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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 K Potassium atom 2SKh
13 LiH+ lithium hydride cation 2ΣC∞v
14 NaH sodium hydride 1ΣC∞v
15 KH Potassium hydride 1ΣC∞v
16 BeH beryllium monohydride 2ΣC∞v
17 MgH magnesium monohydride 2ΣC∞v
18 CaH Calcium monohydride 2ΣC∞v
19 CaH+ Calcium monohydride cation 2ΣC∞v
20 TiH Titanium monohydride 4ΦC∞v
21 ZnH+ Zinc, protonated   
22 BeH2 beryllium dihydride 1ΣgD∞h
23 BeH2+ Beryllium dihydride cation   
24 MgH2 magnesium dihydride 1ΣgD∞h
25 Al Aluminum atom 2PKh
26 Al- Aluminum atom anion 3PKh
27 Al+ Aluminum atom cation 1SKh
28 Sc Scandium atom 2DKh
29 Sc+ Scandium cation 3DKh
30 Ga Gallium atom 2P 
31 Ga- Gallium atom anion 3POh
32 Ga+ Gallium atom cation 1S 
33 BH Boron monohydride 1ΣC∞v
34 BH Boron monohydride 3ΠC∞v
35 ScH Scandium monohydride 1ΣC∞v
36 ScH+ Scandium monohydride cation 2ΣC∞v
37 GaH Gallium monohydride 1ΣC∞v
38 GaH+ Gallium monohydride cation 2ΣC∞v
39 BH2- boron dihydride anion 1A1C2v
40 BH3 boron trihydride 1A1'D3h
41 BH3+ boron trihydride cation 2B2C2v
42 BH3+ boron trihydride cation  C2v
43 AlH3 aluminum trihydride 1A1'D3h
44 AlH3- aluminum trihydride anion  C3v
45 ScH3 Scandium trihydride 1A1'D3h
46 ScH3 Scandium trihydride 1A1C3v
47 GaH3 Gallium trihydride 1A1'D3h
48 BH4 borohydride 2B2C2v
49 BH4- borohydride anion 1A1Td
50 C Carbon atom 3P0Kh
51 C- Carbon atom anion 2DKh
52 Si- Silicon atom anion 4SKh
53 Ge Germanium atom 3PKh
54 Ge- Germanium anion 4SKh
55 Ge+ Germanium cation 2PKh
56 Sn Tin atom   
57 Sn+ Tin cation   
58 CH Methylidyne 2Π1/2C∞v
59 SiH Silylidyne 2ΠC∞v
60 SiH+ silicon monohydride cation 1ΣC∞v
61 GeH germylidene 2ΠC∞v
62 GeH+ Germaniun monohyrdide cation 1ΣC∞v
63 CH2 Methylene 3B1C2v
64 CH2 Methylene 3ΣGD∞h
65 CH2 Methylene 1A1C2v
66 CH2- methylene anion 2B1C2v
67 CH2+ methylene cation 2A1C2v
68 CH2+ methylene cation 2ΠD∞h
69 SiH2 silicon dihydride 1A1C2v
70 SiH2 silicon dihydride 3B1C2v
71 GeH2 germylene 1A1C2v
72 CH3 Methyl radical 2A1D3h
73 CH3- methyl anion 1A1C3v
74 CH3+ methyl cation 1A1'D3h
75 SiH3 Silyl radical 2A1C3v
76 SiH3+ Silyl cation 1A1'D3h
77 GeH3 Germyl radical 2A1C3v
78 GeH3+ germyl cation 1A1'D3h
79 CH4 Methane 1A1Td
80 CH4- Methane anion 2A1Td
81 SiH2D2 silane-d2   
82 SiH4 Silane 1A1Td
83 GeH4 Germane 1A1Td
84 SnH4 Stannane   
85 SiH5+ Silane, protonated   
86 N Nitrogen atom 4SKh
87 P Phosphorus atom 4SKh
88 V Vanadium atom 4FKh
89 V+ Vanadium atom cation 5DKh
90 As Arsenic atomic 4SKh
91 As- Arsenic anion 3PKh
92 As+ Arsenic cation 3PKh
93 Sb Antimony atom   
94 PH phosphorus monohydride 3Σ-C∞v
95 AsH Arsenic monohydride 3ΣC∞v
96 SbH Antimony monohydride   
97 NH2 Amino radical 2B1C2v
98 NH2+ Amino cation 3B1C2v
99 NH2+ Amino cation 1A1C2v
100 NH3 Ammonia 1A1C3v
101 NH3- Ammonia anion 2A1C3v
102 NH3+ ammonia cation 2A2"D3h
103 PH3 Phosphine 1A1C3v
104 PH3+ Phosphine cation 2A1C3v
105 AsH3 Arsine 1A1C3v
106 AsH3+ Arsine cation 2A1C3v
107 SbH3 Stibine   
108 AsH4+ Arsonium   
109 NH4 Ammonium radical   
110 NH4+ ammonium cation 1A1Td
111 PH4 Phosphoranyl radical   
112 PH4+ phosphonium cation   
113 O Oxygen atom 3SKh
114 S Sulfur atom 3PKh
115 S Sulfur atom   
116 S- Sulfur atom anion 2PKh
117 S+ Sulfur atom cation 4SKh
118 Se Selenium atom 3PKh
119 Se- Selenium atom anion 2PKh
120 Se+ Selenium atom cation 4SKh
121 Te Tellurium atom   
122 Te+ Tellurium atom cation   
123 OH Hydroxyl radical 2ΠC∞v
124 OH- hydroxide anion 1ΣC∞v
125 OH+ hydoxyl cation 3ΣC∞v
126 HS Mercapto radical 2ΠC∞v
127 HS- mercapto anion 1ΣC∞v
128 HS+ sulfur monohydride cation 3ΣC∞v
129 CrH Chromium hydride 6ΣC∞v
130 CrH+ Chromium hydride cation 5ΣC∞v
131 HSe Selenium monohydride 2ΠC∞v
132 HSe- selenium monohydride anion 1ΣC∞v
133 HSe+ selenium monohydride cation 3ΣC∞v
134 TeH Telluryl radical   
135 H2O Water 1A1C2v
136 H2O- water anion 2A1C2v
137 H2O- water anion 2A'Cs
138 H2O+ water cation 2B1C2v
139 HDO Water-d1 1A1C2v
140 H2S Hydrogen sulfide 1A1C2v
141 H2S- Hydrogen sulfide anion 2A'Cs
142 H2S+ Hydrogen sulfide cation 2B1C2v
143 H2Se Hydrogen selenide 1A1C2v
144 H2Se+ Hydrogen selenide cation 2B1C2v
145 H2Te Hydrogen Telluride   
146 H3O+ hydronium cation 1A1C3v
147 H3S+ Sulfonium cation 1A1C3v
148 H3Se+ Hydrogen Selenide, protonated 1A1C3v
149 F Fluorine atom 2PKh
150 F- Fluorine atom anion 1SKh
151 F+ Fluorine atom cation 3SKh
152 F+ Fluorine atom cation 1DKh
153 Cl Chlorine atom 2PKh
154 Cl- Chlorine atom anion 1SKh
155 Cl+ Chlorine atom cation 3PKh
156 Cl+ Chlorine atom cation 1DKh
157 Br Bromine atom 2PKh
158 Br- Bromine atom anion 1SKh
159 Br+ Bromine atom cation 3PKh
160 HF Hydrogen fluoride 1ΣC∞v
161 HF- hydrogen fluoride anion 2ΣC∞v
162 HF+ hydrogen fluoride cation 2ΠC∞v
163 HCl Hydrogen chloride 1ΣC∞v
164 HCl- hydrogen chloride anion 2ΣC∞v
165 HCl+ hydrogen chloride cation 2ΠC∞v
166 HBr hydrogen bromide 1ΣC∞v
167 HBr- hydrogen bromide anion 2ΣC∞v
168 HBr+ hydrogen bromide cation 2ΠC∞v
169 H2Cl+ dihydrogen monochloride cation 1A1C2v
170 H2Br+ protonated hydrogen bromide 2A1C2v
171 Ne Neon atom 1SKh
172 Ne Neon atom   
173 Kr Krypton atom 1SKh
174 Kr+ Krypton cation 2PKh
175 Xe Xenon atom 1SKh
176 HeLi+ Helium Lithium cation   
177 NeH neon hydrogen 2ΣC∞v
178 ArH+ Argon hydride cation 1ΣC∞v
179 KrH+ Protonated Krypton 1ΣC∞v
180 XeH+ Xenon, protonated 1ΣC∞v
181 H2Ar H2 Ar dimer 1ΣC∞v
182 NaLi lithium sodium 1ΣC∞v
183 Na2 Sodium diatomic 1ΣgD∞h
184 Na2- sodium diatomic anion 2ΣuD∞h
185 Na2+ sodium diatomic cation 2ΣgD∞h
186 NaK+ Sodium Potassium diatomic cation 1
187 Be2 Beryllium diatomic 1ΣgD∞h
188 Be2 Beryllium diatomic 3ΠgD∞h
189 BeMg Beryllium Magnesium 1ΣC∞v
190 Mg2 Magnesium diatomic 1ΣgD∞h
191 Ca2 Calcium diatomic 1ΣGD∞h
192 LiB Lithium boride 3ΠC∞v
193 LiAl Lithium Aluminum   
194 NaAl Sodium aluminum 1ΣC∞v
195 BeB Beryllium monoboride 2ΠC∞v
196 B2 Boron diatomic 3ΣgD∞h
197 B2 Boron diatomic 1ΣgD∞h
198 B2 Boron diatomic 5ΣuD∞h
199 B2+ Boron diatomic cation 2ΠD∞h
200 BAl Boron Aluminum 3ΣC∞v
201 BGa Boron Gallium 3ΣC∞v
202 AlGa Aluminum Gallium 3ΣC∞v
203 AlGa Aluminum Gallium 1ΣC∞v
204 Ga2 Gallium diatomic 3Piu 
205 HBBH Diborane(2) 3ΣGD∞h
206 B2H4 Diborane(4) D2d 1A1D2d
207 HBHHBH Diborane(4) C2V 1A1C2v
208 B2H6 Diborane 1AgD2h
209 B2H6+ Diborane cation   
210 Ga2H6 digallane 1AGD2h
211 BeC Beryllium Carbide 3Σ-C∞v
212 BeC Beryllium Carbide   
213 CaC Calcium monocarbide   
214 AlC Aluminum carbide 4ΣC∞v
215 BSi Boron silicide 4ΣC∞v
216 BSi Boron silicide 2ΣC∞v
217 C2 Carbon diatomic 1Σg+D∞h
218 C2 Carbon diatomic 3Σg- 
219 C2+ carbon diatomic cation 4ΣgD∞h
220 SiC silicon monocarbide 3ΣC∞v
221 SiC silicon monocarbide 1ΣC∞v
222 GeC Germanium monocarbide 1ΣC∞v
223 SiGe Silicon Germanium   
224 C2H Ethynyl radical 2ΣC∞v
225 C2H- Ethynyl anion 1ΣC∞v
226 C2H2 Acetylene 1ΣgD∞h
227 C2H2+ acetylene cation 2ΠuD∞h
228 C2H2+ acetylene cation   
229 H2CC- vinylidene anion   
230 HCCH- acetylene anion   
231 HCCH- acetylene anion   
232 Si2H2 disilyne   
233 Si2H2 disilyne   
234 Si2H2 disilyne   
235 Si2H2 disilyne   
236 CH3Li methyl lithium 1A1C3v
237 CH2BH methyleneborane 1A1C2v
238 C2H3 vinyl 2A'Cs
239 C2H3- vinyl anion 1A'Cs
240 C2H3+ vinyl cation 1A1C2V bridging H
241 C2H3+ vinyl cation 1A1C2V HCCH2
242 C2H4 Ethylene 1AgD2h
243 C2H4- Ethylene anion 2AgC2h
244 C2H4+ Ethylene cation 2B3D2
245 Si2H4 Disilene   
246 Si2H4 Disilene   
247 Si2H4 Disilene   
248 CH3BH2 methylborane 1A'Cs
249 C2H5 Ethyl radical 2A'Cs
250 C2H6 Ethane 1A1gD3d
251 Si2H6 disilane 1EuD3d
252 LiN Lithium Nitride 3ΣC∞v
253 LiP Lithium monophosphide   
254 LiP Lithium monophosphide   
255 BeN+ Beryllium mononitride cation 3ΣC∞v
256 BeN+ Beryllium mononitride cation 1ΣC∞v
257 MgN Magnesium Nitride   
258 MgN Magnesium Nitride   
259 BP Boron monophosphide 3ΠC∞v
260 BP Boron monophosphide 1ΣC∞v
261 AlP Aluminum monophosphide 3ΣC∞v
262 AlP Aluminum monophosphide 3ΠC∞v
263 AlP Aluminum monophosphide 1ΣC∞v
264 GaP Gallium monophosphide 3ΣC∞v
265 GaP Gallium monophosphide 1ΣC∞v
266 GaAs Gallium arsenide 3Π 
267 GaAs Gallium arsenide 1Σ 
268 BN boron nitride 3ΠC∞v
269 BN boron nitride 1ΣC∞v
270 CN Cyano radical 2ΣC∞v
271 CN- cyanide anion 1ΣC∞v
272 SiP Silicon monophosphide 2ΠC∞v
273 N2 Nitrogen diatomic 1ΣgD∞h
274 N2 Nitrogen diatomic   
275 N2- nitrogen diatomic anion 2ΠgD∞h
276 N2+ diatomic nitrogen cation 2ΣgD∞h
277 PN Phosphorus mononitride 1ΣC∞v
278 P2 Phosphorus diatomic 1ΣgD∞h
279 HCN Hydrogen cyanide 1ΣC∞v
280 HCN+ hydrogen cyanide cation 2ΠC∞v
281 HNC+ hydrogen isocyanide cation   
282 HCP+ Phosphaethyne cation   
283 NNH+ Dinitrogen monohydride cation 1ΣC∞v
284 LiNH2 lithium amide   
285 HBNH Boranimine 1ΣC∞v
286 CNH2 Aminomethylidyne radical 2B2C2v
287 H2CN Dihydrogen cyanide radical 2B2C2v
288 H2NN Isodiazene   
289 N2H2 (E)-diazene 1AgC2h
290 N2H2 (Z)-Diazene 1A1C2v
291 N2H2+ trans-diazene cation 2AGC2h
292 CH2NH Methanimine 1A'Cs
293 CH2NH+ Methanimine cation   
294 CHNH2 aminomethylene   
295 CHNH2+ Aminocarbene cation   
296 BH2NH2 Boranamine   
297 CH2NH2+ methyleneamine cation 1A1C2v
298 N2H4 Hydrazine 1AC2
299 N2H4+ hydrazine cation 2AGC2h
300 CH3NH2 methyl amine 1A'Cs
301 CH3NH2+ methyl amine cation 2A'Cs
302 SiH3NH2 Silane, amino   
303 N2H5+ protonated hydrazine 1A'Cs
304 BH3PH3 borane phosphine   
305 BH3NH3 borane ammonia 1A1C3v
306 CH3NH3 methyl ammonium radical 2A1C3v
307 CH3PH3+ methyl phosphine, protonated 1A1C3v
308 NH3NH3 Ammonia Dimer 1AgC2h
309 NH3NH3 Ammonia Dimer 1A'Cs
310 N2H7+ ammonia ammonium dimer   
311 LiO lithium oxide 2ΣC∞v
312 LiS Lithium monosulfide 2ΠC∞v
313 LiS+ Lithium sulfide cation 3ΣC∞v
314 NaO sodium monoxide 2ΣC∞v
315 KO Potassium monoxide 2ΣC∞v
316 KO+ Potassium monoxide cation 3ΣC∞v
317 NaS Sodium sulfide 2ΠC∞v
318 LiSe Lithium monoselenide   
319 BeO beryllium oxide 1ΣC∞v
320 CaO Calcium monoxide 1ΣC∞v
321 CaS Calcium sulfide 1ΣC∞v
322 BO boron monoxide 2ΣC∞v
323 ScO Scandium monoxide 2ΣC∞v
324 GaO Gallium monoxide 2ΣC∞v
325 GaS Gallium monosulfide   
326 CO Carbon monoxide 1ΣC∞v
327 CO- carbon monoxide anion 2ΠC∞v
328 CO+ carbon monoxide cation 2ΣC∞v
329 SiO Silicon monoxide 1ΣC∞v
330 SiS silicon monosulfide 1ΣC∞v
331 TiO Titanium monoxide 3ΔC∞v
332 CSe Carbon monoselenide 1ΣC∞v
333 GeO Germanium monoxide 1ΣC∞v
334 GeO+ Germanium monoxide cation 2ΣC∞v
335 GeS Germanium monosulfide 1ΣC∞v
336 SiSe Silicon Monoselenide   
337 SiSe+ Silicon Monoselenide cation   
338 GeSe Germanium monoselenide   
339 NO Nitric oxide 2ΠC∞v
340 NO- nitric oxide anion 3ΣC∞v
341 NO+ nitric oxide cation 1ΣC∞v
342 NS Mononitrogen monosulfide 2ΠC∞v
343 PO Phosphorus monoxide 2ΠC∞v
344 PS phosphorus sulfide 2ΣC∞v
345 VO Vanadium monoxide 4Σ- 
346 NSe Nitrogen monoselenide 2ΠC∞v
347 AsS Arsenic monosulfide 2ΠC∞v
348 PSe Phosphorus monoselenide 2ΠC∞v
349 AsSe Arsenic monoselenide 2ΠC∞v
350 O2 Oxygen diatomic 3ΣgD∞h
351 O2- oxygen diatomic anion 2ΠD∞h
352 O2-- dioxygen dianion   
353 O2+ diatomic oxygen cation 2ΠgD∞h
354 SO Sulfur monoxide 3ΣC∞v
355 SO Sulfur monoxide 1ΣC∞v
356 SO+ sulfur monoxide cation 2ΠC∞v
357 S2 Sulfur diatomic 3ΣgD∞h
358 SeO Selenium monoxide 3ΣC∞v
359 TeO Tellurium monoxide   
360 Se2 Selenium diatomic 3ΣgD∞h
361 Te2 Tellurium diatomic   
362 LiOH lithium hydroxide 1ΣC∞v
363 KOH Potassium hydroxide 1ΣC∞v
364 BeOH beryllium monohydroxide 2A'Cs
365 BeOH beryllium monohydroxide 2ΣC∞v
366 HBO Boron hydride oxide 1ΣC∞v
367 HBS hydrogen boron sulfide 1ΣC∞v
368 COH Hydroxymethylidyne   
369 COH+ Carbon Monoxide, protonated 1ΣC∞v
370 HCO Formyl radical 2A'Cs
371 HCO- formyl anion 1A'Cs
372 HCO+ Formyl cation 1ΣC∞v
373 HNO Nitrosyl hydride 1A'Cs
374 HNO+ Nitrosyl hydride cation 2A'Cs
375 NOH Hydroxyimidogen 3A"Cs
376 NOH+ O-protonated nitric oxide 2A'Cs
377 HO2 Hydroperoxy radical 2A"Cs
378 HO2+ Hydroperoxy cation 3A"Cs
379 HSO+ Sulfur Monoxide, S-protonated   
380 SOH Sulfur Hydroxide   
381 SOH+ Sulfur Monoxide, protonated   
382 H2CO Formaldehyde 1A1C2v
383 H2CO- formaldehyde anion 2A'Cs
384 H2CO- formaldehyde anion   
385 H2CO+ formaldehyde cation 2B2C2v
386 H2CS Thioformaldehyde 1A1C2v
387 H2CS- thioformaldehyde anion   
388 H2CS- thioformaldehyde anion   
389 H2CS+ thioformaldehyde cation 2B2C2v
390 H2CSe Selenoformaldehyde   
391 H2NO nitroxide 2B1C2v
392 H2NO nitroxide 2A'Cs
393 H2O2 Hydrogen peroxide 1AC2
394 H2O2 Hydrogen peroxide 1AgC2h
395 H2OO water oxide   
396 HOSH hydrogen thioperoxide   
397 H2S2 Disulfane 1AC2
398 H2S2+ hydrogen disulfide cation 2BgC2h
399 H2Se2 hydrogen diselenide   
400 CH2OH Hydroxymethyl radical 2AC1
401 CH2OH+ hydroxymethyl cation 1A'Cs
402 CH3O- methoxy anion 1A1C3v
403 CH3O+ Methoxy cation 3A1C3v
404 H2CSH+ Thioformaldehyde, protonated 1A'Cs
405 NH2OH hydroxylamine 1A'Cs
406 NH2OH+ Hydroxylamine cation   
407 H2POH Phosphinous acid 1A1'CS trans
408 H2POH Phosphinous acid 1A1'CS cis
409 H3PO Phosphine oxide 1A1C3v
410 NH2SH Thiohydroxylamine   
411 NH2SH Thiohydroxylamine   
412 NH3S sulfidoazane   
413 CH3OH Methyl alcohol 1A'Cs
414 CH3OH- Methyl alcohol anion 2A'Cs
415 CH3OH- Methyl alcohol anion 2A'CS eclipsed
416 CH3OH+ Methyl alcohol cation 2A"Cs
417 CH3SH Methanethiol 1A'Cs
418 CH3SH+ Methanethiol cation 2A"Cs
419 SiH3OH silanol   
420 NH2OH2+ protonated hydroxylamine   
421 NH3OH+ N-protonated hydroxylamine   
422 H2OH2O water dimer 1A'Cs
423 CH3SH2+ protonated methylsulfide 1A'Cs
424 H5O2+ Dihydroxonium ion 1AC2
425 LiF lithium fluoride 1ΣC∞v
426 LiCl lithium chloride 1ΣC∞v
427 NaF sodium fluoride 1ΣC∞v
428 NaF+ sodium fluoride cation 2ΣC∞v
429 NaCl Sodium Chloride 1ΣC∞v
430 LiBr Lithium Bromide 1ΣC∞v
431 LiI Lithium Iodide   
432 NaI Sodium Iodide   
433 LiF+ lithium fluoride cation 2ΠC∞v
434 MgF+ magnesium fluoride cation 1ΣC∞v
435 TiCl Titanium Monochloride 4ΣC∞v
436 ZnF Zinc monofluoride 2ΣC∞v
437 CaBr Calcium monobromide   
438 BF Boron monofluoride 1ΣC∞v
439 AlF Aluminum monofluoride 1Σ+C∞v
440 AlCl Aluminum monochloride 1ΣC∞v
441 ScF Scandium monofluoride 1ΣC∞v
442 GaF Gallium monofluoride 1ΣC∞v
443 GaF+ Gallium monofluoride cation 2ΣC∞v
444 AlBr Aluminum monobromide   
445 GaCl Gallium monochloride 1ΣGC∞v
446 GaCl+ Gallium monochloride cation 2ΣC∞v
447 AlI Aluminum monoiodide   
448 GaBr Gallium monobromide   
449 CF Fluoromethylidyne 2ΠC∞v
450 SiF silicon monofluoride 2ΠC∞v
451 SiF+ silicon monofluoride cation 1ΣC∞v
452 SiCl Clorosilylidyne 2ΠC∞v
453 CBr Carbon monobromide 2ΠC∞v
454 GeF Germanium monofluoride 2ΠC∞v
455 GeF+ Germanium monofluoride cation 1ΣC∞v
456 GeCl Germanium monochloride 2ΠC∞v
457 GeCl+ Germanium monochloride cation   
458 SiBr Silicon monobromide 2ΠC∞v
459 SiBr+ Silicon monobromide cation   
460 NCl nitrogen monochloride 3ΣC∞v
461 AsF Arsenic monofluoride 3ΣC∞v
462 AsCl Arsenic monochloride 3ΣC∞v
463 PBr Phosphorus monobromide   
464 FO Oxygen monofluoride 2ΠC∞v
465 ClO Monochlorine monoxide 2ΠC∞v
466 ClO+ chlorine monoxide cation 3ΣC∞v
467 SF Monosulfur monofluoride 2ΠC∞v
468 SF+ sulfur monofluoride cation 3ΣC∞v
469 SCl sulfur monochloride 2ΠC∞v
470 SCl+ sulfur monochloride cation 3ΣgC∞v
471 BrO Bromine monoxide 2ΠC∞v
472 BrO+ Bromine monoxide cation   
473 SeF Selenium monofluoride 2ΠC∞v
474 SBr Sulfur monobromide radical   
475 SBr+ Sulfur monobromide cation   
476 SeCl Selenium monochloride 2ΠC∞v
477 SeBr Selenium monobromide   
478 BrCl Bromine monochloride 1ΣC∞v
479 F2 Fluorine diatomic 1ΣgD∞h
480 F2- flourine diatomic anion 2ΣuD∞h
481 F2+ flourine diatomic cation 2ΠgD∞h
482 ClF Chlorine monofluoride 1Σ+C∞v
483 ClF+ clorine monofluoride cation 2ΠC∞v
484 Cl2 Chlorine diatomic 1ΣgD∞h
485 Cl2- chlorine diatomic anion 2ΣuD∞h
486 Cl2+ chlorine diatomic cation 2ΠgD∞h
487 BrF Bromine monofluoride 1ΣC∞v
488 Br2 Bromine diatomic 1ΣgD∞h
489 Br2- bromine diatomic anion 2ΣuD∞h
490 Br2+ bromine diatomic cation 2ΠgD∞h
491 I2+ Iodine diatomic cation 2ΠgD∞v
492 HCF Fluoromethylene 1A'Cs
493 HCF Fluoromethylene 3A"Cs
494 HSiF fluorosilylene   
495 HSiCl Chlorosilylene   
496 HSiBr monobromosilylene   
497 HOF Hypofluorous acid 1A'Cs
498 HOCl hypochlorous acid 1A'Cs
499 HOCl+ hypochlorous acid cation   
500 HOBr Hypobromous acid 1A'Cs
501 HOI Hypoiodous acid   
502 F2H+ Fluorine, protonated 1A'Cs
503 ClFH+ Chlorine fluoride, F-protonated   
504 FClH+ Chlorine fluoride, Cl-protonated   
505 Cl2H+ Chlorine, protonated 1A'Cs
506 CH2Br bromomethyl radical   
507 CH2F fluoromethyl radical 2ACs
508 CH2F+ fluoromethyl cation   
509 CH2Cl+ chloromethyl cation   
510 CH2Cl chloromethyl radical 2A'Cs
511 CH2Cl chloromethyl radical 2B1C2v
512 NH2Cl chloramine 1A'Cs
513 CH3F+ methyl fluoride cation   
514 CH3F Methyl fluoride 1A1C3v
515 CH3Cl Methyl chloride 1A1C3v
516 CH3Cl+ Methyl chloride cation   
517 SiH3F monofluorosilane 1A1C3v
518 SiH3Cl chlorosilane 1A1C1
519 CH3Br methyl bromide 1A1C3v
520 GeH3F monofluorogermane   
521 GeH3Cl monochlorogermane   
522 SiH3Br bromosilane 1A1C3v
523 SiH3I Silyl Iodide   
524 NH3Cl+ protonated monochloroammonia   
525 CH3ClH+ methyl chloride, protonated   
526 NH4Cl Ammonium chloride   
527 LiNe+ Lithium Neon cation   
528 Ne2+ Neon diatomic cation 2ΣuD∞h
529 Ar2 Argon diatomic 1SgD∞h
530 Ar2+ Argon diatomic cation 2ΣuD∞h
531 Li3 Lithium trimer 2B2C2v
532 Li3+ Lithium trimer cation 1A1'D3h
533 C3 carbon trimer 1ΣgD∞h
534 C3 carbon trimer 1A1C2v
535 SiC2 Silicon dicarbide   
536 C3H3 cyclopropenyl radical 2A'Cs
537 C3H4 cyclopropene 1A1C2v
538 CH2CCH2 allene 1A1D2d
539 CH3CCH propyne 1A'C3v
540 C3H5 Allyl radical 2A"Cs
541 C3H6 Cyclopropane 1A1'D3h
542 CH2CHCH3 Propene 1A'Cs
543 C3H7 n-Propyl radical 2A"C1
544 C3H7+ cyclopropane, protonated   
545 CH3CHCH3 Isopropyl radical 2AC2
546 CH3CHCH3+ Isopropyl cation 1AC2
547 C3H8 Propane 1A1C2v
548 Si3H8 trisilane   
549 LiCN lithium cyanide 1ΣC*V LiCN
550 LiCN lithium cyanide 1A'Cs
551 LiCN lithium cyanide 1ΣC*V LiNC
552 NaCN Sodium Cyanide 1ΣC∞v
553 NaCN Sodium Cyanide 1ACs
554 NaCN Sodium Cyanide 1ΣC∞v
555 KCN Potassium cyanide 1ΣC∞v
556 KCN Potassium cyanide 1ΣC∞v
557 KCN Potassium cyanide 1A'Cs
558 ZnCN Zinc monocyanide 2ΣC∞v
559 ZnNC Zinc isocyanide 2ΣC∞v
560 AlCN Aluminum monocyanide   
561 AlNC Aluminum isocyanide   
562 CN2 3H-Diazirin-3-ylidene 1A1C2v
563 CNN Diazocarbene   
564 NCN Cyanoimidogen 3ΣgD∞h
565 NCN Cyanoimidogen 1ΣgD∞h
566 N3 azide radical 2ΠgD∞h
567 N3+ azide cation 3ΣgD∞h
568 N3+ azide cation 3ΣC∞v
569 HCCN cyanomethylene 3A"Cs
570 HCCN cyanomethylene 3ΣC∞v
571 HCCN cyanomethylene   
572 HN3 hydrogen azide 1A'Cs
573 HN3+ Hydrazoic acid cation   
574 HNCNH diiminomethane 1AC2
575 NH2CN cyanamide 1A1C2v
576 HNNNH+ 1,2-Triazadienium   
577 NH2NN+ hydrazoic acid, protonated   
578 CH3CN Acetonitrile 1A1C3v
579 CH3CN- acetonitrile anion 2EC3v
580 CH3CN- acetonitrile anion 2A'Cs
581 CHNCH2 2H-Azirine   
582 CHNHCH 1H-Azirine   
583 H2CCNH Ethenimine   
584 H2CNCH methyleneaminomethylene   
585 HCCNH2 Ethynamine   
586 HCNCH2+ 2H-Azirine cation   
587 HNCNH2+ diiminomethane, protonated 1A'Cs
588 NCNH3+ Cyanamide, protonated 1A1C3v
589 NH2CNH+ cyanamide, cn protonated   
590 NH3CN+ cyanamide, amine protonated   
591 CH2CHNH vinylazine 2A"CS cis
592 CH2CHNH vinylazine 2A"CS trans
593 CH3CHNH ethanimine 1A'CS NH down
594 C2H5NH+ Protonated Aziridine 1A1C2v
595 C2H6N+ aziridine, protonated 1A1C2v
596 CH3CH2NH2 Ethylamine   
597 CH3PHCH3 dimethylphosphine 1A'Cs
598 (CH3)2NH2+ dimethylammonium cation 1A1C2v
599 CH3CH2NH3+ ethylamine, protonated 1A'Cs
600 Li2O dilithium oxide 1ΣgD∞h
601 Li2S dilithium sulfide 1ΣGD∞h
602 Li2S dilithium sulfide 1A1C2v
603 Na2O disodium monoxide 1ΣgLinear
604 Na2O disodium monoxide 1A1C2v
605 Na2S Sodium sulfide   
606 Na2S Sodium sulfide   
607 LiO2 Lithium dioxide   
608 NaO2 Sodium superoxide   
609 CCO Dicarbon monoxide 3ΣC∞v
610 CCO Dicarbon monoxide 1ΠC∞v
611 NCO isocyanato radical 2ΠC∞v
612 N2O Nitrous oxide 1ΣC∞v
613 N2O- Nitrous oxide anion 2A'Cs
614 CO2 Carbon dioxide 1ΣgD∞h
615 OCS Carbonyl sulfide 1ΣC∞v
616 CS2 Carbon disulfide 1ΣgD∞h
617 TiO2 Titanium dioxide 1A1C2v
618 SiS2 Silicon disulfide 1ΣGD∞h
619 GeO2 Germanium dioxide 1ΣgD∞h
620 OCSe Carbonyl selenide 1ΣC∞v
621 SCSe Carbon sulfide selenide   
622 CSe2 Carbon diselenide 1A1D∞h
623 SCTe Carbon sulfide Telluride   
624 NO2 Nitrogen dioxide 2A1C2v
625 NO2+ Nitrogen dioxide cation 1ΣGD∞h
626 NSO sulfinyl amidogen   
627 SNO Nitrogen oxide sulfide   
628 O3 Ozone 1A1Cs
629 SO2 Sulfur dioxide 1A1C2v
630 SSO Disulfur monoxide 1A'Cs
631 S3 Sulfur trimer 1A1C2v
632 S3 Sulfur trimer   
633 S3+ Sulfur trimer cation 2B2C2v
634 SeO2 Selenium dioxide 1A1C2v
635 SeO2+ Selenium dioxide cation 2A1C2v
636 TeO2 Tellurium Dioxide   
637 HCCO ketenyl radical 2ΠC∞v
638 HCCO ketenyl radical 2A"Cs
639 HCNO fulminic acid 1ΣC∞v
640 HCNO fulminic acid 1A'Cs
641 HNCS Isothiocyanic acid   
642 HNCS Isothiocyanic acid   
643 HSCN thiocyanic acid 1A'Cs
644 HNNO+ Nitrous oxide, N-protonated 1A'Cs
645 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
646 HOCO Hydrocarboxyl radical 1A'cis
647 HOCO Hydrocarboxyl radical 1A'trans
648 O3H+ protonated ozone 1A'Cs
649 O3H+ protonated ozone   
650 SO2H+ protonated sulfur dioxide 1A'Cs
651 C2H2O Oxirene 1A1C2v
652 CH2CO Ketene 1A1C2v
653 CH2CS Thioketene   
654 Be(OH)2 Beryllium hydroxide   
655 Be(OH)2 Beryllium hydroxide   
656 Be(OH)2 Beryllium hydroxide   
657 NH2NO Nitrosamide 1AC1
658 H2COO Dioxymethyl radical 2A'Cs
659 H2COO+ dioxymethyl cation 2A'Cs
660 HCOOH Formic acid 1A'Cs
661 HCOOH Formic acid   
662 HSSSH trisulfane 1A'Cs
663 CH2BOH hydroxy(methylene)borane 1A'Cs
664 BH3CO Borane carbonyl 1A1C3v
665 CH3BO Borane, methyloxo- 1A1C3v
666 CH2COH+ ketene, protonated   
667 CH2NOH formaldoxime 1A'Cs
668 CH3NO nitrosomethane 1A'Cs
669 CNOH3 1,2-oxaziridine 1AC1
670 HOCHNH hydroxymethylimine 1A'CS H all up
671 HOCHNH hydroxymethylimine 1A'CS CH up
672 CHSNH2 thioformamide   
673 NHCHSH Methanimidothioic acid   
674 C2H4O Ethylene oxide 1A1C2v
675 C2H4O+ ethylene oxide cation   
676 CH3CHO Acetaldehyde 1A'Cs
677 CH3CHO+ acetaldehyde cation   
678 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
679 C2H4S Thiirane 1A1C2v
680 CH2CHSH Ethenethiol   
681 CH3CHS Thioacetaldehyde 1A'C1
682 NH2CHOH+ Formamide, O-protonated   
683 CH3SSH Hydrogen methyl disulfide   
684 HSCH2SH Methanedithiol   
685 C2H4OH+ ethylene oxide, protonated 1A'Cs
686 CH3CHOH 1-hydroxy-ethyl radical 2AC1
687 CH3CHOH+ acetaldehyde, protonated 1A'Cs
688 NH2CH2OH aminomethanol   
689 CH3CH2OH Ethanol 1A'Cs
690 CH3OCH3 Dimethyl ether 1A1C2v
691 CH3CH2SH ethanethiol 1A'Cs
692 CH3CH2SH ethanethiol 1AC1
693 CH3SCH3 Dimethyl sulfide 1A1C2v
694 CH3SCH3+ dimethyl sulfide cation   
695 CH3SeCH3 dimethylselenide 1A1C2v
696 CuF2 Copper difluoride 2ΠgD∞h
697 CNF iso cyanogen fluoride 1ΣC∞v
698 BrCN Cyanogen bromide 1ΣC∞v
699 ICN Cyanogen iodide 1ΣC∞v
700 FBO Boron monofluoride monoxide   
701 BeBr2 Beryllium bromide   
702 CaBr2 Calcium dibromide   
703 FCO Carbonyl fluoride 2A'Cs
704 FCO+ Carbonyl fluoride cation 1ΣC∞v
705 ClCO carbonyl monochloride 2A'Cs
706 BF2 Boron difluoride radical 2A1C2v
707 FNO Nitrosyl fluoride 1A'Cs
708 ClNO Nitrosyl chloride 1A'Cs
709 FNS Thionitrosyl fluoride 1A'Cs
710 FSN Thiazyl fluoride 1A'Cs
711 OPCl Phosphorus oxychloride   
712 INO Nitrosyl iodide 1A'Cs
713 CF2 Difluoromethylene 1A1D∞h
714 CFCl chlorofluoromethylene 1A'Cs
715 SiF2 Silicon difluoride 1A1C2v
716 SiF2+ Silicon difluoride cation 2A1C2v
717 GeCl2 Germanium dichloride 1A1C2v
718 CBr2 dibromomethylene 1A1C2v
719 CBr2 dibromomethylene 3B1C2v
720 FOO+ Fluorine dioxide cation   
721 OClO Chlorine dioxide 2B1D∞h
722 OClO- Chlorine dioxide anion 1A'Cs
723 ClSO Sulfur chloride oxide 2A"Cs
724 BrOO Bromine dioxide   
725 OBrO Bromine dioxide radical 2B1C2v
726 PF2 Phosphorus difluoride   
727 PF2+ Phosphorus difluoride cation   
728 FClO chlorosyl fluoride 1A'Cs
729 ClOF Chlorine hypofluorite 1A'Cs
730 SF2 sulfur difluoride 1A1C2v
731 SCl2 Sulfur dichloride 1A1C2v
732 SeF2 Selenium difluoride   
733 SeCl2 Selenium Dichloride   
734 SBr2 Sulfur dibromide   
735 SeBr2 Selenium dibromide   
736 Br3- tribromide anion   
737 I3- triiodide   
738 SFCl Sulfur chloride fluoride   
739 HCCF Fluoroacetylene 1ΣC∞v
740 HCCCl Chloroacetylene 1ΣC∞v
741 HCCBr bromoacetylene 1ΣC∞v
742 HFCO+ formyl fluoride cation 2A'Cs
743 CHCl2 dichloromethyl radical 2B1C2v
744 CHCl2 dichloromethyl radical 2A'Cs
745 CHF2 difluoromethyl radical 2ACs
746 CHF2+ difluoromethyl cation   
747 CHFCl Chlorofluoromethyl radical   
748 CHFCl+ Chlorofluoromethyl cation   
749 CHCl2+ dichloromethyl cation   
750 CHBr2 dibromomethyl radical   
751 NHF2 difluoramine   
752 NHCl2 dichloroamine   
753 CH2F2 Methane, difluoro- 1A1C2v
754 SiH2F2 difluorosilane   
755 CH2Cl2 Methylene chloride 1A1C2v
756 CH2BrF Methane, bromofluoro- 1A'Cs
757 CH2BrCl Methane, bromochloro- 1A'Cs
758 CH2FI fluoroiodomethane   
759 CH2Br2 dibromomethane 1A1C2v
760 CH2ClI chloroiodomethane   
761 CH2BrI bromoiodomethane   
762 CH2I2 Diiodomethane   
763 SiH2Cl2 dichlorosilane 1A1C2v
764 CH3MgBr Methyl Magnesium Bromide   
765 CH2CHF Ethene, fluoro- 1A'Cs
766 C2H3I Vinyl iodide   
767 CH2FOH fluoromethanol   
768 CH2CH2Cl 2-chloroethyl radical 2A'Cs
769 CHClCH3 1-chloroethyl radical 2AC1
770 C2H5Br Ethyl bromide 1A'Cs
771 XeF2 Xenon difluoride   
772 B4H10 Tetraborane(10) 1A1C2v
773 C4 Carbon tetramer 3ΣgD∞h
774 C4 Carbon tetramer   
775 C4H2 Diacetylene 1ΣgD∞h
776 C4H2+ diacetlyene cation 2ΠgD∞h
777 C4H4 Tetrahedrane   
778 C4H6 1-Methylcyclopropene 1AC1
779 CHCCH2CH3 1-Butyne 1A'Cs
780 C4H8 methylcyclopropane 1A'Cs
781 CH2CHCH2CH3 1-Butene 1AC1
782 CH3CH2CH2CH3 Butane 1AgAnti
783 CH3CH2CH2CH3 Butane 1AGauche
784 Li3N trilithium nitride 1A'D3h
785 Li3N trilithium nitride 1A1C3v
786 C2N2 Cyanogen 1ΣgD∞h
787 As4 Arsenic tetramer 1A1Td
788 HCCCN+ Cyanoacetylene cation 2ΠC∞v
789 H2CNCN cyanamide, methylene   
790 HNCCNH Ethenediimine   
791 C3H3N+ acrylonitrile cation 2A"Cs
792 CH3N3 methyl azide 1A'Cs
793 NH2CCNH2 Diaminoacetylene 1AC2
794 NH2CCNH2 Diaminoacetylene 1A1D2d
795 NH2CH2CN Aminoacetonitrile 1A'Cs
796 CH3NHN2+ methyl azide, protonated 1AC1
797 C2H5CN ethyl cyanide 1A'Cs
798 C4H6 Bicyclo[1.1.0]butane 1A1C2v
799 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
800 H2NCHCHNH2 diaminoethylene   
801 CH7N3 triaminomethane   
802 C4H8 cyclobutane 1A1D2d
803 NH2CH2CH2CH3 1-Propanamine 1A'Cs
804 P(CH3)3 trimethylphosphine 1A1C3v
805 N(SiH3)3 trisilylamine   
806 (CH3)3NH+ protonated trimethyl amine   
807 C3H7NH3+ n-propylamine, protonated 1A'Cs
808 K2O2 dipotassium dioxide   
809 C3O Tricarbon monoxide 1ΣC∞v
810 ONNO NO dimer 1Agtrans C2H
811 ONNO NO dimer 1A1cis C2V
812 S2N2 Disulfur dinitride 1AGD2h
813 CO3 Carbon trioxide 1A1C2v
814 CS3-- Carbonotrithioate   
815 NO3- nitrate anion 1A1'D3h
816 SO3 Sulfur trioxide 1A1'D3h
817 SO3-- Sulfate dianion   
818 S4 Sulfur tetramer   
819 S4 Sulfur tetramer   
820 S4 Sulfur tetramer   
821 TeO3 Tellurium trioxide   
822 HNO3 Nitric acid 1A'Cs
823 NH2NO2 nitramide 1A'Cs
824 C3H2O Propadienal   
825 C3H2O Propadienal   
826 C2H2O2 Ethanedial 1AgC2h
827 H2SO3 Sulfurous acid 1A'Cs
828 C2H3NO Nitrosoethylene   
829 CH3NCO methylisocyante   
830 HOCH2CN cyanomethanol   
831 CH3NO2 Methane, nitro- 1A'Cs
832 NH2COOH Carbamic acid 1A'Cs
833 NH2COOH Carbamic acid 1AC1
834 H3AlO3 Aluminum hydroxide   
835 CH2CHCHO Acrolein 1A'Cs
836 CH2CHCHO Acrolein   
837 NH2CONH2 Urea 1AC2
838 NH2CONH2 Urea 1A'Cs
839 NH2CONH2 Urea 1A1C2v
840 NH2COOH2+ Carbamic acid, O-protonated 1AC1
841 NH3COOH+ protonated Carbamic acid 1A'Cs
842 CH3COCH2 Acetonyl radical 2A"Cs
843 CH2C(OH)NH2 1-amino vinyl alchohol   
844 CH3C(OH)=NH Ethaninidic acid   
845 CH3CHNOH Acetaldoxime 1A'CS cis
846 HCONHCH3 N-methylformamide 1A'CS cis
847 HCONHCH3 N-methylformamide 1A'CS trans
848 CH3CSNH2 Ethanethioamide   
849 CH5N2O+ urea, N-protonated 1A'Cs
850 H2NCOHNH2+ urea, protonated 1A'Cs
851 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
852 C3H5OH Cyclopropanol 1AC1
853 C3H6O 2-Propen-1-ol 1AC1
854 C3H6O Acetone enol 1A'Cs
855 C3H6O Oxetane 1A1C2v
856 C3H6O Oxetane 1A'Cs
857 CH3CH2CHO Propanal 1A'Cs
858 CH3COCH3 Acetone 1A1C2v
859 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
860 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
861 C3H7OH 1-Propanol   
862 CH3OC2H5 Ethane, methoxy- 1A'Cs
863 Li2F2 Lithium fluoride dimer   
864 FNO2 Nitryl fluoride 1A1C2v
865 FONO Nitrosyl hypofluorite 1A'CS cis
866 ClONO chlorine nitrite 1A'CS cis
867 CF2O Carbonic difluoride 1A1C2v
868 CF2O+ Carbonic difluoride cation   
869 BF3+ boron trifluoride cation 2B2C2v
870 BF3+ boron trifluoride cation   
871 BClF2 Chlorodifluoroborane   
872 ScF3 Scandium trifluoride 1A1'D3h
873 BCl3 Borane, trichloro- 1A1'D3h
874 BCl3+ Boron Trichloride cation   
875 GaF3 Gallium trifluoride 1A1'D3h
876 GaCl3 Gallium trichloride 1A1'D3h
877 CF3- Trifluoromethyl anion 1A1C3v
878 CF3+ Trifluoromethyl cation 1A1'D3h
879 CF2Cl difluorochloromethyl radical   
880 SiF3 Silicon trifluoride radical 2A1C3v
881 SiF3+ Silicon trifluoride cation 1A1'D3h
882 CFCl2 dichlorofluoromethyl radical   
883 CBr3 tribromomethyl radical   
884 ClO2F Chloryl fluoride 1A'Cs
885 ClOOCl Dichlorine dioxide 1AC2
886 SSCl2 Thiothionyl chloride   
887 NF3 Nitrogen trifluoride 1A1C3v
888 NCl3 nitrogen trichloride 1A1C3v
889 SbF3 Antimony Trifluoride   
890 AsCl3 Arsenous trichloride 1A1C3v
891 SbCl3 Antimony Trichloride   
892 NBr3 Nitrogen Tribromide 1A1C3v
893 NI3 Nitrogen triiodide   
894 PI3 Phosphorus triiodide   
895 ClF3 Chlorine trifluoride 1A1'D3h
896 ClF3 Chlorine trifluoride 1A1C2v
897 IF3 iodone trifluoride   
898 HClO3 Chloric Acid 1A'Cs
899 HClO3 Chloric Acid 1AC1
900 CHF3 Methane, trifluoro- 1A1C3v
901 SiHF3 trifluorosilane   
902 CHCl3 Chloroform 1A1C3v
903 CHBrF2 Methane, bromodifluoro- 1A'Cs
904 CHFClBr fluorochlorobromomethane 1AC1
905 CHBrCl2 Methane, bromodichloro- 1A'Cs
906 CHF2I difluoroiodomethane   
907 CHBr2F dibromofluoromethane   
908 CHFClI fluorochloroiodomethane   
909 NF3H+ protonated nitrogen trifluoride 1A1C3v
910 AsF3H+ Arsenic trifluoride, protonated   
911 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
912 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
913 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
914 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
915 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
916 C2H4F2 1,2-difluoroethane 1AgC2H anti
917 C2H4F2 1,2-difluoroethane 1AC2 gauche
918 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
919 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
920 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
921 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
922 CH2BrCH2Cl 1-bromo-2-chloroethane   
923 CH2BrCH2Cl 1-bromo-2-chloroethane   
924 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
925 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
926 CH2CHCH2F Allyl Fluoride   
927 CH2CHCH2F Allyl Fluoride   
928 CH3CHCHF trans-1-Fluoro-1-propene   
929 CH2FCH2OH 2-fluoroethanol   
930 CH2ClCH2OH 2-Chloroethanol 1A'Cs
931 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
932 CH2FCH2CH3 1-Fluoropropane 1A'Cs
933 CH2FCH2CH3 1-Fluoropropane   
934 CH3CHFCH3 2-Fluoropropane 1A'Cs
935 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
936 B5H9 pentaborane9   
937 C5H4 pentatetraene   
938 C5H6 Propellane 1A1D3h
939 C5H8 Bicyclo[1.1.1]pentane   
940 C5H8 Ethenylcyclopropane 1A'Cs
941 CH2N4 1H-Tetrazole 1A'Cs
942 C3H3N2 imidazolyl radical 2B1C2v
943 C3H3N2- imidizolyl anion 1A1C2v
944 C4H4N pyrrolide radical 2A2C2v
945 C4H4N- pyrrolide anion 1A1C2v
946 C3H4N2 1H-Imidazole 1A'Cs
947 C3H4N2 2H-Imidazole 1A1C2v
948 C3H4N2 4H-Imidazole 1A'Cs
949 C4H5N Pyrrole 1A1C2v
950 C4H6N+ pyrrole, alpha-protonated 1A'Cs
951 C4H6N+ pyrrole, beta-protonated 1A'Cs
952 C4H6N+ pyrrole, protonated 1A1C2v
953 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
954 CH3CH2CH2CN Butanenitrile 1A'Cs
955 NH(C2H5)2 diethylamine 1A'Cs
956 C3O2 Carbon suboxide 1ΣGD∞h
957 B2O3 diboron trioxide   
958 B2O3 diboron trioxide   
959 MgCO3 Magnesium Carbonate 1A1C2v
960 BeCO3 Beryllium Carbonate 1A1C2v
961 ONONO Nitrosyl nitrite 1A1C2v
962 CHOOCHO diformyl ether   
963 C3H3NO Isoxazole 1A'Cs
964 C3H3NO Oxazole 1A'Cs
965 C3H3NS Thiazole   
966 C4H4O Furan 1A1C2
967 CH3COCCH 3-butyn-2-one 1A'Cs
968 C4H4Se selenophene   
969 CH3OCH2CN Methoxyacetonitrile 1A'Cs
970 CH3OCH2CN Methoxyacetonitrile 1AC1
971 CH3SO2NH2 methanesulfonamide 1A'Cs
972 CH2CHSCHCH2 Divinyl sulfide   
973 HCOOC2H5 Ethyl formate 1A'Cs
974 C2H6O2S Dimethyl sulfone 1A1C2v
975 C4H8S Thiophene, tetrahydro- 1AC1
976 C4H10O Ethoxy ethane 1A1C2v
977 C4H10O Methyl propyl ether 1AC1
978 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
979 C4H9SH 1-Butanethiol   
980 BrONO2 Bromine nitrate 1A'Cs
981 CF3Cl Methane, chlorotrifluoro- 1A1C3v
982 CF2Cl2 difluorodichloromethane 1A1C2v
983 TiF4 Titanium tetrafluoride 1A1Td
984 CF3Br Bromotrifluoromethane 1A1C3v
985 GeF4 Germanium tetrafluoride 1A1Td
986 CCl4 Carbon tetrachloride 1A1Td
987 CBrCl2F bromodichlorofluoromethane   
988 CBr2ClF dibromochlorofluoromethane   
989 CBr2Cl2 dibromodichloromethane 1A1C2v
990 CCl3I trichloroiodomethane   
991 CFBr3 fluorotribromomethane 1A1C3v
992 CFClBrI fluorochlorobromoiodomethane   
993 CBr3Cl tribromochloromethane 1A1C3v
994 CF2I2 difluorodiiodomethane   
995 CBr4 Carbon tetrabromide 1A1Td
996 CCl2I2 dichlorodiiodomethane   
997 SiBr4 Silicon tetrabromide 1A1Td
998 GeBr4 Germanium tetrabromide   
999 CI4 tetraiodomethane   
1000 SiI4 silicon tetraiodide   
1001 ClOF3 Chlorine trifluoride oxide 1A'Cs
1002 SF4 Sulfur tetrafluoride 1A1C2v
1003 SeF4 Selenium tetrafluoride   
1004 SCl4 Sulfur tetrachloride   
1005 CH2ClCCCl 1,3-dichloropropyne   
1006 CHCl2CCH 3,3-dichloropropyne   
1007 CHCl2CHO dichloroacetaldehyde   
1008 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
1009 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
1010 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
1011 SiH3CCl3 (trichloromethyl)silane 1A1C3v
1012 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
1013 CH2FCH2CH2F 1,3-difluoropropane   
1014 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
1015 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
1016 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
1017 XeF4 Xenon tetrafluoride   
1018 C2H2N2O Furazan   
1019 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
1020 NH3BF3 Amminetrifluoroboron 1A1C3v
1021 C6H2 hexatriyne 1ΣgD∞h
1022 C6H6 Prismane   
1023 C6H6 1,2,4,5-Hexatetraene 1AgC2h
1024 C6H6 Benzene 1A1gD6h
1025 C6H6 Benzvalene 1A1C2v
1026 C6H6 Dewar Benzene   
1027 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
1028 C6H6 Trimethylenecycopropane 1A'D3h
1029 C6H7+ benzene, protonated 1A1C2v
1030 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
1031 C6H10 1,5-Hexadiene 1AgC2
1032 C6H10 3-Hexyne 1A1C2v
1033 C6H12 2,3-dimethylbut-1-ene 1A'C2
1034 C6H12 hex-1-ene 1A'Cs
1035 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
1036 C4H2N2 Fumaronitrile 1AgC2h
1037 C5H6N+ Pyridinium 1A1C2v
1038 MgSO4 Magnesium Sulfate 1A1C2v
1039 N2O4 Dinitrogen tetroxide 1AgD2d
1040 C3H2O3 vinylene carbonate   
1041 C2H2O4 Oxalic Acid 1AgC2h
1042 C2H4N2S2 Ethanedithioamide 1AGC2h
1043 C2H4CO3 Ethylene carbonate 1A1C2v
1044 C2H4CO3 Ethylene carbonate 1AC2
1045 C2H4O4 Formic acid dimer 1AGC2h
1046 C2H5NO3 Nitric acid, ethyl ester 1A'C1
1047 C5H6O 2H-Pyran   
1048 C5H6O Pentadienal   
1049 C4H6O2 γ–Butyrolactone 1AC1
1050 C3H6O3 1,3,5-Trioxane 1A1C1
1051 C3H6S3 1,3,5-Trithiane 1A1C3v
1052 C5H8O Cyclopentanone 1AC2
1053 C5H8O Methyl cyclopropyl ketone 1A'Cs
1054 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
1055 C4H8O2 Ethyl acetate 1A'Cs
1056 C5H10O 2-methylbutyraldehyde 1AC1
1057 C5H10O 3-Pentanone 1A1C2v
1058 C4F2 difluorobutadiyne   
1059 ClCOClCO Oxalyl chloride 1AGC2h
1060 B2Cl4 Diboron tetrachloride 1A1D2
1061 C2ClF3 Ethene, chlorotrifluoro-   
1062 CF2CCl2 difluorodichloroethylene 1A1C2v
1063 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1064 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1065 C2Br4 tetrabromoethene   
1066 CF3OF Trifluoromethylhypofluorite 1A'Cs
1067 SiF5- silicon pentafluoride anion   
1068 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1069 PF5 Phosphorus pentafluoride 1A1'D3h
1070 SF5+ pentafluoro sulfur cation 1A1'D3h
1071 IF5 pentafluoroiodine   
1072 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1073 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1074 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1075 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1076 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1077 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1078 C4H3ClO Furan, 2-chloro 1A'Cs
1079 C4H3ClO Furan,3-chloro 1A'Cs
1080 C4H8O2 Butanoic acid 1AC1
1081 C7H7 cycloheptatrienyl radical 2A2C2v
1082 C7H7+ cycloheptatrienyl cation 1A1'D7h
1083 CH(CN)3 tricyanomethane   
1084 HN=C=C(CN)2 Dicyanoketenimine   
1085 C5H4O2 furfural 1A'OCCO cis
1086 C5H4O2 furfural 1A'OCCO trans
1087 C6H6O 2,5-Cyclohexadienone 1A1C2v
1088 HO2CCHNH2CH2OH Serine 1AC1
1089 C5H8O2 Acetylacetone 1AC2
1090 C7H10 Norbornene   
1091 C6H12O Oxepane   
1092 F2CCCF2 tetrafluoroallene   
1093 CF3COO- trifluoro acetate anion 1A'Cs
1094 CF3COF trifluoroacetyl fluoride 1A'Cs
1095 PF6 Hexafluorophosphate neutral 2B2C2v
1096 PF6- Hexafluorophosphate ion 1A1GOh
1097 SF6 Sulfur Hexafluoride 1A1GOh
1098 SeF6 Selenium hexafluoride 1A1GOh
1099 SF5Cl sulfur chloropentafluoride 1A1C4v
1100 CF3CHF2 pentafluoroethane 1A'Cs
1101 C8H8 cubane 1A1GOh
1102 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1103 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1104 C6H12N2 Triethylenediamine 1A1D3
1105 S4N4 Tetrasulfur tetranitride   
1106 C6H5CHO benzaldehyde 1A'Cs
1107 C5H9NO2 Proline 1AC1
1108 C4F4 tetrafluorcyclobutadiene 1A1GD4h
1109 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1110 C2Cl6 hexachloroethane 1A1gD3d
1111 C6H4F2 1,4-difluorobenzene 1AgD2h
1112 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1113 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1114 C6H4Cl2 1,4-dichlorobenzene   
1115 C6H5NO nitrosobenzene 1A'Cs
1116 C9H20 Nonane 1A1C2v
1117 C(CN)4 tetracyanomethane 1A1Td
1118 C3H3N3O3 cyanuric acid 1A1'D3h
1119 C3F6 hexafluoropropene   
1120 C8H18O 1-Octanol   
1121 C10H8 Azulene 1A1C2v
1122 C10H8 naphthalene 1AgD2h
1123 C10H10 bullvalene   
1124 C10H22 Decane 1AGC2h
1125 B12H12-- Dodecahydrododecaborate(2-)   
1126 C12H8 biphenylene 1AgD2h
1127 C6H12O6 Inositol 1A1GD3d
1128 S2F10 disulphur decafluoride   
1129 C13H10 Fluorene   
1130 C14H14 Bibenzyl 1AC2
1131 C12H10N2 azobenzene 1AGC2h
1132 C6H5COC6H5 benzophenone 1AC2
1133 C19H16 Triphenylmethane 1AC3
1134 C60 Buckminsterfullerene 1AGIh

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 anion k-  
16 K+ Potassium atom cation k+  
17 Cu Copper atom cu  
18 Cu- Copper atom anion cu-  
19 Cu+ Copper atom cation cu+  
20 LiH Lithium Hydride lih  
21 LiH- lithium hydride anion lih-  
22 NaH- sodium hydride anion nah-  
23 NaH+ sodium hydride cation nah+  
24 KH+ Potassium hydrogen cation kh+  
25 CuH Copper monohydride cuh  
26 Be Beryllium atom be  
27 Be- Beryllium atom anion be-  
28 Be+ Beryllium atom cation be+  
29 Mg Magnesium atom mg  
30 Mg- Magnesium atom anion mg-  
31 Mg+ Magnesium atom cation mg+  
32 Ca Calcium atom ca  
33 Ca- Calcium atom anion ca-  
34 Ca+ Calcium atom cation ca+  
35 Zn Zinc atom zn  
36 Zn- Zinc atom anion zn-  
37 Zn+ Zinc atom cation zn+  
38 BeH- berylium monohydride anion beh-  
39 BeH+ beryllium monohydride cation beh+  
40 MgH- magnesium monohydride anion mgh-  
41 MgH+ magnesium monohydride cation mgh+  
42 ZnH Zinc monohydride znh  
43 CaH2 Calcium Hydride cah2  
44 ZnH2 Zinc hydride znh2  
45 B Boron atom b  
46 B- Boron atom anion b-  
47 B+ Boron atom cation b+  
48 BH- boron monohydride anion bh-  
49 BH+ boron monohydride cation bh+  
50 AlH aluminum monohydride alh  
51 AlH- aluminum monohydride anion alh-  
52 AlH+ aluminum monohydride cation alh+  
53 BH2 boron dihydride bh2  
54 BH2- boron dihydride anion bh2-  
55 BH2+ Boron dihydride cation bh2+  
56 AlH2 aluminum dihydride alh2  
57 AlH2- aluminum dihydride anion alh2-  
58 AlH2+ aluminum dihydride cation alh2+  
59 BH3- boron trihydride anion bh3-  
60 AlH3+ aluminum trihydride cation alh3+  
61 AlH4- Aluminum tetrahydride anion alh4-  
62 C- Carbon atom anion c-  
63 C+ Carbon atom cation c+  
64 Si Silicon atom si  
65 Si+ Silicon atom cation si+  
66 Ti Titanium atom ti  
67 Ti- Titanium atom anion ti-  
68 Ti+ Titanium atom cation ti+  
69 CH- methylidyne anion ch-  
70 CH+ Methylidyne cation ch+  
71 SiH- silicon monohydride anion sih-  
72 SiH2- silicon dihydride anion sih2-  
73 SiH2+ silicon dihydride cation sih2+  
74 GeH2- germylene anion geh2-  
75 SiH3- Silyl anion sih3-  
76 CD4 methane-d4 cd4  
77 CH2D2 methane-d2 ch2d2  
78 CH3D methane-d ch3d  
79 CH4+ Methane cation ch4+  
80 CHD3 methane-d3 chd3  
81 SiH4+ Silane cation sih4+  
82 N- Nitrogen atom anion n-  
83 N+ Nitrogen atom cation n+  
84 P- Phosphorus atom anion p-  
85 P+ Phosphorus atom cation p+  
86 NH Imidogen nh  
87 NH- Imidogen anion nh-  
88 NH+ imidogen cation nh+  
89 PH- phosphorus monohydride anion ph-  
90 PH+ phosphorus monohydride cation ph+  
91 AsH+ Arsenic monohydride cation ash+  
92 ND2 Amidogen-d2 nd2  
93 NH2- amino anion nh2-  
94 PH2 Phosphino radical ph2  
95 PH2- Phosphino anion ph2-  
96 PH2+ Phosphino cation ph2+  
97 AsH2 Arsenic dihydride ash2  
98 AsH2+ Arsenic dihydride cation ash2+  
99 ND3 Ammonia-d3 nd3  
100 O- Oxygen atom anion o-  
101 O+ Oxygen atom cation o+  
102 Cr Chromium atom cr  
103 DO Hydroxyl-d od  
104 DS Mercapto-d ds  
105 D2O Deuterium oxide d2o  
106 D2S Hydrogen sulfide-d2 d2s  
107 Mn Manganese atom mn  
108 I Iodine atom iodine  
109 I- Iodine atom anion iodine-  
110 I+ Iodine atom cation iodine+  
111 DF Hydrofluoric acid-d df  
112 DCl Hydrochloric acid-d dcl  
113 HI Hydrogen iodide hi  
114 HI+ Hydrogen iodide cation hi+  
115 H2F+ dihydrogen fluoride cation h2f+  
116 H2I+ Iodonium h2i+  
117 Ne- Neon atom anion ne-  
118 Ne+ Neon atom cation ne+  
119 Ar Argon atom ar  
120 Ar- Argon atom anion ar-  
121 Ar+ Argon atom cation ar+  
122 Fe Iron atom fe  
123 NeH+ neon hydrogen cation neh+  
124 Co Cobalt atom cobalt  
125 Ni Nickel atom ni  
126 Li2 Lithium diatomic li2  
127 Li2- lithium diatomic anion li2-  
128 NaLi- lithium sodium anion lina-  
129 NaLi+ lithium sodium cation lina+  
130 LiK Lithium Potassium lik  
131 NaK Sodium Potassium nak  
132 K2 Potassium diatomic k2  
133 Cu2 Copper diatomic cu2  
134 LiBe Lithium Beryllium libe  
135 LiMg Lithium magnesium limg  
136 NaBe Sodium Beryllium nabe  
137 NaMg Sodium Magnesium namg  
138 Be2- Beryllium diatomic anion be2-  
139 Be2+ Beryllium diatomic cation be2+  
140 Mg2- magnesium diatomic anion mg2-  
141 Mg2+ magnesium diatomic cation mg2+  
142 B2- Boron diatomic anion b2-  
143 Al2 Aluminum diatomic al2  
144 Al2- aluminum diatomic anion al2-  
145 Al2+ aluminum diatomic cation al2+  
146 LiBH4 Lithium borohydride libh4  
147 Al2H6 dialane al2h6  
148 LiC Lithium Carbide lic  
149 BC boron monocarbide bc  
150 BC- boron monocarbide anion bc-  
151 BC+ boron monocarbide cation bc+  
152 C2- carbon diatomic anion c2-  
153 SiC- silicon monocarbide anion sic-  
154 SiC+ silicon monocarbide cation sic+  
155 Si2 Silicon diatomic si2  
156 Si2- silcon diatomic anion si2-  
157 Si2+ silcon diatomic cation si2+  
158 Ge2 Germanium diatomic ge2  
159 C2H+ Ethynyl cation c2h+  
160 ZnCH2 Zinc methylene znch2  
161 CCH2 vinylidene vinylidene  
162 CuCH3 monomethyl copper cuch3  
163 ZnCH3 Zinc monomethyl znch3  
164 CH3CH methylmethylene ch3ch  
165 CH2SiH2 silaethylene ch2sih2  
166 C2H5- Ethyl anion c2h5-  
167 C2H5+ Ethyl cation c2h5+  
168 C2H6+ ethane cation c2h6+  
169 CH3SiH3 methyl silane ch3sih3  
170 GeH3CH3 methyl germane geh3ch3  
171 C2H7+ Ethane, protonated c2h7+  
172 LiN+ Lithium Nitride cation lin+  
173 BeN Beryllium mononitride ben  
174 BeN- Beryllium mononitride anion ben-  
175 BN- boron nitride anion bn-  
176 AlN- aluminum mononitride anion aln-  
177 AlN+ aluminum mononitride cation aln+  
178 GaN Gallium mononitride gan  
179 BN+ boron nitride cation bn+  
180 AlN Aluminum nitride aln  
181 CN+ Cyano cation cn+  
182 CP Carbon monophosphide cp  
183 CP- carbon monophosphide anion cp-  
184 CP+ carbon monophosphide cation cp+  
185 SiN Silicon nitride sin  
186 SiN- silicon mononitride anion sin-  
187 SiN+ silicon mononitride cation sin+  
188 SiP- Silicon monophosphide anion sip-  
189 SiP+ Silicon monophosphide cation sip+  
190 TiN Titanium mononitride tin  
191 PN- phosphorus nitride anion pn-  
192 PN+ phosphorus nitride cation pn+  
193 P2- phosphorus diatomic anion p2-  
194 P2+ phosphorus diatomic cation p2+  
195 AsN Arsenic mononitride asn  
196 AsP Arsenic monophosphide asp  
197 SbN Antimony nitride sbn  
198 As2 Arsenic diatomic as2  
199 HNB hydrogen nitrogen boron hnb  
200 HNC hydrogen isocyanide hnc  
201 HCN- Hydrogen cyanide anion hcn-  
202 HCP Phosphaethyne hcp  
203 NNH Dinitrogen monohydride nnh  
204 HPO Hydrogen phosphorus oxide hpo  
205 HPO+ Hydrogen phosphorus oxide cation hpo+  
206 CNH2+ N-protonated hydrogen isocyanide cnh2+  
207 H2CN+ hydrocyanonium cation h2cn+  
208 HCNH methyleneazane hcnh  
209 HCNH+ N-protonated HCN hcnh+  
210 CH2PH Phosphaethene ch3p  
211 P2H4 Diphosphine p2h4  
212 CH3PH2 Methyl phosphine ch3ph2  
213 CH3NH3+ protonated methylamine ch3nh3+  
214 LiO- lithium oxide anion lio-  
215 LiO+ lithium oxide cation lio+  
216 NaO- sodium oxide anion nao-  
217 NaO+ sodium oxide cation nao+  
218 CuO Copper Monoxide cuo  
219 BeO- Beryllium monoxide anion beo-  
220 BeO+ Beryllium monoxide cation beo+  
221 BeS beryllium sulfide bes  
222 MgO magnesium oxide mgo  
223 MgO- magnesium oxide anion mgo-  
224 MgO+ magnesium oxide cation mgo+  
225 MgS magnesium sulfide mgs  
226 MgS- magnesium sulfide anion mgs-  
227 MgS+ magnesium sulfide cation mgs+  
228 ZnO zinc monoxide zno  
229 ZnS Zinc sulfide zns  
230 BeS- Beryllium monosulfide anion bes-  
231 BeS+ Beryllium monosulfide cation bes+  
232 BO- boron monoxide anion bo-  
233 AlO Aluminum monoxide alo  
234 AlO- Aluminum monoxide anion alo-  
235 AlO+ aluminum monoxide cation alo+  
236 BS boron sulfide bs  
237 BS- boron monosulfide anion bs-  
238 BS+ boron monosulfide cation bs+  
239 AlS Aluminum sulfide als  
240 AlS- aluminum monosulfide anion als-  
241 AlS+ aluminum monosulfide cation als+  
242 BO+ boron monoxide cation bo+  
243 CS carbon monosulfide cs  
244 CS- carbon monosulfide anion cs-  
245 CS+ carbon monosulfide cation cs+  
246 SiO- silicon monoxide anion sio-  
247 SiO+ silicon monoxide cation sio+  
248 SiS- silicon monosulfide anion sis-  
249 SiS+ silicon monosulfide cation sis+  
250 CSe- Carbon monoselenide anion cse-  
251 CSe+ Carbon monoselenide cation cse+  
252 NS- nitrogen sulfide anion ns-  
253 NS+ nitrogen sulfide cation ns+  
254 PO- phosphorus monoxide anion po-  
255 PO+ phosphorus monoxide cation po+  
256 PS- phosphorus monosulfide anion ps-  
257 PS+ phosphorus monosulfide cation ps+  
258 AsO Arsenic monoxide aso  
259 SO- sulfur monoxide anion so-  
260 S2- sulfur diatomic anion s2-  
261 S2+ sulfur diatomic cation s2+  
262 SeO- selenium monoxide anion seo-  
263 SeO+ selenium monoxide cation seo+  
264 SeS Selenium monosulfide ses  
265 SeS- selenium monosulfide anion ses-  
266 SeS+ selenium monosulfide cation ses+  
267 Se2- selenium diatomic anion se2-  
268 Se2+ selenium diatomic cation se2+  
269 NaOH sodium hydroxide naoh  
270 MgOH magnesium hydroxide mgoh  
271 CaOH Calcium monohydroxide caoh  
272 HCS Thioformyl radical hcs  
273 HCS- Thioformyl anion hcs-  
274 HCS+ Thioformyl cation hcs+  
275 HNO- Nitrosyl hydride anion hno-  
276 HNS Sulfur imide hns  
277 HNS- Sulfur imide anion hns-  
278 HO2- Hydroperoxy anion ho2-  
279 HS2 Thiosulfeno radical hs2  
280 HOCH hydroxycarbene hoch  
281 H2O2+ Hydrogen peroxide cation h2o2+  
282 CH3O Methoxy radical ch3o  
283 CH3S thiomethoxy ch3s  
284 NH3O Ammonia Oxide nh3o  
285 H3O2+ hydrogen peroxide, protonated h3o2+  
286 CH3SeH Methane selenol ch3seh  
287 CH3OH2+ Methanol, protonated ch3oh2+  
288 H2ONH3 Water Ammonia Dimer h2onh3  
289 LiCl- lithium chloride anion licl-  
290 LiCl+ lithium chloride cation licl+  
291 NaF- sodium fluoride anion naf-  
292 KF Potassium Fluoride kf  
293 NaCl- sodium chloride anion nacl-  
294 NaCl+ sodium chloride cation nacl+  
295 KCl Potassium Chloride kcl  
296 CuF Copper monofluoride cuf  
297 LiBr- lithium bromide anion libr-  
298 LiBr+ lithium bromide cation libr+  
299 CuCl Copper monochloride cucl  
300 NaBr Sodium Bromide nabr  
301 NaBr- sodium bromide anion nabr-  
302 NaBr+ sodium bromide cation nabr+  
303 KBr Potassium Bromide kbr  
304 KI Potassium Iodide ki  
305 LiF- lithium fluoride anion lif-  
306 BeF Beryllium monofluoride bef  
307 BeF- Beryllium monofluoride anion bef-  
308 BeF+ Beryllium monofluoride cation bef+  
309 BeCl beryllium monochloride becl  
310 MgF Magnesium monofluoride mgf  
311 MgF- magnesium fluoride anion mgf-  
312 CaF Calcium monofluoride caf  
313 MgCl magnesium monochloride mgcl  
314 MgCl- magnesium monochloride anion mgcl-  
315 MgCl+ magnesium monochloride cation mgcl+  
316 CaCl calcium monochloride cacl  
317 ZnF- Zinc monofluoride anion znf-  
318 ZnF+ Zinc monofluoride cation znf+  
319 ZnCl Zinc monochloride zncl  
320 BeCl- beryllium monochloride anion becl-  
321 BeCl+ beryllium monochloride cation becl+  
322 BF- Boron monofluoride anion bf-  
323 BF+ Boron monofluoride cation bf+  
324 AlF- Aluminum monofluoride anion alf-  
325 AlF+ Aluminum monofluoride cation alf+  
326 BCl boron monochloride bcl  
327 BCl- boron monochloride anion bcl-  
328 BCl+ boron monochloride cation bcl+  
329 AlCl- aluminum monochloride anion alcl-  
330 AlCl+ aluminum monochloride cation alcl+  
331 BBr Boron monobromide bbr  
332 CF- carbon monofluoride anion cf-  
333 CF+ carbon monofluoride cation cf+  
334 CCl carbon monochloride ccl  
335 CCl- carbon monochloride anion ccl-  
336 CCl+ carbon monochloride cation ccl+  
337 SiF- silicon monofluoride anion sif-  
338 SiCl- silicon monochloride anion sicl-  
339 SiCl+ silicon monochloride cation sicl+  
340 NF nitrogen fluoride nf  
341 NF- nitrogen monofluorine anion nf-  
342 NF+ nitrogen monofluoirde cation nf+  
343 NCl- nitrogen monochloride anion ncl-  
344 NCl+ nitrogen monochloride cation ncl+  
345 PF phosphorus monofluoride pf  
346 PF- phosphorus monofluoride anion pf-  
347 PF+ phosphorus monofluoride cation pf+  
348 PCl phosphorus chloride pcl  
349 PCl- phosphorus monochloride anion pcl-  
350 PCl+ phosphorus monochloride cation pcl+  
351 NBr nitrogen monobromide nbr  
352 SbF Antimony monofluoride sbf  
353 SbCl Antimony monochloride sbcl  
354 FO- flourine oxide anion fo-  
355 FO+ fluorine monoxide cation fo+  
356 ClO- chlorine monoxide anion clo-  
357 SF- sulfur monofluoride anion sf-  
358 SCl- sulfur monochloride anion scl-  
359 BrO- Bromine monoxide anion bro-  
360 IO Iodine monoxide io  
361 ClF- clorine monofluoride anion clf-  
362 BrF- bromine fluoride anion brf-  
363 BrF+ bromine fluoride cation brf+  
364 BrCl- bromine chloride anion brcl-  
365 BrCl+ bromine chloride cation brcl+  
366 IF Iodine monofluoride if  
367 ICl Iodine monochloride icl  
368 IBr Iodine monobromide ibr  
369 I2 Iodine diatomic i2  
370 HCCl Chloromethylene hccl  
371 CHBr bromomethylene chbr  
372 DOCl Hypochlorous acid-d docl  
373 HOBr+ Hypobromous acid cation hobr+  
374 FHF Hydrogen difluoride fhf  
375 FHF- Hydrogen difluoride anion fhf-  
376 NH2F monofluoroamine nh2f  
377 H2F2 Hydrogen fluoride dimer h2f2  
378 CD3F methylfluoride-d3 cd3f  
379 CD3Cl methyl chloride d3 cd3cl  
380 CH3I methyl iodide ch3i  
381 Ne2 Neon diatomic ne2  
382 C3+ carbon trimer cation c3+  
383 C3H3 Propargyl radical propargyl  
384 C3H3- Propargyl anion c3h3-  
385 C3H3+ cyclopropenyl cation cpr+  
386 C3H3+ Propargyl cation c3h3+  
387 C3H5+ Allyl cation allyl+  
388 CH3CHCH 1-propenyl radical ch3chch  
389 Zn(CH3)2 dimethyl zinc dmz  
390 SiH2(CH3)2 dimethylsilane dms  
391 CuCN Copper cyanide cucn  
392 N3- azide anion n3-  
393 HCNN diazomethyl radical hcnn  
394 CH2N2 diazirine ch2n2  
395 CH2NN diazomethane ch2nn  
396 CH3CN+ Acetonitrile cation ch3cn+  
397 CH3NC methyl isocyanide ch3nc  
398 CH3CHN methylmethaniminyl radical ch3chn  
399 NHCHNH2 aminomethanimine cn2h4  
400 C2H5N Aziridine c2h5n  
401 CH2CHNH2 aminoethene aminoethene  
402 CH2NCH3 N-methylmethanimine nmm  
403 NH2BHNH2 diaminoborane nh2bhnh2  
404 NH2CH2NH2 diaminomethane nh2ch2nh2  
405 CH3NHCH3 Dimethylamine ch3nhch3  
406 NH2CH2NH3+ diaminoethane, protonated pdam  
407 Li2O+ dilithium oxide cation li2o+  
408 CNO- fulminate cno-  
409 NCO- cyanate nco-  
410 SCN thiocyanato radical scn  
411 SCN- thiocyanide anion scn-  
412 BO2 Boron dioxide bo2  
413 BO2- Boron dioxide anion bo2-  
414 BO2+ Boron dioxide cation bo2+  
415 N2O+ Nitrous oxide cation n2o+  
416 NNS Nitrogen sulfide nns  
417 PPO Phosphorus oxide phosphide ppo  
418 CO2- Carbon dioxide anion co2-  
419 CO2+ Carbon dioxide cation co2+  
420 OCS+ Carbonyl sulfide cation cos+  
421 SiO2 silicon dioxide sio2  
422 CS2- Carbon disulfide anion cs2-  
423 CS2+ Carbon disulfide cation cs2+  
424 GeS2 Germanium disulfide ges2  
425 NO2- Nitrogen dioxide anion no2-  
426 PO2 Phosphorus dioxide po2  
427 PO2- Phosphorus dioxide anion po2-  
428 PO2+ Phosphorus dioxide cation po2+  
429 AsO2 Aresenic dioxide aso2  
430 O3- Ozone anion o3-  
431 O3+ Ozone cation o3+  
432 SO2- Sulfur dioxide anion so2-  
433 SO2+ Sulfur dioxide cation so2+  
434 S3- Sulfur trimer anion s3-  
435 CS2H+ Carbon disulfide, protonated cs2h+  
436 HNCO Isocyanic acid hnco  
437 HOCN cyanic acid hocn  
438 HCO2- formate anion hco2-  
439 HNNO nitrosoazane hnno  
440 HCOO formate neutral radical hcoo  
441 HOCO+ Hydrocarboxyl cation hoco+  
442 HNO2 Nitrous acid hno2  
443 HNO2+ nitrous acid cation hno2+  
444 CH2CO+ Ketene cation ch2co+  
445 HCCOH ethynol hccoh  
446 Mg(OH)2 Magnesium dihydroxide h2mgo2  
447 CH2O2 Dioxirane diox  
448 H2O3 Hydrogen trioxide h2o3  
449 NaOCH3 Sodium methoxide naoch3  
450 CH2CHO Vinyloxy radical ch2cho  
451 CH3CO Acetyl radical ch3co  
452 CH3CO- Acetyl anion ch3co-  
453 CH3CO+ acetyl cation ch3co+  
454 CHONH2 formamide formamide  
455 CH2OOH CH2OOH radical ch2ooh  
456 CH3OO methylperoxy radical ch3oo  
457 CH3OO- methylperoxy anion ch3oo-  
458 CH3OO+ methylperoxy cation ch3oo+  
459 CH2CHOH ethenol ch2choh  
460 H2CONH2+ protonated formamide h2conh2+  
461 NH3CHO+ Formamide, N-Protonated nh3cho+  
462 CH2(OH)2 methanediol ch2o2h2  
463 CH3OOH Methyl peroxide ch3ooh  
464 H2OH2CO water formaldehyde dimer h2oh2co  
465 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
466 CH3CH2O Ethoxy radical ethoxy  
467 CH3OCH2 methoxymethyl radical ch3och2  
468 CH3OHH2O methanol water dimer ch3ohh2o  
469 H2OCH3OH water methanol dimer h2och3oh  
470 ZnF2 Zinc difluoride znf2  
471 FCN Cyanogen fluoride fcn  
472 ClCN chlorocyanogen clcn  
473 BeF2 Beryllium fluoride bef2  
474 MgF2 Magnesium fluoride mgf2  
475 BeCl2 Beryllium chloride becl2  
476 MgCl2 Magnesium dichloride mgcl2  
477 CaCl2 Calcium Chloride cacl2  
478 ZnCl2 Zinc dichloride zncl2  
479 CaF2 Calcium difluoride caf2  
480 BrNO Nitrosyl bromide brno  
481 CF2- Difluoromethylene anion cf2-  
482 CF2+ Difluoromethylene cation cf2+  
483 CCl2 dichloromethylene ccl2  
484 CCl2- dichloromethylene anion ccl2-  
485 CCl2+ dichloromethylene cation ccl2+  
486 SiCl2 Dichlorosilylene sicl2  
487 GeF2 Germanium difluoride gef2  
488 FOO Dioxygen monofluoride radical foo  
489 ClOO chloroperoxy radical cloo  
490 ClOO+ chloroperoxy cation cloo+  
491 OClO+ Chlorine dioxide cation oclo+  
492 ClS2 Sulfur chloride cls2  
493 NF2 Difluoroamino radical nf2  
494 NF2+ Difluoroamino cation nf2+  
495 F2O Difluorine monoxide f2o  
496 SF2- sulfur difluoride anion sf2-  
497 SF2+ sulfur difluoride cation sf2+  
498 Cl2O Dichlorine monoxide cl2o  
499 BrOCl Bromine hypochlorite brocl  
500 BrOBr Bromine oxide brobr  
501 F3- trifluoride anion f3-  
502 Cl3- trichloride anion cl3-  
503 HCCF+ fluoroacetylene cation hccf+  
504 HFCO formyl fluoride hfco  
505 COHCl Formyl chloride cohcl  
506 COHBr Formyl bromide cohbr  
507 BHF2 Difluoroborane bhf2  
508 BHCl2 Borane, dichloro- bhcl2  
509 HOClO Chlorous acid hoclo  
510 CH2FCl fluorochloromethane ch2fcl  
511 CH2CHF+ fluoroethene cation ch2chf+  
512 C2H3Cl Ethene, chloro- ch2chcl  
513 C2H3Br vinyl bromide c2h3br  
514 CH3OCl methyl hypochlorite ch3ocl  
515 C2H5F fluoroethane c2h5f  
516 CH3CH2Cl Ethyl chloride c2h5cl  
517 CH3SiFH2 fluoromethylsilane ch3sifh2  
518 C2H5I Ethyl iodide c2h5i  
519 KrF2 Krypton difluoride krf2  
520 C4+ Carbon tetramer cation c4+  
521 C2H3CCH 1-Buten-3-yne c2h3cch  
522 C4H4 cyclobutadiene cbd  
523 H2CCCCH2 Butatriene h2cccch2  
524 C4H6 Cyclobutene c822355  
525 C4H6 Methylenecyclopropane c6142730  
526 CH2CCHCH3 1,2-Butadiene butad12  
527 CH2CHCHCH2 1,3-Butadiene c106990  
528 CH3CCCH3 2-Butyne c503173  
529 CH3CHCHCH2 methylallyl radical c4h7  
530 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
531 CH3CHCHCH3 2-Butene, (E)- bute2e  
532 CH3CHCHCH3 2-Butene, (Z)- bute2z  
533 B(CH3)3 trimethylborane bme3  
534 Al(CH3)3 trimethyl aluminum tma  
535 C(CH3)3 Tert-butyl radical tbutyl  
536 CH2CH(CH3)2 Isobutyl radical isobutyl  
537 CH3CHCH2CH3 2-Butyl radical butyl2  
538 CH3CH(CH3)CH3 Isobutane isobutane  
539 SiH(CH3)3 trimethylsilane trimsi  
540 C2N2+ Cyanogen cation c2n2+  
541 P4 Phosphorus tetramer p4  
542 HCCCN Cyanoacetylene hcccn  
543 C3H3N acrylonitrile ch2chcn  
544 CH5N3 Guanidine guanidine  
545 CH6N3+ guanidinium ch6n3+  
546 C3H7N Cyclopropylamine cpram  
547 C3H7N Azetidine azet  
548 C2H8N2 Ethylenediamine ethdiam  
549 CH3NHNHCH3 dimethyl hydrazine dmh  
550 CH3CH(NH2)CH3 2-Propanamine pram2  
551 N(CH3)3 Trimethylamine trimeam  
552 As(CH3)3 trimethyl arsine tmas  
553 Li2O2 dilithium dioxide li2o2  
554 B2O2 Diboron dioxide b2o2  
555 CO3-- carbonate co3--  
556 NO3 Nitrogen trioxide no3  
557 NO3+ nitrogen trioxide cation no3+  
558 SO3- Sulfur trioxide anion so3-  
559 SO3+ Sulfur trioxide cation so3+  
560 SeO3 selenium trioxide seo3  
561 HCO3- bicarbonate anion hco3-  
562 HSO3 Hydroxysulfonyl radical hso3  
563 C2H2CO cyclopropenone c2h2co  
564 HCCCHO 2-propynal hcccho  
565 C2H2O2+ Ethanedial cation c2h2o2+  
566 H2CO3 Carbonic acid h2co3  
567 H2CS3 thiocarbonic acid h2cs3  
568 H2NO3+ Nitric Acid, Protonated h2no3+  
569 CH3COO- acetate anion ch3coo-  
570 CH3ONO Methyl nitrite ch3ono  
571 H3BO3 Boric acid h3bo3  
572 H3CO3+ carbonic acid, protonated h3co3+  
573 C3H4O 2-Propyn-1-ol c107197  
574 C3H4O allenol c9000071  
575 C3H4O Cyclopropanone cpone  
576 C3H4O Methylketene c6004440  
577 NH2CONH2+ Urea cation urea+  
578 NH2CSNH2 Thiourea thiourea  
579 C2H4O2 1,3-dioxetane c2h4o2  
580 CH3COOH Acetic acid ch3cooh  
581 CH3OCHO methyl formate ch3ocho  
582 CHOCH2OH hydroxy acetaldehyde haa  
583 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
584 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
585 HCOOHH2O Formic acid water dimer hcoohh2o  
586 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
587 CH3CONH2 Acetamide acetamide  
588 C2H5OO ethylperoxy radical c2h5oo  
589 C3H6O Propylene oxide prox  
590 CH3COCH3- acetone anion ch3coch3-  
591 C3H6S Thietane thietane  
592 C3H6S Thiirane, methyl- methiirane  
593 CH3CSCH3 Thioacetone ch3csch3  
594 C2H6O2 1,2-Ethanediol ethdiol  
595 CH3OOCH3 dimethylperoxide dmp  
596 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
597 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
598 CH3COHCH3+ acetone, protonated acetoneh+  
599 CH3CHOHCH3 Isopropyl alcohol isoproh  
600 C3H7SH 1-Propanethiol prsh  
601 CH3CHSHCH3 2-Propanethiol isoprsh  
602 CH3SCH2CH3 Ethane, (methylthio)- etsme  
603 H2OCH3OCH3 water dimethylether dimer h2och3och3  
604 Na2F2 Sodium Fluoride Dimer na2f2  
605 Na2Cl2 Disodium dichloride na2cl2  
606 C2F2 difluoroacetylene c2f2  
607 C2Cl2 dichloroacetylene c2cl2  
608 C2Cl2+ dichloroacetylene cation c2cl2+  
609 ClNO2 Nitryl chloride clno2  
610 BrONO Bromine nitrite brono  
611 N2F2 (Z)-Difluorodiazene n2f2_z  
612 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
613 COFCl Carbonic chloride fluoride cofcl  
614 CCl2O Phosgene cl2co  
615 Cl2CS Thiophosgene cl2cs  
616 COBr2 Carbonic dibromide cobr2  
617 BF3 Borane, trifluoro- bf3  
618 BF3- Borane, trifluoro- anion bf3-  
619 AlF3 Aluminum trifluoride alf3  
620 AlF2Cl Aluminum chloride difluoride alclf2  
621 AlFCl2 Aluminum dichloride fluoride alcl2f  
622 AlCl3 Aluminum trichloride alcl3  
623 BBr3 Boron tribromide bbr3  
624 AlBr3 Aluminum Bromide albr3  
625 ClO3 Chlorine trioxide clo3  
626 ClO3- chlorate anion clo3-  
627 BrO3- Bromate anion bro3-  
628 CF3 Trifluoromethyl radical cf3  
629 CCl3 Trichloromethyl radical ccl3  
630 CCl3- Trichloromethyl anion ccl3-  
631 CCl3+ Trichloromethyl cation ccl3+  
632 SiCl3 trichlorosilyl radical sicl3  
633 SiCl3+ trichlorosilyl cation sicl3+  
634 FOOF Perfluoroperoxide foof  
635 F2SO Thionyl Fluoride f2so  
636 FSSF Difluorodisulfane fssf  
637 S2F2 Thio-thionyl fluoride s2f2  
638 SOCl2 thionyl chloride socl2  
639 SeOCl2 selenium oxychloride seocl2  
640 NF3- Nitrogen trifluoride anion nf3-  
641 NF3+ Nitrogen trifluoride cation nf3+  
642 PF3 Phosphorus trifluoride pf3  
643 AsF3 Arsenic trifluoride asf3  
644 PCl3 Phosphorus trichloride pcl3  
645 PBr3 Phosphorus tribromide pbr3  
646 AsBr3 Arsenic tribromide asbr3  
647 ClSSCl Disulfur dichloride s2cl2  
648 SF3 Sulfur trifluoride sf3  
649 BrF3 Bromine trifluoride brf3  
650 CHF2Cl difluorochloromethane chf2cl  
651 CHFCl2 fluorodichloromethane chfcl2  
652 CDCl3 trichloromethane-d cdcl3  
653 SiHCl3 Trichlorosilane sihcl3  
654 CHCl2I dichloroiodomethane chcl2i  
655 CHClBr2 Methane, dibromochloro- chclbr2  
656 CHBr3 bromoform chbr3  
657 CHI3 Iodoform chi3  
658 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
659 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
660 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
661 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
662 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
663 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
664 C2H2Br2 1,1-dibromoethene c2h2br2  
665 CH2FCHO Fluoroacetaldehyde ch2fcho  
666 CH3COF Acetyl fluoride ch3cof  
667 CH2ClCHO chloroacetaldehyde ch2clcho  
668 CH3COCl Acetyl Chloride ch3cocl  
669 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
670 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
671 CH2CFCH3 2-fluoropropene 2fpro  
672 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
673 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
674 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
675 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
676 CH3CH2CH2Br n-propyl bromide prbr  
677 CH3CHBrCH3 i-propyl bromide iprbr  
678 C3H9O+ trimethyl oxonium cation c3h9o+  
679 C5H5 cyclopentadienyl radical c5h5  
680 C5H5- cylopentadienyl anion c5h5-  
681 C5H6 1,3-Cyclopentadiene c542927  
682 C5H6 1-Buten-3-yne, 2-methyl- c78808  
683 C5H6 3-Penten-1-yne, (E)- c2004695  
684 C5H6 3-Penten-1-yne, (Z)- c1574409  
685 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
686 C5H6 Cyclopropylacetylene c6746947  
687 C5H7 1,3-pentadienyl radical pdyl  
688 C5H7 cyclopentenyl radical cpyl  
689 C5H8 1,2-Butadiene, 3-methyl- c598254  
690 C5H8 1,2-Pentadiene c591957  
691 C5H8 1,3-Butadiene, 2-methyl- c78795  
692 C5H8 1,3-Pentadiene, (E)- c2004708  
693 C5H8 1,3-Pentadiene, (Z)- c1574410  
694 C5H8 1,4-Pentadiene c591935  
695 C5H8 1-pentyne a1pentyne  
696 C5H8 2,3-Pentadiene c591968  
697 C5H8 Cyclobutane, methylene- c1120565  
698 C5H8 Cyclopentene c142290  
699 CH3CCCH2CH3 2-Pentyne 2pentyne  
700 C5H10 1-Butene, 2-methyl- c563462  
701 C5H10 2-Butene, 2-methyl- c513359  
702 C5H10 2-Pentene, (E)- c646048  
703 C5H10 2-Pentene, (Z)- c627203  
704 C5H10 Cyclopentane c287923  
705 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
706 CH2CHCH2CH2CH3 1-pentene pentene  
707 C5H11 2-Methylbut-2-yl radical c4348350  
708 C5H12 Butane, 2-methyl- buta2  
709 C5H12 Pentane pentane  
710 C5H12 Propane, 2,2-dimethyl- neopentane  
711 Si(CH3)4 tetramethylsilane tms  
712 N2O3 Dinitrogen trioxide n2o3  
713 C3H2N2 Malononitrile c3h2n2  
714 C2H3N3 1H-1,2,4-Triazole c288880  
715 C3H4N2 1H-Pyrazole 1hpyraz  
716 C4H5N (E)-2-Butenenitrile c627269  
717 C4H5N (Z)-2-Butenenitrile c1190767  
718 C4H5N 2H-pyrrole pyrrole2  
719 C4H5N 3H-pyrrole pyrrole3  
720 C4H5N Cyclopropanecarbonitrile c5500210  
721 CH2CHCH2CN Allylcyanide ch2chch2cn  
722 C3H6N2 3-Aminopropionitrile c151188  
723 C5H8 Bicyclo[2.1.0]pentane c185944  
724 C5H8 Spiropentane c157404  
725 C4H9N Cyclobutylamine cbam  
726 C4H9N Pyrrolidine pyrrolidine  
727 C3H10N2 1,2-Diaminopropane diampr12  
728 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
729 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
730 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
731 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
732 NC4H12+ tetramethyl ammonium cation nc4h12+  
733 C3O2+ Carbon suboxide cation c3o2+  
734 CaCO3 Calcium Carbonate caco3  
735 PO4--- phosphate po4---  
736 SO4-- sulfate so4--  
737 HOONO2 peroxy nitric acid hoono2  
738 HSO4- bisulfate anion hso4-  
739 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
740 C3H2O2 Propiolic acid c3h2o2  
741 CHOCOOH oxo acetic acid oaa  
742 H2SO4 Sulfuric acid h2so4  
743 H2SeO4 Selenic acid h2seo4  
744 CH3C(O)OO acetyl peroxy radical ch3coo2  
745 CH3NO3 Methyl nitrate ch3no3  
746 H3PO4 Phosphoric Acid h3po4  
747 C4H4O+ Furan cation furan+  
748 C4H4S Thiophene furans  
749 C3H4O2 β–Propiolactone beta  
750 C3H4O2 2-Propenoic acid propenoic2  
751 C3H4O2 Methyl glyoxal megly  
752 C3H4O2 propanedial propanedial  
753 C3H4O2 propenalol propenalol  
754 HOCHCCHOH allenediol aldiol  
755 C2H4O3 1,2,3-trioxolane c2h4o3  
756 C2H4O3 trioxolane124 triox  
757 HOCH2COOH Hydroxyacetic acid hac  
758 CH2CHCONH2 Acrylamide c79061  
759 CH5N3S Hydrazinecarbothioamide c79196  
760 H2NCH2COOH Glycine glycine  
761 C4H6O cis-2-butenal butenal2c  
762 C4H6O Cyclobutanone cbutone  
763 C4H6O Furan, 2,3-dihydro- furan23h  
764 C4H6O Furan, 2,5-dihydro- furan25h  
765 CH2CHOCHCH2 Vinyl ether vinylether  
766 CHOCHCHCH3 2-Butenal butenal2  
767 C4H6S Thiophene, 2,3-dihydro- thiop23h  
768 C4H6S Thiophene, 2,5-dihydro- thiop25h  
769 C2H6N2O Urea, methyl- c598505  
770 C3H6O2 1,3-Dioxolane dioxolane  
771 CH3CH2COOH Propanoic Acid propanoic  
772 CH3COOCH3 methyl acetate aame  
773 CH3SSSCH3 dimethyl trisulfide c2h6s3  
774 C3H7NO dimethylformamide dmf  
775 C3H7NO Propanamide propanam  
776 C2H3OC2H5 Ethene, ethoxy- c109922  
777 C4H8O Cyclobutanol c2919235  
778 C4H8O Furan, tetrahydro- thf  
779 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
780 CH3COCH2CH3 2-Butanone buta2one  
781 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
782 CHOCH2CH2CH3 Butanal butanal  
783 C3H8O2 1,3-Propanediol c504632  
784 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
785 C3H8O2 Methane, dimethoxy- c109875  
786 C3H8O2 Propylene glycol c57556  
787 C3H8S2 1,3-Propanedithiol c109808  
788 C4H10O 1-Butanol butanol1  
789 C4H10O 1-Propanol, 2-methyl- c78831  
790 C4H10O 2-Butanol, (.+/-.)- butanol2  
791 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
792 C4H10O Propane, 2-methoxy- c598538  
793 C4H10O+ 1-Butanol cation butanol1+  
794 C2H5SC2H5 Diethyl sulfide etset  
795 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
796 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
797 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
798 FNO3 Fluorine nitrate fno3  
799 ClONO2 Chlorine nitrate clono2  
800 TiCl4 Titanium tetrachloride ticl4  
801 ClO4- perchlorate anion clo4-  
802 BF4- tetrafluoroboron anion bf4-  
803 ClFO3 Perchloryl fluoride clfo3  
804 SO2F2 Sulfuryl fluoride so2f2  
805 SO2Cl2 Sulfuryl chloride so2cl2  
806 F3NO Nitrogen trifluoride oxide f3no  
807 F3PO Phosphoryl fluoride pf3o  
808 Cl3PO Phosphoryl chloride pcl3o  
809 CF4 Carbon tetrafluoride cf4  
810 SiF4 Silicon tetrafluoride sif4  
811 CFCl3 Trichloromonofluoromethane cfcl3  
812 CCl4+ Carbon tetrachloride cation ccl4+  
813 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
814 SiCl4 Silane, tetrachloro- sicl4  
815 CF3I trifluoroiodomethane cf3i  
816 CBrCl3 Methane, bromotrichloro- cbrcl3  
817 CBr2F2 Methane, dibromodifluoro- cbr2f2  
818 GeCl4 Germanium Tetrachloride gecl4  
819 CBr3I tribromoiododmethane cbr3i  
820 C2HF3 Trifluoroethylene c2hf3  
821 C2HF3+ Trifluoroethylene cation c2hf3+  
822 CHClCCl2 Trichloroethylene chclccl2  
823 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
824 HClO4 perchloric acid hclo4  
825 HSO3F Fluorosulfonic acid hso3f  
826 CF3OH trifluoromethanol cf3oh  
827 CHClCCHCl 1,3-dichloroallene chclcchcl  
828 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
829 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
830 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
831 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
832 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
833 SiCl3CH3 methyltrichlorosilane sicl3ch3  
834 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
835 NH3BCl3 Amminetrichloroboron nh3bcl3  
836 C3H5ClO Oxirane, (chloromethyl)- c106898  
837 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
838 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
839 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
840 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
841 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
842 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
843 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
844 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
845 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
846 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
847 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
848 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
849 C4H9F 1-fluorobutane butaf1  
850 CH3CHFCH2CH3 2-fluorobutane butaf2  
851 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
852 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
853 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
854 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
855 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
856 C6H4 Benzyne benzyne  
857 C6H5 phenyl phenyl  
858 C6H5- phenyl anion phenyl-  
859 C6H6 2,4-Hexadiyne hexadiyne  
860 C6H6 3,4-Dimethylenecyclobutene cb34m  
861 C6H6+ Benzene cation c6h6+  
862 C6H8 (E)-hexa-1,3,5-triene c821078  
863 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
864 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
865 C6H8 1,3-Cyclohexadiene cyhexadiene13  
866 C6H8 1,4-Cyclohexadiene cyhexadiene14  
867 C6H8 3-Methylenecyclopentene c930267  
868 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
869 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
870 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
871 C6H10 1,3-Hexadiene, (E)- hexdi13e  
872 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
873 C6H10 1,4-Hexadiene, (E)- hexdi14t  
874 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
875 C6H10 1-Butyne, 3,3-dimethyl- c917920  
876 C6H10 1-Hexyne hexyne1  
877 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
878 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
879 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
880 C6H10 2-Hexyne c764352  
881 C6H10 cyclohexene cyclohexene  
882 C6H10 Cyclopentene, 1-methyl- c693890  
883 C6H10 Cyclopentene, 3-methyl- c1120623  
884 C6H10 Cyclopentene, 4-methyl- c1759815  
885 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
886 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
887 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
888 C6H12 (E)-2-Hexene e2hexene  
889 C6H12 (E)-3-methylpent-2-ene c616126  
890 C6H12 (E)-hex-3-ene e3hexene  
891 C6H12 (Z)-3-methylpent-2-ene c922623  
892 C6H12 (Z)-hex-2-ene z2hexene  
893 C6H12 (Z)-hex-3-ene z3hexene  
894 C6H12 2,3-dimethyl-but-2-ene tmeet  
895 C6H12 3-methylenepentane c760214  
896 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
897 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
898 C6H12 Cyclohexane cyclohexane  
899 C6H12 Cyclopentane, methyl- c96377  
900 C6H12 Ethylcyclobutane c4806615  
901 C6H14 Butane, 2,2-dimethyl- buta22  
902 C6H14 Butane, 2,3-dimethyl- buta23  
903 C6H14 Hexane hexane  
904 C6H14 Pentane, 2-methyl- penta2  
905 C6H14 Pentane, 3-methyl- penta3  
906 C4N2 2-Butynedinitrile c4n2  
907 C2H2N4 sym-tetrazine ttz  
908 C3H3N3 1,3,5-Triazine triazine135  
909 CH3N5 5-Aminotetrazole c4418615  
910 C4H4N2 1,3-Diazine diazine13  
911 C4H4N2 Pyrazine pyrazine  
912 C4H4N2 Pyridazine pyridazine  
913 C4H4N2 Succinonitrile c110612  
914 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
915 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
916 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
917 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
918 C5H5N E-2,4-pentadienenitrile bdcn  
919 C5H5N Pyridine pyridine  
920 B3N3H6 borazine borazine  
921 C6H6 Fulvene fulvene  
922 C4H6N2 1H-Imidazole, 2-methyl- c693981  
923 C5H7N (E)-2-Pentenenitrile c26294984  
924 C5H7N (E)-3-Pentenenitrile c16529661  
925 C5H7N (Z)-2-Pentenenitrile c25899507  
926 C5H7N 1H-Pyrrole, 1-methyl- c96548  
927 C5H7N Cyclobutanecarbonitrile c4426113  
928 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
929 C5H9N Butanenitrile, 2-methyl- c18936179  
930 C5H9N Pentanenitrile c110598  
931 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
932 C6H10 Bicyclo[3.1.0]hexane c285585  
933 C5H11N Cyclopentanamine cypentam  
934 C5H11N Piperidine piper  
935 C4H12N2 1,2-Butanediamine c4426486  
936 C4H12N2 2-Methyl-1,2-propanediamine c811938  
937 Li2CO3 Lithium Carbonate li2co3  
938 Na2CO3 Sodium Carbonate na2co3  
939 C2O4-- oxalate anion c2o4  
940 C2H3NO3 Oxamic acid oxamic  
941 C4H4O2 2(5H)-Furanone furanone  
942 C4H4O2 2-Oxetanone, 4-methylene- c674828  
943 C2H4N2O2 Oxalamide oxalamide  
944 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
945 C3H4S3 1,3-Dithiolane-2-thione c822388  
946 C4H5NO 3-Methylisoxazole isox3m  
947 C4H5NO Isoxazole, 5-methyl- c5765446  
948 C4H5NS 4-Methylthiazole c693958  
949 C5H6O 2-methylfuran furan2m  
950 C5H6O 3-Methylfuran furan3m  
951 C5H6S Thiophene, 2-methyl- c554143  
952 C5H6S Thiophene, 3-methyl- c616444  
953 C4H6O2 2,3-Butanedione c431038  
954 C4H6O2 2-Propenoic acid, methyl ester c96333  
955 C4H6O2 Crotonic Acid crot  
956 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
957 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
958 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
959 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
960 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
961 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
962 C4H6OS Vinyl sulfoxide c1115157  
963 CH6N4S Carbonothioic dihydrazide thiacarb  
964 C2H6N2O2 (E)-Azodioxymethane c37765154  
965 C2H6N2O2 Dimethylnitroamine c4164287  
966 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
967 C2H6O3S Sulfurous acid, dimethyl ester c616422  
968 C4H7NO 2-Pyrrolidinone c616455  
969 C4H7NO Ethoxyacetonitrile etoaccn  
970 C4H7NO Methacrylamide c79390  
971 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
972 HCONH2CN2H4 formamide aminomethanimine dimer d13  
973 C3H7ONO Propyl nitrite prono  
974 CH3CH(CH3)ONO Isopropyl nitrite c541424  
975 CH3CH(NH2)COOH Alanine alanine  
976 CH3NHCH2COOH Sarcosine sarcosine  
977 NH2CH2CH2COOH β–alanine betaalanine  
978 NH2COOC2H5 Urethane urethane  
979 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
980 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
981 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
982 NH2CONHC2H5 Urea, ethyl- c625525  
983 C4H8O2 1,3-Dioxane dioxan13  
984 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
985 C4H8O2 1,4-Dioxane dioxan14  
986 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
987 C4H8OS s-Ethyl thioacetate c625605  
988 C3H8O3 1,2,3-Propanetriol glycerin  
989 C3H8O2S (Methylsulfonyl)ethane c594434  
990 C4H9NO Butanamide c541355  
991 C4H9NO Propanamide, 2-methyl- c563837  
992 C5H10O 2-Butanone, 3-methyl- c563804  
993 C5H10O 2H-Pyran, tetrahydro- c142687  
994 C5H10O 2-Pentanone mpk  
995 C5H10O Cyclopentanol c96413  
996 C5H10O Oxetane, 3,3-dimethyl- c6921353  
997 C5H10O Pentanal pal  
998 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
999 C5H10S 3-Ethylthio-1-propene c5296628  
1000 C5H10S Cyclopentanethiol c1679078  
1001 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1002 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1003 C4H10O2 1,1-Dimethoxyethane c534156  
1004 C4H10O2 1,3-Butanediol budiol13  
1005 C4H10O2 1,4-Butanediol budiol14  
1006 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1007 C4H10OS Diethyl sulfoxide c70291  
1008 C4H10S2 1,4-Butanedithiol budisl14  
1009 C4H11NO Diethylhydroxylamine c3710847  
1010 C5H12O 1-Butanol, 2-methyl- c137326  
1011 C5H12O 1-Butanol, 3-methyl- c123513  
1012 C5H12O 1-Pentanol pentanol1  
1013 C5H12O 2-Butanol, 3-methyl- c598754  
1014 C5H12O 2-Pentanol peol2  
1015 C5H12O 3-Pentanol pentan3ol  
1016 C5H12O Butane, 1-methoxy- meobu  
1017 C5H12O Propane, 1-ethoxy- proet  
1018 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1019 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1020 C5H12S 1-Butanethiol, 3-methyl- c541311  
1021 C5H12S 1-Pentanethiol c110667  
1022 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1023 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1024 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1025 C5H12S Butane, 1-(methylthio)- c628295  
1026 C5H12S Ethyl propyl sulfide c4110503  
1027 C5H12S Propane, 2-(ethylthio)- c5145993  
1028 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1029 CF3CN Acetonitrile, trifluoro- cf3cn  
1030 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1031 B2F4 Diboron tetrafluoride b2f4  
1032 C2F4 Tetrafluoroethylene c2f4  
1033 C2F4+ Tetrafluoroethylene cation c2f4+  
1034 C2FCl3 fluorotrichloroethene c2fcl3  
1035 C2Cl4 Tetrachloroethylene c2cl4  
1036 AsF5 Arsenic pentafluoride asf5  
1037 PCl5 Phosphorus pentachloride pcl5  
1038 SF5 Sulfur pentafluoride sf5  
1039 SbCl5 Antimony pentachloride sbcl5  
1040 BrF5 bromine pentafluoride brf5  
1041 ClF5 chlorinepentafluoride clf5  
1042 CF3CHO trifluoroacetaldehyde cf3cho  
1043 CCl3CHO trichloroacetaldehyde ccl3cho  
1044 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1045 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1046 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1047 CF3COOH trifluoroacetic acid cf3cooh  
1048 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1049 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1050 C4H8Cl2 1,4-Dichlorobutane c110565  
1051 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1052 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1053 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1054 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1055 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1056 C5H11Cl Pentane, 1-chloro- pencl1  
1057 C6H5CH2 benzyl radical benzyl  
1058 C6H5CH3 toluene toluene  
1059 C7H8 cycloheptatriene cht  
1060 C7H8 Norbornadiene norbor  
1061 C7H8 Quadricyclane qucy  
1062 C7H12 Norbornane nor  
1063 C7H14 cycloheptane c7h14  
1064 C7H16 2-methylhexane 2mhex  
1065 C7H16 3-methylhexane hex3m  
1066 C7H16 heptane heptane  
1067 C6H7N 2-Methylpyridine mp  
1068 C6H5NH2 aniline aniline  
1069 C6H13N 2-Methylpiperidine pip2m  
1070 C6H13N cyclohexanamine cham  
1071 C6H15N triethylamine tea  
1072 N2O5 Dinitrogen pentoxide n2o5  
1073 C4H2O3 Maleic Anhydride malan  
1074 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1075 C6H5O phenoxy radical phenoxy  
1076 C5H5NO 2(1H)-Pyridinone c72762006  
1077 C5H5NO 2(3H)-Pyridinone c9000048  
1078 C5H5NO 2(5H)-Pyridinone c9000037  
1079 C5H5NO 2-Pyridinol c109104  
1080 C5H5NO 3(2H)-Pyridinone c9000004  
1081 C5H5NO 3(4H)-Pyridinone c9000026  
1082 C5H5NO 3(6H)-Pyridinone c9000015  
1083 C5H5NO 3-Pyridinol c109002  
1084 C5H5NO 4(1H)-Pryidinone c9000060  
1085 C5H5NO 4(3H)-Pryidinone c9000059  
1086 C5H5NO 4-Pyridinol c626642  
1087 C6H5OH phenol phenol  
1088 C6H6O 2,4-Cyclohexadienone c24599573  
1089 C6H5SH Benzenethiol phsh  
1090 C4H8O2S Sulfolane sulfolane  
1091 CH(C2H3)3 trivinyl methane tvm  
1092 C6H10O cyclohexanone chexo  
1093 C6H12O hexanal c6h12o  
1094 C3H7OC3H7 di-n-propyl ether propr  
1095 CF3COCl trifluoroacetyl chloride cf3cocl  
1096 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1097 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1098 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1099 CCl3CHCl2 pentachloroethane ccl3chcl2  
1100 C6H5F Fluorobenzene bzf  
1101 C6H5Cl chlorobenzene bzcl  
1102 C6H5Br bromobenzene bzbr  
1103 C8H6 Calicene calicene  
1104 C6H5CCH phenylacetylene phac  
1105 C8H6 benzocyclobutadiene bcbd  
1106 C8H6 Pentalene pentalene  
1107 C6H5CHCH2 Styrene styrene  
1108 C8H8 cyclooctatetraene cot  
1109 C6H5CH2CH3 Ethylbenzene etbz  
1110 CH3C6H4CH3 meta-xylene mxylene  
1111 CH3C6H4CH3 paraxylene pxylene  
1112 C8H16 cyclooctane cyclooct  
1113 C8H18 Octane c8h18  
1114 C6H5CN phenyl cyanide phcn  
1115 C4O4-- squarate dianion c4o4--  
1116 S8 Octasulfur s8  
1117 C6H4O2 parabenzoquinone pbq  
1118 C4H4N2O2 Uracil uracil  
1119 C6H5OCH3 Anisole anisole  
1120 C6H12O2 Methyl pivalate c598981  
1121 C6H12O2 Hexanoic acid hexa  
1122 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1123 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1124 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1125 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1126 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1127 C2F6 hexafluoroethane c2f6  
1128 IF7 Iodine heptafluoride if7  
1129 C6H4F2 metadifluorobenzene mdfb  
1130 C6H4F2 orthodifluorobenzene odfb  
1131 C9H8 Indene indene  
1132 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1133 C9H12 n-propyl benzene prbz  
1134 C5H4N4 purine purine  
1135 C8H7N Indole indole  
1136 C6H5NO2 Nitrobenzene c6h5no2  
1137 C6H5COOH benzoic acid benzo  
1138 CH3COC6H5 acetophenone acph  
1139 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1140 C6H3F3 Benzene trifluoride 123 bzf3a  
1141 C10H16 adamantane adamantane  
1142 C6N4 Tetracyanoethylene tcne  
1143 C6N4- tetracyanoethylene anion tcne-  
1144 C4F6 perfluorobutadiene c4f6  
1145 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1146 C3F8 perfluoropropane c3f8  
1147 Fe(CO)5 Iron pentacarbonyl ipc  
1148 Fe(C5H5)2 ferrocene fecp2  
1149 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1150 C12H8 Acenaphthylene acenaph  
1151 C12H10 biphenyl biphenyl  
1152 C12H10 Heptalene heptalene  
1153 C6F6 hexafluorobenzene c6f6  
1154 C14H10 Anthracene anth  
1155 C14H10 Phenanthrene phenanthrene  
1156 C16H10 Pyrene pyrene  
1157 C18H12 Tetracene tetracene  
1158 C24H12 Coronene coronene