiH Silylidyne 2ΠC∞v
80 SiH- silicon monohydride anion 3ΣC∞v
81 GeH germylidene 2ΠC∞v
82 CH2 Methylene 3B1C2v
83 CH2 Methylene 3ΣGD∞h
84 CH2- methylene anion 2B1C2v
85 CH2+ methylene cation 2A1C2v
86 CH2+ methylene cation 2ΠD∞h
87 SiH2 silicon dihydride 3B1C2v
88 SiH2- silicon dihydride anion 2B1C2v
89 SiH2+ silicon dihydride cation 2A1C2v
90 GeH2 germylene 1A1C2v
91 GeH2- germylene anion 2B1C2v
92 CH3 Methyl radical 2A1D3h
93 CH3- methyl anion 1A1C3v
94 CH3+ methyl cation 1A1'D3h
95 SiH3 Silyl radical 2A1C3v
96 SiH3- Silyl anion 1A1C3v
97 SiH3+ Silyl cation 1A1'D3h
98 GeH3 Germyl radical 2A1C3v
99 GeH3+ germyl cation 1A1'D3h
100 N Nitrogen atom 4SKh
101 N- Nitrogen atom anion 3SKh
102 N+ Nitrogen atom cation 3PKh
103 P Phosphorus atom 4SKh
104 P- Phosphorus atom anion 3PKh
105 P+ Phosphorus atom cation 3PKh
106 V Vanadium atom 4FKh
107 V+ Vanadium atom cation 5DKh
108 As Arsenic atomic 4SKh
109 As- Arsenic anion 3PKh
110 As+ Arsenic cation 3PKh
111 NH Imidogen 3Σ-C∞v
112 PH phosphorus monohydride 3Σ-C∞v
113 AsH Arsenic monohydride 3ΣC∞v
114 AsH+ Arsenic monohydride cation 2ΠC∞v
115 ND2 Amidogen-d2 2B1C2v
116 NH2 Amino radical 2B1C2v
117 NH2+ Amino cation 3B1C2v
118 PH2 Phosphino radical 2B1C2v
119 PH2- Phosphino anion 1A1C2v
120 PH2+ Phosphino cation 1A1C2v
121 AsH2 Arsenic dihydride 2A1C2v
122 NH3- Ammonia anion 2A1C3v
123 NH3+ ammonia cation 2A2"D3h
124 PH3+ Phosphine cation 2A1C3v
125 AsH3+ Arsine cation 2A1C3v
126 NH4 Ammonium radical   
127 PH4 Phosphoranyl radical   
128 O Oxygen atom 3SKh
129 O- Oxygen atom anion 2PKh
130 O+ Oxygen atom cation 4SKh
131 S Sulfur atom 3PKh
132 S- Sulfur atom anion 2PKh
133 S+ Sulfur atom cation 4SKh
134 Se Selenium atom 3PKh
135 Se- Selenium atom anion 2PKh
136 Se+ Selenium atom cation 4SKh
137 DO Hydroxyl-d 2ΠC∞v
138 OH Hydroxyl radical 2ΠC∞v
139 OH+ hydoxyl cation 3ΣC∞v
140 DS Mercapto-d 2ΠC∞v
141 HS Mercapto radical 2ΠC∞v
142 HS- mercapto anion 1ΣC∞v
143 HS+ sulfur monohydride cation 3ΣC∞v
144 CrH Chromium hydride 6ΣC∞v
145 CrH+ Chromium hydride cation 5ΣC∞v
146 HSe Selenium monohydride 2ΠC∞v
147 HSe+ selenium monohydride cation 3ΣC∞v
148 H2O- water anion 2A1C2v
149 H2O- water anion 2A'Cs
150 H2O+ water cation 2B1C2v
151 H2S- Hydrogen sulfide anion 2A'Cs
152 H2S+ Hydrogen sulfide cation 2B1C2v
153 H2Se Hydrogen selenide 1A1C2v
154 H2Se+ Hydrogen selenide cation 2B1C2v
155 H3S+ Sulfonium cation 1A1C3v
156 F Fluorine atom 2PKh
157 F- Fluorine atom anion 1SKh
158 F+ Fluorine atom cation 3SKh
159 F+ Fluorine atom cation 1DKh
160 Cl Chlorine atom 2PKh
161 Cl- Chlorine atom anion 1SKh
162 Cl+ Chlorine atom cation 3PKh
163 Cl+ Chlorine atom cation 1DKh
164 Br Bromine atom 2PKh
165 Br- Bromine atom anion 1SKh
166 Br+ Bromine atom cation 3PKh
167 HF- hydrogen fluoride anion 2ΣC∞v
168 HF+ hydrogen fluoride cation 2ΠC∞v
169 HCl- hydrogen chloride anion 2ΣC∞v
170 HCl+ hydrogen chloride cation 2ΠC∞v
171 HBr hydrogen bromide 1ΣC∞v
172 HBr- hydrogen bromide anion 2ΣC∞v
173 HBr+ hydrogen bromide cation 2ΠC∞v
174 H2Cl+ dihydrogen monochloride cation 1A1C2v
175 Ne Neon atom   
176 Ne- Neon atom anion 2SKh
177 Ne+ Neon atom cation 2PKh
178 Ar- Argon atom anion 2SKh
179 Ar+ Argon atom cation 2PKh
180 Kr+ Krypton cation 2PKh
181 NeH neon hydrogen 2ΣC∞v
182 ArH+ Argon hydride cation 1ΣC∞v
183 Na2- sodium diatomic anion 2ΣuD∞h
184 Na2+ sodium diatomic cation 2ΣgD∞h
185 NaK+ Sodium Potassium diatomic cation 1
186 LiBe Lithium Beryllium 2ΣC∞v
187 LiMg Lithium magnesium 2ΣC∞v
188 NaBe Sodium Beryllium 2ΣC∞v
189 NaMg Sodium Magnesium 2ΣC∞v
190 Be2 Beryllium diatomic 3ΠgD∞h
191 Be2- Beryllium diatomic anion 2ΠuD∞h
192 LiB Lithium boride 3ΠC∞v
193 BeB Beryllium monoboride 2ΠC∞v
194 B2 Boron diatomic 3ΣgD∞h
195 B2 Boron diatomic 5ΣuD∞h
196 B2+ Boron diatomic cation 2ΠD∞h
197 BAl Boron Aluminum 3ΣC∞v
198 BGa Boron Gallium 3ΣC∞v
199 AlGa Aluminum Gallium 3ΣC∞v
200 Ga2 Gallium diatomic 3Piu 
201 HBBH Diborane(2) 3ΣGD∞h
202 B2H6+ Diborane cation   
203 LiC Lithium Carbide 4ΣC∞v
204 BeC Beryllium Carbide 3Σ-C∞v
205 BeC Beryllium Carbide   
206 CaC Calcium monocarbide   
207 BC boron monocarbide 4Σ-C∞v
208 BC- boron monocarbide anion 3ΠuC∞v
209 AlC Aluminum carbide 4ΣC∞v
210 BSi Boron silicide 4ΣC∞v
211 BSi Boron silicide 2ΣC∞v
212 C2 Carbon diatomic 3ΠuD∞h
213 C2+ carbon diatomic cation 4ΣgD∞h
214 SiC silicon monocarbide 3ΣC∞v
215 SiC- silicon monocarbide anion 2ΣgC∞v
216 SiC+ silicon monocarbide cation 2ΠC∞v
217 Si2 Silicon diatomic 3ΣgD∞h
218 GeC Germanium monocarbide 1ΣC∞v
219 SiGe Silicon Germanium   
220 Ge2 Germanium diatomic 3ΣgD∞h
221 Ge2 Germanium diatomic 1ΣGD∞h
222 C2H Ethynyl radical 2ΣC∞v
223 ZnCH2 Zinc methylene 3B1C2v
224 ZnCH2 Zinc methylene 1A'Cs
225 C2H2+ acetylene cation 2ΠuD∞h
226 C2H2+ acetylene cation   
227 CCH2 vinylidene 1A1C2v
228 CCH2 vinylidene 3B2C2v
229 H2CC- vinylidene anion   
230 HCCH- acetylene anion   
231 HCCH- acetylene anion   
232 CH3Li methyl lithium 1A1C3v
233 ZnCH3 Zinc monomethyl 2A1C3v
234 C2H3 vinyl 2A'Cs
235 C2H3+ vinyl cation 1A1C2V bridging H
236 C2H4- Ethylene anion 2B2gD2h
237 C2H4- Ethylene anion 2AgC2h
238 C2H4+ Ethylene cation 2B3uD2h
239 C2H4+ Ethylene cation 2B3D2
240 CH3CH methylmethylene 3A"Cs
241 C2H5 Ethyl radical 2A'Cs
242 C2H6+ ethane cation 2BgC2h
243 C2H6+ ethane cation 2AgCi
244 LiN Lithium Nitride 3ΣC∞v
245 LiN+ Lithium Nitride cation 4ΣC∞v
246 LiP Lithium monophosphide   
247 BeN Beryllium mononitride 4ΣC∞v
248 BeN Beryllium mononitride 2ΠC∞v
249 BeN- Beryllium mononitride anion 1ΣC∞v
250 BeN+ Beryllium mononitride cation 1ΣC∞v
251 MgN Magnesium Nitride   
252 MgN Magnesium Nitride   
253 BP Boron monophosphide 3ΠC∞v
254 AlP Aluminum monophosphide 3ΣC∞v
255 AlP Aluminum monophosphide 3ΠC∞v
256 GaN Gallium mononitride 3ΠC∞v
257 GaP Gallium monophosphide 3ΣC∞v
258 GaAs Gallium arsenide 3Π 
259 GaAs Gallium arsenide 1Σ 
260 BN boron nitride 3ΠC∞v
261 AlN Aluminum nitride 3ΠiC∞v
262 CN Cyano radical 2ΣC∞v
263 CP Carbon monophosphide 2ΣC∞v
264 SiN Silicon nitride 2ΣC∞v
265 SiP Silicon monophosphide 2ΠC∞v
266 SiP- Silicon monophosphide anion 1ΣC∞v
267 SiP+ Silicon monophosphide cation 3ΣC∞v
268 N2 Nitrogen diatomic   
269 N2- nitrogen diatomic anion 2ΠgD∞h
270 N2+ diatomic nitrogen cation 2ΣgD∞h
271 HNB hydrogen nitrogen boron 2ΣC∞v
272 HCN+ hydrogen cyanide cation 2ΠC∞v
273 HNC+ hydrogen isocyanide cation   
274 HCP+ Phosphaethyne cation   
275 NNH Dinitrogen monohydride 2A'Cs
276 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
277 CNH2 Aminomethylidyne radical 2B2C2v
278 H2CN Dihydrogen cyanide radical 2B2C2v
279 H2CN+ hydrocyanonium cation 1A1C2v
280 HCNH methyleneazane 2A'CS cis
281 HCNH methyleneazane 2A'CS trans
282 N2H2+ trans-diazene cation 2AGC2h
283 CH2NH+ Methanimine cation   
284 CHNH2+ Aminocarbene cation   
285 N2H4+ hydrazine cation 2AGC2h
286 CH3NH2+ methyl amine cation 2A'Cs
287 CH3NH3 methyl ammonium radical 2A1C3v
288 LiO lithium oxide 2ΣC∞v
289 LiO- lithium oxide anion 1ΣC∞v
290 LiO- lithium oxide anion 3ΣC∞v
291 LiO+ lithium oxide cation 3ΣC∞v
292 LiS Lithium monosulfide 2ΠC∞v
293 LiS+ Lithium sulfide cation 3ΣC∞v
294 NaO sodium monoxide 2ΣC∞v
295 KO Potassium monoxide 2ΣC∞v
296 KO+ Potassium monoxide cation 3ΣC∞v
297 NaS Sodium sulfide 2ΠC∞v
298 CuO Copper Monoxide 2ΠC∞v
299 LiSe Lithium monoselenide   
300 BeO- Beryllium monoxide anion 2ΣC∞v
301 BeO+ Beryllium monoxide cation 2ΠC∞v
302 BO boron monoxide 2ΣC∞v
303 BO- boron monoxide anion 1ΣC∞v
304 AlO Aluminum monoxide 2ΣC∞v
305 BS boron sulfide 2ΣC∞v
306 AlS Aluminum sulfide 2ΣC∞v
307 ScO Scandium monoxide 2ΣC∞v
308 GaO Gallium monoxide 2ΣC∞v
309 GaS Gallium monosulfide   
310 CO Carbon monoxide 3ΠC∞v
311 CO- carbon monoxide anion 2ΠC∞v
312 CO+ carbon monoxide cation 2ΣC∞v
313 TiO Titanium monoxide 3ΔC∞v
314 GeO+ Germanium monoxide cation 2ΣC∞v
315 SiSe+ Silicon Monoselenide cation   
316 NO Nitric oxide 2ΠC∞v
317 NO- nitric oxide anion 3ΣC∞v
318 NS Mononitrogen monosulfide 2ΠC∞v
319 NS- nitrogen sulfide anion 3ΣC∞v
320 PO Phosphorus monoxide 2ΠC∞v
321 PS phosphorus sulfide 2ΣC∞v
322 VO Vanadium monoxide 4Σ- 
323 AsO Arsenic monoxide 2ΠC∞v
324 NSe Nitrogen monoselenide 2ΠC∞v
325 AsS Arsenic monosulfide 2ΠC∞v
326 PSe Phosphorus monoselenide 2ΠC∞v
327 AsSe Arsenic monoselenide 2ΠC∞v
328 O2 Oxygen diatomic 3ΣgD∞h
329 O2- oxygen diatomic anion 2ΠD∞h
330 O2+ diatomic oxygen cation 2ΠgD∞h
331 SO Sulfur monoxide 3ΣC∞v
332 SO Sulfur monoxide 1ΣC∞v
333 SO+ sulfur monoxide cation 2ΠC∞v
334 S2 Sulfur diatomic 3ΣgD∞h
335 SeO Selenium monoxide 3ΣC∞v
336 Se2 Selenium diatomic 3ΣgD∞h
337 BeOH beryllium monohydroxide 2A'Cs
338 BeOH beryllium monohydroxide 2ΣC∞v
339 MgOH magnesium hydroxide 2A'Cs
340 COH Hydroxymethylidyne   
341 HCO Formyl radical 2A'Cs
342 HCO- formyl anion 1A'Cs
343 HCO+ Formyl cation 1ΣC∞v
344 HCS Thioformyl radical 2A'Cs
345 HCS+ Thioformyl cation 1ΣC∞v
346 HNO Nitrosyl hydride 1A'Cs
347 HNO- Nitrosyl hydride anion 2A"Cs
348 HNO+ Nitrosyl hydride cation 2A'Cs
349 NOH Hydroxyimidogen 3A"Cs
350 NOH+ O-protonated nitric oxide 2A'Cs
351 HNS- Sulfur imide anion 2ACs
352 HO2 Hydroperoxy radical 2A"Cs
353 HO2- Hydroperoxy anion 1A'Cs
354 HO2+ Hydroperoxy cation 3A"Cs
355 HO2+ Hydroperoxy cation 1A'Cs
356 SOH Sulfur Hydroxide   
357 SOH+ Sulfur Monoxide, protonated   
358 HS2 Thiosulfeno radical 2A"Cs
359 H2CO- formaldehyde anion 2A'Cs
360 H2CO- formaldehyde anion   
361 H2CO+ formaldehyde cation 2B2C2v
362 H2CS- thioformaldehyde anion   
363 H2CS- thioformaldehyde anion   
364 H2CS+ thioformaldehyde cation 2B2C2v
365 H2NO nitroxide 2B1C2v
366 H2NO nitroxide 2A'Cs
367 H2O2+ Hydrogen peroxide cation 2BgC2h
368 H2O2+ Hydrogen peroxide cation 2A1C2v
369 H2S2+ hydrogen disulfide cation 2BgC2h
370 CH2OH Hydroxymethyl radical 2AC1
371 CH3O Methoxy radical 2A'C1
372 CH3O+ Methoxy cation 3A1C3v
373 CH3S thiomethoxy 2A'C3v
374 NH2OH+ Hydroxylamine cation   
375 CH3OH- Methyl alcohol anion 2A'Cs
376 CH3OH- Methyl alcohol anion 2A'CS eclipsed
377 CH3OH+ Methyl alcohol cation 2A"Cs
378 CH3OH+ Methyl alcohol cation 2AC1
379 CH3SH+ Methanethiol cation 2A"Cs
380 NH2OH2+ protonated hydroxylamine   
381 NH3OH+ N-protonated hydroxylamine   
382 NaF+ sodium fluoride cation 2ΣC∞v
383 LiF- lithium fluoride anion 2ΣC∞v
384 LiF+ lithium fluoride cation 2ΠC∞v
385 BeF Beryllium monofluoride 2ΣC∞v
386 BeF- Beryllium monofluoride anion 1ΣC∞v
387 BeF+ Beryllium monofluoride cation 1ΣC∞v
388 BeCl beryllium monochloride 2ΣC∞v
389 MgF Magnesium monofluoride 2ΣC∞v
390 MgCl magnesium monochloride 2ΣC∞v
391 CaCl calcium monochloride 2ΣC∞v
392 TiCl Titanium Monochloride 4ΣC∞v
393 ZnF Zinc monofluoride 2ΣC∞v
394 ZnCl Zinc monochloride 2ΣC∞v
395 CaBr Calcium monobromide   
396 GaF Gallium monofluoride 1ΣC∞v
397 GaF+ Gallium monofluoride cation 2ΣC∞v
398 GaCl Gallium monochloride 1ΣGC∞v
399 GaCl+ Gallium monochloride cation 2ΣC∞v
400 CF Fluoromethylidyne 2ΠC∞v
401 CF- carbon monofluoride anion 3ΣC∞v
402 CCl carbon monochloride 2ΠC∞v
403 SiF silicon monofluoride 2ΠC∞v
404 SiF- silicon monofluoride anion 3ΣC∞v
405 SiCl Clorosilylidyne 2ΠC∞v
406 CBr Carbon monobromide 2ΠC∞v
407 GeF Germanium monofluoride 2ΠC∞v
408 GeCl Germanium monochloride 2ΠC∞v
409 SiBr Silicon monobromide 2ΠC∞v
410 SiBr+ Silicon monobromide cation   
411 NF nitrogen fluoride 3ΣC∞v
412 NCl nitrogen monochloride 3ΣC∞v
413 NCl- nitrogen monochloride anion 2ΠC∞v
414 NCl+ nitrogen monochloride cation 2ΠC∞v
415 PF phosphorus monofluoride 3ΣC∞v
416 AsF Arsenic monofluoride 3ΣC∞v
417 NBr nitrogen monobromide 3Σ-C∞v
418 AsCl Arsenic monochloride 3ΣC∞v
419 PBr Phosphorus monobromide   
420 FO Oxygen monofluoride 2ΠC∞v
421 ClO Monochlorine monoxide 2ΠC∞v
422 ClO+ chlorine monoxide cation 3ΣC∞v
423 SF Monosulfur monofluoride 2ΠC∞v
424 SF+ sulfur monofluoride cation 3ΣC∞v
425 SCl sulfur monochloride 2ΠC∞v
426 SCl+ sulfur monochloride cation 3ΣgC∞v
427 BrO Bromine monoxide 2ΠC∞v
428 BrO+ Bromine monoxide cation   
429 SeF Selenium monofluoride 2ΠC∞v
430 SBr Sulfur monobromide radical   
431 SBr+ Sulfur monobromide cation   
432 SeCl Selenium monochloride 2ΠC∞v
433 SeBr Selenium monobromide   
434 F2- flourine diatomic anion 2ΣuD∞h
435 F2+ flourine diatomic cation 2ΠgD∞h
436 ClF Chlorine monofluoride 1Σ+C∞v
437 ClF+ clorine monofluoride cation 2ΠC∞v
438 Cl2- chlorine diatomic anion 2ΣuD∞h
439 Cl2+ chlorine diatomic cation 2ΠgD∞h
440 Br2- bromine diatomic anion 2ΣuD∞h
441 Br2+ bromine diatomic cation 2ΠgD∞h
442 HCF Fluoromethylene 3A"Cs
443 HCCl Chloromethylene 3A"Cs
444 CHBr bromomethylene 3A"Cs
445 HOCl+ hypochlorous acid cation   
446 HOBr+ Hypobromous acid cation 2A"Cs
447 FHF- Hydrogen difluoride anion 1ΣgD∞h
448 CH2Br bromomethyl radical 2A'Cs
449 CH2Br bromomethyl radical   
450 CH2F fluoromethyl radical 2ACs
451 CH2Cl chloromethyl radical 2A'Cs
452 CH2Cl chloromethyl radical 2B1C2v
453 CH3F+ methyl fluoride cation   
454 CH3Cl+ Methyl chloride cation   
455 CH3Br methyl bromide 1A1C3v
456 Ne2+ Neon diatomic cation 2ΣuD∞h
457 Ar2+ Argon diatomic cation 2ΣuD∞h
458 Li3 Lithium trimer 2B2C2v
459 C3 carbon trimer 1A1C2v
460 C3+ carbon trimer cation 2ΣuD∞h
461 C3H3 cyclopropenyl radical 2A'Cs
462 C3H3 Propargyl radical 2B1Cs
463 C3H3- Propargyl anion 1A'Cs
464 C3H3+ Propargyl cation 1A1C2v
465 C3H5 Allyl radical 2A2C2v
466 C3H5 Allyl radical 2A"Cs
467 CH3CHCH 1-propenyl radical 2A'Cs
468 C3H7 n-Propyl radical 2A"C1
469 CH3CHCH3 Isopropyl radical 2AC2
470 LiCN lithium cyanide 1ΣC*V LiCN
471 ZnCN Zinc monocyanide 2ΣC∞v
472 ZnNC Zinc isocyanide 2ΣC∞v
473 CNN Diazocarbene   
474 NCN Cyanoimidogen 3ΣgD∞h
475 N3 azide radical 2ΠgD∞h
476 N3+ azide cation 3ΣgD∞h
477 N3+ azide cation 3ΣC∞v
478 HCCN cyanomethylene 3A"Cs
479 HCCN cyanomethylene 3ΣC∞v
480 HCCN cyanomethylene   
481 HN3 hydrogen azide 1A'Cs
482 HN3+ Hydrazoic acid cation   
483 CH3CN- acetonitrile anion 2EC3v
484 CH3CN- acetonitrile anion 2A'Cs
485 CH3CN+ Acetonitrile cation 2A"Cs
486 HCNCH2+ 2H-Azirine cation   
487 CH2CHNH vinylazine 2A"CS cis
488 CH2CHNH vinylazine 2A"CS trans
489 CH3CHN methylmethaniminyl radical 2A'Cs
490 Li2O+ dilithium oxide cation 2ΠD∞h
491 LiO2 Lithium dioxide   
492 NaO2 Sodium superoxide   
493 CCO Dicarbon monoxide 3ΣC∞v
494 NCO isocyanato radical 2ΠC∞v
495 SCN thiocyanato radical 2ΠC∞v
496 BO2 Boron dioxide 2A'D∞h
497 BO2+ Boron dioxide cation 3ΣgD∞h
498 N2O- Nitrous oxide anion 2A'Cs
499 N2O+ Nitrous oxide cation 2ΠC∞v
500 CO2- Carbon dioxide anion 2A1C2v
501 CO2+ Carbon dioxide cation 2ΠgD∞h
502 CO2+ Carbon dioxide cation 2ΠC∞v
503 OCS+ Carbonyl sulfide cation 2ΠC∞v
504 CS2- Carbon disulfide anion 2A1C2v
505 CS2+ Carbon disulfide cation 2ΠD∞h
506 NO2 Nitrogen dioxide 2A1C2v
507 NO2- Nitrogen dioxide anion 1A1C2v
508 NO2+ Nitrogen dioxide cation 1ΣGD∞h
509 NSO sulfinyl amidogen   
510 PO2 Phosphorus dioxide 2A1C2v
511 PO2+ Phosphorus dioxide cation 1ΣGD∞h
512 SNO Nitrogen oxide sulfide   
513 AsO2 Aresenic dioxide 2A1C2v
514 O3- Ozone anion 2B1C2v
515 O3+ Ozone cation 2A1C2v
516 SO2 Sulfur dioxide 1A1C2v
517 SO2- Sulfur dioxide anion 2B1C2v
518 SO2+ Sulfur dioxide cation 2A1C2v
519 S3- Sulfur trimer anion 2B1C2v
520 S3+ Sulfur trimer cation 2B2C2v
521 SeO2+ Selenium dioxide cation 2A1C2v
522 HCCO ketenyl radical 2ΠC∞v
523 HCCO ketenyl radical 2A"Cs
524 HCOO formate neutral radical 2A'Cs
525 HOCO Hydrocarboxyl radical 1A'cis
526 HOCO Hydrocarboxyl radical 1A'trans
527 HOCO+ Hydrocarboxyl cation 1A'Cs
528 HNO2+ nitrous acid cation 2A'Cs
529 CH2CO+ Ketene cation 2B1C2v
530 CH2CHO Vinyloxy radical 2A"Cs
531 CH3CO Acetyl radical 2A'Cs
532 CH2OOH CH2OOH radical 2AC1
533 CH3OO methylperoxy radical 2A"Cs
534 CH3OO+ methylperoxy cation 1A'Cs
535 C2H4O+ ethylene oxide cation   
536 CH3CHO+ acetaldehyde cation   
537 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
538 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
539 CH2CH2OH 2-hydroxy ethyl radical 2AC1
540 CH3CH2O Ethoxy radical 2A'Cs
541 CH3CHOH 1-hydroxy-ethyl radical 2AC1
542 CH3OCH2 methoxymethyl radical 2AC1
543 CH3CH2SH ethanethiol 1A'Cs
544 CH3SCH3+ dimethyl sulfide cation   
545 CuF2 Copper difluoride 2ΠgD∞h
546 ZnF2 Zinc difluoride 1ΣGD∞h
547 FCO Carbonyl fluoride 2A'Cs
548 ClCO carbonyl monochloride 2A'Cs
549 BF2 Boron difluoride radical 2A1C2v
550 BrNO Nitrosyl bromide 1A'Cs
551 CF2 Difluoromethylene 3B1C2v
552 CF2- Difluoromethylene anion 2B1C2v
553 CF2+ Difluoromethylene cation 2A1C2v
554 SiF2 Silicon difluoride 1A1C2v
555 SiF2 Silicon difluoride 3B1C2v
556 SiF2+ Silicon difluoride cation 2A1C2v
557 CCl2- dichloromethylene anion 2B1C2v
558 CCl2+ dichloromethylene cation 2A1C2v
559 CBr2 dibromomethylene 3B1C2v
560 FOO Dioxygen monofluoride radical 2A"Cs
561 FOO+ Fluorine dioxide cation   
562 ClOO chloroperoxy radical 2A"Cs
563 ClOO+ chloroperoxy cation 1A'Cs
564 OClO Chlorine dioxide 2B1D∞h
565 OClO- Chlorine dioxide anion 1A'Cs
566 OClO+ Chlorine dioxide cation 1A1C2v
567 ClSO Sulfur chloride oxide 2A"Cs
568 ClS2 Sulfur chloride 2A"Cs
569 BrOO Bromine dioxide   
570 OBrO Bromine dioxide radical 2B1C2v
571 NF2 Difluoroamino radical 2B1C2v
572 NF2+ Difluoroamino cation 1A1C2v
573 PF2 Phosphorus difluoride   
574 SF2- sulfur difluoride anion 2A'Cs
575 SF2- sulfur difluoride anion 2ΠD∞h
576 SF2+ sulfur difluoride cation 2B1C2v
577 BrOCl Bromine hypochlorite 1A'Cs
578 BrOBr Bromine oxide 1A1C2v
579 HCCF+ fluoroacetylene cation 2ΠC∞v
580 HFCO+ formyl fluoride cation 2A'Cs
581 COHCl Formyl chloride 1A'Cs
582 COHBr Formyl bromide 1A'Cs
583 CHCl2 dichloromethyl radical 2B1C2v
584 CHCl2 dichloromethyl radical 2A'Cs
585 CHF2 difluoromethyl radical 2ACs
586 CHFCl Chlorofluoromethyl radical   
587 CHBr2 dibromomethyl radical   
588 CH2CHF Ethene, fluoro- 1A'Cs
589 CH3OCl methyl hypochlorite 1A'Cs
590 CH2CH2Cl 2-chloroethyl radical 2A'Cs
591 CHClCH3 1-chloroethyl radical 2AC1
592 C4 Carbon tetramer 3ΣgD∞h
593 C4H2+ diacetlyene cation 2ΠgD∞h
594 CH3CHCHCH2 methylallyl radical 2A"Cs
595 C(CH3)3 Tert-butyl radical 2A"C3v
596 CH2CH(CH3)2 Isobutyl radical 2A'C1
597 CH3CHCH2CH3 2-Butyl radical 1AC1
598 C2N2+ Cyanogen cation 2ΠgD∞h
599 HCCCN+ Cyanoacetylene cation 2ΠC∞v
600 C3H3N+ acrylonitrile cation 2A"Cs
601 NO3+ nitrogen trioxide cation 1A1C2v
602 NO3+ nitrogen trioxide cation 1A1'D3h
603 SO3- Sulfur trioxide anion 2A1pyramidal
604 SO3- Sulfur trioxide anion 2A2"planar
605 SO3+ Sulfur trioxide cation 2A2'D3h
606 HSO3 Hydroxysulfonyl radical 2AC1
607 C2H2O2 Ethanedial 1AgC2h
608 CH3COCH2 Acetonyl radical 2A"Cs
609 C2H5OO ethylperoxy radical 2A'Cs
610 CH3COCH3- acetone anion 2A'Cs
611 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
612 BrONO Bromine nitrite 1A'CS trans
613 CF2O+ Carbonic difluoride cation   
614 COFCl Carbonic chloride fluoride 1A'Cs
615 COBr2 Carbonic dibromide 1A1C2v
616 BF3- Borane, trifluoro- anion 2A1D3h
617 BF3- Borane, trifluoro- anion 2A1C3v
618 BF3+ boron trifluoride cation 2A2'D3h
619 BF3+ boron trifluoride cation 2B2C2v
620 BF3+ boron trifluoride cation   
621 BCl3+ Boron Trichloride cation   
622 CF3 Trifluoromethyl radical 2A1C3v
623 CF3- Trifluoromethyl anion 1A1C3v
624 CF3+ Trifluoromethyl cation 1A1'D3h
625 CF2Cl difluorochloromethyl radical   
626 SiF3 Silicon trifluoride radical 2A1C3v
627 SiF3+ Silicon trifluoride cation 1A1'D3h
628 CFCl2 dichlorofluoromethyl radical   
629 CCl3 Trichloromethyl radical 2A1C3
630 CCl3- Trichloromethyl anion 1A1C3v
631 CCl3+ Trichloromethyl cation 1A1'D3h
632 CBr3 tribromomethyl radical   
633 NF3 Nitrogen trifluoride 1A1C3v
634 NF3- Nitrogen trifluoride anion 2A1C3v
635 NF3- Nitrogen trifluoride anion 2ACs
636 NF3+ Nitrogen trifluoride cation 2A1C3v
637 SF3 Sulfur trifluoride 2A'Cs
638 CHBrF2 Methane, bromodifluoro- 1A'Cs
639 CHBrCl2 Methane, bromodichloro- 1A'Cs
640 CHClBr2 Methane, dibromochloro- 1A'Cs
641 CH2ClCHO chloroacetaldehyde 1AC1 bisecting, trans
642 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
643 CH3CH2CH2Br n-propyl bromide 1A'Cs
644 CH3CHBrCH3 i-propyl bromide 1A'Cs
645 C5H5 cyclopentadienyl radical 2B1C2v
646 C5H7 cyclopentenyl radical 2A2C2v
647 C5H11 2-Methylbut-2-yl radical 1AC1
648 C3H3N2 imidazolyl radical 2B1C2v
649 C4H4N pyrrolide radical 2A2C2v
650 C3O2+ Carbon suboxide cation 2ΠUD∞h
651 CBrClF2 Methane, bromochlorodifluoro- 1A'Cs
652 CBr4 Carbon tetrabromide 1A1Td
653 C2HF3+ Trifluoroethylene cation 2A"Cs
654 CHCl2CHO dichloroacetaldehyde 1AC1
655 CH3CF2Cl 1-Chloro-1,1-Difluoroethane 1A'Cs
656 C6H5 phenyl 2A1C2v
657 SF5 Sulfur pentafluoride 2A1C4v
658 CF3CHO trifluoroacetaldehyde 1A'Cs
659 CCl3CHO trichloroacetaldehyde 1A'Cs
660 CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1A'Cs
661 C6H5CH2 benzyl radical 2B1Cs
662 C7H7 cycloheptatrienyl radical 2A2C2v
663 C6H13N cyclohexanamine 1AC1
664 C6H5O phenoxy radical 2B1C2v
665 PF6 Hexafluorophosphate neutral 2B2C2v
666 C6H12O2 Methyl pivalate 1AC1
667 C6H12O2 Hexanoic acid 1A1Cs
668 CF3CF2Cl pentafluorochloroethane 1A'Cs
669 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1AgC2h

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 D2 Deuterium diatomic d2  
4 H2 Hydrogen diatomic h2  
5 HD Deuterium hydride hd  
6 H3+ hydrogen trimer cation h3+  
7 He Helium atom he  
8 HeH Helium hydride heh  
9 Li- Lithium atom anion li-  
10 Na+ Sodium atom cation na+  
11 LiH Lithium Hydride lih  
12 LiH- lithium hydride anion lih-  
13 NaH sodium hydride nah  
14 NaH- sodium hydride anion nah-  
15 Be Beryllium atom be  
16 Be- Beryllium atom anion be-  
17 Mg Magnesium atom mg  
18 Ca Calcium atom ca  
19 Zn Zinc atom zn  
20 Zn- Zinc atom anion zn-  
21 Zn+ Zinc atom cation zn+  
22 BeH- berylium monohydride anion beh-  
23 BeH+ beryllium monohydride cation beh+  
24 MgH- magnesium monohydride anion mgh-  
25 MgH+ magnesium monohydride cation mgh+  
26 CaH+ Calcium monohydride cation cah+  
27 ZnH+ Zinc, protonated znh+  
28 BeH2 beryllium dihydride beh2  
29 MgH2 magnesium dihydride mgh2  
30 CaH2 Calcium Hydride cah2  
31 ZnH2 Zinc hydride znh2  
32 B- Boron atom anion b-  
33 BH Boron monohydride bh  
34 BH- boron monohydride anion bh-  
35 BH+ boron monohydride cation bh+  
36 AlH aluminum monohydride alh  
37 AlH- aluminum monohydride anion alh-  
38 AlH+ aluminum monohydride cation alh+  
39 ScH Scandium monohydride sch  
40 GaH Gallium monohydride gah  
41 BH2+ Boron dihydride cation bh2+  
42 BH3 boron trihydride bh3  
43 BH3- boron trihydride anion bh3-  
44 AlH3 aluminum trihydride alh3  
45 ScH3 Scandium trihydride sch3  
46 GaH3 Gallium trihydride gah3  
47 AlH4- Aluminum tetrahydride anion alh4-  
48 C- Carbon atom anion c-  
49 Ti Titanium atom ti  
50 Ti- Titanium atom anion ti-  
51 Ti+ Titanium atom cation ti+  
52 Sn Tin atom sn  
53 Sn+ Tin cation sn+  
54 CH- methylidyne anion ch-  
55 CH+ Methylidyne cation ch+  
56 SiH+ silicon monohydride cation sih+  
57 GeH+ Germaniun monohyrdide cation geh+  
58 CD4 methane-d4 cd4  
59 CH2D2 methane-d2 ch2d2  
60 CH3D methane-d ch3d  
61 CH4 Methane ch4  
62 CH4- Methane anion ch4-  
63 CH4+ Methane cation ch4+  
64 CHD3 methane-d3 chd3  
65 SiH2D2 silane-d2 sih2d2  
66 SiH4 Silane sih4  
67 GeH4 Germane geh4  
68 SnH4 Stannane snh4  
69 SiH5+ Silane, protonated sih5+  
70 Sb Antimony atom sb  
71 NH- Imidogen anion nh-  
72 NH+ imidogen cation nh+  
73 PH- phosphorus monohydride anion ph-  
74 PH+ phosphorus monohydride cation ph+  
75 SbH Antimony monohydride sbh  
76 NH2- amino anion nh2-  
77 AsH2+ Arsenic dihydride cation ash2+  
78 ND3 Ammonia-d3 nd3  
79 NH3 Ammonia nh3  
80 PH3 Phosphine ph3  
81 AsH3 Arsine ash3  
82 SbH3 Stibine sbh3  
83 AsH4+ Arsonium ash4+  
84 NH4+ ammonium cation nh4+  
85 PH4+ phosphonium cation ph4+  
86 Cr Chromium atom cr  
87 Te Tellurium atom te  
88 Te+ Tellurium atom cation te+  
89 OH- hydroxide anion oh-  
90 HSe- selenium monohydride anion hse-  
91 TeH Telluryl radical teh  
92 D2O Deuterium oxide d2o  
93 H2O Water h2o  
94 HDO Water-d1 hdo  
95 D2S Hydrogen sulfide-d2 d2s  
96 H2S Hydrogen sulfide h2s  
97 H2Te Hydrogen Telluride h2te  
98 H3O+ hydronium cation h3o+  
99 H3Se+ Hydrogen Selenide, protonated h3se+  
100 Mn Manganese atom mn  
101 I Iodine atom iodine  
102 I- Iodine atom anion iodine-  
103 I+ Iodine atom cation iodine+  
104 DF Hydrofluoric acid-d df  
105 HF Hydrogen fluoride hf  
106 DCl Hydrochloric acid-d dcl  
107 HCl Hydrogen chloride hcl  
108 HI Hydrogen iodide hi  
109 HI+ Hydrogen iodide cation hi+  
110 H2F+ dihydrogen fluoride cation h2f+  
111 H2Br+ protonated hydrogen bromide h2br+  
112 H2I+ Iodonium h2i+  
113 Ne Neon atom ne  
114 Ar Argon atom ar  
115 Fe Iron atom fe  
116 Kr Krypton atom kr  
117 Xe Xenon atom xe  
118 HeLi+ Helium Lithium cation heli+  
119 NeH+ neon hydrogen cation neh+  
120 KrH+ Protonated Krypton krh+  
121 XeH+ Xenon, protonated xeh+  
122 H2Ar H2 Ar dimer h2ar  
123 Co Cobalt atom cobalt  
124 Ni Nickel atom ni  
125 Li2 Lithium diatomic li2  
126 Li2- lithium diatomic anion li2-  
127 NaLi lithium sodium lina  
128 NaLi- lithium sodium anion lina-  
129 NaLi+ lithium sodium cation lina+  
130 LiK Lithium Potassium lik  
131 Na2 Sodium diatomic na2  
132 NaK Sodium Potassium nak  
133 K2 Potassium diatomic k2  
134 Cu2 Copper diatomic cu2  
135 Be2 Beryllium diatomic be2  
136 Be2+ Beryllium diatomic cation be2+  
137 BeMg Beryllium Magnesium bemg  
138 Mg2 Magnesium diatomic mg2  
139 Mg2- magnesium diatomic anion mg2-  
140 Mg2+ magnesium diatomic cation mg2+  
141 Ca2 Calcium diatomic ca2  
142 LiAl Lithium Aluminum lial  
143 NaAl Sodium aluminum naal  
144 B2- Boron diatomic anion b2-  
145 Al2 Aluminum diatomic al2  
146 Al2- aluminum diatomic anion al2-  
147 Al2+ aluminum diatomic cation al2+  
148 LiBH4 Lithium borohydride libh4  
149 B2H4 Diborane(4) D2d b2h4  
150 HBHHBH Diborane(4) C2V hbhhbh  
151 B2H6 Diborane b2h6  
152 Al2H6 dialane al2h6  
153 Ga2H6 digallane ga2h6  
154 BC+ boron monocarbide cation bc+  
155 C2 Carbon diatomic c2  
156 C2- carbon diatomic anion c2-  
157 Si2- silcon diatomic anion si2-  
158 Si2+ silcon diatomic cation si2+  
159 C2H- Ethynyl anion c2h-  
160 C2H+ Ethynyl cation c2h+  
161 C2H2 Acetylene c2h2  
162 Si2H2 disilyne si2h2  
163 CuCH3 monomethyl copper cuch3  
164 CH2BH methyleneborane ch2bh  
165 C2H3- vinyl anion c2h3-  
166 C2H4 Ethylene c2h4  
167 CH2SiH2 silaethylene ch2sih2  
168 Si2H4 Disilene si2h4  
169 CH3BH2 methylborane ch3bh2  
170 C2H5- Ethyl anion c2h5-  
171 C2H5+ Ethyl cation c2h5+  
172 C2H6 Ethane c2h6  
173 CH3SiH3 methyl silane ch3sih3  
174 Si2H6 disilane si2h6  
175 GeH3CH3 methyl germane geh3ch3  
176 C2H7+ Ethane, protonated c2h7+  
177 BeN+ Beryllium mononitride cation ben+  
178 BN- boron nitride anion bn-  
179 AlN- aluminum mononitride anion aln-  
180 AlN+ aluminum mononitride cation aln+  
181 BN+ boron nitride cation bn+  
182 CN- cyanide anion cn-  
183 CN+ Cyano cation cn+  
184 CP- carbon monophosphide anion cp-  
185 CP+ carbon monophosphide cation cp+  
186 SiN- silicon mononitride anion sin-  
187 SiN+ silicon mononitride cation sin+  
188 TiN Titanium mononitride tin  
189 N2 Nitrogen diatomic n2  
190 PN Phosphorus mononitride pn  
191 PN- phosphorus nitride anion pn-  
192 PN+ phosphorus nitride cation pn+  
193 P2 Phosphorus diatomic p2  
194 P2- phosphorus diatomic anion p2-  
195 P2+ phosphorus diatomic cation p2+  
196 AsN Arsenic mononitride asn  
197 AsP Arsenic monophosphide asp  
198 SbN Antimony nitride sbn  
199 As2 Arsenic diatomic as2  
200 HNC hydrogen isocyanide hnc  
201 HCN Hydrogen cyanide hcn  
202 HCN- Hydrogen cyanide anion hcn-  
203 HCP Phosphaethyne hcp  
204 NNH+ Dinitrogen monohydride cation nnh+  
205 HPO Hydrogen phosphorus oxide hpo  
206 LiNH2 lithium amide linh2  
207 HBNH Boranimine hbnh  
208 CNH2+ N-protonated hydrogen isocyanide cnh2+  
209 HCNH+ N-protonated HCN hcnh+  
210 H2NN Isodiazene h2nn  
211 N2H2 (E)-diazene n2h2  
212 N2H2 (Z)-Diazene n2h2z  
213 CH2NH Methanimine ch3n  
214 CHNH2 aminomethylene chnh2  
215 CH2PH Phosphaethene ch3p  
216 BH2NH2 Boranamine bh2nh2  
217 CH2NH2+ methyleneamine cation ch2nh2+  
218 N2H4 Hydrazine n2h4  
219 P2H4 Diphosphine p2h4  
220 CH3NH2 methyl amine ch3nh2  
221 CH3PH2 Methyl phosphine ch3ph2  
222 SiH3NH2 Silane, amino sih3nh2  
223 N2H5+ protonated hydrazine n2h5+  
224 BH3PH3 borane phosphine bh3ph3  
225 BH3NH3 borane ammonia bh3nh3  
226 CH3NH3+ protonated methylamine ch3nh3+  
227 CH3PH3+ methyl phosphine, protonated ch3ph3+  
228 NH3NH3 Ammonia Dimer nh3nh3  
229 N2H7+ ammonia ammonium dimer n2h7+  
230 NaO- sodium oxide anion nao-  
231 NaO+ sodium oxide cation nao+  
232 BeO beryllium oxide beo  
233 BeS beryllium sulfide bes  
234 MgO magnesium oxide mgo  
235 MgO- magnesium oxide anion mgo-  
236 MgO+ magnesium oxide cation mgo+  
237 CaO Calcium monoxide cao  
238 MgS magnesium sulfide mgs  
239 MgS- magnesium sulfide anion mgs-  
240 MgS+ magnesium sulfide cation mgs+  
241 CaS Calcium sulfide cas  
242 ZnO zinc monoxide zno  
243 ZnS Zinc sulfide zns  
244 BeS- Beryllium monosulfide anion bes-  
245 BeS+ Beryllium monosulfide cation bes+  
246 AlO- Aluminum monoxide anion alo-  
247 AlO+ aluminum monoxide cation alo+  
248 BS- boron monosulfide anion bs-  
249 BS+ boron monosulfide cation bs+  
250 AlS- aluminum monosulfide anion als-  
251 AlS+ aluminum monosulfide cation als+  
252 BO+ boron monoxide cation bo+  
253 CO Carbon monoxide co  
254 CS carbon monosulfide cs  
255 CS- carbon monosulfide anion cs-  
256 CS+ carbon monosulfide cation cs+  
257 SiO Silicon monoxide sio  
258 SiO- silicon monoxide anion sio-  
259 SiO+ silicon monoxide cation sio+  
260 SiS silicon monosulfide sis  
261 SiS- silicon monosulfide anion sis-  
262 SiS+ silicon monosulfide cation sis+  
263 CSe Carbon monoselenide cse  
264 CSe- Carbon monoselenide anion cse-  
265 CSe+ Carbon monoselenide cation cse+  
266 GeO Germanium monoxide geo  
267 GeS Germanium monosulfide ges  
268 SiSe Silicon Monoselenide sise  
269 GeSe Germanium monoselenide gese  
270 NO+ nitric oxide cation no+  
271 NS+ nitrogen sulfide cation ns+  
272 PO- phosphorus monoxide anion po-  
273 PO+ phosphorus monoxide cation po+  
274 PS- phosphorus monosulfide anion ps-  
275 PS+ phosphorus monosulfide cation ps+  
276 O2-- dioxygen dianion o2--  
277 SO- sulfur monoxide anion so-  
278 S2- sulfur diatomic anion s2-  
279 S2+ sulfur diatomic cation s2+  
280 SeO- selenium monoxide anion seo-  
281 SeO+ selenium monoxide cation seo+  
282 SeS Selenium monosulfide ses  
283 SeS- selenium monosulfide anion ses-  
284 SeS+ selenium monosulfide cation ses+  
285 TeO Tellurium monoxide teo  
286 Se2- selenium diatomic anion se2-  
287 Se2+ selenium diatomic cation se2+  
288 Te2 Tellurium diatomic te2  
289 LiOH lithium hydroxide lioh  
290 NaOH sodium hydroxide naoh  
291 KOH Potassium hydroxide koh  
292 CaOH Calcium monohydroxide caoh  
293 HBO Boron hydride oxide hbo  
294 HBS hydrogen boron sulfide hbs  
295 COH+ Carbon Monoxide, protonated coh+  
296 HCS- Thioformyl anion hcs-  
297 HNS Sulfur imide hns  
298 HSO+ Sulfur Monoxide, S-protonated HSO+  
299 H2CO Formaldehyde h2co  
300 HOCH hydroxycarbene hoch  
301 H2CS Thioformaldehyde h2cs  
302 H2CSe Selenoformaldehyde h2cse  
303 H2O2 Hydrogen peroxide h2o2  
304 H2OO water oxide h2oo  
305 HOSH hydrogen thioperoxide hosh  
306 H2S2 Disulfane h2s2  
307 H2Se2 hydrogen diselenide h2se2  
308 CH2OH+ hydroxymethyl cation ch2oh+  
309 CH3O- methoxy anion ch3o-  
310 H2CSH+ Thioformaldehyde, protonated h2csh+  
311 NH2OH hydroxylamine nh2oh  
312 NH3O Ammonia Oxide nh3o  
313 H2POH Phosphinous acid h2poh  
314 H3PO Phosphine oxide h3po  
315 NH2SH Thiohydroxylamine nh2sh  
316 NH3S sulfidoazane nh3s  
317 H3O2+ hydrogen peroxide, protonated h3o2+  
318 CH3OH Methyl alcohol ch3oh  
319 CH3SH Methanethiol ch3sh  
320 SiH3OH silanol sih3oh  
321 CH3SeH Methane selenol ch3seh  
322 H2OH2O water dimer h2oh2o  
323 CH3OH2+ Methanol, protonated ch3oh2+  
324 CH3SH2+ protonated methylsulfide ch3sh2+  
325 H2ONH3 Water Ammonia Dimer h2onh3  
326 H5O2+ Dihydroxonium ion h5o2+  
327 LiF lithium fluoride lif  
328 LiCl lithium chloride licl  
329 LiCl- lithium chloride anion licl-  
330 LiCl+ lithium chloride cation licl+  
331 NaF sodium fluoride naf  
332 NaF- sodium fluoride anion naf-  
333 KF Potassium Fluoride kf  
334 NaCl Sodium Chloride nacl  
335 NaCl- sodium chloride anion nacl-  
336 NaCl+ sodium chloride cation nacl+  
337 KCl Potassium Chloride kcl  
338 CuF Copper monofluoride cuf  
339 LiBr Lithium Bromide libr  
340 LiBr- lithium bromide anion libr-  
341 LiBr+ lithium bromide cation libr+  
342 CuCl Copper monochloride cucl  
343 NaBr Sodium Bromide nabr  
344 NaBr- sodium bromide anion nabr-  
345 NaBr+ sodium bromide cation nabr+  
346 KBr Potassium Bromide kbr  
347 LiI Lithium Iodide lii  
348 NaI Sodium Iodide nai  
349 KI Potassium Iodide ki  
350 MgF- magnesium fluoride anion mgf-  
351 MgF+ magnesium fluoride cation mgf+  
352 CaF Calcium monofluoride caf  
353 MgCl- magnesium monochloride anion mgcl-  
354 MgCl+ magnesium monochloride cation mgcl+  
355 ZnF- Zinc monofluoride anion znf-  
356 ZnF+ Zinc monofluoride cation znf+  
357 BeCl- beryllium monochloride anion becl-  
358 BeCl+ beryllium monochloride cation becl+  
359 BF Boron monofluoride bf  
360 BF- Boron monofluoride anion bf-  
361 BF+ Boron monofluoride cation bf+  
362 AlF Aluminum monofluoride alf  
363 AlF- Aluminum monofluoride anion alf-  
364 AlF+ Aluminum monofluoride cation alf+  
365 BCl boron monochloride bcl  
366 BCl- boron monochloride anion bcl-  
367 BCl+ boron monochloride cation bcl+  
368 AlCl Aluminum monochloride alcl  
369 AlCl- aluminum monochloride anion alcl-  
370 AlCl+ aluminum monochloride cation alcl+  
371 ScF Scandium monofluoride scf  
372 BBr Boron monobromide bbr  
373 AlBr Aluminum monobromide albr  
374 AlI Aluminum monoiodide ali  
375 GaBr Gallium monobromide gabr  
376 CF+ carbon monofluoride cation cf+  
377 CCl- carbon monochloride anion ccl-  
378 CCl+ carbon monochloride cation ccl+  
379 SiF+ silicon monofluoride cation sif+  
380 SiCl- silicon monochloride anion sicl-  
381 SiCl+ silicon monochloride cation sicl+  
382 GeF+ Germanium monofluoride cation gef+  
383 GeCl+ Germanium monochloride cation gecl+  
384 NF- nitrogen monofluorine anion nf-  
385 NF+ nitrogen monofluoirde cation nf+  
386 PF- phosphorus monofluoride anion pf-  
387 PF+ phosphorus monofluoride cation pf+  
388 PCl phosphorus chloride pcl  
389 PCl- phosphorus monochloride anion pcl-  
390 PCl+ phosphorus monochloride cation pcl+  
391 SbF Antimony monofluoride sbf  
392 SbCl Antimony monochloride sbcl  
393 FO- flourine oxide anion fo-  
394 FO+ fluorine monoxide cation fo+  
395 ClO- chlorine monoxide anion clo-  
396 SF- sulfur monofluoride anion sf-  
397 SCl- sulfur monochloride anion scl-  
398 BrO- Bromine monoxide anion bro-  
399 IO Iodine monoxide io  
400 BrCl Bromine monochloride brcl  
401 F2 Fluorine diatomic f2  
402 ClF- clorine monofluoride anion clf-  
403 Cl2 Chlorine diatomic cl2  
404 BrF Bromine monofluoride brf  
405 BrF- bromine fluoride anion brf-  
406 BrF+ bromine fluoride cation brf+  
407 BrCl- bromine chloride anion brcl-  
408 BrCl+ bromine chloride cation brcl+  
409 IF Iodine monofluoride if  
410 Br2 Bromine diatomic br2  
411 ICl Iodine monochloride icl  
412 IBr Iodine monobromide ibr  
413 I2 Iodine diatomic i2  
414 I2+ Iodine diatomic cation i2+  
415 HCF Fluoromethylene hcf  
416 HCCl Chloromethylene hccl  
417 HSiF fluorosilylene hsif  
418 HSiCl Chlorosilylene hsicl  
419 HSiBr monobromosilylene hsibr  
420 CHBr bromomethylene chbr  
421 HOF Hypofluorous acid hfo  
422 DOCl Hypochlorous acid-d docl  
423 HOCl hypochlorous acid hocl  
424 HOBr Hypobromous acid hobr  
425 HOI Hypoiodous acid hoi  
426 F2H+ Fluorine, protonated f2h+  
427 FHF Hydrogen difluoride fhf  
428 ClFH+ Chlorine fluoride, F-protonated clfh+  
429 FClH+ Chlorine fluoride, Cl-protonated fclh+  
430 Cl2H+ Chlorine, protonated cl2h+  
431 CH2F+ fluoromethyl cation ch2f+  
432 CH2Cl+ chloromethyl cation ch2cl+  
433 NH2F monofluoroamine nh2f  
434 NH2Cl chloramine nh2cl  
435 H2F2 Hydrogen fluoride dimer h2f2  
436 CD3F methylfluoride-d3 cd3f  
437 CH3F Methyl fluoride ch3f  
438 CD3Cl methyl chloride d3 cd3cl  
439 CH3Cl Methyl chloride ch3cl  
440 SiH3F monofluorosilane sih3f  
441 SiH3Cl chlorosilane sih3cl  
442 GeH3F monofluorogermane geh3f  
443 GeH3Cl monochlorogermane geh3cl  
444 SiH3Br bromosilane sih3br  
445 CH3I methyl iodide ch3i  
446 SiH3I Silyl Iodide sih3i  
447 NH3Cl+ protonated monochloroammonia nh3cl+  
448 CH3ClH+ methyl chloride, protonated ch3clh+  
449 NH4Cl Ammonium chloride nh4cl  
450 LiNe+ Lithium Neon cation line+  
451 Ne2 Neon diatomic ne2  
452 Ar2 Argon diatomic ar2  
453 Li3+ Lithium trimer cation li3+  
454 SiC2 Silicon dicarbide sic2  
455 C3H3+ cyclopropenyl cation cpr+  
456 C3H4 cyclopropene cprop  
457 CH2CCH2 allene allene  
458 CH3CCH propyne propyne  
459 C3H5+ Allyl cation allyl+  
460 Zn(CH3)2 dimethyl zinc dmz  
461 C3H6 Cyclopropane c3h6  
462 CH2CHCH3 Propene propene  
463 C3H7+ cyclopropane, protonated c3h7+  
464 CH3CHCH3+ Isopropyl cation prop2yl+  
465 C3H8 Propane propane  
466 SiH2(CH3)2 dimethylsilane dms  
467 Si3H8 trisilane si3h8  
468 NaCN Sodium Cyanide nacn  
469 KCN Potassium cyanide kcn  
470 CuCN Copper cyanide cucn  
471 AlCN Aluminum monocyanide alcn  
472 AlNC Aluminum isocyanide alnc  
473 CN2 3H-Diazirin-3-ylidene cn2  
474 N3- azide anion n3-  
475 HCNN diazomethyl radical hcnn  
476 HNCNH diiminomethane hncnh  
477 CH2N2 diazirine ch2n2  
478 CH2NN diazomethane ch2nn  
479 NH2CN cyanamide cyanamide  
480 HNNNH+ 1,2-Triazadienium n2h3+  
481 NH2NN+ hydrazoic acid, protonated nh2nn+  
482 CH3CN Acetonitrile ch3cn  
483 CH3NC methyl isocyanide ch3nc  
484 CHNCH2 2H-Azirine c157164  
485 CHNHCH 1H-Azirine chnhch  
486 H2CCNH Ethenimine ch2cnh  
487 H2CNCH methyleneaminomethylene ch2nch  
488 HCCNH2 Ethynamine hccnh2  
489 HNCNH2+ diiminomethane, protonated hncnh2+  
490 NCNH3+ Cyanamide, protonated ncnh3+  
491 NH2CNH+ cyanamide, cn protonated nh2cnh+  
492 NH3CN+ cyanamide, amine protonated nh3cn+  
493 NHCHNH2 aminomethanimine cn2h4  
494 C2H5N Aziridine c2h5n  
495 CH2CHNH2 aminoethene aminoethene  
496 CH2NCH3 N-methylmethanimine nmm  
497 CH3CHNH ethanimine ethanimine  
498 NH2BHNH2 diaminoborane nh2bhnh2  
499 C2H5NH+ Protonated Aziridine c2h5nh+  
500 C2H6N+ aziridine, protonated c2h6n+  
501 NH2CH2NH2 diaminomethane nh2ch2nh2  
502 CH3CH2NH2 Ethylamine etam  
503 CH3NHCH3 Dimethylamine ch3nhch3  
504 CH3PHCH3 dimethylphosphine ch3phch3  
505 NH2CH2NH3+ diaminoethane, protonated pdam  
506 (CH3)2NH2+ dimethylammonium cation dmam  
507 CH3CH2NH3+ ethylamine, protonated pea  
508 Li2O dilithium oxide li2o  
509 Li2S dilithium sulfide li2s  
510 Na2O disodium monoxide na2o  
511 Na2S Sodium sulfide na2s  
512 CNO- fulminate cno-  
513 NCO- cyanate nco-  
514 SCN- thiocyanide anion scn-  
515 BO2- Boron dioxide anion bo2-  
516 NNS Nitrogen sulfide nns  
517 PPO Phosphorus oxide phosphide ppo  
518 CO2 Carbon dioxide co2  
519 OCS Carbonyl sulfide cos  
520 SiO2 silicon dioxide sio2  
521 CS2 Carbon disulfide cs2  
522 TiO2 Titanium dioxide tio2  
523 SiS2 Silicon disulfide sis2  
524 GeO2 Germanium dioxide geo2  
525 OCSe Carbonyl selenide ocse  
526 SCSe Carbon sulfide selenide scse  
527 GeS2 Germanium disulfide ges2  
528 CSe2 Carbon diselenide cse2  
529 SCTe Carbon sulfide Telluride scte  
530 PO2- Phosphorus dioxide anion po2-  
531 O3 Ozone o3  
532 SSO Disulfur monoxide sso  
533 S3 Sulfur trimer s3  
534 SeO2 Selenium dioxide seo2  
535 TeO2 Tellurium Dioxide teo2  
536 CS2H+ Carbon disulfide, protonated cs2h+  
537 HCNO fulminic acid hcno  
538 HNCO Isocyanic acid hnco  
539 HOCN cyanic acid hocn  
540 HNCS Isothiocyanic acid hncs  
541 HSCN thiocyanic acid hscn  
542 HCO2- formate anion hco2-  
543 HNNO nitrosoazane hnno  
544 HNNO+ Nitrous oxide, N-protonated hnno+  
545 NNOH+ Nitrous Oxide, O-protonated nnoh+  
546 HNO2 Nitrous acid hno2  
547 O3H+ protonated ozone o3h+  
548 SO2H+ protonated sulfur dioxide so2h+  
549 C2H2O Oxirene oxirene  
550 CH2CO Ketene ch2co  
551 HCCOH ethynol hccoh  
552 CH2CS Thioketene ch2cs  
553 Be(OH)2 Beryllium hydroxide beo2h2  
554 Mg(OH)2 Magnesium dihydroxide h2mgo2  
555 NH2NO Nitrosamide nh2no  
556 CH2O2 Dioxirane diox  
557 H2COO Dioxymethyl radical h2coo  
558 H2COO+ dioxymethyl cation h2coo+  
559 HCOOH Formic acid ch2o2  
560 H2O3 Hydrogen trioxide h2o3  
561 HSSSH trisulfane hsssh  
562 NaOCH3 Sodium methoxide naoch3  
563 CH2BOH hydroxy(methylene)borane ch2boh  
564 BH3CO Borane carbonyl bh3co  
565 CH3BO Borane, methyloxo- ch3bo  
566 CH2COH+ ketene, protonated ch2coh+  
567 CH3CO- Acetyl anion ch3co-  
568 CH3CO+ acetyl cation ch3co+  
569 CH2NOH formaldoxime ch2noh  
570 CH3NO nitrosomethane ch3no  
571 CHONH2 formamide formamide  
572 CNOH3 1,2-oxaziridine cnoh3  
573 HOCHNH hydroxymethylimine hochnh  
574 CHSNH2 thioformamide chsnh2  
575 NHCHSH Methanimidothioic acid nhchsh  
576 CH3OO- methylperoxy anion ch3oo-  
577 C2H4O Ethylene oxide c2h4o  
578 CH2CHOH ethenol ch2choh  
579 CH3CHO Acetaldehyde ch3cho  
580 C2H4S Thiirane thiirane  
581 CH2CHSH Ethenethiol ch2chsh  
582 CH3CHS Thioacetaldehyde ch3chs  
583 H2CONH2+ protonated formamide h2conh2+  
584 NH2CHOH+ Formamide, O-protonated nh2choh+  
585 NH3CHO+ Formamide, N-Protonated nh3cho+  
586 CH2(OH)2 methanediol ch2o2h2  
587 CH3OOH Methyl peroxide ch3ooh  
588 CH3SSH Hydrogen methyl disulfide ch3ssh  
589 HSCH2SH Methanedithiol ch4s2  
590 H2OH2CO water formaldehyde dimer h2oh2co  
591 C2H4OH+ ethylene oxide, protonated c2h4oh+  
592 CH3CHOH+ acetaldehyde, protonated ch3choh+  
593 NH2CH2OH aminomethanol nh2ch2oh  
594 CH3CH2OH Ethanol etoh  
595 CH3OCH3 Dimethyl ether meome  
596 CH3SCH3 Dimethyl sulfide mesme  
597 CH3SeCH3 dimethylselenide dmse  
598 CH3OHH2O methanol water dimer ch3ohh2o  
599 H2OCH3OH water methanol dimer h2och3oh  
600 CNF iso cyanogen fluoride cnf  
601 FCN Cyanogen fluoride fcn  
602 ClCN chlorocyanogen clcn  
603 BrCN Cyanogen bromide brcn  
604 ICN Cyanogen iodide icn  
605 FBO Boron monofluoride monoxide fbo  
606 BeF2 Beryllium fluoride bef2  
607 MgF2 Magnesium fluoride mgf2  
608 BeCl2 Beryllium chloride becl2  
609 MgCl2 Magnesium dichloride mgcl2  
610 CaCl2 Calcium Chloride cacl2  
611 ZnCl2 Zinc dichloride zncl2  
612 BeBr2 Beryllium bromide bebr2  
613 CaBr2 Calcium dibromide cabr2  
614 CaF2 Calcium difluoride caf2  
615 FCO+ Carbonyl fluoride cation fco+  
616 FNO Nitrosyl fluoride fno  
617 ClNO Nitrosyl chloride clno  
618 FNS Thionitrosyl fluoride fns  
619 FSN Thiazyl fluoride fsn  
620 OPCl Phosphorus oxychloride opcl  
621 INO Nitrosyl iodide ino  
622 CF2 Difluoromethylene cf2  
623 CFCl chlorofluoromethylene cfcl  
624 CCl2 dichloromethylene ccl2  
625 SiCl2 Dichlorosilylene sicl2  
626 GeF2 Germanium difluoride gef2  
627 GeCl2 Germanium dichloride gecl2  
628 CBr2 dibromomethylene cbr2  
629 PF2+ Phosphorus difluoride cation pf2+  
630 FClO chlorosyl fluoride fclo  
631 F2O Difluorine monoxide f2o  
632 ClOF Chlorine hypofluorite clof  
633 SF2 sulfur difluoride sf2  
634 Cl2O Dichlorine monoxide cl2o  
635 SCl2 Sulfur dichloride scl2  
636 SeF2 Selenium difluoride sef2  
637 SeCl2 Selenium Dichloride secl2  
638 SBr2 Sulfur dibromide sbr2  
639 SeBr2 Selenium dibromide sebr2  
640 F3- trifluoride anion f3-  
641 Cl3- trichloride anion cl3-  
642 Br3- tribromide anion br3-  
643 I3- triiodide i3-  
644 SFCl Sulfur chloride fluoride sfcl  
645 HCCF Fluoroacetylene hccf  
646 HCCCl Chloroacetylene hcccl  
647 HCCBr bromoacetylene hccbr  
648 HFCO formyl fluoride hfco  
649 BHF2 Difluoroborane bhf2  
650 BHCl2 Borane, dichloro- bhcl2  
651 CHF2+ difluoromethyl cation chf2+  
652 CHFCl+ Chlorofluoromethyl cation chfcl+  
653 CHCl2+ dichloromethyl cation chcl2+  
654 HOClO Chlorous acid hoclo  
655 NHF2 difluoramine nhf2  
656 NHCl2 dichloroamine nhcl2  
657 CH2F2 Methane, difluoro- ch2f2  
658 CH2FCl fluorochloromethane ch2fcl  
659 SiH2F2 difluorosilane sih2f2  
660 CH2Cl2 Methylene chloride ch2cl2  
661 CH2BrF Methane, bromofluoro- ch2fbr  
662 CH2BrCl Methane, bromochloro- ch2clbr  
663 CH2FI fluoroiodomethane ch2fi  
664 CH2Br2 dibromomethane ch2br2  
665 CH2ClI chloroiodomethane ch2cli  
666 CH2BrI bromoiodomethane ch2bri  
667 CH2I2 Diiodomethane ch2i2  
668 SiH2Cl2 dichlorosilane sih2cl2  
669 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
670 CH2CHF+ fluoroethene cation ch2chf+  
671 C2H3Cl Ethene, chloro- ch2chcl  
672 C2H3Br vinyl bromide c2h3br  
673 C2H3I Vinyl iodide c2h3i  
674 CH2FOH fluoromethanol ch2foh  
675 C2H5F fluoroethane c2h5f  
676 CH3CH2Cl Ethyl chloride c2h5cl  
677 CH3SiFH2 fluoromethylsilane ch3sifh2  
678 C2H5Br Ethyl bromide etbr  
679 C2H5I Ethyl iodide c2h5i  
680 KrF2 Krypton difluoride krf2  
681 XeF2 Xenon difluoride xef2  
682 B4H10 Tetraborane(10) b4h10  
683 C4+ Carbon tetramer cation c4+  
684 C4H2 Diacetylene c4h2  
685 C2H3CCH 1-Buten-3-yne c2h3cch  
686 C4H4 cyclobutadiene cbd  
687 C4H4 Tetrahedrane c4h4  
688 H2CCCCH2 Butatriene h2cccch2  
689 C4H6 1-Methylcyclopropene c3100047  
690 C4H6 Cyclobutene c822355  
691 C4H6 Methylenecyclopropane c6142730  
692 CH2CCHCH3 1,2-Butadiene butad12  
693 CH2CHCHCH2 1,3-Butadiene c106990  
694 CH3CCCH3 2-Butyne c503173  
695 CHCCH2CH3 1-Butyne c107006  
696 C4H8 methylcyclopropane mcp  
697 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
698 CH2CHCH2CH3 1-Butene bute1  
699 CH3CHCHCH3 2-Butene, (E)- bute2e  
700 CH3CHCHCH3 2-Butene, (Z)- bute2z  
701 B(CH3)3 trimethylborane bme3  
702 Al(CH3)3 trimethyl aluminum tma  
703 CH3CH(CH3)CH3 Isobutane isobutane  
704 CH3CH2CH2CH3 Butane butane  
705 SiH(CH3)3 trimethylsilane trimsi  
706 Li3N trilithium nitride li3n  
707 C2N2 Cyanogen c2n2  
708 P4 Phosphorus tetramer p4  
709 As4 Arsenic tetramer as4  
710 HCCCN Cyanoacetylene hcccn  
711 H2CNCN cyanamide, methylene ch2ncn  
712 HNCCNH Ethenediimine hnccnh  
713 C3H3N acrylonitrile ch2chcn  
714 CH3N3 methyl azide ch3n3  
715 NH2CCNH2 Diaminoacetylene daa  
716 NH2CH2CN Aminoacetonitrile aan  
717 CH3NHN2+ methyl azide, protonated ch3nhn2+  
718 C2H5CN ethyl cyanide c2h5cn  
719 CH5N3 Guanidine guanidine  
720 C4H6 Bicyclo[1.1.0]butane c157335  
721 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
722 H2NCHCHNH2 diaminoethylene dae  
723 CH6N3+ guanidinium ch6n3+  
724 C3H7N Cyclopropylamine cpram  
725 CH7N3 triaminomethane tam  
726 C3H7N Azetidine azet  
727 C4H8 cyclobutane cbutane  
728 C2H8N2 Ethylenediamine ethdiam  
729 CH3NHNHCH3 dimethyl hydrazine dmh  
730 CH3CH(NH2)CH3 2-Propanamine pram2  
731 N(CH3)3 Trimethylamine trimeam  
732 NH2CH2CH2CH3 1-Propanamine pram1  
733 P(CH3)3 trimethylphosphine tmp  
734 N(SiH3)3 trisilylamine tsa  
735 As(CH3)3 trimethyl arsine tmas  
736 (CH3)3NH+ protonated trimethyl amine ptma  
737 C3H7NH3+ n-propylamine, protonated c3h7nh2  
738 Li2O2 dilithium dioxide li2o2  
739 Na2O2 disodium dioxide na2o2  
740 K2O2 dipotassium dioxide k2o2  
741 C3O Tricarbon monoxide c3o  
742 B2O2 Diboron dioxide b2o2  
743 ONNO NO dimer onno  
744 S2N2 Disulfur dinitride s2n2  
745 CO3 Carbon trioxide co3  
746 CO3-- carbonate co3--  
747 CS3-- Carbonotrithioate cs3--  
748 NO3- nitrate anion no3-  
749 SO3 Sulfur trioxide so3  
750 SO3-- Sulfate dianion so3--  
751 SeO3 selenium trioxide seo3  
752 S4 Sulfur tetramer s4  
753 TeO3 Tellurium trioxide teo3  
754 HCO3- bicarbonate anion hco3-  
755 HNO3 Nitric acid hno3  
756 NH2NO2 nitramide nh2no2  
757 C2H2CO cyclopropenone c2h2co  
758 C3H2O Propadienal c3h2o  
759 HCCCHO 2-propynal hcccho  
760 C2H2O2+ Ethanedial cation c2h2o2+  
761 H2CO3 Carbonic acid h2co3  
762 H2CS3 thiocarbonic acid h2cs3  
763 H2NO3+ Nitric Acid, Protonated h2no3+  
764 H2SO3 Sulfurous acid h2so3  
765 C2H3NO Nitrosoethylene c2h3no  
766 CH3NCO methylisocyante ch3nco  
767 HOCH2CN cyanomethanol hoch2cn  
768 CH3COO- acetate anion ch3coo-  
769 CH3NO2 Methane, nitro- ch3no2  
770 CH3ONO Methyl nitrite ch3ono  
771 NH2COOH Carbamic acid nh2cooh  
772 H3BO3 Boric acid h3bo3  
773 H3AlO3 Aluminum hydroxide h3alo3  
774 H3CO3+ carbonic acid, protonated h3co3+  
775 C3H4O 2-Propyn-1-ol c107197  
776 C3H4O allenol c9000071  
777 C3H4O Cyclopropanone cpone  
778 C3H4O Methylketene c6004440  
779 CH2CHCHO Acrolein c3h4o  
780 NH2CONH2 Urea urea  
781 NH2CONH2+ Urea cation urea+  
782 NH2CSNH2 Thiourea thiourea  
783 C2H4O2 1,3-dioxetane c2h4o2  
784 CH3COOH Acetic acid ch3cooh  
785 CH3OCHO methyl formate ch3ocho  
786 CHOCH2OH hydroxy acetaldehyde haa  
787 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
788 NH3COOH+ protonated Carbamic acid nh3cooh+  
789 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
790 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
791 HCOOHH2O Formic acid water dimer hcoohh2o  
792 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
793 CH2C(OH)NH2 1-amino vinyl alchohol ava  
794 CH3C(OH)=NH Ethaninidic acid eia  
795 CH3CHNOH Acetaldoxime acetaldoxime  
796 CH3CONH2 Acetamide acetamide  
797 HCONHCH3 N-methylformamide nmfa  
798 CH3CSNH2 Ethanethioamide ch3csnh2  
799 CH5N2O+ urea, N-protonated ch4n2o+  
800 H2NCOHNH2+ urea, protonated ureah+  
801 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
802 C3H5OH Cyclopropanol cproh  
803 C3H6O 2-Propen-1-ol c107186  
804 C3H6O Acetone enol enol  
805 C3H6O Oxetane oxetane  
806 C3H6O Propylene oxide prox  
807 CH3CH2CHO Propanal propanal  
808 CH3COCH3 Acetone acetone  
809 C3H6S Thietane thietane  
810 C3H6S Thiirane, methyl- methiirane  
811 CH3CSCH3 Thioacetone ch3csch3  
812 C2H6O2 1,2-Ethanediol ethdiol  
813 CH3OOCH3 dimethylperoxide dmp  
814 CH3SOCH3 Dimethyl sulfoxide dmso  
815 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
816 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
817 CH3COHCH3+ acetone, protonated acetoneh+  
818 HOCH2CH2NH2 monoethanolamine mea  
819 C3H7OH 1-Propanol proh  
820 CH3CHOHCH3 Isopropyl alcohol isoproh  
821 CH3OC2H5 Ethane, methoxy- etome  
822 C3H7SH 1-Propanethiol prsh  
823 CH3CHSHCH3 2-Propanethiol isoprsh  
824 CH3SCH2CH3 Ethane, (methylthio)- etsme  
825 H2OCH3OCH3 water dimethylether dimer h2och3och3  
826 Li2F2 Lithium fluoride dimer li2f2  
827 Na2F2 Sodium Fluoride Dimer na2f2  
828 Na2Cl2 Disodium dichloride na2cl2  
829 C2F2 difluoroacetylene c2f2  
830 C2Cl2 dichloroacetylene c2cl2  
831 FNO2 Nitryl fluoride fno2  
832 FONO Nitrosyl hypofluorite fono  
833 ClNO2 Nitryl chloride clno2  
834 ClONO chlorine nitrite clono  
835 N2F2 (Z)-Difluorodiazene n2f2_z  
836 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
837 CF2O Carbonic difluoride f2co  
838 CCl2O Phosgene cl2co  
839 Cl2CS Thiophosgene cl2cs  
840 BF3 Borane, trifluoro- bf3  
841 AlF3 Aluminum trifluoride alf3  
842 BClF2 Chlorodifluoroborane bclf2  
843 AlF2Cl Aluminum chloride difluoride alclf2  
844 ScF3 Scandium trifluoride ScF3  
845 AlFCl2 Aluminum dichloride fluoride alcl2f  
846 BCl3 Borane, trichloro- bcl3  
847 GaF3 Gallium trifluoride gaf3  
848 AlCl3 Aluminum trichloride alcl3  
849 GaCl3 Gallium trichloride gacl3  
850 BBr3 Boron tribromide bbr3  
851 AlBr3 Aluminum Bromide albr3  
852 ClO3 Chlorine trioxide clo3  
853 ClO3- chlorate anion clo3-  
854 BrO3- Bromate anion bro3-  
855 SiCl3 trichlorosilyl radical sicl3  
856 SiCl3+ trichlorosilyl cation sicl3+  
857 FOOF Perfluoroperoxide foof  
858 ClO2F Chloryl fluoride clo2f  
859 F2SO Thionyl Fluoride f2so  
860 ClOOCl Dichlorine dioxide cloocl  
861 FSSF Difluorodisulfane fssf  
862 S2F2 Thio-thionyl fluoride s2f2  
863 SOCl2 thionyl chloride socl2  
864 SSCl2 Thiothionyl chloride sscl2  
865 SeOCl2 selenium oxychloride seocl2  
866 PF3 Phosphorus trifluoride pf3  
867 NCl3 nitrogen trichloride ncl3  
868 AsF3 Arsenic trifluoride asf3  
869 PCl3 Phosphorus trichloride pcl3  
870 SbF3 Antimony Trifluoride sbf3  
871 AsCl3 Arsenous trichloride ascl3  
872 SbCl3 Antimony Trichloride sbcl3  
873 NBr3 Nitrogen Tribromide nbr3  
874 PBr3 Phosphorus tribromide pbr3  
875 AsBr3 Arsenic tribromide asbr3  
876 NI3 Nitrogen triiodide ni3  
877 PI3 Phosphorus triiodide pi3  
878 ClSSCl Disulfur dichloride s2cl2  
879 ClF3 Chlorine trifluoride clf3  
880 BrF3 Bromine trifluoride brf3  
881 IF3 iodone trifluoride if3  
882 HClO3 Chloric Acid hclo3  
883 CHF3 Methane, trifluoro- chf3  
884 CHF2Cl difluorochloromethane chf2cl  
885 SiHF3 trifluorosilane sihf3  
886 CHFCl2 fluorodichloromethane chfcl2  
887 CDCl3 trichloromethane-d cdcl3  
888 CHCl3 Chloroform chcl3  
889 SiHCl3 Trichlorosilane sihcl3  
890 CHFClBr fluorochlorobromomethane chfclbr  
891 CHF2I difluoroiodomethane chf2i  
892 CHBr2F dibromofluoromethane chbr2f  
893 CHFClI fluorochloroiodomethane chfcli  
894 CHCl2I dichloroiodomethane chcl2i  
895 CHBr3 bromoform chbr3  
896 CHI3 Iodoform chi3  
897 NF3H+ protonated nitrogen trifluoride nf3h+  
898 AsF3H+ Arsenic trifluoride, protonated asf3h+  
899 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
900 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
901 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
902 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
903 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
904 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
905 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
906 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
907 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
908 C2H2Br2 1,1-dibromoethene c2h2br2  
909 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
910 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
911 CH2FCHO Fluoroacetaldehyde ch2fcho  
912 CH3COF Acetyl fluoride ch3cof  
913 CH3COCl Acetyl Chloride ch3cocl  
914 C2H4F2 1,2-difluoroethane c2h4f2  
915 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
916 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
917 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
918 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
919 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
920 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
921 CH2CFCH3 2-fluoropropene 2fpro  
922 CH2CHCH2F Allyl Fluoride allylf  
923 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
924 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
925 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
926 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
927 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
928 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
929 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
930 CH2FCH2CH3 1-Fluoropropane prf1  
931 CH3CHFCH3 2-Fluoropropane prf2  
932 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
933 CH3CHClCH3 Propane, 2-chloro- prcl2  
934 C3H9O+ trimethyl oxonium cation c3h9o+  
935 B5H9 pentaborane9 b5h9  
936 C5H4 pentatetraene ptrene  
937 C5H5- cylopentadienyl anion c5h5-  
938 C5H6 1,3-Cyclopentadiene c542927  
939 C5H6 1-Buten-3-yne, 2-methyl- c78808  
940 C5H6 3-Penten-1-yne, (E)- c2004695  
941 C5H6 3-Penten-1-yne, (Z)- c1574409  
942 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
943 C5H6 Cyclopropylacetylene c6746947  
944 C5H6 Propellane propellane  
945 C5H7 1,3-pentadienyl radical pdyl  
946 C5H8 1,2-Butadiene, 3-methyl- c598254  
947 C5H8 1,2-Pentadiene c591957  
948 C5H8 1,3-Butadiene, 2-methyl- c78795  
949 C5H8 1,3-Pentadiene, (E)- c2004708  
950 C5H8 1,3-Pentadiene, (Z)- c1574410  
951 C5H8 1,4-Pentadiene c591935  
952 C5H8 1-pentyne a1pentyne  
953 C5H8 2,3-Pentadiene c591968  
954 C5H8 Bicyclo[1.1.1]pentane bcp  
955 C5H8 Cyclobutane, methylene- c1120565  
956 C5H8 Cyclopentene c142290  
957 C5H8 Ethenylcyclopropane c693867  
958 CH3CCCH2CH3 2-Pentyne 2pentyne  
959 C5H10 1-Butene, 2-methyl- c563462  
960 C5H10 2-Butene, 2-methyl- c513359  
961 C5H10 2-Pentene, (E)- c646048  
962 C5H10 2-Pentene, (Z)- c627203  
963 C5H10 Cyclopentane c287923  
964 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
965 CH2CHCH2CH2CH3 1-pentene pentene  
966 C5H12 Butane, 2-methyl- buta2  
967 C5H12 Pentane pentane  
968 C5H12 Propane, 2,2-dimethyl- neopentane  
969 Si(CH3)4 tetramethylsilane tms  
970 N2O3 Dinitrogen trioxide n2o3  
971 C3H2N2 Malononitrile c3h2n2  
972 CH2N4 1H-Tetrazole 1htz  
973 C3H3N2- imidizolyl anion im-  
974 C2H3N3 1H-1,2,4-Triazole c288880  
975 C4H4N- pyrrolide anion c4h4n-  
976 C3H4N2 1H-Imidazole 1himidaz  
977 C3H4N2 1H-Pyrazole 1hpyraz  
978 C3H4N2 2H-Imidazole imid2h  
979 C3H4N2 4H-Imidazole imid4h  
980 C4H5N (E)-2-Butenenitrile c627269  
981 C4H5N (Z)-2-Butenenitrile c1190767  
982 C4H5N 2H-pyrrole pyrrole2  
983 C4H5N 3H-pyrrole pyrrole3  
984 C4H5N Cyclopropanecarbonitrile c5500210  
985 C4H5N Pyrrole pyrrole  
986 CH2CHCH2CN Allylcyanide ch2chch2cn  
987 C4H6N+ pyrrole, alpha-protonated appyr  
988 C4H6N+ pyrrole, beta-protonated bppyr  
989 C4H6N+ pyrrole, protonated ppyr  
990 C3H6N2 3-Aminopropionitrile c151188  
991 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
992 CH3CH2CH2CN Butanenitrile c109740  
993 C5H8 Bicyclo[2.1.0]pentane c185944  
994 C5H8 Spiropentane c157404  
995 C4H9N Cyclobutylamine cbam  
996 C4H9N Pyrrolidine pyrrolidine  
997 C3H10N2 1,2-Diaminopropane diampr12  
998 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
999 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1000 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1001 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1002 NH(C2H5)2 diethylamine dea  
1003 NC4H12+ tetramethyl ammonium cation nc4h12+  
1004 C3O2 Carbon suboxide c3o2  
1005 B2O3 diboron trioxide b2o3  
1006 MgCO3 Magnesium Carbonate mgco3  
1007 BeCO3 Beryllium Carbonate beco3  
1008 CaCO3 Calcium Carbonate caco3  
1009 ONONO Nitrosyl nitrite onono  
1010 PO4--- phosphate po4---  
1011 SO4-- sulfate so4--  
1012 HOONO2 peroxy nitric acid hoono2  
1013 HSO4- bisulfate anion hso4-  
1014 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1015 C3H2O2 Propiolic acid c3h2o2  
1016 CHOCOOH oxo acetic acid oaa  
1017 CHOOCHO diformyl ether choocho  
1018 H2SO4 Sulfuric acid h2so4  
1019 H2SeO4 Selenic acid h2seo4  
1020 C3H3NO Isoxazole isox  
1021 C3H3NO Oxazole oxazole  
1022 C3H3NS Thiazole thiazole  
1023 CH3C(O)OO acetyl peroxy radical ch3coo2  
1024 CH3NO3 Methyl nitrate ch3no3  
1025 H3PO4 Phosphoric Acid h3po4  
1026 C4H4O Furan furan  
1027 C4H4O+ Furan cation furan+  
1028 CH3COCCH 3-butyn-2-one c1423605  
1029 C4H4S Thiophene furans  
1030 C4H4Se selenophene c4h4se  
1031 C3H4O2 β–Propiolactone beta  
1032 C3H4O2 2-Propenoic acid propenoic2  
1033 C3H4O2 Methyl glyoxal megly  
1034 C3H4O2 propanedial propanedial  
1035 C3H4O2 propenalol propenalol  
1036 HOCHCCHOH allenediol aldiol  
1037 C2H4O3 1,2,3-trioxolane c2h4o3  
1038 C2H4O3 trioxolane124 triox  
1039 HOCH2COOH Hydroxyacetic acid hac  
1040 CH2CHCONH2 Acrylamide c79061  
1041 CH3OCH2CN Methoxyacetonitrile c1738369  
1042 CH5N3S Hydrazinecarbothioamide c79196  
1043 H2NCH2COOH Glycine glycine  
1044 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1045 C4H6O cis-2-butenal butenal2c  
1046 C4H6O Cyclobutanone cbutone  
1047 C4H6O Furan, 2,3-dihydro- furan23h  
1048 C4H6O Furan, 2,5-dihydro- furan25h  
1049 CH2CHOCHCH2 Vinyl ether vinylether  
1050 CHOCHCHCH3 2-Butenal butenal2  
1051 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1052 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1053 CH2CHSCHCH2 Divinyl sulfide divis  
1054 C2H6N2O Urea, methyl- c598505  
1055 C3H6O2 1,3-Dioxolane dioxolane  
1056 CH3CH2COOH Propanoic Acid propanoic  
1057 CH3COOCH3 methyl acetate aame  
1058 HCOOC2H5 Ethyl formate faee  
1059 C2H6O2S Dimethyl sulfone c67710  
1060 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1061 C3H7NO dimethylformamide dmf  
1062 C3H7NO Propanamide propanam  
1063 C2H3OC2H5 Ethene, ethoxy- c109922  
1064 C4H8O Cyclobutanol c2919235  
1065 C4H8O Furan, tetrahydro- thf  
1066 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1067 CH3COCH2CH3 2-Butanone buta2one  
1068 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1069 CHOCH2CH2CH3 Butanal butanal  
1070 C4H8S Thiophene, tetrahydro- tht  
1071 C3H8O2 1,3-Propanediol c504632  
1072 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1073 C3H8O2 Methane, dimethoxy- c109875  
1074 C3H8O2 Propylene glycol c57556  
1075 C3H8S2 1,3-Propanedithiol c109808  
1076 C4H10O 1-Butanol butanol1  
1077 C4H10O 1-Propanol, 2-methyl- c78831  
1078 C4H10O 2-Butanol, (.+/-.)- butanol2  
1079 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1080 C4H10O Ethoxy ethane etoet  
1081 C4H10O Methyl propyl ether meopr  
1082 C4H10O Propane, 2-methoxy- c598538  
1083 C4H10O+ 1-Butanol cation butanol1+  
1084 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1085 C2H5SC2H5 Diethyl sulfide etset  
1086 C4H9SH 1-Butanethiol bush  
1087 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1088 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1089 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1090 FNO3 Fluorine nitrate fno3  
1091 ClONO2 Chlorine nitrate clono2  
1092 BrONO2 Bromine nitrate brono2  
1093 TiCl4 Titanium tetrachloride ticl4  
1094 ClO4- perchlorate anion clo4-  
1095 BF4- tetrafluoroboron anion bf4-  
1096 ClFO3 Perchloryl fluoride clfo3  
1097 SO2F2 Sulfuryl fluoride so2f2  
1098 SO2Cl2 Sulfuryl chloride so2cl2  
1099 F3NO Nitrogen trifluoride oxide f3no  
1100 F3PO Phosphoryl fluoride pf3o  
1101 Cl3PO Phosphoryl chloride pcl3o  
1102 CF4 Carbon tetrafluoride cf4  
1103 CF3Cl Methane, chlorotrifluoro- cf3cl  
1104 SiF4 Silicon tetrafluoride sif4  
1105 CF2Cl2 difluorodichloromethane cf2cl2  
1106 TiF4 Titanium tetrafluoride tif4  
1107 CFCl3 Trichloromonofluoromethane cfcl3  
1108 CF3Br Bromotrifluoromethane cf3br  
1109 GeF4 Germanium tetrafluoride gef4  
1110 CCl4 Carbon tetrachloride ccl4  
1111 CCl4+ Carbon tetrachloride cation ccl4+  
1112 SiCl4 Silane, tetrachloro- sicl4  
1113 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1114 CF3I trifluoroiodomethane cf3i  
1115 CBrCl3 Methane, bromotrichloro- cbrcl3  
1116 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1117 GeCl4 Germanium Tetrachloride gecl4  
1118 CBr2ClF dibromochlorofluoromethane cbr2clf  
1119 CBr2Cl2 dibromodichloromethane cbr2cl2  
1120 CCl3I trichloroiodomethane ccl3i  
1121 CFBr3 fluorotribromomethane cfbr3  
1122 CFClBrI fluorochlorobromoiodomethane cfclbri  
1123 CBr3Cl tribromochloromethane cbr3cl  
1124 CF2I2 difluorodiiodomethane cf2i2  
1125 CCl2I2 dichlorodiiodomethane ccl2i2  
1126 SiBr4 Silicon tetrabromide sibr4  
1127 CBr3I tribromoiododmethane cbr3i  
1128 GeBr4 Germanium tetrabromide gebr4  
1129 CI4 tetraiodomethane ci4  
1130 SiI4 silicon tetraiodide sii4  
1131 ClOF3 Chlorine trifluoride oxide clof3  
1132 SF4 Sulfur tetrafluoride sf4  
1133 SeF4 Selenium tetrafluoride sef4  
1134 SCl4 Sulfur tetrachloride scl4  
1135 C2HF3 Trifluoroethylene c2hf3  
1136 CHClCCl2 Trichloroethylene chclccl2  
1137 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1138 HClO4 perchloric acid hclo4  
1139 HSO3F Fluorosulfonic acid hso3f  
1140 CF3OH trifluoromethanol cf3oh  
1141 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1142 CHClCCHCl 1,3-dichloroallene chclcchcl  
1143 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1144 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1145 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1146 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1147 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1148 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1149 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1150 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1151 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1152 NH3BCl3 Amminetrichloroboron nh3bcl3  
1153 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1154 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1155 C3H5ClO Oxirane, (chloromethyl)- c106898  
1156 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1157 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1158 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1159 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1160 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1161 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1162 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1163 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1164 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1165 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1166 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1167 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1168 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1169 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1170 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1171 C4H9F 1-fluorobutane butaf1  
1172 CH3CHFCH2CH3 2-fluorobutane butaf2  
1173 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1174 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1175 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1176 XeF4 Xenon tetrafluoride xef4  
1177 C2H2N2O Furazan furazan  
1178 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1179 NH3BF3 Amminetrifluoroboron nh3bf3  
1180 C6H2 hexatriyne c6h2  
1181 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1182 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1183 C6H4 Benzyne benzyne  
1184 C6H5- phenyl anion phenyl-  
1185 C6H6 Prismane prismane  
1186 C6H6 1,2,4,5-Hexatetraene ht1245  
1187 C6H6 2,4-Hexadiyne hexadiyne  
1188 C6H6 3,4-Dimethylenecyclobutene cb34m  
1189 C6H6 Benzene benzene  
1190 C6H6 Benzvalene bv  
1191 C6H6 Dewar Benzene dewar  
1192 C6H6 Hexa-1,5-diene-3-yne hdy153  
1193 C6H6 Trimethylenecycopropane tmcp  
1194 C6H6+ Benzene cation c6h6+  
1195 C6H7+ benzene, protonated c6h7+  
1196 C6H8 (E)-hexa-1,3,5-triene c821078  
1197 C6H8 (E)-hexa-2,3,4-triene c59660650  
1198 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1199 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1200 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1201 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1202 C6H8 3-Methylenecyclopentene c930267  
1203 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1204 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1205 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1206 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1207 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1208 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1209 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1210 C6H10 1,5-Hexadiene c592427  
1211 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1212 C6H10 1-Hexyne hexyne1  
1213 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1214 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1215 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1216 C6H10 2-Hexyne c764352  
1217 C6H10 3-Hexyne hexyne3  
1218 C6H10 cyclohexene cyclohexene  
1219 C6H10 Cyclopentene, 1-methyl- c693890  
1220 C6H10 Cyclopentene, 3-methyl- c1120623  
1221 C6H10 Cyclopentene, 4-methyl- c1759815  
1222 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1223 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1224 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1225 C6H12 (E)-2-Hexene e2hexene  
1226 C6H12 (E)-3-methylpent-2-ene c616126  
1227 C6H12 (E)-hex-3-ene e3hexene  
1228 C6H12 (Z)-3-methylpent-2-ene c922623  
1229 C6H12 (Z)-hex-2-ene z2hexene  
1230 C6H12 (Z)-hex-3-ene z3hexene  
1231 C6H12 2,3-dimethylbut-1-ene c563780  
1232 C6H12 2,3-dimethyl-but-2-ene tmeet  
1233 C6H12 3-methylenepentane c760214  
1234 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1235 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1236 C6H12 Cyclohexane cyclohexane  
1237 C6H12 Cyclopentane, methyl- c96377  
1238 C6H12 Ethylcyclobutane c4806615  
1239 C6H12 hex-1-ene hexene1  
1240 C6H14 Butane, 2,2-dimethyl- buta22  
1241 C6H14 Butane, 2,3-dimethyl- buta23  
1242 C6H14 Hexane hexane  
1243 C6H14 Pentane, 2-methyl- penta2  
1244 C6H14 Pentane, 3-methyl- penta3  
1245 C4N2 2-Butynedinitrile c4n2  
1246 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1247 C4H2N2 Fumaronitrile c4h2n2  
1248 C2H2N4 sym-tetrazine ttz  
1249 C3H3N3 1,3,5-Triazine triazine135  
1250 CH3N5 5-Aminotetrazole c4418615  
1251 C4H4N2 1,3-Diazine diazine13  
1252 C4H4N2 Pyrazine pyrazine  
1253 C4H4N2 Pyridazine pyridazine  
1254 C4H4N2 Succinonitrile c110612  
1255 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1256 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1257 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1258 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1259 C5H5N E-2,4-pentadienenitrile bdcn  
1260 C5H5N Pyridine pyridine  
1261 B3N3H6 borazine borazine  
1262 C6H6 Fulvene fulvene  
1263 C5H6N+ Pyridinium c5h6n  
1264 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1265 C5H7N (E)-2-Pentenenitrile c26294984  
1266 C5H7N (E)-3-Pentenenitrile c16529661  
1267 C5H7N (Z)-2-Pentenenitrile c25899507  
1268 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1269 C5H7N Cyclobutanecarbonitrile c4426113  
1270 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1271 C5H9N Butanenitrile, 2-methyl- c18936179  
1272 C5H9N Pentanenitrile c110598  
1273 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1274 C6H10 Bicyclo[3.1.0]hexane c285585  
1275 C5H11N Cyclopentanamine cypentam  
1276 C5H11N Piperidine piper  
1277 C4H12N2 1,2-Butanediamine c4426486  
1278 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1279 Li2CO3 Lithium Carbonate li2co3  
1280 Na2CO3 Sodium Carbonate na2co3  
1281 C2O4-- oxalate anion c2o4  
1282 MgSO4 Magnesium Sulfate mgso4  
1283 N2O4 Dinitrogen tetroxide n2o4  
1284 C3H2O3 vinylene carbonate vica  
1285 C2H2O4 Oxalic Acid oxalic  
1286 C2H3NO3 Oxamic acid oxamic  
1287 C4H4O2 2(5H)-Furanone furanone  
1288 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1289 C2H4N2O2 Oxalamide oxalamide  
1290 C2H4N2S2 Ethanedithioamide c79403  
1291 C2H4CO3 Ethylene carbonate etco3  
1292 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1293 C3H4S3 1,3-Dithiolane-2-thione c822388  
1294 C2H4O4 Formic acid dimer fadimer  
1295 C4H5NO 3-Methylisoxazole isox3m  
1296 C4H5NO Isoxazole, 5-methyl- c5765446  
1297 C4H5NS 4-Methylthiazole c693958  
1298 C2H5NO3 Nitric acid, ethyl ester c625581  
1299 C5H6O 2H-Pyran pyran2  
1300 C5H6O 2-methylfuran furan2m  
1301 C5H6O 3-Methylfuran furan3m  
1302 C5H6O Pentadienal pdal  
1303 C5H6S Thiophene, 2-methyl- c554143  
1304 C5H6S Thiophene, 3-methyl- c616444  
1305 C4H6O2 γ–Butyrolactone c96480  
1306 C4H6O2 2,3-Butanedione c431038  
1307 C4H6O2 2-Propenoic acid, methyl ester c96333  
1308 C4H6O2 Crotonic Acid crot  
1309 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1310 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1311 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1312 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1313 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1314 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1315 C4H6OS Vinyl sulfoxide c1115157  
1316 CH6N4S Carbonothioic dihydrazide thiacarb  
1317 C2H6N2O2 (E)-Azodioxymethane c37765154  
1318 C2H6N2O2 Dimethylnitroamine c4164287  
1319 C3H6O3 1,3,5-Trioxane trioxane  
1320 C3H6S3 1,3,5-Trithiane c3h6s3  
1321 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1322 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1323 C4H7NO 2-Pyrrolidinone c616455  
1324 C4H7NO Ethoxyacetonitrile etoaccn  
1325 C4H7NO Methacrylamide c79390  
1326 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1327 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1328 C3H7ONO Propyl nitrite prono  
1329 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1330 CH3CH(NH2)COOH Alanine alanine  
1331 CH3NHCH2COOH Sarcosine sarcosine  
1332 NH2CH2CH2COOH β–alanine betaalanine  
1333 NH2COOC2H5 Urethane urethane  
1334 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1335 C5H8O Cyclopentanone c120923  
1336 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1337 C5H8O Methyl cyclopropyl ketone c765435  
1338 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1339 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1340 NH2CONHC2H5 Urea, ethyl- c625525  
1341 C4H8O2 1,3-Dioxane dioxan13  
1342 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1343 C4H8O2 1,4-Dioxane dioxan14  
1344 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1345 C4H8O2 Ethyl acetate c141786  
1346 C4H8OS s-Ethyl thioacetate c625605  
1347 C3H8O3 1,2,3-Propanetriol glycerin  
1348 C3H8O2S (Methylsulfonyl)ethane c594434  
1349 C4H9NO Butanamide c541355  
1350 C4H9NO Propanamide, 2-methyl- c563837  
1351 C5H10O 2-Butanone, 3-methyl- c563804  
1352 C5H10O 2H-Pyran, tetrahydro- c142687  
1353 C5H10O 2-methylbutyraldehyde 2meba  
1354 C5H10O 2-Pentanone mpk  
1355 C5H10O 3-Pentanone dek  
1356 C5H10O Cyclopentanol c96413  
1357 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1358 C5H10O Pentanal pal  
1359 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1360 C5H10S 3-Ethylthio-1-propene c5296628  
1361 C5H10S Cyclopentanethiol c1679078  
1362 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1363 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1364 C4H10O2 1,1-Dimethoxyethane c534156  
1365 C4H10O2 1,3-Butanediol budiol13  
1366 C4H10O2 1,4-Butanediol budiol14  
1367 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1368 C4H10OS Diethyl sulfoxide c70291  
1369 C4H10S2 1,4-Butanedithiol budisl14  
1370 C4H11NO Diethylhydroxylamine c3710847  
1371 C5H12O 1-Butanol, 2-methyl- c137326  
1372 C5H12O 1-Butanol, 3-methyl- c123513  
1373 C5H12O 1-Pentanol pentanol1  
1374 C5H12O 2-Butanol, 3-methyl- c598754  
1375 C5H12O 2-Pentanol peol2  
1376 C5H12O 3-Pentanol pentan3ol  
1377 C5H12O Butane, 1-methoxy- meobu  
1378 C5H12O Propane, 1-ethoxy- proet  
1379 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1380 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1381 C5H12S 1-Butanethiol, 3-methyl- c541311  
1382 C5H12S 1-Pentanethiol c110667  
1383 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1384 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1385 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1386 C5H12S Butane, 1-(methylthio)- c628295  
1387 C5H12S Ethyl propyl sulfide c4110503  
1388 C5H12S Propane, 2-(ethylthio)- c5145993  
1389 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1390 C4F2 difluorobutadiyne c4f2  
1391 ClCOClCO Oxalyl chloride oxcl  
1392 CF3CN Acetonitrile, trifluoro- cf3cn  
1393 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1394 B2F4 Diboron tetrafluoride b2f4  
1395 B2Cl4 Diboron tetrachloride b2cl4  
1396 C2F4 Tetrafluoroethylene c2f4  
1397 C2F4+ Tetrafluoroethylene cation c2f4+  
1398 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1399 CF2CCl2 difluorodichloroethylene cf2ccl2  
1400 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1401 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1402 C2FCl3 fluorotrichloroethene c2fcl3  
1403 C2Cl4 Tetrachloroethylene c2cl4  
1404 C2Br4 tetrabromoethene c2br4  
1405 CF3OF Trifluoromethylhypofluorite cf3of  
1406 SiF5- silicon pentafluoride anion sif5-  
1407 SOF4 Sulfur tetrafluoride oxide sof4  
1408 PF5 Phosphorus pentafluoride pf5  
1409 AsF5 Arsenic pentafluoride asf5  
1410 PCl5 Phosphorus pentachloride pcl5  
1411 SF5+ pentafluoro sulfur cation sf5+  
1412 SbCl5 Antimony pentachloride sbcl5  
1413 BrF5 bromine pentafluoride brf5  
1414 ClF5 chlorinepentafluoride clf5  
1415 IF5 pentafluoroiodine if5  
1416 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1417 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1418 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1419 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1420 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1421 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1422 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1423 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1424 CF3COOH trifluoroacetic acid cf3cooh  
1425 C4H3ClO Furan, 2-chloro fur2cl  
1426 C4H3ClO Furan,3-chloro fur3cl  
1427 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1428 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1429 C4H8Cl2 1,4-Dichlorobutane c110565  
1430 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1431 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1432 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1433 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1434 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1435 C5H11Cl Pentane, 1-chloro- pencl1  
1436 C4H8O2 Butanoic acid bua  
1437 C7H7+ cycloheptatrienyl cation c7h7+  
1438 C6H5CH3 toluene toluene  
1439 C7H8 cycloheptatriene cht  
1440 C7H8 Norbornadiene norbor  
1441 C7H8 Quadricyclane qucy  
1442 C7H12 Norbornane nor  
1443 C7H14 cycloheptane c7h14  
1444 C7H16 2-methylhexane 2mhex  
1445 C7H16 3-methylhexane hex3m  
1446 C7H16 heptane heptane  
1447 CH(CN)3 tricyanomethane mecn3  
1448 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1449 C6H7N 2-Methylpyridine mp  
1450 C6H5NH2 aniline aniline  
1451 C6H13N 2-Methylpiperidine pip2m  
1452 C6H15N triethylamine tea  
1453 N2O5 Dinitrogen pentoxide n2o5  
1454 C4H2O3 Maleic Anhydride malan  
1455 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1456 C5H4O2 furfural furfural  
1457 C5H5NO 2(1H)-Pyridinone c72762006  
1458 C5H5NO 2(3H)-Pyridinone c9000048  
1459 C5H5NO 2(5H)-Pyridinone c9000037  
1460 C5H5NO 2-Pyridinol c109104  
1461 C5H5NO 3(2H)-Pyridinone c9000004  
1462 C5H5NO 3(4H)-Pyridinone c9000026  
1463 C5H5NO 3(6H)-Pyridinone c9000015  
1464 C5H5NO 3-Pyridinol c109002  
1465 C5H5NO 4(1H)-Pryidinone c9000060  
1466 C5H5NO 4(3H)-Pryidinone c9000059  
1467 C5H5NO 4-Pyridinol c626642  
1468 C6H5OH phenol phenol  
1469 C6H6O 2,4-Cyclohexadienone c24599573  
1470 C6H6O 2,5-Cyclohexadienone c5664335  
1471 C6H5SH Benzenethiol phsh  
1472 HO2CCHNH2CH2OH Serine serine  
1473 C5H8O2 Acetylacetone acac  
1474 C4H8O2S Sulfolane sulfolane  
1475 C7H10 Norbornene norbornene  
1476 CH(C2H3)3 trivinyl methane tvm  
1477 C6H10O cyclohexanone chexo  
1478 C6H12O hexanal c6h12o  
1479 C6H12O Oxepane oxepane  
1480 C3H7OC3H7 di-n-propyl ether propr  
1481 F2CCCF2 tetrafluoroallene pfa  
1482 CF3COO- trifluoro acetate anion cf3coo-  
1483 CF3COF trifluoroacetyl fluoride cf3cof  
1484 CF3COCl trifluoroacetyl chloride cf3cocl  
1485 PF6- Hexafluorophosphate ion pf6-  
1486 SF6 Sulfur Hexafluoride sf6  
1487 SeF6 Selenium hexafluoride sef6  
1488 SF5Cl sulfur chloropentafluoride sf5cl  
1489 CF3CHF2 pentafluoroethane cf3chf2  
1490 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1491 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1492 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1493 CCl3CHCl2 pentachloroethane ccl3chcl2  
1494 C6H5F Fluorobenzene bzf  
1495 C6H5Cl chlorobenzene bzcl  
1496 C6H5Br bromobenzene bzbr  
1497 C8H6 Calicene calicene  
1498 C6H5CCH phenylacetylene phac  
1499 C8H6 benzocyclobutadiene bcbd  
1500 C8H6 Pentalene pentalene  
1501 C6H5CHCH2 Styrene styrene  
1502 C8H8 cubane cubane  
1503 C8H8 cyclooctatetraene cot  
1504 C6H5CH2CH3 Ethylbenzene etbz  
1505 CH3C6H4CH3 meta-xylene mxylene  
1506 CH3C6H4CH3 paraxylene pxylene  
1507 C8H14 Bicyclo[2.2.2]octane bico222  
1508 C8H16 cyclooctane cyclooct  
1509 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1510 C8H18 Octane c8h18  
1511 C6H5CN phenyl cyanide phcn  
1512 C6H12N2 Triethylenediamine ted  
1513 C4O4-- squarate dianion c4o4--  
1514 S4N4 Tetrasulfur tetranitride s4n4  
1515 S8 Octasulfur s8  
1516 C6H4O2 parabenzoquinone pbq  
1517 C4H4N2O2 Uracil uracil  
1518 C6H5CHO benzaldehyde benzal  
1519 C6H5OCH3 Anisole anisole  
1520 C5H9NO2 Proline proline  
1521 C4F4 tetrafluorcyclobutadiene c4f4  
1522 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1523 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1524 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1525 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1526 C2F6 hexafluoroethane c2f6  
1527 C2Cl6 hexachloroethane c2cl6  
1528 IF7 Iodine heptafluoride if7  
1529 C6H4F2 metadifluorobenzene mdfb  
1530 C6H4F2 orthodifluorobenzene odfb  
1531 C6H4F2 1,4-difluorobenzene pdfb  
1532 C6H4Cl2 1,2-dichlorobenzene dcb12  
1533 C6H4Cl2 1,3-dichlorobenzene dcb13  
1534 C6H4Cl2 1,4-dichlorobenzene dcb14  
1535 C6H5NO nitrosobenzene bzno  
1536 C9H8 Indene indene  
1537 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1538 C9H12 n-propyl benzene prbz  
1539 C9H20 Nonane nonane  
1540 C(CN)4 tetracyanomethane c5n4  
1541 C5H4N4 purine purine  
1542 C8H7N Indole indole  
1543 C3H3N3O3 cyanuric acid cyanuric  
1544 C6H5NO2 Nitrobenzene c6h5no2  
1545 C6H5COOH benzoic acid benzo  
1546 CH3COC6H5 acetophenone acph  
1547 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1548 C3F6 hexafluoropropene c3f6  
1549 C6H3F3 Benzene trifluoride 123 bzf3a  
1550 C8H18O 1-Octanol octanol  
1551 C10H8 Azulene azu  
1552 C10H8 naphthalene naph  
1553 C10H10 bullvalene bullv  
1554 C10H16 adamantane adamantane  
1555 C6N4 Tetracyanoethylene tcne  
1556 C10H22 Decane decane  
1557 C4F6 perfluorobutadiene c4f6  
1558 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1559 C3F8 perfluoropropane c3f8  
1560 Fe(CO)5 Iron pentacarbonyl ipc  
1561 Fe(C5H5)2 ferrocene fecp2  
1562 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1563 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1564 C12H8 Acenaphthylene acenaph  
1565 C12H8 biphenylene biph  
1566 C12H10 biphenyl biphenyl  
1567 C12H10 Heptalene heptalene  
1568 C6H12O6 Inositol inositol  
1569 C6F6 hexafluorobenzene c6f6  
1570 S2F10 disulphur decafluoride s2f10  
1571 C13H10 Fluorene fluorene  
1572 C14H10 Anthracene anth  
1573 C14H10 Phenanthrene phenanthrene  
1574 C14H14 Bibenzyl bibenzyl  
1575 C12H10N2 azobenzene azobenzene  
1576 C6H5COC6H5 benzophenone benzophenone  
1577 C16H10 Pyrene pyrene  
1578 C18H12 Tetracene tetracene  
1579 C19H16 Triphenylmethane tpm  
1580 C24H12 Coronene coronene  
1581 C60 Buckminsterfullerene c60