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List of which calculations are completed at CCSD=FULL /cc-pVQZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 2SKh
12 Li- Lithium atom anion 1SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na+ Sodium atom cation 1SKh
16 LiH Lithium Hydride 1ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH+ sodium hydride cation 2ΣC∞v
20 Be Beryllium atom 1SKh
21 Be+ Beryllium atom cation 2SKh
22 Mg Magnesium atom 1SKh
23 Mg+ Magnesium atom cation 2SKh
24 BeH beryllium monohydride 2ΣC∞v
25 MgH magnesium monohydride 2ΣC∞v
26 CaH Calcium monohydride 2ΣC∞v
27 CaH+ Calcium monohydride cation 2ΣC∞v
28 TiH Titanium monohydride 4ΦC∞v
29 ZnH+ Zinc, protonated   
30 BeH2 beryllium dihydride 1ΣgD∞h
31 BeH2+ Beryllium dihydride cation 2ΣC∞v
32 BeH2+ Beryllium dihydride cation 2ΣuD∞h
33 BeH2+ Beryllium dihydride cation   
34 MgH2 magnesium dihydride 1ΣgD∞h
35 B Boron atom 2PKh
36 B Boron atom 4PKh
37 B+ Boron atom cation 1SKh
38 Al Aluminum atom 2PKh
39 Al- Aluminum atom anion 3PKh
40 Al+ Aluminum atom cation 1SKh
41 Sc Scandium atom 2DKh
42 Sc+ Scandium cation 3DKh
43 Ga Gallium atom 2P 
44 Ga- Gallium atom anion 3POh
45 Ga+ Gallium atom cation 1S 
46 BH Boron monohydride 1ΣC∞v
47 BH Boron monohydride 3ΠC∞v
48 BH- boron monohydride anion 4ΣC∞v
49 ScH Scandium monohydride 1ΣC∞v
50 GaH Gallium monohydride 1ΣC∞v
51 GaH+ Gallium monohydride cation 2ΣC∞v
52 BH2- boron dihydride anion 3B1C2v
53 BH2- boron dihydride anion 1A1C2v
54 BH2+ Boron dihydride cation 1ΣgD∞h
55 BH3 boron trihydride 1A1'D3h
56 BH3+ boron trihydride cation 2B2C2v
57 BH3+ boron trihydride cation  C2v
58 AlH3 aluminum trihydride 1A1'D3h
59 AlH3- aluminum trihydride anion  C3v
60 ScH3 Scandium trihydride 1A1'D3h
61 ScH3 Scandium trihydride 1A1C3v
62 GaH3 Gallium trihydride 1A1'D3h
63 BH4 borohydride 2B2C2v
64 BH4- borohydride anion 1A1Td
65 C Carbon atom 3P0Kh
66 C Carbon atom 3P1Kh
67 C- Carbon atom anion 2DKh
68 C+ Carbon atom cation 2PKh
69 Si Silicon atom 3PKh
70 Si Silicon atom 1SKh
71 Si- Silicon atom anion 4SKh
72 Si+ Silicon atom cation 2PKh
73 Ge Germanium atom 3PKh
74 Ge- Germanium anion 4SKh
75 Ge+ Germanium cation 2PKh
76 CH Methylidyne 2Π1/2C∞v
77 SiH Silylidyne 2ΠC∞v
78 SiH- silicon monohydride anion 3ΣC∞v
79 SiH+ silicon monohydride cation 1ΣC∞v
80 GeH germylidene 2ΠC∞v
81 GeH+ Germaniun monohyrdide cation 1ΣC∞v
82 CH2 Methylene 3B1C2v
83 CH2 Methylene 3ΣGD∞h
84 CH2 Methylene 1A1C2v
85 CH2- methylene anion 2B1C2v
86 CH2+ methylene cation 2A1C2v
87 CH2+ methylene cation 2ΠD∞h
88 SiH2 silicon dihydride 1A1C2v
89 SiH2 silicon dihydride 3B1C2v
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 cation 1A1'D3h
97 GeH3 Germyl radical 2A1C3v
98 GeH3+ germyl cation 1A1'D3h
99 CD4 methane-d4 1A1Td
100 CH2D2 methane-d2 1A1C2v
101 CH3D methane-d 1A1C3v
102 CH4 Methane 1A1Td
103 CH4- Methane anion 2A1Td
104 CH4- Methane anion 2A1C3v
105 CHD3 methane-d3 1A1C3v
106 SiH2D2 silane-d2   
107 SiH4 Silane 1A1Td
108 GeH4 Germane 1A1Td
109 SiH5+ Silane, protonated   
110 N Nitrogen atom 4SKh
111 N Nitrogen atom 2DKh
112 N+ Nitrogen atom cation 3PKh
113 P Phosphorus atom 4SKh
114 V Vanadium atom 4FKh
115 V+ Vanadium atom cation 5DKh
116 As Arsenic atomic 4SKh
117 As- Arsenic anion 3PKh
118 As+ Arsenic cation 3PKh
119 PH phosphorus monohydride 3Σ-C∞v
120 AsH Arsenic monohydride 3ΣC∞v
121 AsH Arsenic monohydride 1ΣC∞v
122 AsH+ Arsenic monohydride cation 2ΠC∞v
123 NH2 Amino radical 2B1C2v
124 NH2+ Amino cation 3B1C2v
125 NH2+ Amino cation 1A1C2v
126 AsH2+ Arsenic dihydride cation 1A1C2v
127 NH3 Ammonia 1A1C3v
128 NH3- Ammonia anion 2A1C3v
129 NH3+ ammonia cation 2A2"D3h
130 PH3 Phosphine 1A1C3v
131 PH3+ Phosphine cation 2A1C3v
132 AsH3+ Arsine cation 2A1C3v
133 AsH4+ Arsonium   
134 NH4 Ammonium radical   
135 NH4+ ammonium cation 1A1Td
136 PH4 Phosphoranyl radical   
137 PH4+ phosphonium cation   
138 O Oxygen atom 3SKh
139 O+ Oxygen atom cation 4SKh
140 S Sulfur atom 3PKh
141 S Sulfur atom   
142 S- Sulfur atom anion 2PKh
143 S+ Sulfur atom cation 4SKh
144 Se Selenium atom 3PKh
145 Se- Selenium atom anion 2PKh
146 Se+ Selenium atom cation 4SKh
147 OH Hydroxyl radical 2ΠC∞v
148 OH- hydroxide anion 1ΣC∞v
149 OH+ hydoxyl cation 3ΣC∞v
150 HS Mercapto radical 2ΠC∞v
151 HS- mercapto anion 1ΣC∞v
152 HS+ sulfur monohydride cation 3ΣC∞v
153 CrH+ Chromium hydride cation 5ΣC∞v
154 HSe Selenium monohydride 2ΠC∞v
155 HSe- selenium monohydride anion 1ΣC∞v
156 HSe+ selenium monohydride cation 3ΣC∞v
157 H2O Water 1A1C2v
158 H2O- water anion 2A1C2v
159 H2O- water anion 2A'Cs
160 H2O+ water cation 2B1C2v
161 HDO Water-d1 1A1C2v
162 H2S Hydrogen sulfide 1A1C2v
163 H2S- Hydrogen sulfide anion 2A'Cs
164 H2S+ Hydrogen sulfide cation 2B1C2v
165 H2Se Hydrogen selenide 1A1C2v
166 H2Se+ Hydrogen selenide cation 2B1C2v
167 H3O+ hydronium cation 1A1C3v
168 H3S+ Sulfonium cation 1A1C3v
169 H3Se+ Hydrogen Selenide, protonated 1A1C3v
170 F Fluorine atom 2PKh
171 F- Fluorine atom anion 1SKh
172 F+ Fluorine atom cation 3SKh
173 F+ Fluorine atom cation 1DKh
174 Cl Chlorine atom 2PKh
175 Cl- Chlorine atom anion 1SKh
176 Cl+ Chlorine atom cation 3PKh
177 Cl+ Chlorine atom cation 1DKh
178 Br Bromine atom 2PKh
179 Br- Bromine atom anion 1SKh
180 Br+ Bromine atom cation 3PKh
181 HF Hydrogen fluoride 1ΣC∞v
182 HF- hydrogen fluoride anion 2ΣC∞v
183 HF+ hydrogen fluoride cation 2ΠC∞v
184 HCl Hydrogen chloride 1ΣC∞v
185 HCl- hydrogen chloride anion 2ΣC∞v
186 HCl+ hydrogen chloride cation 2ΠC∞v
187 HBr hydrogen bromide 1ΣC∞v
188 HBr- hydrogen bromide anion 2ΣC∞v
189 HBr+ hydrogen bromide cation 2ΠC∞v
190 H2Cl+ dihydrogen monochloride cation 1A1C2v
191 H2Br+ protonated hydrogen bromide 2A1C2v
192 Ne Neon atom 1SKh
193 Ne Neon atom   
194 Ne+ Neon atom cation 2PKh
195 Ar Argon atom 1SKh
196 Kr Krypton atom 1SKh
197 Kr+ Krypton cation 2PKh
198 HeLi+ Helium Lithium cation   
199 NeH neon hydrogen 2ΣC∞v
200 ArH+ Argon hydride cation 1ΣC∞v
201 KrH+ Protonated Krypton 1ΣC∞v
202 H2Ar H2 Ar dimer 1ΣC∞v
203 Li2 Lithium diatomic 1ΣgD∞v
204 NaLi lithium sodium 1ΣC∞v
205 Na2 Sodium diatomic 1ΣgD∞h
206 Na2- sodium diatomic anion 2ΣuD∞h
207 Na2+ sodium diatomic cation 2ΣgD∞h
208 Be2 Beryllium diatomic 1ΣgD∞h
209 Be2 Beryllium diatomic 3ΠgD∞h
210 BeMg Beryllium Magnesium 1ΣC∞v
211 Mg2 Magnesium diatomic 1ΣgD∞h
212 Ca2 Calcium diatomic 1ΣGD∞h
213 LiB Lithium boride 3ΠC∞v
214 LiAl Lithium Aluminum   
215 NaAl Sodium aluminum 1ΣC∞v
216 BeB Beryllium monoboride 2ΠC∞v
217 B2 Boron diatomic 3ΣgD∞h
218 B2 Boron diatomic 1ΣgD∞h
219 B2 Boron diatomic 5ΣuD∞h
220 B2+ Boron diatomic cation 2ΠD∞h
221 BAl Boron Aluminum 3ΣC∞v
222 BGa Boron Gallium 3ΣC∞v
223 AlGa Aluminum Gallium 3ΣC∞v
224 AlGa Aluminum Gallium 1ΣC∞v
225 Ga2 Gallium diatomic 3Piu 
226 HBBH Diborane(2) 3ΣGD∞h
227 LiBH4 Lithium borohydride 1A1C3v
228 B2H4 Diborane(4) D2d 1A1D2d
229 HBHHBH Diborane(4) C2V 1A1C2v
230 B2H6 Diborane 1AgD2h
231 B2H6+ Diborane cation   
232 Al2H6 dialane 1AGD2h
233 LiC Lithium Carbide 4ΣC∞v
234 BeC Beryllium Carbide 3Σ-C∞v
235 BeC Beryllium Carbide   
236 CaC Calcium monocarbide   
237 BC boron monocarbide 4Σ-C∞v
238 AlC Aluminum carbide 4ΣC∞v
239 BSi Boron silicide 4ΣC∞v
240 BSi Boron silicide 2ΣC∞v
241 C2 Carbon diatomic 1Σg+D∞h
242 C2 Carbon diatomic 3Σg- 
243 C2+ carbon diatomic cation 4ΣgD∞h
244 SiC silicon monocarbide 3ΣC∞v
245 SiC silicon monocarbide 1ΣC∞v
246 GeC Germanium monocarbide 1ΣC∞v
247 SiGe Silicon Germanium   
248 C2H Ethynyl radical 2ΣC∞v
249 C2H- Ethynyl anion 1ΣC∞v
250 C2H2 Acetylene 1ΣgD∞h
251 C2H2+ acetylene cation 2ΠuD∞h
252 C2H2+ acetylene cation   
253 CCH2 vinylidene 3B2C2v
254 H2CC- vinylidene anion   
255 HCCH- acetylene anion   
256 HCCH- acetylene anion   
257 Si2H2 disilyne   
258 Si2H2 disilyne   
259 Si2H2 disilyne   
260 Si2H2 disilyne   
261 CH3Li methyl lithium 1A1C3v
262 CH2BH methyleneborane 1A1C2v
263 C2H3 vinyl 2A'Cs
264 C2H3- vinyl anion 1A'Cs
265 C2H3+ vinyl cation 1A1C2V bridging H
266 C2H3+ vinyl cation 1A1C2V HCCH2
267 C2H4 Ethylene 1AgD2h
268 C2H4+ Ethylene cation 2B3D2
269 Si2H4 Disilene   
270 Si2H4 Disilene   
271 Si2H4 Disilene   
272 CH3BH2 methylborane 1A'Cs
273 C2H5 Ethyl radical 2A'Cs
274 C2H5- Ethyl anion 1A'Cs
275 C2H6 Ethane 1A1gD3d
276 C2H6 Ethane 1A1'D3h
277 Si2H6 disilane 1EuD3d
278 LiN Lithium Nitride 3ΣC∞v
279 LiP Lithium monophosphide   
280 LiP Lithium monophosphide   
281 BeN Beryllium mononitride 4ΣC∞v
282 BeN Beryllium mononitride 2ΠC∞v
283 BeN+ Beryllium mononitride cation 3ΣC∞v
284 BeN+ Beryllium mononitride cation 1ΣC∞v
285 MgN Magnesium Nitride   
286 MgN Magnesium Nitride   
287 BP Boron monophosphide 3ΠC∞v
288 BP Boron monophosphide 1ΣC∞v
289 AlP Aluminum monophosphide 3ΣC∞v
290 AlP Aluminum monophosphide 3ΠC∞v
291 AlP Aluminum monophosphide 1ΣC∞v
292 GaN Gallium mononitride 3ΠC∞v
293 GaN Gallium mononitride 1ΣC∞v
294 GaP Gallium monophosphide 3ΣC∞v
295 GaP Gallium monophosphide 1ΣC∞v
296 GaAs Gallium arsenide 3Π 
297 GaAs Gallium arsenide 1Σ 
298 BN boron nitride 3ΠC∞v
299 BN boron nitride 1ΣC∞v
300 CN Cyano radical 2ΣC∞v
301 CN- cyanide anion 1ΣC∞v
302 SiP Silicon monophosphide 2ΠC∞v
303 N2 Nitrogen diatomic 1ΣgD∞h
304 N2 Nitrogen diatomic   
305 N2- nitrogen diatomic anion 2ΠgD∞h
306 N2+ diatomic nitrogen cation 2ΣgD∞h
307 PN Phosphorus mononitride 1ΣC∞v
308 P2 Phosphorus diatomic 1ΣgD∞h
309 AsN Arsenic mononitride 1ΣC∞v
310 AsP Arsenic monophosphide 1ΣC∞v
311 HCN Hydrogen cyanide 1ΣC∞v
312 HCN+ hydrogen cyanide cation 2ΠC∞v
313 HNC+ hydrogen isocyanide cation   
314 HCP+ Phosphaethyne cation   
315 NNH+ Dinitrogen monohydride cation 1ΣC∞v
316 LiNH2 lithium amide   
317 HBNH Boranimine 1ΣC∞v
318 CNH2 Aminomethylidyne radical 2B2C2v
319 H2CN Dihydrogen cyanide radical 2B2C2v
320 HCNH methyleneazane 2A'CS trans
321 H2NN Isodiazene   
322 N2H2 (E)-diazene 1AgC2h
323 N2H2 (Z)-Diazene 1A1C2v
324 N2H2+ trans-diazene cation 2AGC2h
325 CH2NH Methanimine 1A'Cs
326 CH2NH+ Methanimine cation   
327 CHNH2 aminomethylene   
328 CHNH2+ Aminocarbene cation   
329 CH2PH Phosphaethene 1A'Cs
330 BH2NH2 Boranamine   
331 CH2NH2+ methyleneamine cation 1A1C2v
332 N2H4 Hydrazine 1AC2
333 N2H4+ hydrazine cation 2AGC2h
334 CH3NH2 methyl amine 1A'Cs
335 CH3NH2+ methyl amine cation 2A'Cs
336 SiH3NH2 Silane, amino   
337 N2H5+ protonated hydrazine 1A'Cs
338 BH3PH3 borane phosphine   
339 BH3NH3 borane ammonia 1A1C3v
340 CH3NH3 methyl ammonium radical 2A1C3v
341 CH3PH3+ methyl phosphine, protonated 1A1C3v
342 NH3NH3 Ammonia Dimer 1AgC2h
343 NH3NH3 Ammonia Dimer 1A'Cs
344 N2H7+ ammonia ammonium dimer   
345 LiO lithium oxide 2ΣC∞v
346 LiS Lithium monosulfide 2ΠC∞v
347 LiS+ Lithium sulfide cation 3ΣC∞v
348 NaO sodium monoxide 2ΣC∞v
349 NaS Sodium sulfide 2ΠC∞v
350 LiSe Lithium monoselenide   
351 BeO beryllium oxide 1ΣC∞v
352 BeO+ Beryllium monoxide cation 2ΠC∞v
353 CaO Calcium monoxide 1ΣC∞v
354 BO boron monoxide 2ΣC∞v
355 ScO Scandium monoxide 2ΣC∞v
356 GaO Gallium monoxide 2ΣC∞v
357 GaS Gallium monosulfide   
358 CO Carbon monoxide 1ΣC∞v
359 CO- carbon monoxide anion 2ΠC∞v
360 CO+ carbon monoxide cation 2ΣC∞v
361 SiO Silicon monoxide 1ΣC∞v
362 SiS silicon monosulfide 1ΣC∞v
363 TiO Titanium monoxide 3ΔC∞v
364 CSe Carbon monoselenide 1ΣC∞v
365 GeO Germanium monoxide 1ΣC∞v
366 GeO+ Germanium monoxide cation 2ΣC∞v
367 GeS Germanium monosulfide 1ΣC∞v
368 SiSe Silicon Monoselenide   
369 SiSe+ Silicon Monoselenide cation   
370 GeSe Germanium monoselenide   
371 NO Nitric oxide 2ΠC∞v
372 NO- nitric oxide anion 3ΣC∞v
373 NO+ nitric oxide cation 1ΣC∞v
374 NS Mononitrogen monosulfide 2ΠC∞v
375 NS- nitrogen sulfide anion 3ΣC∞v
376 PO Phosphorus monoxide 2ΠC∞v
377 PS phosphorus sulfide 2ΣC∞v
378 VO Vanadium monoxide 4Σ- 
379 NSe Nitrogen monoselenide 2ΠC∞v
380 AsS Arsenic monosulfide 2ΠC∞v
381 PSe Phosphorus monoselenide 2ΠC∞v
382 AsSe Arsenic monoselenide 2ΠC∞v
383 O2 Oxygen diatomic 3ΣgD∞h
384 O2 Oxygen diatomic 1ΔgD∞h
385 O2- oxygen diatomic anion 2ΠD∞h
386 O2-- dioxygen dianion   
387 O2+ diatomic oxygen cation 2ΠgD∞h
388 SO Sulfur monoxide 3ΣC∞v
389 SO Sulfur monoxide 1ΣC∞v
390 SO+ sulfur monoxide cation 2ΠC∞v
391 S2 Sulfur diatomic 3ΣgD∞h
392 SeO Selenium monoxide 3ΣC∞v
393 Se2 Selenium diatomic 3ΣgD∞h
394 LiOH lithium hydroxide 1ΣC∞v
395 BeOH beryllium monohydroxide 2A'Cs
396 BeOH beryllium monohydroxide 2ΣC∞v
397 HBO Boron hydride oxide 1ΣC∞v
398 HBS hydrogen boron sulfide 1ΣC∞v
399 COH Hydroxymethylidyne   
400 COH+ Carbon Monoxide, protonated 1ΣC∞v
401 HCO Formyl radical 2A'Cs
402 HCO- formyl anion 1A'Cs
403 HCO+ Formyl cation 1ΣC∞v
404 HNO Nitrosyl hydride 1A'Cs
405 HNO+ Nitrosyl hydride cation 2A'Cs
406 NOH Hydroxyimidogen 3A"Cs
407 NOH+ O-protonated nitric oxide 2A'Cs
408 HO2 Hydroperoxy radical 2A"Cs
409 HO2+ Hydroperoxy cation 3A"Cs
410 HSO+ Sulfur Monoxide, S-protonated   
411 SOH Sulfur Hydroxide   
412 SOH+ Sulfur Monoxide, protonated   
413 HS2 Thiosulfeno radical 2A"Cs
414 H2CO Formaldehyde 1A1C2v
415 H2CO- formaldehyde anion 2A'Cs
416 H2CO- formaldehyde anion   
417 H2CO+ formaldehyde cation 2B2C2v
418 HOCH hydroxycarbene 1A'CS trans
419 HOCH hydroxycarbene 1A'CS cis
420 H2CS Thioformaldehyde 1A1C2v
421 H2CS- thioformaldehyde anion   
422 H2CS- thioformaldehyde anion   
423 H2CS+ thioformaldehyde cation 2B2C2v
424 H2CSe Selenoformaldehyde   
425 H2NO nitroxide 2B1C2v
426 H2NO nitroxide 2A'Cs
427 H2O2 Hydrogen peroxide 1AC2
428 H2O2 Hydrogen peroxide 1AgC2h
429 H2O2+ Hydrogen peroxide cation 2BgC2h
430 H2O2+ Hydrogen peroxide cation 2A1C2v
431 H2OO water oxide   
432 HOSH hydrogen thioperoxide   
433 H2S2 Disulfane 1AC2
434 H2S2+ hydrogen disulfide cation 2BgC2h
435 H2Se2 hydrogen diselenide   
436 CH2OH Hydroxymethyl radical 2AC1
437 CH2OH+ hydroxymethyl cation 1A'Cs
438 CH3O- methoxy anion 1A1C3v
439 CH3O+ Methoxy cation 3A1C3v
440 H2CSH+ Thioformaldehyde, protonated 1A'Cs
441 NH2OH hydroxylamine 1A'Cs
442 NH2OH+ Hydroxylamine cation   
443 NH3O Ammonia Oxide 1A1C3v
444 H2POH Phosphinous acid 1A1'CS trans
445 H2POH Phosphinous acid 1A1'CS cis
446 H3PO Phosphine oxide 1A1C3v
447 CH3OH Methyl alcohol 1A'Cs
448 CH3OH- Methyl alcohol anion 2A'Cs
449 CH3OH- Methyl alcohol anion 2A'CS eclipsed
450 CH3OH+ Methyl alcohol cation 2A"Cs
451 CH3SH Methanethiol 1A'Cs
452 CH3SH+ Methanethiol cation 2A"Cs
453 SiH3OH silanol   
454 NH2OH2+ protonated hydroxylamine   
455 NH3OH+ N-protonated hydroxylamine   
456 H2OH2O water dimer 1A'Cs
457 H5O2+ Dihydroxonium ion 1AC2
458 LiF lithium fluoride 1ΣC∞v
459 LiCl lithium chloride 1ΣC∞v
460 NaF sodium fluoride 1ΣC∞v
461 NaF+ sodium fluoride cation 2ΣC∞v
462 NaCl Sodium Chloride 1ΣC∞v
463 LiBr Lithium Bromide 1ΣC∞v
464 LiF+ lithium fluoride cation 2ΠC∞v
465 BeF- Beryllium monofluoride anion 1ΣC∞v
466 MgF+ magnesium fluoride cation 1ΣC∞v
467 ZnF Zinc monofluoride 2ΣC∞v
468 CaBr Calcium monobromide   
469 BF Boron monofluoride 1ΣC∞v
470 AlF Aluminum monofluoride 1Σ+C∞v
471 AlCl Aluminum monochloride 1ΣC∞v
472 ScF Scandium monofluoride 1ΣC∞v
473 BBr Boron monobromide 1ΣC∞v
474 GaF Gallium monofluoride 1ΣC∞v
475 GaF+ Gallium monofluoride cation 2ΣC∞v
476 AlBr Aluminum monobromide   
477 GaCl Gallium monochloride 1ΣGC∞v
478 GaCl+ Gallium monochloride cation 2ΣC∞v
479 GaBr Gallium monobromide   
480 CF Fluoromethylidyne 2ΠC∞v
481 SiF silicon monofluoride 2ΠC∞v
482 SiF- silicon monofluoride anion 3ΣC∞v
483 SiF+ silicon monofluoride cation 1ΣC∞v
484 SiCl Clorosilylidyne 2ΠC∞v
485 CBr Carbon monobromide 2ΠC∞v
486 GeF Germanium monofluoride 2ΠC∞v
487 GeF+ Germanium monofluoride cation 1ΣC∞v
488 GeCl Germanium monochloride 2ΠC∞v
489 GeCl+ Germanium monochloride cation   
490 SiBr Silicon monobromide 2ΠC∞v
491 SiBr+ Silicon monobromide cation   
492 NCl nitrogen monochloride 3ΣC∞v
493 AsF Arsenic monofluoride 3ΣC∞v
494 AsF Arsenic monofluoride 1ΔC∞v
495 NBr nitrogen monobromide 3Σ-C∞v
496 AsCl Arsenic monochloride 3ΣC∞v
497 PBr Phosphorus monobromide   
498 FO Oxygen monofluoride 2ΠC∞v
499 ClO Monochlorine monoxide 2ΠC∞v
500 ClO+ chlorine monoxide cation 3ΣC∞v
501 SF Monosulfur monofluoride 2ΠC∞v
502 SF+ sulfur monofluoride cation 3ΣC∞v
503 SCl sulfur monochloride 2ΠC∞v
504 SCl+ sulfur monochloride cation 3ΣgC∞v
505 BrO Bromine monoxide 2ΠC∞v
506 BrO- Bromine monoxide anion 1ΣC∞v
507 BrO+ Bromine monoxide cation   
508 SeF Selenium monofluoride 2ΠC∞v
509 SBr Sulfur monobromide radical   
510 SBr+ Sulfur monobromide cation   
511 SeCl Selenium monochloride 2ΠC∞v
512 SeBr Selenium monobromide   
513 BrCl Bromine monochloride 1ΣC∞v
514 F2 Fluorine diatomic 1ΣgD∞h
515 F2- flourine diatomic anion 2ΣuD∞h
516 F2+ flourine diatomic cation 2ΠgD∞h
517 ClF Chlorine monofluoride 1Σ+C∞v
518 ClF+ clorine monofluoride cation 2ΠC∞v
519 Cl2 Chlorine diatomic 1ΣgD∞h
520 Cl2- chlorine diatomic anion 2ΣuD∞h
521 Cl2+ chlorine diatomic cation 2ΠgD∞h
522 BrF Bromine monofluoride 1ΣC∞v
523 Br2 Bromine diatomic 1ΣgD∞h
524 Br2- bromine diatomic anion 2ΣuD∞h
525 Br2+ bromine diatomic cation 2ΠgD∞h
526 HCF Fluoromethylene 1A'Cs
527 HCF Fluoromethylene 3A"Cs
528 HCCl Chloromethylene 1A'Cs
529 HCCl Chloromethylene 3A"Cs
530 HSiF fluorosilylene   
531 HSiCl Chlorosilylene   
532 HSiBr monobromosilylene   
533 HOF Hypofluorous acid 1A'Cs
534 HOCl hypochlorous acid 1A'Cs
535 HOCl+ hypochlorous acid cation   
536 HOBr Hypobromous acid 1A'Cs
537 HOBr+ Hypobromous acid cation 2A"Cs
538 F2H+ Fluorine, protonated 1A'Cs
539 ClFH+ Chlorine fluoride, F-protonated   
540 FClH+ Chlorine fluoride, Cl-protonated   
541 Cl2H+ Chlorine, protonated 1A'Cs
542 CH2Br bromomethyl radical   
543 CH2F fluoromethyl radical 2ACs
544 CH2F+ fluoromethyl cation   
545 CH2Cl+ chloromethyl cation   
546 CH2Cl chloromethyl radical 2A'Cs
547 CH2Cl chloromethyl radical 2B1C2v
548 NH2Cl chloramine 1A'Cs
549 CH3F+ methyl fluoride cation   
550 CD3F methylfluoride-d3 1A1C3v
551 CH3F Methyl fluoride 1A1C3v
552 CD3Cl methyl chloride d3 1A1C3v
553 CH3Cl Methyl chloride 1A1C3v
554 SiH3F monofluorosilane 1A1C3v
555 SiH3Cl chlorosilane 1A1C1
556 CH3Br methyl bromide 1A1C3v
557 GeH3F monofluorogermane   
558 GeH3Cl monochlorogermane   
559 NH3Cl+ protonated monochloroammonia   
560 CH3ClH+ methyl chloride, protonated   
561 NH4Cl Ammonium chloride   
562 LiNe+ Lithium Neon cation   
563 Ne2+ Neon diatomic cation 2ΣuD∞h
564 Ar2 Argon diatomic 1SgD∞h
565 Ar2+ Argon diatomic cation 2ΣuD∞h
566 Li3 Lithium trimer 2B2C2v
567 Li3+ Lithium trimer cation 1A1'D3h
568 C3 carbon trimer 1ΣgD∞h
569 C3 carbon trimer 1A1C2v
570 SiC2 Silicon dicarbide   
571 C3H4 cyclopropene 1A1C2v
572 CH2CCH2 allene 1A1D2d
573 CH3CCH propyne 1A'C3v
574 C3H5 Allyl radical 2A2C2v
575 CH2CHCH3 Propene 1A'Cs
576 C3H7 n-Propyl radical 2A"C1
577 CH3CHCH3+ Isopropyl cation 1AC2
578 Si3H8 trisilane   
579 LiCN lithium cyanide 1ΣC*V LiCN
580 LiCN lithium cyanide 1A'Cs
581 LiCN lithium cyanide 1ΣC*V LiNC
582 NaCN Sodium Cyanide 1ΣC∞v
583 NaCN Sodium Cyanide 1ACs
584 NaCN Sodium Cyanide 1ΣC∞v
585 ZnCN Zinc monocyanide 2ΣC∞v
586 ZnNC Zinc isocyanide 2ΣC∞v
587 AlCN Aluminum monocyanide   
588 AlNC Aluminum isocyanide   
589 CN2 3H-Diazirin-3-ylidene 1A1C2v
590 CNN Diazocarbene   
591 NCN Cyanoimidogen 3ΣgD∞h
592 NCN Cyanoimidogen 1ΣgD∞h
593 N3 azide radical 2ΠgD∞h
594 N3+ azide cation 3ΣgD∞h
595 N3+ azide cation 3ΣC∞v
596 HN3 hydrogen azide 1A'Cs
597 HN3+ Hydrazoic acid cation   
598 HNCNH diiminomethane 1AC2
599 HNNNH+ 1,2-Triazadienium   
600 NH2NN+ hydrazoic acid, protonated   
601 CH3CN Acetonitrile 1A1C3v
602 HCNCH2+ 2H-Azirine cation   
603 HNCNH2+ diiminomethane, protonated 1A'Cs
604 NH2CNH+ cyanamide, cn protonated   
605 NH3CN+ cyanamide, amine protonated   
606 C2H6N+ aziridine, protonated 1A1C2v
607 CH3CH2NH2 Ethylamine   
608 Li2O dilithium oxide 1ΣgD∞h
609 Li2S dilithium sulfide 1ΣGD∞h
610 Li2S dilithium sulfide 1A1C2v
611 Na2O disodium monoxide 1ΣgLinear
612 Na2O disodium monoxide 1A1C2v
613 Na2S Sodium sulfide   
614 Na2S Sodium sulfide   
615 LiO2 Lithium dioxide   
616 NaO2 Sodium superoxide   
617 CCO Dicarbon monoxide 3ΣC∞v
618 CCO Dicarbon monoxide 1ΠC∞v
619 NCO isocyanato radical 2ΠC∞v
620 N2O Nitrous oxide 1ΣC∞v
621 N2O- Nitrous oxide anion 2A'Cs
622 NNS Nitrogen sulfide 1ΣC∞v
623 CO2 Carbon dioxide 1ΣgD∞h
624 CO2+ Carbon dioxide cation 2ΠC∞v
625 OCS Carbonyl sulfide 1ΣC∞v
626 CS2 Carbon disulfide 1ΣgD∞h
627 CS2- Carbon disulfide anion 2A1C2v
628 TiO2 Titanium dioxide 1A1C2v
629 GeO2 Germanium dioxide 1ΣgD∞h
630 OCSe Carbonyl selenide 1ΣC∞v
631 SCSe Carbon sulfide selenide   
632 GeS2 Germanium disulfide 1ΣGD∞h
633 NO2 Nitrogen dioxide 2A1C2v
634 NO2+ Nitrogen dioxide cation 1ΣGD∞h
635 NSO sulfinyl amidogen   
636 SNO Nitrogen oxide sulfide   
637 O3 Ozone 1A1Cs
638 SO2 Sulfur dioxide 1A1C2v
639 SSO Disulfur monoxide 1A'Cs
640 S3 Sulfur trimer 1A1C2v
641 S3 Sulfur trimer   
642 S3+ Sulfur trimer cation 2B2C2v
643 SeO2 Selenium dioxide 1A1C2v
644 SeO2+ Selenium dioxide cation 2A1C2v
645 HCCO ketenyl radical 2ΠC∞v
646 HCCO ketenyl radical 2A"Cs
647 HCNO fulminic acid 1ΣC∞v
648 HCOO formate neutral radical 2A'Cs
649 HOCO Hydrocarboxyl radical 1A'cis
650 HOCO Hydrocarboxyl radical 1A'trans
651 O3H+ protonated ozone 1A'Cs
652 O3H+ protonated ozone   
653 C2H2O Oxirene 1A1C2v
654 CH2CO Ketene 1A1C2v
655 CH2CS Thioketene   
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 H2O3 Hydrogen trioxide 1AC2
663 CH2BOH hydroxy(methylene)borane 1A'Cs
664 BH3CO Borane carbonyl 1A1C3v
665 CH3BO Borane, methyloxo- 1A1C3v
666 CH2COH+ ketene, protonated   
667 CHONH2 formamide 1A'Planar
668 CHONH2 formamide 1ANon-Planar
669 CNOH3 1,2-oxaziridine 1AC1
670 HOCHNH hydroxymethylimine 1A'CS H all up
671 HOCHNH hydroxymethylimine 1A'CS OH down
672 NHCHSH Methanimidothioic acid   
673 C2H4O Ethylene oxide 1A1C2v
674 C2H4O+ ethylene oxide cation   
675 CH3CHO Acetaldehyde 1A'Cs
676 CH3CHO+ acetaldehyde cation   
677 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
678 C2H4S Thiirane 1A1C2v
679 CH2CHSH Ethenethiol   
680 H2CONH2+ protonated formamide 1A'Cs
681 NH2CHOH+ Formamide, O-protonated   
682 CH3SSH Hydrogen methyl disulfide   
683 HSCH2SH Methanedithiol   
684 C2H4OH+ ethylene oxide, protonated 1A'Cs
685 CH3CH2SH ethanethiol 1A'Cs
686 CH3SCH3 Dimethyl sulfide 1A1C2v
687 CH3SCH3+ dimethyl sulfide cation   
688 CNF iso cyanogen fluoride 1ΣC∞v
689 BrCN Cyanogen bromide 1ΣC∞v
690 FBO Boron monofluoride monoxide   
691 MgF2 Magnesium fluoride 1ΣgD∞h
692 BeBr2 Beryllium bromide   
693 FCO Carbonyl fluoride 2A'Cs
694 FCO+ Carbonyl fluoride cation 1ΣC∞v
695 ClCO carbonyl monochloride 2A'Cs
696 BF2 Boron difluoride radical 2A1C2v
697 FNO Nitrosyl fluoride 1A'Cs
698 ClNO Nitrosyl chloride 1A'Cs
699 FNS Thionitrosyl fluoride 1A'Cs
700 FSN Thiazyl fluoride 1A'Cs
701 OPCl Phosphorus oxychloride   
702 CF2 Difluoromethylene 1A1D∞h
703 CFCl chlorofluoromethylene 1A'Cs
704 SiF2 Silicon difluoride 1A1C2v
705 GeF2 Germanium difluoride 1A1C2v
706 GeCl2 Germanium dichloride 1A1C2v
707 FOO+ Fluorine dioxide cation   
708 OClO Chlorine dioxide 2B1D∞h
709 OClO- Chlorine dioxide anion 1A'Cs
710 ClSO Sulfur chloride oxide 2A"Cs
711 BrOO Bromine dioxide   
712 OBrO Bromine dioxide radical 2B1C2v
713 PF2 Phosphorus difluoride   
714 PF2+ Phosphorus difluoride cation   
715 FClO chlorosyl fluoride 1A'Cs
716 ClOF Chlorine hypofluorite 1A'Cs
717 SF2 sulfur difluoride 1A1C2v
718 SF2- sulfur difluoride anion 2A'Cs
719 SF2- sulfur difluoride anion 2ΠD∞h
720 SCl2 Sulfur dichloride 1A1C2v
721 SeF2 Selenium difluoride   
722 SeCl2 Selenium Dichloride   
723 SBr2 Sulfur dibromide   
724 SeBr2 Selenium dibromide   
725 Br3- tribromide anion   
726 SFCl Sulfur chloride fluoride   
727 HCCF Fluoroacetylene 1ΣC∞v
728 HFCO+ formyl fluoride cation 2A'Cs
729 CHF2 difluoromethyl radical 2ACs
730 CHF2+ difluoromethyl cation   
731 CHFCl Chlorofluoromethyl radical   
732 CHFCl+ Chlorofluoromethyl cation   
733 CHCl2+ dichloromethyl cation   
734 NHF2 difluoramine   
735 NHCl2 dichloroamine   
736 CH2F2 Methane, difluoro- 1A1C2v
737 SiH2F2 difluorosilane   
738 CH2Cl2 Methylene chloride 1A1C2v
739 CH2BrCl Methane, bromochloro- 1A'Cs
740 CH2Br2 dibromomethane 1A1C2v
741 CH3MgBr Methyl Magnesium Bromide   
742 CH2CHF Ethene, fluoro- 1A'Cs
743 CH2FOH fluoromethanol   
744 KrF2 Krypton difluoride 1ΣGD∞h
745 B4H10 Tetraborane(10) 1A1C2v
746 C4 Carbon tetramer 3ΣgD∞h
747 C4 Carbon tetramer   
748 C4H4 Tetrahedrane   
749 C4H6 1-Methylcyclopropene 1AC1
750 CH3CH2CH2CH3 Butane 1AgAnti
751 Li3N trilithium nitride 1A'D3h
752 C2N2 Cyanogen 1ΣgD∞h
753 HCCCN+ Cyanoacetylene cation 2ΠC∞v
754 H2CNCN cyanamide, methylene   
755 HNCCNH Ethenediimine   
756 CH7N3 triaminomethane   
757 C3O Tricarbon monoxide 1ΣC∞v
758 ONNO NO dimer 1Agtrans C2H
759 ONNO NO dimer 1A1cis C2V
760 S2N2 Disulfur dinitride 1AGD2h
761 NO3- nitrate anion 1A1'D3h
762 SO3 Sulfur trioxide 1A1'D3h
763 SO3-- Sulfate dianion   
764 S4 Sulfur tetramer   
765 S4 Sulfur tetramer   
766 S4 Sulfur tetramer   
767 HNO3 Nitric acid 1A'Cs
768 C3H2O Propadienal   
769 C3H2O Propadienal   
770 C2H2O2 Ethanedial 1AgC2h
771 CH3NO2 Methane, nitro- 1A'Cs
772 H3AlO3 Aluminum hydroxide   
773 CH2CHCHO Acrolein 1A'Cs
774 CH2CHCHO Acrolein   
775 CH3COCH2 Acetonyl radical 2A"Cs
776 CH3CH2CHO Propanal 1A'Cs
777 Li2F2 Lithium fluoride dimer   
778 CF2O Carbonic difluoride 1A1C2v
779 CF2O+ Carbonic difluoride cation   
780 Cl2CS Thiophosgene 1A1C2v
781 BF3 Borane, trifluoro- 1A'D3h
782 BF3+ boron trifluoride cation   
783 AlF3 Aluminum trifluoride 1A1'D3h
784 BCl3 Borane, trichloro- 1A1'D3h
785 BCl3+ Boron Trichloride cation   
786 GaF3 Gallium trifluoride 1A1'D3h
787 CF2Cl difluorochloromethyl radical   
788 CFCl2 dichlorofluoromethyl radical   
789 ClO2F Chloryl fluoride 1A'Cs
790 SSCl2 Thiothionyl chloride   
791 NF3 Nitrogen trifluoride 1A1C3v
792 HClO3 Chloric Acid 1AC1
793 CHF3 Methane, trifluoro- 1A1C3v
794 SiHF3 trifluorosilane   
795 CHBrF2 Methane, bromodifluoro- 1A'Cs
796 AsF3H+ Arsenic trifluoride, protonated   
797 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
798 C2H4F2 1,2-difluoroethane 1AgC2H anti
799 CH2CHCH2F Allyl Fluoride   
800 CH2CHCH2F Allyl Fluoride   
801 CH3CHFCH3 2-Fluoropropane 1A'Cs
802 B5H9 pentaborane9   
803 C5H8 Bicyclo[1.1.1]pentane   
804 C3O2 Carbon suboxide 1ΣGD∞h
805 B2O3 diboron trioxide   
806 B2O3 diboron trioxide   
807 C3H3NO Isoxazole 1A'Cs
808 CF3Cl Methane, chlorotrifluoro- 1A1C3v
809 CF2Cl2 difluorodichloromethane 1A1C2v
810 CHCl2CCH 3,3-dichloropropyne   
811 C3H2O3 vinylene carbonate   
812 C4H6O2 γ–Butyrolactone 1AC1
813 C3H6O3 1,3,5-Trioxane 1A1C1
814 PF5 Phosphorus pentafluoride 1A1'D3h
815 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
816 C7H7 cycloheptatrienyl radical 2A2C2v
817 C6H12O Oxepane   
818 SF6 Sulfur Hexafluoride 1A1GOh

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Na- Sodium atom anion na-  
11 K Potassium atom k  
12 K- Potassium atom anion k-  
13 K+ Potassium atom cation k+  
14 Cu Copper atom cu  
15 Cu- Copper atom anion cu-  
16 Cu+ Copper atom cation cu+  
17 LiH- lithium hydride anion lih-  
18 NaH- sodium hydride anion nah-  
19 KH Potassium hydride kh  
20 KH+ Potassium hydrogen cation kh+  
21 CuH Copper monohydride cuh  
22 Be- Beryllium atom anion be-  
23 Mg- Magnesium atom anion mg-  
24 Ca Calcium atom ca  
25 Ca- Calcium atom anion ca-  
26 Ca+ Calcium atom cation ca+  
27 Zn Zinc atom zn  
28 Zn- Zinc atom anion zn-  
29 Zn+ Zinc atom cation zn+  
30 BeH- berylium monohydride anion beh-  
31 BeH+ beryllium monohydride cation beh+  
32 MgH- magnesium monohydride anion mgh-  
33 MgH+ magnesium monohydride cation mgh+  
34 ZnH Zinc monohydride znh  
35 CaH2 Calcium Hydride cah2  
36 ZnH2 Zinc hydride znh2  
37 B- Boron atom anion b-  
38 BH- boron monohydride anion bh-  
39 BH+ boron monohydride cation bh+  
40 AlH aluminum monohydride alh  
41 AlH- aluminum monohydride anion alh-  
42 AlH+ aluminum monohydride cation alh+  
43 ScH+ Scandium monohydride cation sch+  
44 BH2 boron dihydride bh2  
45 AlH2 aluminum dihydride alh2  
46 AlH2- aluminum dihydride anion alh2-  
47 AlH2+ aluminum dihydride cation alh2+  
48 BH3- boron trihydride anion bh3-  
49 AlH3+ aluminum trihydride cation alh3+  
50 AlH4- Aluminum tetrahydride anion alh4-  
51 C- Carbon atom anion c-  
52 Ti Titanium atom ti  
53 Ti- Titanium atom anion ti-  
54 Ti+ Titanium atom cation ti+  
55 Sn Tin atom sn  
56 Sn+ Tin cation sn+  
57 CH- methylidyne anion ch-  
58 CH+ Methylidyne cation ch+  
59 SiH2- silicon dihydride anion sih2-  
60 SiH2+ silicon dihydride cation sih2+  
61 SiH3- Silyl anion sih3-  
62 CH4+ Methane cation ch4+  
63 SiH4+ Silane cation sih4+  
64 SnH4 Stannane snh4  
65 N- Nitrogen atom anion n-  
66 P- Phosphorus atom anion p-  
67 P+ Phosphorus atom cation p+  
68 Sb Antimony atom sb  
69 NH Imidogen nh  
70 NH- Imidogen anion nh-  
71 NH+ imidogen cation nh+  
72 PH- phosphorus monohydride anion ph-  
73 PH+ phosphorus monohydride cation ph+  
74 SbH Antimony monohydride sbh  
75 ND2 Amidogen-d2 nd2  
76 NH2- amino anion nh2-  
77 PH2 Phosphino radical ph2  
78 PH2- Phosphino anion ph2-  
79 PH2+ Phosphino cation ph2+  
80 AsH2 Arsenic dihydride ash2  
81 ND3 Ammonia-d3 nd3  
82 AsH3 Arsine ash3  
83 SbH3 Stibine sbh3  
84 O- Oxygen atom anion o-  
85 Cr Chromium atom cr  
86 Te Tellurium atom te  
87 Te+ Tellurium atom cation te+  
88 DO Hydroxyl-d od  
89 DS Mercapto-d ds  
90 TeH Telluryl radical teh  
91 D2O Deuterium oxide d2o  
92 D2S Hydrogen sulfide-d2 d2s  
93 H2Te Hydrogen Telluride h2te  
94 Mn Manganese atom mn  
95 I Iodine atom iodine  
96 I- Iodine atom anion iodine-  
97 I+ Iodine atom cation iodine+  
98 DF Hydrofluoric acid-d df  
99 DCl Hydrochloric acid-d dcl  
100 HI Hydrogen iodide hi  
101 HI+ Hydrogen iodide cation hi+  
102 H2F+ dihydrogen fluoride cation h2f+  
103 H2I+ Iodonium h2i+  
104 Ne- Neon atom anion ne-  
105 Ar- Argon atom anion ar-  
106 Ar+ Argon atom cation ar+  
107 Fe Iron atom fe  
108 Xe Xenon atom xe  
109 NeH+ neon hydrogen cation neh+  
110 XeH+ Xenon, protonated xeh+  
111 Co Cobalt atom cobalt  
112 Ni Nickel atom ni  
113 Li2- lithium diatomic anion li2-  
114 NaLi- lithium sodium anion lina-  
115 NaLi+ lithium sodium cation lina+  
116 LiK Lithium Potassium lik  
117 NaK Sodium Potassium nak  
118 NaK+ Sodium Potassium diatomic cation nak+  
119 K2 Potassium diatomic k2  
120 Cu2 Copper diatomic cu2  
121 LiBe Lithium Beryllium libe  
122 LiMg Lithium magnesium limg  
123 NaBe Sodium Beryllium nabe  
124 NaMg Sodium Magnesium namg  
125 Be2- Beryllium diatomic anion be2-  
126 Be2+ Beryllium diatomic cation be2+  
127 Mg2- magnesium diatomic anion mg2-  
128 Mg2+ magnesium diatomic cation mg2+  
129 B2- Boron diatomic anion b2-  
130 Al2 Aluminum diatomic al2  
131 Al2- aluminum diatomic anion al2-  
132 Al2+ aluminum diatomic cation al2+  
133 Ga2H6 digallane ga2h6  
134 BC- boron monocarbide anion bc-  
135 BC+ boron monocarbide cation bc+  
136 C2- carbon diatomic anion c2-  
137 SiC- silicon monocarbide anion sic-  
138 SiC+ silicon monocarbide cation sic+  
139 Si2 Silicon diatomic si2  
140 Si2- silcon diatomic anion si2-  
141 Si2+ silcon diatomic cation si2+  
142 Ge2 Germanium diatomic ge2  
143 C2H+ Ethynyl cation c2h+  
144 ZnCH2 Zinc methylene znch2  
145 CCH2 vinylidene vinylidene  
146 CuCH3 monomethyl copper cuch3  
147 ZnCH3 Zinc monomethyl znch3  
148 C2H4- Ethylene anion c2h4-  
149 CH3CH methylmethylene ch3ch  
150 CH2SiH2 silaethylene ch2sih2  
151 C2H5+ Ethyl cation c2h5+  
152 C2H6+ ethane cation c2h6+  
153 CH3SiH3 methyl silane ch3sih3  
154 GeH3CH3 methyl germane geh3ch3  
155 C2H7+ Ethane, protonated c2h7+  
156 LiN+ Lithium Nitride cation lin+  
157 BeN- Beryllium mononitride anion ben-  
158 BN- boron nitride anion bn-  
159 AlN- aluminum mononitride anion aln-  
160 AlN+ aluminum mononitride cation aln+  
161 BN+ boron nitride cation bn+  
162 AlN Aluminum nitride aln  
163 CN+ Cyano cation cn+  
164 CP Carbon monophosphide cp  
165 CP- carbon monophosphide anion cp-  
166 CP+ carbon monophosphide cation cp+  
167 SiN Silicon nitride sin  
168 SiN- silicon mononitride anion sin-  
169 SiN+ silicon mononitride cation sin+  
170 SiP- Silicon monophosphide anion sip-  
171 SiP+ Silicon monophosphide cation sip+  
172 TiN Titanium mononitride tin  
173 PN- phosphorus nitride anion pn-  
174 PN+ phosphorus nitride cation pn+  
175 P2- phosphorus diatomic anion p2-  
176 P2+ phosphorus diatomic cation p2+  
177 SbN Antimony nitride sbn  
178 As2 Arsenic diatomic as2  
179 HNB hydrogen nitrogen boron hnb  
180 HNC hydrogen isocyanide hnc  
181 HCN- Hydrogen cyanide anion hcn-  
182 HCP Phosphaethyne hcp  
183 NNH Dinitrogen monohydride nnh  
184 HPO Hydrogen phosphorus oxide hpo  
185 HPO+ Hydrogen phosphorus oxide cation hpo+  
186 CNH2+ N-protonated hydrogen isocyanide cnh2+  
187 H2CN+ hydrocyanonium cation h2cn+  
188 HCNH+ N-protonated HCN hcnh+  
189 P2H4 Diphosphine p2h4  
190 CH3PH2 Methyl phosphine ch3ph2  
191 CH3NH3+ protonated methylamine ch3nh3+  
192 LiO- lithium oxide anion lio-  
193 LiO+ lithium oxide cation lio+  
194 NaO- sodium oxide anion nao-  
195 NaO+ sodium oxide cation nao+  
196 KO Potassium monoxide ko  
197 KO+ Potassium monoxide cation ko+  
198 CuO Copper Monoxide cuo  
199 BeO- Beryllium monoxide anion beo-  
200 BeS beryllium sulfide bes  
201 MgO magnesium oxide mgo  
202 MgO- magnesium oxide anion mgo-  
203 MgO+ magnesium oxide cation mgo+  
204 MgS magnesium sulfide mgs  
205 MgS- magnesium sulfide anion mgs-  
206 MgS+ magnesium sulfide cation mgs+  
207 CaS Calcium sulfide cas  
208 ZnO zinc monoxide zno  
209 ZnS Zinc sulfide zns  
210 BeS- Beryllium monosulfide anion bes-  
211 BeS+ Beryllium monosulfide cation bes+  
212 BO- boron monoxide anion bo-  
213 AlO Aluminum monoxide alo  
214 AlO- Aluminum monoxide anion alo-  
215 AlO+ aluminum monoxide cation alo+  
216 BS boron sulfide bs  
217 BS- boron monosulfide anion bs-  
218 BS+ boron monosulfide cation bs+  
219 AlS Aluminum sulfide als  
220 AlS- aluminum monosulfide anion als-  
221 AlS+ aluminum monosulfide cation als+  
222 BO+ boron monoxide cation bo+  
223 CS carbon monosulfide cs  
224 CS- carbon monosulfide anion cs-  
225 CS+ carbon monosulfide cation cs+  
226 SiO- silicon monoxide anion sio-  
227 SiO+ silicon monoxide cation sio+  
228 SiS- silicon monosulfide anion sis-  
229 SiS+ silicon monosulfide cation sis+  
230 CSe- Carbon monoselenide anion cse-  
231 CSe+ Carbon monoselenide cation cse+  
232 NS+ nitrogen sulfide cation ns+  
233 PO- phosphorus monoxide anion po-  
234 PO+ phosphorus monoxide cation po+  
235 PS- phosphorus monosulfide anion ps-  
236 PS+ phosphorus monosulfide cation ps+  
237 AsO Arsenic monoxide aso  
238 SO- sulfur monoxide anion so-  
239 S2- sulfur diatomic anion s2-  
240 S2+ sulfur diatomic cation s2+  
241 SeO- selenium monoxide anion seo-  
242 SeO+ selenium monoxide cation seo+  
243 SeS Selenium monosulfide ses  
244 SeS- selenium monosulfide anion ses-  
245 SeS+ selenium monosulfide cation ses+  
246 TeO Tellurium monoxide teo  
247 Se2- selenium diatomic anion se2-  
248 Se2+ selenium diatomic cation se2+  
249 Te2 Tellurium diatomic te2  
250 NaOH sodium hydroxide naoh  
251 KOH Potassium hydroxide koh  
252 MgOH magnesium hydroxide mgoh  
253 CaOH Calcium monohydroxide caoh  
254 HCS Thioformyl radical hcs  
255 HCS- Thioformyl anion hcs-  
256 HCS+ Thioformyl cation hcs+  
257 HNO- Nitrosyl hydride anion hno-  
258 HNS Sulfur imide hns  
259 HNS- Sulfur imide anion hns-  
260 HO2- Hydroperoxy anion ho2-  
261 CH3O Methoxy radical ch3o  
262 CH3S thiomethoxy ch3s  
263 NH2SH Thiohydroxylamine nh2sh  
264 NH3S sulfidoazane nh3s  
265 H3O2+ hydrogen peroxide, protonated h3o2+  
266 CH3SeH Methane selenol ch3seh  
267 CH3OH2+ Methanol, protonated ch3oh2+  
268 CH3SH2+ protonated methylsulfide ch3sh2+  
269 H2ONH3 Water Ammonia Dimer h2onh3  
270 LiCl- lithium chloride anion licl-  
271 LiCl+ lithium chloride cation licl+  
272 NaF- sodium fluoride anion naf-  
273 KF Potassium Fluoride kf  
274 NaCl- sodium chloride anion nacl-  
275 NaCl+ sodium chloride cation nacl+  
276 KCl Potassium Chloride kcl  
277 CuF Copper monofluoride cuf  
278 LiBr- lithium bromide anion libr-  
279 LiBr+ lithium bromide cation libr+  
280 CuCl Copper monochloride cucl  
281 NaBr Sodium Bromide nabr  
282 NaBr- sodium bromide anion nabr-  
283 NaBr+ sodium bromide cation nabr+  
284 KBr Potassium Bromide kbr  
285 LiI Lithium Iodide lii  
286 NaI Sodium Iodide nai  
287 KI Potassium Iodide ki  
288 LiF- lithium fluoride anion lif-  
289 BeF Beryllium monofluoride bef  
290 BeF+ Beryllium monofluoride cation bef+  
291 BeCl beryllium monochloride becl  
292 MgF Magnesium monofluoride mgf  
293 MgF- magnesium fluoride anion mgf-  
294 CaF Calcium monofluoride caf  
295 MgCl magnesium monochloride mgcl  
296 MgCl- magnesium monochloride anion mgcl-  
297 MgCl+ magnesium monochloride cation mgcl+  
298 CaCl calcium monochloride cacl  
299 TiCl Titanium Monochloride ticl  
300 ZnF- Zinc monofluoride anion znf-  
301 ZnF+ Zinc monofluoride cation znf+  
302 ZnCl Zinc monochloride zncl  
303 BeCl- beryllium monochloride anion becl-  
304 BeCl+ beryllium monochloride cation becl+  
305 BF- Boron monofluoride anion bf-  
306 BF+ Boron monofluoride cation bf+  
307 AlF- Aluminum monofluoride anion alf-  
308 AlF+ Aluminum monofluoride cation alf+  
309 BCl boron monochloride bcl  
310 BCl- boron monochloride anion bcl-  
311 BCl+ boron monochloride cation bcl+  
312 AlCl- aluminum monochloride anion alcl-  
313 AlCl+ aluminum monochloride cation alcl+  
314 AlI Aluminum monoiodide ali  
315 CF- carbon monofluoride anion cf-  
316 CF+ carbon monofluoride cation cf+  
317 CCl carbon monochloride ccl  
318 CCl- carbon monochloride anion ccl-  
319 CCl+ carbon monochloride cation ccl+  
320 SiCl- silicon monochloride anion sicl-  
321 SiCl+ silicon monochloride cation sicl+  
322 NF nitrogen fluoride nf  
323 NF- nitrogen monofluorine anion nf-  
324 NF+ nitrogen monofluoirde cation nf+  
325 NCl- nitrogen monochloride anion ncl-  
326 NCl+ nitrogen monochloride cation ncl+  
327 PF phosphorus monofluoride pf  
328 PF- phosphorus monofluoride anion pf-  
329 PF+ phosphorus monofluoride cation pf+  
330 PCl phosphorus chloride pcl  
331 PCl- phosphorus monochloride anion pcl-  
332 PCl+ phosphorus monochloride cation pcl+  
333 SbF Antimony monofluoride sbf  
334 SbCl Antimony monochloride sbcl  
335 FO- flourine oxide anion fo-  
336 FO+ fluorine monoxide cation fo+  
337 ClO- chlorine monoxide anion clo-  
338 SF- sulfur monofluoride anion sf-  
339 SCl- sulfur monochloride anion scl-  
340 IO Iodine monoxide io  
341 ClF- clorine monofluoride anion clf-  
342 BrF- bromine fluoride anion brf-  
343 BrF+ bromine fluoride cation brf+  
344 BrCl- bromine chloride anion brcl-  
345 BrCl+ bromine chloride cation brcl+  
346 IF Iodine monofluoride if  
347 ICl Iodine monochloride icl  
348 IBr Iodine monobromide ibr  
349 I2 Iodine diatomic i2  
350 I2+ Iodine diatomic cation i2+  
351 CHBr bromomethylene chbr  
352 DOCl Hypochlorous acid-d docl  
353 HOI Hypoiodous acid hoi  
354 FHF Hydrogen difluoride fhf  
355 FHF- Hydrogen difluoride anion fhf-  
356 NH2F monofluoroamine nh2f  
357 H2F2 Hydrogen fluoride dimer h2f2  
358 CH3Cl+ Methyl chloride cation ch3cl+  
359 SiH3Br bromosilane sih3br  
360 CH3I methyl iodide ch3i  
361 SiH3I Silyl Iodide sih3i  
362 Ne2 Neon diatomic ne2  
363 C3+ carbon trimer cation c3+  
364 C3H3 cyclopropenyl radical cpr  
365 C3H3 Propargyl radical propargyl  
366 C3H3- Propargyl anion c3h3-  
367 C3H3+ cyclopropenyl cation cpr+  
368 C3H3+ Propargyl cation c3h3+  
369 C3H5+ Allyl cation allyl+  
370 CH3CHCH 1-propenyl radical ch3chch  
371 Zn(CH3)2 dimethyl zinc dmz  
372 C3H6 Cyclopropane c3h6  
373 C3H7+ cyclopropane, protonated c3h7+  
374 CH3CHCH3 Isopropyl radical isopropyl  
375 C3H8 Propane propane  
376 SiH2(CH3)2 dimethylsilane dms  
377 KCN Potassium cyanide kcn  
378 CuCN Copper cyanide cucn  
379 N3- azide anion n3-  
380 HCCN cyanomethylene hccn  
381 HCNN diazomethyl radical hcnn  
382 CH2N2 diazirine ch2n2  
383 CH2NN diazomethane ch2nn  
384 NH2CN cyanamide cyanamide  
385 CH3CN- acetonitrile anion ch3cn-  
386 CH3CN+ Acetonitrile cation ch3cn+  
387 CH3NC methyl isocyanide ch3nc  
388 CHNCH2 2H-Azirine c157164  
389 CHNHCH 1H-Azirine chnhch  
390 H2CCNH Ethenimine ch2cnh  
391 H2CNCH methyleneaminomethylene ch2nch  
392 HCCNH2 Ethynamine hccnh2  
393 NCNH3+ Cyanamide, protonated ncnh3+  
394 CH2CHNH vinylazine ch2chnh  
395 CH3CHN methylmethaniminyl radical ch3chn  
396 NHCHNH2 aminomethanimine cn2h4  
397 C2H5N Aziridine c2h5n  
398 CH2CHNH2 aminoethene aminoethene  
399 CH2NCH3 N-methylmethanimine nmm  
400 CH3CHNH ethanimine ethanimine  
401 NH2BHNH2 diaminoborane nh2bhnh2  
402 C2H5NH+ Protonated Aziridine c2h5nh+  
403 NH2CH2NH2 diaminomethane nh2ch2nh2  
404 CH3NHCH3 Dimethylamine ch3nhch3  
405 CH3PHCH3 dimethylphosphine ch3phch3  
406 NH2CH2NH3+ diaminoethane, protonated pdam  
407 (CH3)2NH2+ dimethylammonium cation dmam  
408 CH3CH2NH3+ ethylamine, protonated pea  
409 Li2O+ dilithium oxide cation li2o+  
410 CNO- fulminate cno-  
411 NCO- cyanate nco-  
412 SCN thiocyanato radical scn  
413 SCN- thiocyanide anion scn-  
414 BO2 Boron dioxide bo2  
415 BO2- Boron dioxide anion bo2-  
416 BO2+ Boron dioxide cation bo2+  
417 N2O+ Nitrous oxide cation n2o+  
418 PPO Phosphorus oxide phosphide ppo  
419 CO2- Carbon dioxide anion co2-  
420 OCS+ Carbonyl sulfide cation cos+  
421 SiO2 silicon dioxide sio2  
422 CS2+ Carbon disulfide cation cs2+  
423 SiS2 Silicon disulfide sis2  
424 CSe2 Carbon diselenide cse2  
425 SCTe Carbon sulfide Telluride scte  
426 NO2- Nitrogen dioxide anion no2-  
427 PO2 Phosphorus dioxide po2  
428 PO2- Phosphorus dioxide anion po2-  
429 PO2+ Phosphorus dioxide cation po2+  
430 AsO2 Aresenic dioxide aso2  
431 O3- Ozone anion o3-  
432 O3+ Ozone cation o3+  
433 SO2- Sulfur dioxide anion so2-  
434 SO2+ Sulfur dioxide cation so2+  
435 S3- Sulfur trimer anion s3-  
436 TeO2 Tellurium Dioxide teo2  
437 CS2H+ Carbon disulfide, protonated cs2h+  
438 HNCO Isocyanic acid hnco  
439 HOCN cyanic acid hocn  
440 HNCS Isothiocyanic acid hncs  
441 HSCN thiocyanic acid hscn  
442 HCO2- formate anion hco2-  
443 HNNO nitrosoazane hnno  
444 HNNO+ Nitrous oxide, N-protonated hnno+  
445 NNOH+ Nitrous Oxide, O-protonated nnoh+  
446 HOCO+ Hydrocarboxyl cation hoco+  
447 HNO2 Nitrous acid hno2  
448 HNO2+ nitrous acid cation hno2+  
449 SO2H+ protonated sulfur dioxide so2h+  
450 CH2CO+ Ketene cation ch2co+  
451 HCCOH ethynol hccoh  
452 Mg(OH)2 Magnesium dihydroxide h2mgo2  
453 CH2O2 Dioxirane diox  
454 HSSSH trisulfane hsssh  
455 NaOCH3 Sodium methoxide naoch3  
456 CH2CHO Vinyloxy radical ch2cho  
457 CH3CO Acetyl radical ch3co  
458 CH3CO- Acetyl anion ch3co-  
459 CH3CO+ acetyl cation ch3co+  
460 CH2NOH formaldoxime ch2noh  
461 CH3NO nitrosomethane ch3no  
462 CHSNH2 thioformamide chsnh2  
463 CH2OOH CH2OOH radical ch2ooh  
464 CH3OO methylperoxy radical ch3oo  
465 CH3OO- methylperoxy anion ch3oo-  
466 CH3OO+ methylperoxy cation ch3oo+  
467 CH2CHOH ethenol ch2choh  
468 CH3CHS Thioacetaldehyde ch3chs  
469 NH3CHO+ Formamide, N-Protonated nh3cho+  
470 CH2(OH)2 methanediol ch2o2h2  
471 CH3OOH Methyl peroxide ch3ooh  
472 H2OH2CO water formaldehyde dimer h2oh2co  
473 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
474 CH3CH2O Ethoxy radical ethoxy  
475 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
476 CH3CHOH+ acetaldehyde, protonated ch3choh+  
477 CH3OCH2 methoxymethyl radical ch3och2  
478 NH2CH2OH aminomethanol nh2ch2oh  
479 CH3CH2OH Ethanol etoh  
480 CH3OCH3 Dimethyl ether meome  
481 CH3SeCH3 dimethylselenide dmse  
482 CH3OHH2O methanol water dimer ch3ohh2o  
483 H2OCH3OH water methanol dimer h2och3oh  
484 CuF2 Copper difluoride cuf2  
485 ZnF2 Zinc difluoride znf2  
486 FCN Cyanogen fluoride fcn  
487 ClCN chlorocyanogen clcn  
488 ICN Cyanogen iodide icn  
489 BeF2 Beryllium fluoride bef2  
490 BeCl2 Beryllium chloride becl2  
491 MgCl2 Magnesium dichloride mgcl2  
492 CaCl2 Calcium Chloride cacl2  
493 ZnCl2 Zinc dichloride zncl2  
494 CaBr2 Calcium dibromide cabr2  
495 CaF2 Calcium difluoride caf2  
496 BrNO Nitrosyl bromide brno  
497 INO Nitrosyl iodide ino  
498 CF2- Difluoromethylene anion cf2-  
499 CF2+ Difluoromethylene cation cf2+  
500 SiF2+ Silicon difluoride cation sif2+  
501 CCl2 dichloromethylene ccl2  
502 CCl2- dichloromethylene anion ccl2-  
503 CCl2+ dichloromethylene cation ccl2+  
504 SiCl2 Dichlorosilylene sicl2  
505 CBr2 dibromomethylene cbr2  
506 FOO Dioxygen monofluoride radical foo  
507 ClOO chloroperoxy radical cloo  
508 ClOO+ chloroperoxy cation cloo+  
509 OClO+ Chlorine dioxide cation oclo+  
510 ClS2 Sulfur chloride cls2  
511 NF2 Difluoroamino radical nf2  
512 NF2+ Difluoroamino cation nf2+  
513 F2O Difluorine monoxide f2o  
514 SF2+ sulfur difluoride cation sf2+  
515 Cl2O Dichlorine monoxide cl2o  
516 BrOCl Bromine hypochlorite brocl  
517 BrOBr Bromine oxide brobr  
518 F3- trifluoride anion f3-  
519 Cl3- trichloride anion cl3-  
520 I3- triiodide i3-  
521 HCCF+ fluoroacetylene cation hccf+  
522 HCCCl Chloroacetylene hcccl  
523 HCCBr bromoacetylene hccbr  
524 HFCO formyl fluoride hfco  
525 COHCl Formyl chloride cohcl  
526 COHBr Formyl bromide cohbr  
527 BHF2 Difluoroborane bhf2  
528 BHCl2 Borane, dichloro- bhcl2  
529 CHCl2 dichloromethyl radical chcl2  
530 CHBr2 dibromomethyl radical chbr2  
531 HOClO Chlorous acid hoclo  
532 CH2FCl fluorochloromethane ch2fcl  
533 CH2BrF Methane, bromofluoro- ch2fbr  
534 CH2FI fluoroiodomethane ch2fi  
535 CH2ClI chloroiodomethane ch2cli  
536 CH2BrI bromoiodomethane ch2bri  
537 CH2I2 Diiodomethane ch2i2  
538 SiH2Cl2 dichlorosilane sih2cl2  
539 CH2CHF+ fluoroethene cation ch2chf+  
540 C2H3Cl Ethene, chloro- ch2chcl  
541 C2H3Br vinyl bromide c2h3br  
542 C2H3I Vinyl iodide c2h3i  
543 CH3OCl methyl hypochlorite ch3ocl  
544 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
545 CHClCH3 1-chloroethyl radical chclch3  
546 C2H5F fluoroethane c2h5f  
547 CH3CH2Cl Ethyl chloride c2h5cl  
548 CH3SiFH2 fluoromethylsilane ch3sifh2  
549 C2H5Br Ethyl bromide etbr  
550 C2H5I Ethyl iodide c2h5i  
551 XeF2 Xenon difluoride xef2  
552 C4+ Carbon tetramer cation c4+  
553 C4H2 Diacetylene c4h2  
554 C4H2+ diacetlyene cation c4h2+  
555 C2H3CCH 1-Buten-3-yne c2h3cch  
556 C4H4 cyclobutadiene cbd  
557 H2CCCCH2 Butatriene h2cccch2  
558 C4H6 Cyclobutene c822355  
559 C4H6 Methylenecyclopropane c6142730  
560 CH2CCHCH3 1,2-Butadiene butad12  
561 CH2CHCHCH2 1,3-Butadiene c106990  
562 CH3CCCH3 2-Butyne c503173  
563 CHCCH2CH3 1-Butyne c107006  
564 CH3CHCHCH2 methylallyl radical c4h7  
565 C4H8 methylcyclopropane mcp  
566 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
567 CH2CHCH2CH3 1-Butene bute1  
568 CH3CHCHCH3 2-Butene, (E)- bute2e  
569 CH3CHCHCH3 2-Butene, (Z)- bute2z  
570 B(CH3)3 trimethylborane bme3  
571 Al(CH3)3 trimethyl aluminum tma  
572 C(CH3)3 Tert-butyl radical tbutyl  
573 CH2CH(CH3)2 Isobutyl radical isobutyl  
574 CH3CHCH2CH3 2-Butyl radical butyl2  
575 CH3CH(CH3)CH3 Isobutane isobutane  
576 SiH(CH3)3 trimethylsilane trimsi  
577 C2N2+ Cyanogen cation c2n2+  
578 P4 Phosphorus tetramer p4  
579 As4 Arsenic tetramer as4  
580 HCCCN Cyanoacetylene hcccn  
581 C3H3N acrylonitrile ch2chcn  
582 C3H3N+ acrylonitrile cation ch2chcn+  
583 CH3N3 methyl azide ch3n3  
584 NH2CCNH2 Diaminoacetylene daa  
585 NH2CH2CN Aminoacetonitrile aan  
586 CH3NHN2+ methyl azide, protonated ch3nhn2+  
587 C2H5CN ethyl cyanide c2h5cn  
588 CH5N3 Guanidine guanidine  
589 C4H6 Bicyclo[1.1.0]butane c157335  
590 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
591 H2NCHCHNH2 diaminoethylene dae  
592 CH6N3+ guanidinium ch6n3+  
593 C3H7N Cyclopropylamine cpram  
594 C3H7N Azetidine azet  
595 C4H8 cyclobutane cbutane  
596 C2H8N2 Ethylenediamine ethdiam  
597 CH3NHNHCH3 dimethyl hydrazine dmh  
598 CH3CH(NH2)CH3 2-Propanamine pram2  
599 N(CH3)3 Trimethylamine trimeam  
600 NH2CH2CH2CH3 1-Propanamine pram1  
601 P(CH3)3 trimethylphosphine tmp  
602 N(SiH3)3 trisilylamine tsa  
603 As(CH3)3 trimethyl arsine tmas  
604 (CH3)3NH+ protonated trimethyl amine ptma  
605 C3H7NH3+ n-propylamine, protonated c3h7nh2  
606 Li2O2 dilithium dioxide li2o2  
607 K2O2 dipotassium dioxide k2o2  
608 B2O2 Diboron dioxide b2o2  
609 CO3 Carbon trioxide co3  
610 CO3-- carbonate co3--  
611 CS3-- Carbonotrithioate cs3--  
612 NO3 Nitrogen trioxide no3  
613 NO3+ nitrogen trioxide cation no3+  
614 SO3- Sulfur trioxide anion so3-  
615 SO3+ Sulfur trioxide cation so3+  
616 SeO3 selenium trioxide seo3  
617 TeO3 Tellurium trioxide teo3  
618 HCO3- bicarbonate anion hco3-  
619 HSO3 Hydroxysulfonyl radical hso3  
620 NH2NO2 nitramide nh2no2  
621 C2H2CO cyclopropenone c2h2co  
622 HCCCHO 2-propynal hcccho  
623 C2H2O2+ Ethanedial cation c2h2o2+  
624 H2CO3 Carbonic acid h2co3  
625 H2CS3 thiocarbonic acid h2cs3  
626 H2NO3+ Nitric Acid, Protonated h2no3+  
627 H2SO3 Sulfurous acid h2so3  
628 C2H3NO Nitrosoethylene c2h3no  
629 CH3NCO methylisocyante ch3nco  
630 HOCH2CN cyanomethanol hoch2cn  
631 CH3COO- acetate anion ch3coo-  
632 CH3ONO Methyl nitrite ch3ono  
633 NH2COOH Carbamic acid nh2cooh  
634 H3BO3 Boric acid h3bo3  
635 H3CO3+ carbonic acid, protonated h3co3+  
636 C3H4O 2-Propyn-1-ol c107197  
637 C3H4O allenol c9000071  
638 C3H4O Cyclopropanone cpone  
639 C3H4O Methylketene c6004440  
640 NH2CONH2 Urea urea  
641 NH2CONH2+ Urea cation urea+  
642 NH2CSNH2 Thiourea thiourea  
643 C2H4O2 1,3-dioxetane c2h4o2  
644 CH3COOH Acetic acid ch3cooh  
645 CH3OCHO methyl formate ch3ocho  
646 CHOCH2OH hydroxy acetaldehyde haa  
647 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
648 NH3COOH+ protonated Carbamic acid nh3cooh+  
649 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
650 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
651 HCOOHH2O Formic acid water dimer hcoohh2o  
652 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
653 CH2C(OH)NH2 1-amino vinyl alchohol ava  
654 CH3C(OH)=NH Ethaninidic acid eia  
655 CH3CHNOH Acetaldoxime acetaldoxime  
656 CH3CONH2 Acetamide acetamide  
657 HCONHCH3 N-methylformamide nmfa  
658 CH3CSNH2 Ethanethioamide ch3csnh2  
659 CH5N2O+ urea, N-protonated ch4n2o+  
660 H2NCOHNH2+ urea, protonated ureah+  
661 C2H5OO ethylperoxy radical c2h5oo  
662 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
663 C3H5OH Cyclopropanol cproh  
664 C3H6O 2-Propen-1-ol c107186  
665 C3H6O Acetone enol enol  
666 C3H6O Oxetane oxetane  
667 C3H6O Propylene oxide prox  
668 CH3COCH3 Acetone acetone  
669 CH3COCH3- acetone anion ch3coch3-  
670 C3H6S Thietane thietane  
671 C3H6S Thiirane, methyl- methiirane  
672 CH3CSCH3 Thioacetone ch3csch3  
673 C2H6O2 1,2-Ethanediol ethdiol  
674 CH3OOCH3 dimethylperoxide dmp  
675 CH3SOCH3 Dimethyl sulfoxide dmso  
676 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
677 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
678 CH3COHCH3+ acetone, protonated acetoneh+  
679 HOCH2CH2NH2 monoethanolamine mea  
680 C3H7OH 1-Propanol proh  
681 CH3CHOHCH3 Isopropyl alcohol isoproh  
682 CH3OC2H5 Ethane, methoxy- etome  
683 C3H7SH 1-Propanethiol prsh  
684 CH3CHSHCH3 2-Propanethiol isoprsh  
685 CH3SCH2CH3 Ethane, (methylthio)- etsme  
686 H2OCH3OCH3 water dimethylether dimer h2och3och3  
687 Na2F2 Sodium Fluoride Dimer na2f2  
688 Na2Cl2 Disodium dichloride na2cl2  
689 C2F2 difluoroacetylene c2f2  
690 C2Cl2 dichloroacetylene c2cl2  
691 C2Cl2+ dichloroacetylene cation c2cl2+  
692 FNO2 Nitryl fluoride fno2  
693 FONO Nitrosyl hypofluorite fono  
694 ClNO2 Nitryl chloride clno2  
695 ClONO chlorine nitrite clono  
696 BrONO Bromine nitrite brono  
697 N2F2 (Z)-Difluorodiazene n2f2_z  
698 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
699 COFCl Carbonic chloride fluoride cofcl  
700 CCl2O Phosgene cl2co  
701 COBr2 Carbonic dibromide cobr2  
702 BF3- Borane, trifluoro- anion bf3-  
703 BClF2 Chlorodifluoroborane bclf2  
704 AlF2Cl Aluminum chloride difluoride alclf2  
705 ScF3 Scandium trifluoride ScF3  
706 AlFCl2 Aluminum dichloride fluoride alcl2f  
707 AlCl3 Aluminum trichloride alcl3  
708 GaCl3 Gallium trichloride gacl3  
709 BBr3 Boron tribromide bbr3  
710 AlBr3 Aluminum Bromide albr3  
711 ClO3 Chlorine trioxide clo3  
712 ClO3- chlorate anion clo3-  
713 BrO3- Bromate anion bro3-  
714 CF3 Trifluoromethyl radical cf3  
715 CF3- Trifluoromethyl anion cf3-  
716 CF3+ Trifluoromethyl cation cf3+  
717 SiF3 Silicon trifluoride radical sif3  
718 SiF3+ Silicon trifluoride cation sif3+  
719 CCl3 Trichloromethyl radical ccl3  
720 CCl3- Trichloromethyl anion ccl3-  
721 CCl3+ Trichloromethyl cation ccl3+  
722 SiCl3 trichlorosilyl radical sicl3  
723 SiCl3+ trichlorosilyl cation sicl3+  
724 CBr3 tribromomethyl radical cbr3  
725 FOOF Perfluoroperoxide foof  
726 F2SO Thionyl Fluoride f2so  
727 ClOOCl Dichlorine dioxide cloocl  
728 FSSF Difluorodisulfane fssf  
729 S2F2 Thio-thionyl fluoride s2f2  
730 SOCl2 thionyl chloride socl2  
731 SeOCl2 selenium oxychloride seocl2  
732 NF3- Nitrogen trifluoride anion nf3-  
733 NF3+ Nitrogen trifluoride cation nf3+  
734 PF3 Phosphorus trifluoride pf3  
735 NCl3 nitrogen trichloride ncl3  
736 AsF3 Arsenic trifluoride asf3  
737 PCl3 Phosphorus trichloride pcl3  
738 SbF3 Antimony Trifluoride sbf3  
739 AsCl3 Arsenous trichloride ascl3  
740 SbCl3 Antimony Trichloride sbcl3  
741 NBr3 Nitrogen Tribromide nbr3  
742 PBr3 Phosphorus tribromide pbr3  
743 AsBr3 Arsenic tribromide asbr3  
744 NI3 Nitrogen triiodide ni3  
745 PI3 Phosphorus triiodide pi3  
746 ClSSCl Disulfur dichloride s2cl2  
747 SF3 Sulfur trifluoride sf3  
748 ClF3 Chlorine trifluoride clf3  
749 BrF3 Bromine trifluoride brf3  
750 IF3 iodone trifluoride if3  
751 CHF2Cl difluorochloromethane chf2cl  
752 CHFCl2 fluorodichloromethane chfcl2  
753 CDCl3 trichloromethane-d cdcl3  
754 CHCl3 Chloroform chcl3  
755 SiHCl3 Trichlorosilane sihcl3  
756 CHFClBr fluorochlorobromomethane chfclbr  
757 CHBrCl2 Methane, bromodichloro- chbrcl2  
758 CHF2I difluoroiodomethane chf2i  
759 CHBr2F dibromofluoromethane chbr2f  
760 CHFClI fluorochloroiodomethane chfcli  
761 CHCl2I dichloroiodomethane chcl2i  
762 CHClBr2 Methane, dibromochloro- chclbr2  
763 CHBr3 bromoform chbr3  
764 CHI3 Iodoform chi3  
765 NF3H+ protonated nitrogen trifluoride nf3h+  
766 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
767 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
768 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
769 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
770 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
771 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
772 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
773 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
774 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
775 C2H2Br2 1,1-dibromoethene c2h2br2  
776 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
777 CH2FCHO Fluoroacetaldehyde ch2fcho  
778 CH3COF Acetyl fluoride ch3cof  
779 CH2ClCHO chloroacetaldehyde ch2clcho  
780 CH3COCl Acetyl Chloride ch3cocl  
781 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
782 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
783 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
784 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
785 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
786 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
787 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
788 CH2CFCH3 2-fluoropropene 2fpro  
789 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
790 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
791 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
792 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
793 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
794 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
795 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
796 CH2FCH2CH3 1-Fluoropropane prf1  
797 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
798 CH3CHClCH3 Propane, 2-chloro- prcl2  
799 CH3CH2CH2Br n-propyl bromide prbr  
800 CH3CHBrCH3 i-propyl bromide iprbr  
801 C3H9O+ trimethyl oxonium cation c3h9o+  
802 C5H4 pentatetraene ptrene  
803 C5H5 cyclopentadienyl radical c5h5  
804 C5H5- cylopentadienyl anion c5h5-  
805 C5H6 1,3-Cyclopentadiene c542927  
806 C5H6 1-Buten-3-yne, 2-methyl- c78808  
807 C5H6 3-Penten-1-yne, (E)- c2004695  
808 C5H6 3-Penten-1-yne, (Z)- c1574409  
809 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
810 C5H6 Cyclopropylacetylene c6746947  
811 C5H6 Propellane propellane  
812 C5H7 1,3-pentadienyl radical pdyl  
813 C5H7 cyclopentenyl radical cpyl  
814 C5H8 1,2-Butadiene, 3-methyl- c598254  
815 C5H8 1,2-Pentadiene c591957  
816 C5H8 1,3-Butadiene, 2-methyl- c78795  
817 C5H8 1,3-Pentadiene, (E)- c2004708  
818 C5H8 1,3-Pentadiene, (Z)- c1574410  
819 C5H8 1,4-Pentadiene c591935  
820 C5H8 1-pentyne a1pentyne  
821 C5H8 2,3-Pentadiene c591968  
822 C5H8 Cyclobutane, methylene- c1120565  
823 C5H8 Cyclopentene c142290  
824 C5H8 Ethenylcyclopropane c693867  
825 CH3CCCH2CH3 2-Pentyne 2pentyne  
826 C5H10 1-Butene, 2-methyl- c563462  
827 C5H10 2-Butene, 2-methyl- c513359  
828 C5H10 2-Pentene, (E)- c646048  
829 C5H10 2-Pentene, (Z)- c627203  
830 C5H10 Cyclopentane c287923  
831 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
832 CH2CHCH2CH2CH3 1-pentene pentene  
833 C5H11 2-Methylbut-2-yl radical c4348350  
834 C5H12 Butane, 2-methyl- buta2  
835 C5H12 Pentane pentane  
836 C5H12 Propane, 2,2-dimethyl- neopentane  
837 Si(CH3)4 tetramethylsilane tms  
838 N2O3 Dinitrogen trioxide n2o3  
839 C3H2N2 Malononitrile c3h2n2  
840 CH2N4 1H-Tetrazole 1htz  
841 C3H3N2 imidazolyl radical im  
842 C3H3N2- imidizolyl anion im-  
843 C2H3N3 1H-1,2,4-Triazole c288880  
844 C4H4N pyrrolide radical c4h4n  
845 C4H4N- pyrrolide anion c4h4n-  
846 C3H4N2 1H-Imidazole 1himidaz  
847 C3H4N2 1H-Pyrazole 1hpyraz  
848 C3H4N2 2H-Imidazole imid2h  
849 C3H4N2 4H-Imidazole imid4h  
850 C4H5N (E)-2-Butenenitrile c627269  
851 C4H5N (Z)-2-Butenenitrile c1190767  
852 C4H5N 2H-pyrrole pyrrole2  
853 C4H5N 3H-pyrrole pyrrole3  
854 C4H5N Cyclopropanecarbonitrile c5500210  
855 C4H5N Pyrrole pyrrole  
856 CH2CHCH2CN Allylcyanide ch2chch2cn  
857 C4H6N+ pyrrole, alpha-protonated appyr  
858 C4H6N+ pyrrole, beta-protonated bppyr  
859 C4H6N+ pyrrole, protonated ppyr  
860 C3H6N2 3-Aminopropionitrile c151188  
861 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
862 CH3CH2CH2CN Butanenitrile c109740  
863 C5H8 Bicyclo[2.1.0]pentane c185944  
864 C5H8 Spiropentane c157404  
865 C4H9N Cyclobutylamine cbam  
866 C4H9N Pyrrolidine pyrrolidine  
867 C3H10N2 1,2-Diaminopropane diampr12  
868 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
869 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
870 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
871 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
872 NH(C2H5)2 diethylamine dea  
873 NC4H12+ tetramethyl ammonium cation nc4h12+  
874 C3O2+ Carbon suboxide cation c3o2+  
875 MgCO3 Magnesium Carbonate mgco3  
876 BeCO3 Beryllium Carbonate beco3  
877 CaCO3 Calcium Carbonate caco3  
878 ONONO Nitrosyl nitrite onono  
879 PO4--- phosphate po4---  
880 SO4-- sulfate so4--  
881 HOONO2 peroxy nitric acid hoono2  
882 HSO4- bisulfate anion hso4-  
883 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
884 C3H2O2 Propiolic acid c3h2o2  
885 CHOCOOH oxo acetic acid oaa  
886 CHOOCHO diformyl ether choocho  
887 H2SO4 Sulfuric acid h2so4  
888 H2SeO4 Selenic acid h2seo4  
889 C3H3NO Oxazole oxazole  
890 C3H3NS Thiazole thiazole  
891 CH3C(O)OO acetyl peroxy radical ch3coo2  
892 CH3NO3 Methyl nitrate ch3no3  
893 H3PO4 Phosphoric Acid h3po4  
894 C4H4O Furan furan  
895 C4H4O+ Furan cation furan+  
896 CH3COCCH 3-butyn-2-one c1423605  
897 C4H4S Thiophene furans  
898 C4H4Se selenophene c4h4se  
899 C3H4O2 β–Propiolactone beta  
900 C3H4O2 2-Propenoic acid propenoic2  
901 C3H4O2 Methyl glyoxal megly  
902 C3H4O2 propanedial propanedial  
903 C3H4O2 propenalol propenalol  
904 HOCHCCHOH allenediol aldiol  
905 C2H4O3 1,2,3-trioxolane c2h4o3  
906 C2H4O3 trioxolane124 triox  
907 HOCH2COOH Hydroxyacetic acid hac  
908 CH2CHCONH2 Acrylamide c79061  
909 CH3OCH2CN Methoxyacetonitrile c1738369  
910 CH5N3S Hydrazinecarbothioamide c79196  
911 H2NCH2COOH Glycine glycine  
912 CH3SO2NH2 methanesulfonamide ch3so2nh2  
913 C4H6O cis-2-butenal butenal2c  
914 C4H6O Cyclobutanone cbutone  
915 C4H6O Furan, 2,3-dihydro- furan23h  
916 C4H6O Furan, 2,5-dihydro- furan25h  
917 CH2CHOCHCH2 Vinyl ether vinylether  
918 CHOCHCHCH3 2-Butenal butenal2  
919 C4H6S Thiophene, 2,3-dihydro- thiop23h  
920 C4H6S Thiophene, 2,5-dihydro- thiop25h  
921 CH2CHSCHCH2 Divinyl sulfide divis  
922 C2H6N2O Urea, methyl- c598505  
923 C3H6O2 1,3-Dioxolane dioxolane  
924 CH3CH2COOH Propanoic Acid propanoic  
925 CH3COOCH3 methyl acetate aame  
926 HCOOC2H5 Ethyl formate faee  
927 C2H6O2S Dimethyl sulfone c67710  
928 CH3SSSCH3 dimethyl trisulfide c2h6s3  
929 C3H7NO dimethylformamide dmf  
930 C3H7NO Propanamide propanam  
931 C2H3OC2H5 Ethene, ethoxy- c109922  
932 C4H8O Cyclobutanol c2919235  
933 C4H8O Furan, tetrahydro- thf  
934 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
935 CH3COCH2CH3 2-Butanone buta2one  
936 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
937 CHOCH2CH2CH3 Butanal butanal  
938 C4H8S Thiophene, tetrahydro- tht  
939 C3H8O2 1,3-Propanediol c504632  
940 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
941 C3H8O2 Methane, dimethoxy- c109875  
942 C3H8O2 Propylene glycol c57556  
943 C3H8S2 1,3-Propanedithiol c109808  
944 C4H10O 1-Butanol butanol1  
945 C4H10O 1-Propanol, 2-methyl- c78831  
946 C4H10O 2-Butanol, (.+/-.)- butanol2  
947 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
948 C4H10O Ethoxy ethane etoet  
949 C4H10O Methyl propyl ether meopr  
950 C4H10O Propane, 2-methoxy- c598538  
951 C4H10O+ 1-Butanol cation butanol1+  
952 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
953 C2H5SC2H5 Diethyl sulfide etset  
954 C4H9SH 1-Butanethiol bush  
955 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
956 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
957 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
958 FNO3 Fluorine nitrate fno3  
959 ClONO2 Chlorine nitrate clono2  
960 BrONO2 Bromine nitrate brono2  
961 TiCl4 Titanium tetrachloride ticl4  
962 ClO4- perchlorate anion clo4-  
963 BF4- tetrafluoroboron anion bf4-  
964 ClFO3 Perchloryl fluoride clfo3  
965 SO2F2 Sulfuryl fluoride so2f2  
966 SO2Cl2 Sulfuryl chloride so2cl2  
967 F3NO Nitrogen trifluoride oxide f3no  
968 F3PO Phosphoryl fluoride pf3o  
969 Cl3PO Phosphoryl chloride pcl3o  
970 CF4 Carbon tetrafluoride cf4  
971 SiF4 Silicon tetrafluoride sif4  
972 TiF4 Titanium tetrafluoride tif4  
973 CFCl3 Trichloromonofluoromethane cfcl3  
974 CF3Br Bromotrifluoromethane cf3br  
975 GeF4 Germanium tetrafluoride gef4  
976 CCl4 Carbon tetrachloride ccl4  
977 CCl4+ Carbon tetrachloride cation ccl4+  
978 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
979 SiCl4 Silane, tetrachloro- sicl4  
980 CBrCl2F bromodichlorofluoromethane cbrcl2f  
981 CF3I trifluoroiodomethane cf3i  
982 CBrCl3 Methane, bromotrichloro- cbrcl3  
983 CBr2F2 Methane, dibromodifluoro- cbr2f2  
984 GeCl4 Germanium Tetrachloride gecl4  
985 CBr2ClF dibromochlorofluoromethane cbr2clf  
986 CBr2Cl2 dibromodichloromethane cbr2cl2  
987 CCl3I trichloroiodomethane ccl3i  
988 CFBr3 fluorotribromomethane cfbr3  
989 CFClBrI fluorochlorobromoiodomethane cfclbri  
990 CBr3Cl tribromochloromethane cbr3cl  
991 CF2I2 difluorodiiodomethane cf2i2  
992 CBr4 Carbon tetrabromide cbr4  
993 CCl2I2 dichlorodiiodomethane ccl2i2  
994 SiBr4 Silicon tetrabromide sibr4  
995 CBr3I tribromoiododmethane cbr3i  
996 GeBr4 Germanium tetrabromide gebr4  
997 CI4 tetraiodomethane ci4  
998 SiI4 silicon tetraiodide sii4  
999 ClOF3 Chlorine trifluoride oxide clof3  
1000 SeF4 Selenium tetrafluoride sef4  
1001 SCl4 Sulfur tetrachloride scl4  
1002 C2HF3 Trifluoroethylene c2hf3  
1003 C2HF3+ Trifluoroethylene cation c2hf3+  
1004 CHClCCl2 Trichloroethylene chclccl2  
1005 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1006 HClO4 perchloric acid hclo4  
1007 HSO3F Fluorosulfonic acid hso3f  
1008 CF3OH trifluoromethanol cf3oh  
1009 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1010 CHClCCHCl 1,3-dichloroallene chclcchcl  
1011 CHCl2CHO dichloroacetaldehyde chcl2cho  
1012 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1013 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1014 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1015 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1016 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1017 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1018 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1019 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1020 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1021 NH3BCl3 Amminetrichloroboron nh3bcl3  
1022 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1023 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1024 C3H5ClO Oxirane, (chloromethyl)- c106898  
1025 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1026 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1027 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1028 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1029 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1030 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1031 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1032 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1033 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1034 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1035 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1036 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1037 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1038 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1039 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1040 C4H9F 1-fluorobutane butaf1  
1041 CH3CHFCH2CH3 2-fluorobutane butaf2  
1042 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1043 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1044 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1045 XeF4 Xenon tetrafluoride xef4  
1046 C2H2N2O Furazan furazan  
1047 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1048 NH3BF3 Amminetrifluoroboron nh3bf3  
1049 C6H2 hexatriyne c6h2  
1050 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1051 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1052 C6H4 Benzyne benzyne  
1053 C6H5 phenyl phenyl  
1054 C6H5- phenyl anion phenyl-  
1055 C6H6 Prismane prismane  
1056 C6H6 1,2,4,5-Hexatetraene ht1245  
1057 C6H6 2,4-Hexadiyne hexadiyne  
1058 C6H6 3,4-Dimethylenecyclobutene cb34m  
1059 C6H6 Benzene benzene  
1060 C6H6 Benzvalene bv  
1061 C6H6 Dewar Benzene dewar  
1062 C6H6 Hexa-1,5-diene-3-yne hdy153  
1063 C6H6 Trimethylenecycopropane tmcp  
1064 C6H6+ Benzene cation c6h6+  
1065 C6H7+ benzene, protonated c6h7+  
1066 C6H8 (E)-hexa-1,3,5-triene c821078  
1067 C6H8 (E)-hexa-2,3,4-triene c59660650  
1068 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1069 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1070 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1071 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1072 C6H8 3-Methylenecyclopentene c930267  
1073 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1074 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1075 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1076 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1077 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1078 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1079 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1080 C6H10 1,5-Hexadiene c592427  
1081 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1082 C6H10 1-Hexyne hexyne1  
1083 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1084 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1085 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1086 C6H10 2-Hexyne c764352  
1087 C6H10 3-Hexyne hexyne3  
1088 C6H10 cyclohexene cyclohexene  
1089 C6H10 Cyclopentene, 1-methyl- c693890  
1090 C6H10 Cyclopentene, 3-methyl- c1120623  
1091 C6H10 Cyclopentene, 4-methyl- c1759815  
1092 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1093 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1094 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1095 C6H12 (E)-2-Hexene e2hexene  
1096 C6H12 (E)-3-methylpent-2-ene c616126  
1097 C6H12 (E)-hex-3-ene e3hexene  
1098 C6H12 (Z)-3-methylpent-2-ene c922623  
1099 C6H12 (Z)-hex-2-ene z2hexene  
1100 C6H12 (Z)-hex-3-ene z3hexene  
1101 C6H12 2,3-dimethylbut-1-ene c563780  
1102 C6H12 2,3-dimethyl-but-2-ene tmeet  
1103 C6H12 3-methylenepentane c760214  
1104 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1105 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1106 C6H12 Cyclohexane cyclohexane  
1107 C6H12 Cyclopentane, methyl- c96377  
1108 C6H12 Ethylcyclobutane c4806615  
1109 C6H12 hex-1-ene hexene1  
1110 C6H14 Butane, 2,2-dimethyl- buta22  
1111 C6H14 Butane, 2,3-dimethyl- buta23  
1112 C6H14 Hexane hexane  
1113 C6H14 Pentane, 2-methyl- penta2  
1114 C6H14 Pentane, 3-methyl- penta3  
1115 C4N2 2-Butynedinitrile c4n2  
1116 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1117 C4H2N2 Fumaronitrile c4h2n2  
1118 C2H2N4 sym-tetrazine ttz  
1119 C3H3N3 1,3,5-Triazine triazine135  
1120 CH3N5 5-Aminotetrazole c4418615  
1121 C4H4N2 1,3-Diazine diazine13  
1122 C4H4N2 Pyrazine pyrazine  
1123 C4H4N2 Pyridazine pyridazine  
1124 C4H4N2 Succinonitrile c110612  
1125 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1126 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1127 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1128 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1129 C5H5N E-2,4-pentadienenitrile bdcn  
1130 C5H5N Pyridine pyridine  
1131 B3N3H6 borazine borazine  
1132 C6H6 Fulvene fulvene  
1133 C5H6N+ Pyridinium c5h6n  
1134 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1135 C5H7N (E)-2-Pentenenitrile c26294984  
1136 C5H7N (E)-3-Pentenenitrile c16529661  
1137 C5H7N (Z)-2-Pentenenitrile c25899507  
1138 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1139 C5H7N Cyclobutanecarbonitrile c4426113  
1140 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1141 C5H9N Butanenitrile, 2-methyl- c18936179  
1142 C5H9N Pentanenitrile c110598  
1143 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1144 C6H10 Bicyclo[3.1.0]hexane c285585  
1145 C5H11N Cyclopentanamine cypentam  
1146 C5H11N Piperidine piper  
1147 C4H12N2 1,2-Butanediamine c4426486  
1148 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1149 Li2CO3 Lithium Carbonate li2co3  
1150 Na2CO3 Sodium Carbonate na2co3  
1151 C2O4-- oxalate anion c2o4  
1152 MgSO4 Magnesium Sulfate mgso4  
1153 N2O4 Dinitrogen tetroxide n2o4  
1154 C2H2O4 Oxalic Acid oxalic  
1155 C2H3NO3 Oxamic acid oxamic  
1156 C4H4O2 2(5H)-Furanone furanone  
1157 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1158 C2H4N2O2 Oxalamide oxalamide  
1159 C2H4N2S2 Ethanedithioamide c79403  
1160 C2H4CO3 Ethylene carbonate etco3  
1161 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1162 C3H4S3 1,3-Dithiolane-2-thione c822388  
1163 C2H4O4 Formic acid dimer fadimer  
1164 C4H5NO 3-Methylisoxazole isox3m  
1165 C4H5NO Isoxazole, 5-methyl- c5765446  
1166 C4H5NS 4-Methylthiazole c693958  
1167 C2H5NO3 Nitric acid, ethyl ester c625581  
1168 C5H6O 2H-Pyran pyran2  
1169 C5H6O 2-methylfuran furan2m  
1170 C5H6O 3-Methylfuran furan3m  
1171 C5H6O Pentadienal pdal  
1172 C5H6S Thiophene, 2-methyl- c554143  
1173 C5H6S Thiophene, 3-methyl- c616444  
1174 C4H6O2 2,3-Butanedione c431038  
1175 C4H6O2 2-Propenoic acid, methyl ester c96333  
1176 C4H6O2 Crotonic Acid crot  
1177 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1178 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1179 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1180 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1181 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1182 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1183 C4H6OS Vinyl sulfoxide c1115157  
1184 CH6N4S Carbonothioic dihydrazide thiacarb  
1185 C2H6N2O2 (E)-Azodioxymethane c37765154  
1186 C2H6N2O2 Dimethylnitroamine c4164287  
1187 C3H6S3 1,3,5-Trithiane c3h6s3  
1188 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1189 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1190 C4H7NO 2-Pyrrolidinone c616455  
1191 C4H7NO Ethoxyacetonitrile etoaccn  
1192 C4H7NO Methacrylamide c79390  
1193 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1194 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1195 C3H7ONO Propyl nitrite prono  
1196 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1197 CH3CH(NH2)COOH Alanine alanine  
1198 CH3NHCH2COOH Sarcosine sarcosine  
1199 NH2CH2CH2COOH β–alanine betaalanine  
1200 NH2COOC2H5 Urethane urethane  
1201 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1202 C5H8O Cyclopentanone c120923  
1203 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1204 C5H8O Methyl cyclopropyl ketone c765435  
1205 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1206 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1207 NH2CONHC2H5 Urea, ethyl- c625525  
1208 C4H8O2 1,3-Dioxane dioxan13  
1209 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1210 C4H8O2 1,4-Dioxane dioxan14  
1211 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1212 C4H8O2 Ethyl acetate c141786  
1213 C4H8OS s-Ethyl thioacetate c625605  
1214 C3H8O3 1,2,3-Propanetriol glycerin  
1215 C3H8O2S (Methylsulfonyl)ethane c594434  
1216 C4H9NO Butanamide c541355  
1217 C4H9NO Propanamide, 2-methyl- c563837  
1218 C5H10O 2-Butanone, 3-methyl- c563804  
1219 C5H10O 2H-Pyran, tetrahydro- c142687  
1220 C5H10O 2-methylbutyraldehyde 2meba  
1221 C5H10O 2-Pentanone mpk  
1222 C5H10O 3-Pentanone dek  
1223 C5H10O Cyclopentanol c96413  
1224 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1225 C5H10O Pentanal pal  
1226 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1227 C5H10S 3-Ethylthio-1-propene c5296628  
1228 C5H10S Cyclopentanethiol c1679078  
1229 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1230 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1231 C4H10O2 1,1-Dimethoxyethane c534156  
1232 C4H10O2 1,3-Butanediol budiol13  
1233 C4H10O2 1,4-Butanediol budiol14  
1234 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1235 C4H10OS Diethyl sulfoxide c70291  
1236 C4H10S2 1,4-Butanedithiol budisl14  
1237 C4H11NO Diethylhydroxylamine c3710847  
1238 C5H12O 1-Butanol, 2-methyl- c137326  
1239 C5H12O 1-Butanol, 3-methyl- c123513  
1240 C5H12O 1-Pentanol pentanol1  
1241 C5H12O 2-Butanol, 3-methyl- c598754  
1242 C5H12O 2-Pentanol peol2  
1243 C5H12O 3-Pentanol pentan3ol  
1244 C5H12O Butane, 1-methoxy- meobu  
1245 C5H12O Propane, 1-ethoxy- proet  
1246 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1247 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1248 C5H12S 1-Butanethiol, 3-methyl- c541311  
1249 C5H12S 1-Pentanethiol c110667  
1250 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1251 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1252 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1253 C5H12S Butane, 1-(methylthio)- c628295  
1254 C5H12S Ethyl propyl sulfide c4110503  
1255 C5H12S Propane, 2-(ethylthio)- c5145993  
1256 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1257 C4F2 difluorobutadiyne c4f2  
1258 ClCOClCO Oxalyl chloride oxcl  
1259 CF3CN Acetonitrile, trifluoro- cf3cn  
1260 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1261 B2F4 Diboron tetrafluoride b2f4  
1262 B2Cl4 Diboron tetrachloride b2cl4  
1263 C2F4 Tetrafluoroethylene c2f4  
1264 C2F4+ Tetrafluoroethylene cation c2f4+  
1265 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1266 CF2CCl2 difluorodichloroethylene cf2ccl2  
1267 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1268 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1269 C2FCl3 fluorotrichloroethene c2fcl3  
1270 C2Cl4 Tetrachloroethylene c2cl4  
1271 C2Br4 tetrabromoethene c2br4  
1272 CF3OF Trifluoromethylhypofluorite cf3of  
1273 SiF5- silicon pentafluoride anion sif5-  
1274 SOF4 Sulfur tetrafluoride oxide sof4  
1275 AsF5 Arsenic pentafluoride asf5  
1276 PCl5 Phosphorus pentachloride pcl5  
1277 SF5 Sulfur pentafluoride sf5  
1278 SF5+ pentafluoro sulfur cation sf5+  
1279 SbCl5 Antimony pentachloride sbcl5  
1280 BrF5 bromine pentafluoride brf5  
1281 ClF5 chlorinepentafluoride clf5  
1282 IF5 pentafluoroiodine if5  
1283 CF3CHO trifluoroacetaldehyde cf3cho  
1284 CCl3CHO trichloroacetaldehyde ccl3cho  
1285 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1286 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1287 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1288 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1289 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1290 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1291 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1292 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1293 CF3COOH trifluoroacetic acid cf3cooh  
1294 C4H3ClO Furan, 2-chloro fur2cl  
1295 C4H3ClO Furan,3-chloro fur3cl  
1296 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1297 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1298 C4H8Cl2 1,4-Dichlorobutane c110565  
1299 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1300 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1301 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1302 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1303 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1304 C5H11Cl Pentane, 1-chloro- pencl1  
1305 C4H8O2 Butanoic acid bua  
1306 C6H5CH2 benzyl radical benzyl  
1307 C7H7+ cycloheptatrienyl cation c7h7+  
1308 C6H5CH3 toluene toluene  
1309 C7H8 cycloheptatriene cht  
1310 C7H8 Norbornadiene norbor  
1311 C7H8 Quadricyclane qucy  
1312 C7H12 Norbornane nor  
1313 C7H14 cycloheptane c7h14  
1314 C7H16 2-methylhexane 2mhex  
1315 C7H16 3-methylhexane hex3m  
1316 C7H16 heptane heptane  
1317 CH(CN)3 tricyanomethane mecn3  
1318 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1319 C6H7N 2-Methylpyridine mp  
1320 C6H5NH2 aniline aniline  
1321 C6H13N 2-Methylpiperidine pip2m  
1322 C6H13N cyclohexanamine cham  
1323 C6H15N triethylamine tea  
1324 N2O5 Dinitrogen pentoxide n2o5  
1325 C4H2O3 Maleic Anhydride malan  
1326 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1327 C5H4O2 furfural furfural  
1328 C6H5O phenoxy radical phenoxy  
1329 C5H5NO 2(1H)-Pyridinone c72762006  
1330 C5H5NO 2(3H)-Pyridinone c9000048  
1331 C5H5NO 2(5H)-Pyridinone c9000037  
1332 C5H5NO 2-Pyridinol c109104  
1333 C5H5NO 3(2H)-Pyridinone c9000004  
1334 C5H5NO 3(4H)-Pyridinone c9000026  
1335 C5H5NO 3(6H)-Pyridinone c9000015  
1336 C5H5NO 3-Pyridinol c109002  
1337 C5H5NO 4(1H)-Pryidinone c9000060  
1338 C5H5NO 4(3H)-Pryidinone c9000059  
1339 C5H5NO 4-Pyridinol c626642  
1340 C6H5OH phenol phenol  
1341 C6H6O 2,4-Cyclohexadienone c24599573  
1342 C6H6O 2,5-Cyclohexadienone c5664335  
1343 C6H5SH Benzenethiol phsh  
1344 HO2CCHNH2CH2OH Serine serine  
1345 C5H8O2 Acetylacetone acac  
1346 C4H8O2S Sulfolane sulfolane  
1347 C7H10 Norbornene norbornene  
1348 CH(C2H3)3 trivinyl methane tvm  
1349 C6H10O cyclohexanone chexo  
1350 C6H12O hexanal c6h12o  
1351 C3H7OC3H7 di-n-propyl ether propr  
1352 F2CCCF2 tetrafluoroallene pfa  
1353 CF3COO- trifluoro acetate anion cf3coo-  
1354 CF3COF trifluoroacetyl fluoride cf3cof  
1355 CF3COCl trifluoroacetyl chloride cf3cocl  
1356 PF6 Hexafluorophosphate neutral pf6  
1357 PF6- Hexafluorophosphate ion pf6-  
1358 SeF6 Selenium hexafluoride sef6  
1359 SF5Cl sulfur chloropentafluoride sf5cl  
1360 CF3CHF2 pentafluoroethane cf3chf2  
1361 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1362 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1363 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1364 CCl3CHCl2 pentachloroethane ccl3chcl2  
1365 C6H5F Fluorobenzene bzf  
1366 C6H5Cl chlorobenzene bzcl  
1367 C6H5Br bromobenzene bzbr  
1368 C8H6 Calicene calicene  
1369 C6H5CCH phenylacetylene phac  
1370 C8H6 benzocyclobutadiene bcbd  
1371 C8H6 Pentalene pentalene  
1372 C6H5CHCH2 Styrene styrene  
1373 C8H8 cubane cubane  
1374 C8H8 cyclooctatetraene cot  
1375 C6H5CH2CH3 Ethylbenzene etbz  
1376 CH3C6H4CH3 meta-xylene mxylene  
1377 CH3C6H4CH3 paraxylene pxylene  
1378 C8H14 Bicyclo[2.2.2]octane bico222  
1379 C8H16 cyclooctane cyclooct  
1380 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1381 C8H18 Octane c8h18  
1382 C6H5CN phenyl cyanide phcn  
1383 C6H12N2 Triethylenediamine ted  
1384 C4O4-- squarate dianion c4o4--  
1385 S4N4 Tetrasulfur tetranitride s4n4  
1386 S8 Octasulfur s8  
1387 C6H4O2 parabenzoquinone pbq  
1388 C4H4N2O2 Uracil uracil  
1389 C6H5CHO benzaldehyde benzal  
1390 C6H5OCH3 Anisole anisole  
1391 C5H9NO2 Proline proline  
1392 C6H12O2 Methyl pivalate c598981  
1393 C6H12O2 Hexanoic acid hexa  
1394 C4F4 tetrafluorcyclobutadiene c4f4  
1395 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1396 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1397 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1398 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1399 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1400 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1401 C2F6 hexafluoroethane c2f6  
1402 C2Cl6 hexachloroethane c2cl6  
1403 IF7 Iodine heptafluoride if7  
1404 C6H4F2 metadifluorobenzene mdfb  
1405 C6H4F2 orthodifluorobenzene odfb  
1406 C6H4F2 1,4-difluorobenzene pdfb  
1407 C6H4Cl2 1,2-dichlorobenzene dcb12  
1408 C6H4Cl2 1,3-dichlorobenzene dcb13  
1409 C6H4Cl2 1,4-dichlorobenzene dcb14  
1410 C6H5NO nitrosobenzene bzno  
1411 C9H8 Indene indene  
1412 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1413 C9H12 n-propyl benzene prbz  
1414 C9H20 Nonane nonane  
1415 C(CN)4 tetracyanomethane c5n4  
1416 C5H4N4 purine purine  
1417 C8H7N Indole indole  
1418 C3H3N3O3 cyanuric acid cyanuric  
1419 C6H5NO2 Nitrobenzene c6h5no2  
1420 C6H5COOH benzoic acid benzo  
1421 CH3COC6H5 acetophenone acph  
1422 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1423 C3F6 hexafluoropropene c3f6  
1424 C6H3F3 Benzene trifluoride 123 bzf3a  
1425 C8H18O 1-Octanol octanol  
1426 C10H8 Azulene azu  
1427 C10H8 naphthalene naph  
1428 C10H10 bullvalene bullv  
1429 C10H16 adamantane adamantane  
1430 C6N4 Tetracyanoethylene tcne  
1431 C6N4- tetracyanoethylene anion tcne-  
1432 C10H22 Decane decane  
1433 C4F6 perfluorobutadiene c4f6  
1434 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1435 C3F8 perfluoropropane c3f8  
1436 Fe(CO)5 Iron pentacarbonyl ipc  
1437 Fe(C5H5)2 ferrocene fecp2  
1438 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1439 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1440 C12H8 Acenaphthylene acenaph  
1441 C12H8 biphenylene biph  
1442 C12H10 biphenyl biphenyl  
1443 C12H10 Heptalene heptalene  
1444 C6H12O6 Inositol inositol  
1445 C6F6 hexafluorobenzene c6f6  
1446 S2F10 disulphur decafluoride s2f10  
1447 C13H10 Fluorene fluorene  
1448 C14H10 Anthracene anth  
1449 C14H10 Phenanthrene phenanthrene  
1450 C14H14 Bibenzyl bibenzyl  
1451 C12H10N2 azobenzene azobenzene  
1452 C6H5COC6H5 benzophenone benzophenone  
1453 C16H10 Pyrene pyrene  
1454 C18H12 Tetracene tetracene  
1455 C19H16 Triphenylmethane tpm  
1456 C24H12 Coronene coronene  
1457 C60 Buckminsterfullerene c60