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

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 2SKh
12 Li- Lithium atom anion 1SKh
13 Na Sodium atom 2SKh
14 LiH Lithium Hydride 1ΣC∞v
15 LiH+ lithium hydride cation 2ΣC∞v
16 NaH sodium hydride 1ΣC∞v
17 NaH+ sodium hydride cation 2ΣC∞v
18 Be Beryllium atom 1SKh
19 Be+ Beryllium atom cation 2SKh
20 Mg Magnesium atom 1SKh
21 Mg+ Magnesium atom cation 2SKh
22 BeH beryllium monohydride 2ΣC∞v
23 MgH magnesium monohydride 2ΣC∞v
24 TiH Titanium monohydride 4ΦC∞v
25 ZnH+ Zinc, protonated   
26 BeH2 beryllium dihydride 1ΣgD∞h
27 BeH2+ Beryllium dihydride cation 2ΣC∞v
28 BeH2+ Beryllium dihydride cation 2ΣuD∞h
29 BeH2+ Beryllium dihydride cation   
30 MgH2 magnesium dihydride 1ΣgD∞h
31 B Boron atom 2PKh
32 B Boron atom 4PKh
33 B+ Boron atom cation 1SKh
34 Al Aluminum atom 2PKh
35 Al- Aluminum atom anion 3PKh
36 Al+ Aluminum atom cation 1SKh
37 Sc Scandium atom 2DKh
38 Sc+ Scandium cation 3DKh
39 Ga Gallium atom 2P 
40 Ga- Gallium atom anion 3POh
41 Ga+ Gallium atom cation 1S 
42 BH Boron monohydride 1ΣC∞v
43 BH Boron monohydride 3ΠC∞v
44 BH- boron monohydride anion 4ΣC∞v
45 ScH Scandium monohydride 1ΣC∞v
46 GaH Gallium monohydride 1ΣC∞v
47 GaH+ Gallium monohydride cation 2ΣC∞v
48 BH2- boron dihydride anion 3B1C2v
49 BH2- boron dihydride anion 1A1C2v
50 BH2+ Boron dihydride cation 1ΣgD∞h
51 BH3 boron trihydride 1A1'D3h
52 BH3+ boron trihydride cation 2B2C2v
53 BH3+ boron trihydride cation  C2v
54 AlH3 aluminum trihydride 1A1'D3h
55 AlH3- aluminum trihydride anion  C3v
56 ScH3 Scandium trihydride 1A1'D3h
57 ScH3 Scandium trihydride 1A1C3v
58 GaH3 Gallium trihydride 1A1'D3h
59 BH4 borohydride 2B2C2v
60 BH4- borohydride anion 1A1Td
61 C Carbon atom 3P0Kh
62 C Carbon atom 3P1Kh
63 C- Carbon atom anion 2DKh
64 C+ Carbon atom cation 2PKh
65 Si Silicon atom 3PKh
66 Si Silicon atom 1SKh
67 Si- Silicon atom anion 4SKh
68 Si+ Silicon atom cation 2PKh
69 Ge Germanium atom 3PKh
70 Ge- Germanium anion 4SKh
71 Ge+ Germanium cation 2PKh
72 CH Methylidyne 2Π1/2C∞v
73 SiH Silylidyne 2ΠC∞v
74 SiH- silicon monohydride anion 3ΣC∞v
75 SiH+ silicon monohydride cation 1ΣC∞v
76 GeH germylidene 2ΠC∞v
77 GeH+ Germaniun monohyrdide cation 1ΣC∞v
78 CH2 Methylene 3B1C2v
79 CH2 Methylene 3ΣGD∞h
80 CH2 Methylene 1A1C2v
81 CH2- methylene anion 2B1C2v
82 CH2+ methylene cation 2A1C2v
83 CH2+ methylene cation 2ΠD∞h
84 SiH2 silicon dihydride 3B1C2v
85 GeH2 germylene 1A1C2v
86 GeH2- germylene anion 2B1C2v
87 CH3 Methyl radical 2A1D3h
88 CH3- methyl anion 1A1C3v
89 CH3+ methyl cation 1A1'D3h
90 SiH3 Silyl radical 2A1C3v
91 SiH3+ Silyl cation 1A1'D3h
92 GeH3 Germyl radical 2A1C3v
93 GeH3+ germyl cation 1A1'D3h
94 CD4 methane-d4 1A1Td
95 CH2D2 methane-d2 1A1C2v
96 CH3D methane-d 1A1C3v
97 CH4 Methane 1A1Td
98 CHD3 methane-d3 1A1C3v
99 SiH2D2 silane-d2   
100 SiH4 Silane 1A1Td
101 GeH4 Germane 1A1Td
102 SiH5+ Silane, protonated   
103 N Nitrogen atom 4SKh
104 N Nitrogen atom 2DKh
105 N+ Nitrogen atom cation 3PKh
106 P Phosphorus atom 4SKh
107 V Vanadium atom 4FKh
108 V+ Vanadium atom cation 5DKh
109 As Arsenic atomic 4SKh
110 As- Arsenic anion 3PKh
111 As+ Arsenic cation 3PKh
112 PH phosphorus monohydride 3Σ-C∞v
113 AsH Arsenic monohydride 3ΣC∞v
114 AsH Arsenic monohydride 1ΣC∞v
115 AsH+ Arsenic monohydride cation 2ΠC∞v
116 NH2 Amino radical 2B1C2v
117 NH2+ Amino cation 3B1C2v
118 NH2+ Amino cation 1A1C2v
119 AsH2+ Arsenic dihydride cation 1A1C2v
120 NH3 Ammonia 1A1C3v
121 NH3- Ammonia anion 2A1C3v
122 NH3+ ammonia cation 2A2"D3h
123 PH3 Phosphine 1A1C3v
124 PH3+ Phosphine cation 2A1C3v
125 AsH3+ Arsine cation 2A1C3v
126 AsH4+ Arsonium   
127 NH4 Ammonium radical   
128 NH4+ ammonium cation 1A1Td
129 PH4 Phosphoranyl radical   
130 PH4+ phosphonium cation   
131 O Oxygen atom 3SKh
132 O+ Oxygen atom cation 4SKh
133 S Sulfur atom 3PKh
134 S Sulfur atom   
135 S- Sulfur atom anion 2PKh
136 S+ Sulfur atom cation 4SKh
137 Se Selenium atom 3PKh
138 Se- Selenium atom anion 2PKh
139 Se+ Selenium atom cation 4SKh
140 OH Hydroxyl radical 2ΠC∞v
141 OH- hydroxide anion 1ΣC∞v
142 OH+ hydoxyl cation 3ΣC∞v
143 HS Mercapto radical 2ΠC∞v
144 HS- mercapto anion 1ΣC∞v
145 HS+ sulfur monohydride cation 3ΣC∞v
146 CrH+ Chromium hydride cation 5ΣC∞v
147 HSe Selenium monohydride 2ΠC∞v
148 HSe- selenium monohydride anion 1ΣC∞v
149 HSe+ selenium monohydride cation 3ΣC∞v
150 H2O Water 1A1C2v
151 H2O- water anion 2A1C2v
152 H2O- water anion 2A'Cs
153 H2O+ water cation 2B1C2v
154 HDO Water-d1 1A1C2v
155 H2S Hydrogen sulfide 1A1C2v
156 H2S- Hydrogen sulfide anion 2A'Cs
157 H2S+ Hydrogen sulfide cation 2B1C2v
158 H2Se Hydrogen selenide 1A1C2v
159 H2Se+ Hydrogen selenide cation 2B1C2v
160 H3O+ hydronium cation 1A1C3v
161 H3S+ Sulfonium cation 1A1C3v
162 H3Se+ Hydrogen Selenide, protonated 1A1C3v
163 F Fluorine atom 2PKh
164 F- Fluorine atom anion 1SKh
165 F+ Fluorine atom cation 3SKh
166 F+ Fluorine atom cation 1DKh
167 Cl Chlorine atom 2PKh
168 Cl- Chlorine atom anion 1SKh
169 Cl+ Chlorine atom cation 3PKh
170 Cl+ Chlorine atom cation 1DKh
171 Br Bromine atom 2PKh
172 Br- Bromine atom anion 1SKh
173 Br+ Bromine atom cation 3PKh
174 HF Hydrogen fluoride 1ΣC∞v
175 HF- hydrogen fluoride anion 2ΣC∞v
176 HF+ hydrogen fluoride cation 2ΠC∞v
177 HCl Hydrogen chloride 1ΣC∞v
178 HCl- hydrogen chloride anion 2ΣC∞v
179 HCl+ hydrogen chloride cation 2ΠC∞v
180 HBr hydrogen bromide 1ΣC∞v
181 HBr- hydrogen bromide anion 2ΣC∞v
182 HBr+ hydrogen bromide cation 2ΠC∞v
183 H2Cl+ dihydrogen monochloride cation 1A1C2v
184 H2Br+ protonated hydrogen bromide 2A1C2v
185 Ne Neon atom 1SKh
186 Ne Neon atom   
187 Ne+ Neon atom cation 2PKh
188 Ar Argon atom 1SKh
189 Kr Krypton atom 1SKh
190 Kr+ Krypton cation 2PKh
191 HeLi+ Helium Lithium cation   
192 NeH neon hydrogen 2ΣC∞v
193 ArH+ Argon hydride cation 1ΣC∞v
194 KrH+ Protonated Krypton 1ΣC∞v
195 H2Ar H2 Ar dimer 1ΣC∞v
196 Li2 Lithium diatomic 1ΣgD∞v
197 NaLi lithium sodium 1ΣC∞v
198 Na2 Sodium diatomic 1ΣgD∞h
199 Na2- sodium diatomic anion 2ΣuD∞h
200 Na2+ sodium diatomic cation 2ΣgD∞h
201 Be2 Beryllium diatomic 1ΣgD∞h
202 Be2 Beryllium diatomic 3ΠgD∞h
203 BeMg Beryllium Magnesium 1ΣC∞v
204 Mg2 Magnesium diatomic 1ΣgD∞h
205 LiB Lithium boride 3ΠC∞v
206 LiAl Lithium Aluminum   
207 NaAl Sodium aluminum 1ΣC∞v
208 BeB Beryllium monoboride 2ΠC∞v
209 B2 Boron diatomic 3ΣgD∞h
210 B2 Boron diatomic 1ΣgD∞h
211 B2 Boron diatomic 5ΣuD∞h
212 B2+ Boron diatomic cation 2ΠD∞h
213 BAl Boron Aluminum 3ΣC∞v
214 BGa Boron Gallium 3ΣC∞v
215 AlGa Aluminum Gallium 3ΣC∞v
216 AlGa Aluminum Gallium 1ΣC∞v
217 Ga2 Gallium diatomic 3Piu 
218 HBBH Diborane(2) 3ΣGD∞h
219 LiBH4 Lithium borohydride 1A1C3v
220 B2H4 Diborane(4) D2d 1A1D2d
221 HBHHBH Diborane(4) C2V 1A1C2v
222 B2H6 Diborane 1AgD2h
223 B2H6+ Diborane cation   
224 Al2H6 dialane 1AGD2h
225 Ga2H6 digallane 1AGD2h
226 LiC Lithium Carbide 4ΣC∞v
227 BeC Beryllium Carbide 3Σ-C∞v
228 BeC Beryllium Carbide   
229 BC boron monocarbide 4Σ-C∞v
230 AlC Aluminum carbide 4ΣC∞v
231 BSi Boron silicide 4ΣC∞v
232 BSi Boron silicide 2ΣC∞v
233 C2 Carbon diatomic 1Σg+D∞h
234 C2 Carbon diatomic 3Σg- 
235 C2+ carbon diatomic cation 4ΣgD∞h
236 SiC silicon monocarbide 3ΣC∞v
237 SiC silicon monocarbide 1ΣC∞v
238 GeC Germanium monocarbide 1ΣC∞v
239 SiGe Silicon Germanium   
240 C2H Ethynyl radical 2ΣC∞v
241 C2H- Ethynyl anion 1ΣC∞v
242 C2H2 Acetylene 1ΣgD∞h
243 C2H2+ acetylene cation 2ΠuD∞h
244 C2H2+ acetylene cation   
245 CCH2 vinylidene 3B2C2v
246 H2CC- vinylidene anion   
247 HCCH- acetylene anion   
248 HCCH- acetylene anion   
249 Si2H2 disilyne   
250 Si2H2 disilyne   
251 Si2H2 disilyne   
252 Si2H2 disilyne   
253 CH3Li methyl lithium 1A1C3v
254 CH2BH methyleneborane 1A1C2v
255 C2H3 vinyl 2A'Cs
256 C2H3- vinyl anion 1A'Cs
257 C2H3+ vinyl cation 1A1C2V bridging H
258 C2H3+ vinyl cation 1A1C2V HCCH2
259 C2H4+ Ethylene cation 2B3D2
260 Si2H4 Disilene   
261 Si2H4 Disilene   
262 Si2H4 Disilene   
263 CH3BH2 methylborane 1A'Cs
264 C2H5 Ethyl radical 2A'Cs
265 C2H5- Ethyl anion 1A'Cs
266 C2H6 Ethane 1A1gD3d
267 C2H6 Ethane 1A1'D3h
268 Si2H6 disilane 1EuD3d
269 LiN Lithium Nitride 3ΣC∞v
270 LiP Lithium monophosphide   
271 LiP Lithium monophosphide   
272 BeN Beryllium mononitride 4ΣC∞v
273 BeN Beryllium mononitride 2ΠC∞v
274 BeN+ Beryllium mononitride cation 3ΣC∞v
275 BeN+ Beryllium mononitride cation 1ΣC∞v
276 MgN Magnesium Nitride   
277 MgN Magnesium Nitride   
278 BP Boron monophosphide 3ΠC∞v
279 BP Boron monophosphide 1ΣC∞v
280 AlP Aluminum monophosphide 3ΣC∞v
281 AlP Aluminum monophosphide 3ΠC∞v
282 AlP Aluminum monophosphide 1ΣC∞v
283 GaN Gallium mononitride 3ΠC∞v
284 GaN Gallium mononitride 1ΣC∞v
285 GaP Gallium monophosphide 3ΣC∞v
286 GaP Gallium monophosphide 1ΣC∞v
287 GaAs Gallium arsenide 3Π 
288 GaAs Gallium arsenide 1Σ 
289 BN boron nitride 3ΠC∞v
290 BN boron nitride 1ΣC∞v
291 CN Cyano radical 2ΣC∞v
292 CN- cyanide anion 1ΣC∞v
293 SiP Silicon monophosphide 2ΠC∞v
294 N2 Nitrogen diatomic 1ΣgD∞h
295 N2 Nitrogen diatomic   
296 N2- nitrogen diatomic anion 2ΠgD∞h
297 N2+ diatomic nitrogen cation 2ΣgD∞h
298 PN Phosphorus mononitride 1ΣC∞v
299 P2 Phosphorus diatomic 1ΣgD∞h
300 AsN Arsenic mononitride 1ΣC∞v
301 AsP Arsenic monophosphide 1ΣC∞v
302 HCN Hydrogen cyanide 1ΣC∞v
303 HCN+ hydrogen cyanide cation 2ΠC∞v
304 HNC+ hydrogen isocyanide cation   
305 HCP+ Phosphaethyne cation   
306 NNH+ Dinitrogen monohydride cation 1ΣC∞v
307 LiNH2 lithium amide   
308 HBNH Boranimine 1ΣC∞v
309 CNH2 Aminomethylidyne radical 2B2C2v
310 H2CN Dihydrogen cyanide radical 2B2C2v
311 HCNH methyleneazane 2A'CS cis
312 HCNH methyleneazane 2A'CS trans
313 H2NN Isodiazene   
314 N2H2 (E)-diazene 1AgC2h
315 N2H2 (Z)-Diazene 1A1C2v
316 N2H2+ trans-diazene cation 2AGC2h
317 CH2NH Methanimine 1A'Cs
318 CH2NH+ Methanimine cation   
319 CHNH2 aminomethylene   
320 CHNH2+ Aminocarbene cation   
321 CH2PH Phosphaethene 1A'Cs
322 BH2NH2 Boranamine   
323 CH2NH2+ methyleneamine cation 1A1C2v
324 N2H4 Hydrazine 1AC2
325 N2H4+ hydrazine cation 2AGC2h
326 CH3NH2 methyl amine 1A'Cs
327 N2H5+ protonated hydrazine 1A'Cs
328 BH3PH3 borane phosphine   
329 BH3NH3 borane ammonia 1A1C3v
330 CH3NH3 methyl ammonium radical 2A1C3v
331 CH3PH3+ methyl phosphine, protonated 1A1C3v
332 NH3NH3 Ammonia Dimer 1AgC2h
333 NH3NH3 Ammonia Dimer 1A'Cs
334 N2H7+ ammonia ammonium dimer   
335 LiO lithium oxide 2ΣC∞v
336 LiS Lithium monosulfide 2ΠC∞v
337 LiS+ Lithium sulfide cation 3ΣC∞v
338 NaO sodium monoxide 2ΣC∞v
339 NaS Sodium sulfide 2ΠC∞v
340 LiSe Lithium monoselenide   
341 BeO beryllium oxide 1ΣC∞v
342 BeO+ Beryllium monoxide cation 2ΠC∞v
343 BO boron monoxide 2ΣC∞v
344 ScO Scandium monoxide 2ΣC∞v
345 GaO Gallium monoxide 2ΣC∞v
346 GaS Gallium monosulfide   
347 CO Carbon monoxide 1ΣC∞v
348 CO- carbon monoxide anion 2ΠC∞v
349 CO+ carbon monoxide cation 2ΣC∞v
350 SiO Silicon monoxide 1ΣC∞v
351 SiS silicon monosulfide 1ΣC∞v
352 TiO Titanium monoxide 3ΔC∞v
353 CSe Carbon monoselenide 1ΣC∞v
354 GeO Germanium monoxide 1ΣC∞v
355 GeO+ Germanium monoxide cation 2ΣC∞v
356 GeS Germanium monosulfide 1ΣC∞v
357 SiSe Silicon Monoselenide   
358 SiSe+ Silicon Monoselenide cation   
359 GeSe Germanium monoselenide   
360 NO Nitric oxide 2ΠC∞v
361 NO- nitric oxide anion 3ΣC∞v
362 NO+ nitric oxide cation 1ΣC∞v
363 NS Mononitrogen monosulfide 2ΠC∞v
364 NS- nitrogen sulfide anion 3ΣC∞v
365 PO Phosphorus monoxide 2ΠC∞v
366 PS phosphorus sulfide 2ΣC∞v
367 VO Vanadium monoxide 4Σ- 
368 NSe Nitrogen monoselenide 2ΠC∞v
369 AsS Arsenic monosulfide 2ΠC∞v
370 PSe Phosphorus monoselenide 2ΠC∞v
371 AsSe Arsenic monoselenide 2ΠC∞v
372 O2 Oxygen diatomic 3ΣgD∞h
373 O2 Oxygen diatomic 1ΔgD∞h
374 O2- oxygen diatomic anion 2ΠD∞h
375 O2-- dioxygen dianion   
376 O2+ diatomic oxygen cation 2ΠgD∞h
377 SO Sulfur monoxide 3ΣC∞v
378 SO Sulfur monoxide 1ΣC∞v
379 SO+ sulfur monoxide cation 2ΠC∞v
380 S2 Sulfur diatomic 3ΣgD∞h
381 SeO Selenium monoxide 3ΣC∞v
382 Se2 Selenium diatomic 3ΣgD∞h
383 LiOH lithium hydroxide 1ΣC∞v
384 BeOH beryllium monohydroxide 2A'Cs
385 BeOH beryllium monohydroxide 2ΣC∞v
386 HBO Boron hydride oxide 1ΣC∞v
387 HBS hydrogen boron sulfide 1ΣC∞v
388 COH Hydroxymethylidyne   
389 COH+ Carbon Monoxide, protonated 1ΣC∞v
390 HCO Formyl radical 2A'Cs
391 HCO- formyl anion 1A'Cs
392 HCO+ Formyl cation 1ΣC∞v
393 HNO Nitrosyl hydride 1A'Cs
394 HNO+ Nitrosyl hydride cation 2A'Cs
395 NOH Hydroxyimidogen 3A"Cs
396 NOH+ O-protonated nitric oxide 2A'Cs
397 HO2 Hydroperoxy radical 2A"Cs
398 HO2+ Hydroperoxy cation 3A"Cs
399 HSO+ Sulfur Monoxide, S-protonated   
400 SOH Sulfur Hydroxide   
401 SOH+ Sulfur Monoxide, protonated   
402 HS2 Thiosulfeno radical 2A"Cs
403 H2CO Formaldehyde 1A1C2v
404 H2CO- formaldehyde anion 2A'Cs
405 H2CO- formaldehyde anion   
406 H2CO+ formaldehyde cation 2B2C2v
407 HOCH hydroxycarbene 1A'CS trans
408 HOCH hydroxycarbene 1A'CS cis
409 H2CS Thioformaldehyde 1A1C2v
410 H2CS- thioformaldehyde anion   
411 H2CS- thioformaldehyde anion   
412 H2CS+ thioformaldehyde cation 2B2C2v
413 H2CSe Selenoformaldehyde   
414 H2NO nitroxide 2B1C2v
415 H2NO nitroxide 2A'Cs
416 H2O2 Hydrogen peroxide 1AC2
417 H2O2 Hydrogen peroxide 1AgC2h
418 H2O2+ Hydrogen peroxide cation 2BgC2h
419 H2O2+ Hydrogen peroxide cation 2A1C2v
420 H2OO water oxide   
421 HOSH hydrogen thioperoxide   
422 H2S2 Disulfane 1AC2
423 H2S2+ hydrogen disulfide cation 2BgC2h
424 H2Se2 hydrogen diselenide   
425 CH2OH Hydroxymethyl radical 2AC1
426 CH2OH+ hydroxymethyl cation 1A'Cs
427 CH3O- methoxy anion 1A1C3v
428 CH3O+ Methoxy cation 3A1C3v
429 H2CSH+ Thioformaldehyde, protonated 1A'Cs
430 NH2OH hydroxylamine 1A'Cs
431 NH2OH+ Hydroxylamine cation   
432 NH3O Ammonia Oxide 1A1C3v
433 H2POH Phosphinous acid 1A1'CS trans
434 H2POH Phosphinous acid 1A1'CS cis
435 H3PO Phosphine oxide 1A1C3v
436 NH2SH Thiohydroxylamine   
437 CH3OH Methyl alcohol 1A'Cs
438 CH3OH+ Methyl alcohol cation 2A"Cs
439 CH3SH Methanethiol 1A'Cs
440 CH3SH+ Methanethiol cation 2A"Cs
441 SiH3OH silanol   
442 NH2OH2+ protonated hydroxylamine   
443 NH3OH+ N-protonated hydroxylamine   
444 H2OH2O water dimer 1A'Cs
445 H5O2+ Dihydroxonium ion 1AC2
446 LiF lithium fluoride 1ΣC∞v
447 LiCl lithium chloride 1ΣC∞v
448 NaF sodium fluoride 1ΣC∞v
449 NaF+ sodium fluoride cation 2ΣC∞v
450 NaCl Sodium Chloride 1ΣC∞v
451 LiBr Lithium Bromide 1ΣC∞v
452 LiF+ lithium fluoride cation 2ΠC∞v
453 BeF- Beryllium monofluoride anion 1ΣC∞v
454 MgF+ magnesium fluoride cation 1ΣC∞v
455 ZnF Zinc monofluoride 2ΣC∞v
456 BF Boron monofluoride 1ΣC∞v
457 AlF Aluminum monofluoride 1Σ+C∞v
458 AlCl Aluminum monochloride 1ΣC∞v
459 ScF Scandium monofluoride 1ΣC∞v
460 BBr Boron monobromide 1ΣC∞v
461 GaF Gallium monofluoride 1ΣC∞v
462 GaF+ Gallium monofluoride cation 2ΣC∞v
463 AlBr Aluminum monobromide   
464 GaCl Gallium monochloride 1ΣGC∞v
465 GaCl+ Gallium monochloride cation 2ΣC∞v
466 GaBr Gallium monobromide   
467 CF Fluoromethylidyne 2ΠC∞v
468 SiF silicon monofluoride 2ΠC∞v
469 SiF- silicon monofluoride anion 3ΣC∞v
470 SiF+ silicon monofluoride cation 1ΣC∞v
471 SiCl Clorosilylidyne 2ΠC∞v
472 CBr Carbon monobromide 2ΠC∞v
473 GeF Germanium monofluoride 2ΠC∞v
474 GeF+ Germanium monofluoride cation 1ΣC∞v
475 GeCl Germanium monochloride 2ΠC∞v
476 GeCl+ Germanium monochloride cation   
477 SiBr Silicon monobromide 2ΠC∞v
478 SiBr+ Silicon monobromide cation   
479 NCl nitrogen monochloride 3ΣC∞v
480 AsF Arsenic monofluoride 3ΣC∞v
481 AsF Arsenic monofluoride 1ΔC∞v
482 NBr nitrogen monobromide 3Σ-C∞v
483 AsCl Arsenic monochloride 3ΣC∞v
484 PBr Phosphorus monobromide   
485 FO Oxygen monofluoride 2ΠC∞v
486 ClO Monochlorine monoxide 2ΠC∞v
487 ClO+ chlorine monoxide cation 3ΣC∞v
488 SF Monosulfur monofluoride 2ΠC∞v
489 SF+ sulfur monofluoride cation 3ΣC∞v
490 SCl sulfur monochloride 2ΠC∞v
491 SCl+ sulfur monochloride cation 3ΣgC∞v
492 BrO Bromine monoxide 2ΠC∞v
493 BrO- Bromine monoxide anion 1ΣC∞v
494 BrO+ Bromine monoxide cation   
495 SeF Selenium monofluoride 2ΠC∞v
496 SBr Sulfur monobromide radical   
497 SBr+ Sulfur monobromide cation   
498 SeCl Selenium monochloride 2ΠC∞v
499 SeBr Selenium monobromide   
500 BrCl Bromine monochloride 1ΣC∞v
501 F2 Fluorine diatomic 1ΣgD∞h
502 F2- flourine diatomic anion 2ΣuD∞h
503 F2+ flourine diatomic cation 2ΠgD∞h
504 ClF Chlorine monofluoride 1Σ+C∞v
505 ClF+ clorine monofluoride cation 2ΠC∞v
506 Cl2 Chlorine diatomic 1ΣgD∞h
507 Cl2- chlorine diatomic anion 2ΣuD∞h
508 Cl2+ chlorine diatomic cation 2ΠgD∞h
509 BrF Bromine monofluoride 1ΣC∞v
510 Br2 Bromine diatomic 1ΣgD∞h
511 Br2- bromine diatomic anion 2ΣuD∞h
512 Br2+ bromine diatomic cation 2ΠgD∞h
513 HCF Fluoromethylene 1A'Cs
514 HCF Fluoromethylene 3A"Cs
515 HCCl Chloromethylene 1A'Cs
516 HCCl Chloromethylene 3A"Cs
517 HSiF fluorosilylene   
518 HSiCl Chlorosilylene   
519 HSiBr monobromosilylene   
520 HOF Hypofluorous acid 1A'Cs
521 HOCl hypochlorous acid 1A'Cs
522 HOCl+ hypochlorous acid cation   
523 HOBr Hypobromous acid 1A'Cs
524 HOBr+ Hypobromous acid cation 2A"Cs
525 F2H+ Fluorine, protonated 1A'Cs
526 ClFH+ Chlorine fluoride, F-protonated   
527 FClH+ Chlorine fluoride, Cl-protonated   
528 Cl2H+ Chlorine, protonated 1A'Cs
529 CH2Br bromomethyl radical   
530 CH2F fluoromethyl radical 2ACs
531 CH2F+ fluoromethyl cation   
532 CH2Cl+ chloromethyl cation   
533 CH2Cl chloromethyl radical 2A'Cs
534 CH2Cl chloromethyl radical 2B1C2v
535 NH2Cl chloramine 1A'Cs
536 CH3F+ methyl fluoride cation   
537 CD3F methylfluoride-d3 1A1C3v
538 CH3F Methyl fluoride 1A1C3v
539 CD3Cl methyl chloride d3 1A1C3v
540 CH3Cl Methyl chloride 1A1C3v
541 CH3Cl+ Methyl chloride cation   
542 SiH3F monofluorosilane 1A1C3v
543 SiH3Cl chlorosilane 1A1C1
544 CH3Br methyl bromide 1A1C3v
545 GeH3F monofluorogermane   
546 GeH3Cl monochlorogermane   
547 NH3Cl+ protonated monochloroammonia   
548 CH3ClH+ methyl chloride, protonated   
549 NH4Cl Ammonium chloride   
550 LiNe+ Lithium Neon cation   
551 Ne2+ Neon diatomic cation 2ΣuD∞h
552 Ar2 Argon diatomic 1SgD∞h
553 Ar2+ Argon diatomic cation 2ΣuD∞h
554 Li3 Lithium trimer 2B2C2v
555 Li3+ Lithium trimer cation 1A1'D3h
556 C3 carbon trimer 1ΣgD∞h
557 C3 carbon trimer 1A1C2v
558 SiC2 Silicon dicarbide   
559 C3H4 cyclopropene 1A1C2v
560 CH2CCH2 allene 1A1D2d
561 CH3CCH propyne 1A'C3v
562 CH2CHCH3 Propene 1A'Cs
563 C3H7 n-Propyl radical 2A"C1
564 C3H7+ cyclopropane, protonated   
565 CH3CHCH3+ Isopropyl cation 1AC2
566 Si3H8 trisilane   
567 LiCN lithium cyanide 1ΣC*V LiCN
568 LiCN lithium cyanide 1A'Cs
569 LiCN lithium cyanide 1ΣC*V LiNC
570 NaCN Sodium Cyanide 1ΣC∞v
571 NaCN Sodium Cyanide 1ACs
572 NaCN Sodium Cyanide 1ΣC∞v
573 ZnCN Zinc monocyanide 2ΣC∞v
574 ZnNC Zinc isocyanide 2ΣC∞v
575 AlCN Aluminum monocyanide   
576 AlNC Aluminum isocyanide   
577 CN2 3H-Diazirin-3-ylidene 1A1C2v
578 CNN Diazocarbene   
579 NCN Cyanoimidogen 3ΣgD∞h
580 NCN Cyanoimidogen 1ΣgD∞h
581 N3 azide radical 2ΠgD∞h
582 N3+ azide cation 3ΣgD∞h
583 N3+ azide cation 3ΣC∞v
584 HN3 hydrogen azide 1A'Cs
585 HN3+ Hydrazoic acid cation   
586 HNCNH diiminomethane 1AC2
587 HNNNH+ 1,2-Triazadienium   
588 NH2NN+ hydrazoic acid, protonated   
589 CH3CN Acetonitrile 1A1C3v
590 HCNCH2+ 2H-Azirine cation   
591 HNCNH2+ diiminomethane, protonated 1A'Cs
592 NH2CNH+ cyanamide, cn protonated   
593 NH3CN+ cyanamide, amine protonated   
594 C2H6N+ aziridine, protonated 1A1C2v
595 Li2O dilithium oxide 1ΣgD∞h
596 Li2S dilithium sulfide 1ΣGD∞h
597 Li2S dilithium sulfide 1A1C2v
598 Na2O disodium monoxide 1ΣgLinear
599 Na2O disodium monoxide 1A1C2v
600 Na2S Sodium sulfide   
601 Na2S Sodium sulfide   
602 LiO2 Lithium dioxide   
603 NaO2 Sodium superoxide   
604 CCO Dicarbon monoxide 3ΣC∞v
605 CCO Dicarbon monoxide 1ΠC∞v
606 NCO isocyanato radical 2ΠC∞v
607 N2O Nitrous oxide 1ΣC∞v
608 N2O- Nitrous oxide anion 2A'Cs
609 NNS Nitrogen sulfide 1ΣC∞v
610 CO2 Carbon dioxide 1ΣgD∞h
611 OCS Carbonyl sulfide 1ΣC∞v
612 CS2 Carbon disulfide 1ΣgD∞h
613 CS2- Carbon disulfide anion 2A1C2v
614 TiO2 Titanium dioxide 1A1C2v
615 GeO2 Germanium dioxide 1ΣgD∞h
616 OCSe Carbonyl selenide 1ΣC∞v
617 SCSe Carbon sulfide selenide   
618 GeS2 Germanium disulfide 1ΣGD∞h
619 NO2 Nitrogen dioxide 2A1C2v
620 NO2+ Nitrogen dioxide cation 1ΣGD∞h
621 NSO sulfinyl amidogen   
622 SNO Nitrogen oxide sulfide   
623 O3 Ozone 1A1Cs
624 SO2 Sulfur dioxide 1A1C2v
625 SSO Disulfur monoxide 1A'Cs
626 S3 Sulfur trimer 1A1C2v
627 S3 Sulfur trimer   
628 S3+ Sulfur trimer cation 2B2C2v
629 SeO2 Selenium dioxide 1A1C2v
630 SeO2+ Selenium dioxide cation 2A1C2v
631 HCCO ketenyl radical 2ΠC∞v
632 HCCO ketenyl radical 2A"Cs
633 HCNO fulminic acid 1ΣC∞v
634 HCOO formate neutral radical 2A'Cs
635 HOCO Hydrocarboxyl radical 1A'cis
636 HOCO Hydrocarboxyl radical 1A'trans
637 O3H+ protonated ozone 1A'Cs
638 O3H+ protonated ozone   
639 C2H2O Oxirene 1A1C2v
640 CH2CO Ketene 1A1C2v
641 CH2CS Thioketene   
642 Be(OH)2 Beryllium hydroxide   
643 NH2NO Nitrosamide 1AC1
644 H2COO Dioxymethyl radical 2A'Cs
645 H2COO+ dioxymethyl cation 2A'Cs
646 HCOOH Formic acid 1A'Cs
647 HCOOH Formic acid   
648 CH2BOH hydroxy(methylene)borane 1A'Cs
649 BH3CO Borane carbonyl 1A1C3v
650 CH3BO Borane, methyloxo- 1A1C3v
651 CH2COH+ ketene, protonated   
652 CHONH2 formamide 1A'Planar
653 CNOH3 1,2-oxaziridine 1AC1
654 HOCHNH hydroxymethylimine 1A'CS H all up
655 HOCHNH hydroxymethylimine 1A'CS OH down
656 NHCHSH Methanimidothioic acid   
657 C2H4O Ethylene oxide 1A1C2v
658 C2H4O+ ethylene oxide cation   
659 CH3CHO Acetaldehyde 1A'Cs
660 CH3CHO+ acetaldehyde cation   
661 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
662 C2H4S Thiirane 1A1C2v
663 CH2CHSH Ethenethiol   
664 H2CONH2+ protonated formamide 1A'Cs
665 NH2CHOH+ Formamide, O-protonated   
666 CH3SSH Hydrogen methyl disulfide   
667 HSCH2SH Methanedithiol   
668 C2H4OH+ ethylene oxide, protonated 1A'Cs
669 CH3CH2SH ethanethiol 1A'Cs
670 CH3SCH3 Dimethyl sulfide 1A1C2v
671 CH3SCH3+ dimethyl sulfide cation   
672 CNF iso cyanogen fluoride 1ΣC∞v
673 BrCN Cyanogen bromide 1ΣC∞v
674 FBO Boron monofluoride monoxide   
675 MgF2 Magnesium fluoride 1ΣgD∞h
676 BeBr2 Beryllium bromide   
677 FCO Carbonyl fluoride 2A'Cs
678 FCO+ Carbonyl fluoride cation 1ΣC∞v
679 ClCO carbonyl monochloride 2A'Cs
680 BF2 Boron difluoride radical 2A1C2v
681 FNO Nitrosyl fluoride 1A'Cs
682 ClNO Nitrosyl chloride 1A'Cs
683 FNS Thionitrosyl fluoride 1A'Cs
684 FSN Thiazyl fluoride 1A'Cs
685 OPCl Phosphorus oxychloride   
686 CF2 Difluoromethylene 1A1D∞h
687 CFCl chlorofluoromethylene 1A'Cs
688 SiF2 Silicon difluoride 1A1C2v
689 GeF2 Germanium difluoride 1A1C2v
690 GeCl2 Germanium dichloride 1A1C2v
691 FOO+ Fluorine dioxide cation   
692 OClO Chlorine dioxide 2B1D∞h
693 OClO- Chlorine dioxide anion 1A'Cs
694 ClSO Sulfur chloride oxide 2A"Cs
695 BrOO Bromine dioxide   
696 PF2 Phosphorus difluoride   
697 PF2+ Phosphorus difluoride cation   
698 FClO chlorosyl fluoride 1A'Cs
699 ClOF Chlorine hypofluorite 1A'Cs
700 SF2 sulfur difluoride 1A1C2v
701 SF2- sulfur difluoride anion 2ΠD∞h
702 SCl2 Sulfur dichloride 1A1C2v
703 SeF2 Selenium difluoride   
704 SeCl2 Selenium Dichloride   
705 SBr2 Sulfur dibromide   
706 SeBr2 Selenium dibromide   
707 Br3- tribromide anion   
708 SFCl Sulfur chloride fluoride   
709 HCCF Fluoroacetylene 1ΣC∞v
710 CHF2 difluoromethyl radical 2ACs
711 CHF2+ difluoromethyl cation   
712 CHFCl Chlorofluoromethyl radical   
713 CHFCl+ Chlorofluoromethyl cation   
714 CHCl2+ dichloromethyl cation   
715 NHF2 difluoramine   
716 NHCl2 dichloroamine   
717 CH2F2 Methane, difluoro- 1A1C2v
718 SiH2F2 difluorosilane   
719 CH2Cl2 Methylene chloride 1A1C2v
720 CH2BrCl Methane, bromochloro- 1A'Cs
721 CH2Br2 dibromomethane 1A1C2v
722 CH3MgBr Methyl Magnesium Bromide   
723 CH2CHF Ethene, fluoro- 1A'Cs
724 CH2FOH fluoromethanol   
725 KrF2 Krypton difluoride 1ΣGD∞h
726 C4 Carbon tetramer 3ΣgD∞h
727 C4 Carbon tetramer   
728 C4H4 cyclobutadiene 1AgD2h
729 C4H4 Tetrahedrane   
730 CH3CH2CH2CH3 Butane 1AgAnti
731 Li3N trilithium nitride 1A'D3h
732 C2N2 Cyanogen 1ΣgD∞h
733 As4 Arsenic tetramer 1A1Td
734 HCCCN+ Cyanoacetylene cation 2ΠC∞v
735 H2CNCN cyanamide, methylene   
736 HNCCNH Ethenediimine   
737 CH7N3 triaminomethane   
738 N(SiH3)3 trisilylamine   
739 Na2O2 disodium dioxide   
740 C3O Tricarbon monoxide 1ΣC∞v
741 ONNO NO dimer 1Agtrans C2H
742 ONNO NO dimer 1A1cis C2V
743 S2N2 Disulfur dinitride 1AGD2h
744 NO3- nitrate anion 1A1'D3h
745 SO3 Sulfur trioxide 1A1'D3h
746 SO3-- Sulfate dianion   
747 S4 Sulfur tetramer   
748 S4 Sulfur tetramer   
749 S4 Sulfur tetramer   
750 HNO3 Nitric acid 1A'Cs
751 C3H2O Propadienal   
752 C3H2O Propadienal   
753 C2H2O2 Ethanedial 1AgC2h
754 C2H3NO Nitrosoethylene   
755 CH3NO2 Methane, nitro- 1A'Cs
756 H3AlO3 Aluminum hydroxide   
757 CH2CHCHO Acrolein 1A'Cs
758 CH2CHCHO Acrolein   
759 NH2CONH2 Urea 1A1C2v
760 CH3COCH2 Acetonyl radical 2A"Cs
761 CH3CH2CHO Propanal 1A'Cs
762 Li2F2 Lithium fluoride dimer   
763 CF2O Carbonic difluoride 1A1C2v
764 CF2O+ Carbonic difluoride cation   
765 BF3 Borane, trifluoro- 1A'D3h
766 BF3+ boron trifluoride cation   
767 AlF3 Aluminum trifluoride 1A1'D3h
768 BCl3 Borane, trichloro- 1A1'D3h
769 BCl3+ Boron Trichloride cation   
770 GaF3 Gallium trifluoride 1A1'D3h
771 GaCl3 Gallium trichloride 1A1'D3h
772 CF2Cl difluorochloromethyl radical   
773 CFCl2 dichlorofluoromethyl radical   
774 ClO2F Chloryl fluoride 1A'Cs
775 SSCl2 Thiothionyl chloride   
776 NF3 Nitrogen trifluoride 1A1C3v
777 NCl3 nitrogen trichloride 1A1C3v
778 NBr3 Nitrogen Tribromide 1A1C3v
779 SF3 Sulfur trifluoride 2A'Cs
780 HClO3 Chloric Acid 1A'Cs
781 HClO3 Chloric Acid 1AC1
782 CHF3 Methane, trifluoro- 1A1C3v
783 SiHF3 trifluorosilane   
784 CHBrF2 Methane, bromodifluoro- 1A'Cs
785 CHBrCl2 Methane, bromodichloro- 1A'Cs
786 AsF3H+ Arsenic trifluoride, protonated   
787 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
788 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
789 C2H4F2 1,2-difluoroethane 1AgC2H anti
790 C2H4F2 1,2-difluoroethane 1AC2 gauche
791 CH2CHCH2F Allyl Fluoride   
792 CH2CHCH2F Allyl Fluoride   
793 CH3CHCHF trans-1-Fluoro-1-propene   
794 CH3CHFCH3 2-Fluoropropane 1A'Cs
795 C3O2 Carbon suboxide 1ΣGD∞h
796 B2O3 diboron trioxide   
797 B2O3 diboron trioxide   
798 C3H3NO Isoxazole 1A'Cs
799 CF3Cl Methane, chlorotrifluoro- 1A1C3v
800 CF2Cl2 difluorodichloromethane 1A1C2v
801 C2H2N2O Furazan   
802 N2O4 Dinitrogen tetroxide 1AgD2d
803 C3H2O3 vinylene carbonate   
804 C4H6O2 γ–Butyrolactone 1AC1
805 C3H6O3 1,3,5-Trioxane 1A1C1
806 PF5 Phosphorus pentafluoride 1A1'D3h
807 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
808 SF6 Sulfur Hexafluoride 1A1GOh

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Li+ Lithium atom cation li+  
11 Na- Sodium atom anion na-  
12 Na+ Sodium atom cation na+  
13 K Potassium atom k  
14 K- Potassium atom anion k-  
15 K+ Potassium atom cation k+  
16 Cu Copper atom cu  
17 Cu- Copper atom anion cu-  
18 Cu+ Copper atom cation cu+  
19 LiH- lithium hydride anion lih-  
20 NaH- sodium hydride anion nah-  
21 KH Potassium hydride kh  
22 KH+ Potassium hydrogen cation kh+  
23 CuH Copper monohydride cuh  
24 Be- Beryllium atom anion be-  
25 Mg- Magnesium atom anion mg-  
26 Ca Calcium atom ca  
27 Ca- Calcium atom anion ca-  
28 Ca+ Calcium atom cation ca+  
29 Zn Zinc atom zn  
30 Zn- Zinc atom anion zn-  
31 Zn+ Zinc atom cation zn+  
32 BeH- berylium monohydride anion beh-  
33 BeH+ beryllium monohydride cation beh+  
34 MgH- magnesium monohydride anion mgh-  
35 MgH+ magnesium monohydride cation mgh+  
36 CaH Calcium monohydride cah  
37 CaH+ Calcium monohydride cation cah+  
38 ZnH Zinc monohydride znh  
39 CaH2 Calcium Hydride cah2  
40 ZnH2 Zinc hydride znh2  
41 B- Boron atom anion b-  
42 BH- boron monohydride anion bh-  
43 BH+ boron monohydride cation bh+  
44 AlH aluminum monohydride alh  
45 AlH- aluminum monohydride anion alh-  
46 AlH+ aluminum monohydride cation alh+  
47 ScH+ Scandium monohydride cation sch+  
48 BH2 boron dihydride bh2  
49 AlH2 aluminum dihydride alh2  
50 AlH2- aluminum dihydride anion alh2-  
51 AlH2+ aluminum dihydride cation alh2+  
52 BH3- boron trihydride anion bh3-  
53 AlH3+ aluminum trihydride cation alh3+  
54 AlH4- Aluminum tetrahydride anion alh4-  
55 C- Carbon atom anion c-  
56 Ti Titanium atom ti  
57 Ti- Titanium atom anion ti-  
58 Ti+ Titanium atom cation ti+  
59 Sn Tin atom sn  
60 Sn+ Tin cation sn+  
61 CH- methylidyne anion ch-  
62 CH+ Methylidyne cation ch+  
63 SiH2- silicon dihydride anion sih2-  
64 SiH2+ silicon dihydride cation sih2+  
65 SiH3- Silyl anion sih3-  
66 CH4- Methane anion ch4-  
67 CH4+ Methane cation ch4+  
68 SiH4+ Silane cation sih4+  
69 SnH4 Stannane snh4  
70 N- Nitrogen atom anion n-  
71 P- Phosphorus atom anion p-  
72 P+ Phosphorus atom cation p+  
73 Sb Antimony atom sb  
74 NH Imidogen nh  
75 NH- Imidogen anion nh-  
76 NH+ imidogen cation nh+  
77 PH- phosphorus monohydride anion ph-  
78 PH+ phosphorus monohydride cation ph+  
79 SbH Antimony monohydride sbh  
80 ND2 Amidogen-d2 nd2  
81 NH2- amino anion nh2-  
82 PH2 Phosphino radical ph2  
83 PH2- Phosphino anion ph2-  
84 PH2+ Phosphino cation ph2+  
85 AsH2 Arsenic dihydride ash2  
86 ND3 Ammonia-d3 nd3  
87 AsH3 Arsine ash3  
88 SbH3 Stibine sbh3  
89 O- Oxygen atom anion o-  
90 Cr Chromium atom cr  
91 Te Tellurium atom te  
92 Te+ Tellurium atom cation te+  
93 DO Hydroxyl-d od  
94 DS Mercapto-d ds  
95 TeH Telluryl radical teh  
96 D2O Deuterium oxide d2o  
97 D2S Hydrogen sulfide-d2 d2s  
98 H2Te Hydrogen Telluride h2te  
99 Mn Manganese atom mn  
100 I Iodine atom iodine  
101 I- Iodine atom anion iodine-  
102 I+ Iodine atom cation iodine+  
103 DF Hydrofluoric acid-d df  
104 DCl Hydrochloric acid-d dcl  
105 HI Hydrogen iodide hi  
106 HI+ Hydrogen iodide cation hi+  
107 H2F+ dihydrogen fluoride cation h2f+  
108 H2I+ Iodonium h2i+  
109 Ne- Neon atom anion ne-  
110 Ar- Argon atom anion ar-  
111 Ar+ Argon atom cation ar+  
112 Fe Iron atom fe  
113 Xe Xenon atom xe  
114 NeH+ neon hydrogen cation neh+  
115 XeH+ Xenon, protonated xeh+  
116 Co Cobalt atom cobalt  
117 Ni Nickel atom ni  
118 Li2- lithium diatomic anion li2-  
119 NaLi- lithium sodium anion lina-  
120 NaLi+ lithium sodium cation lina+  
121 LiK Lithium Potassium lik  
122 NaK Sodium Potassium nak  
123 NaK+ Sodium Potassium diatomic cation nak+  
124 K2 Potassium diatomic k2  
125 Cu2 Copper diatomic cu2  
126 LiBe Lithium Beryllium libe  
127 LiMg Lithium magnesium limg  
128 NaBe Sodium Beryllium nabe  
129 NaMg Sodium Magnesium namg  
130 Be2- Beryllium diatomic anion be2-  
131 Be2+ Beryllium diatomic cation be2+  
132 Mg2- magnesium diatomic anion mg2-  
133 Mg2+ magnesium diatomic cation mg2+  
134 Ca2 Calcium diatomic ca2  
135 B2- Boron diatomic anion b2-  
136 Al2 Aluminum diatomic al2  
137 Al2- aluminum diatomic anion al2-  
138 Al2+ aluminum diatomic cation al2+  
139 CaC Calcium monocarbide cac  
140 BC- boron monocarbide anion bc-  
141 BC+ boron monocarbide cation bc+  
142 C2- carbon diatomic anion c2-  
143 SiC- silicon monocarbide anion sic-  
144 SiC+ silicon monocarbide cation sic+  
145 Si2 Silicon diatomic si2  
146 Si2- silcon diatomic anion si2-  
147 Si2+ silcon diatomic cation si2+  
148 Ge2 Germanium diatomic ge2  
149 C2H+ Ethynyl cation c2h+  
150 ZnCH2 Zinc methylene znch2  
151 CCH2 vinylidene vinylidene  
152 CuCH3 monomethyl copper cuch3  
153 ZnCH3 Zinc monomethyl znch3  
154 C2H4 Ethylene c2h4  
155 C2H4- Ethylene anion c2h4-  
156 CH3CH methylmethylene ch3ch  
157 CH2SiH2 silaethylene ch2sih2  
158 C2H5+ Ethyl cation c2h5+  
159 C2H6+ ethane cation c2h6+  
160 CH3SiH3 methyl silane ch3sih3  
161 GeH3CH3 methyl germane geh3ch3  
162 C2H7+ Ethane, protonated c2h7+  
163 LiN+ Lithium Nitride cation lin+  
164 BeN- Beryllium mononitride anion ben-  
165 BN- boron nitride anion bn-  
166 AlN- aluminum mononitride anion aln-  
167 AlN+ aluminum mononitride cation aln+  
168 BN+ boron nitride cation bn+  
169 AlN Aluminum nitride aln  
170 CN+ Cyano cation cn+  
171 CP Carbon monophosphide cp  
172 CP- carbon monophosphide anion cp-  
173 CP+ carbon monophosphide cation cp+  
174 SiN Silicon nitride sin  
175 SiN- silicon mononitride anion sin-  
176 SiN+ silicon mononitride cation sin+  
177 SiP- Silicon monophosphide anion sip-  
178 SiP+ Silicon monophosphide cation sip+  
179 TiN Titanium mononitride tin  
180 PN- phosphorus nitride anion pn-  
181 PN+ phosphorus nitride cation pn+  
182 P2- phosphorus diatomic anion p2-  
183 P2+ phosphorus diatomic cation p2+  
184 SbN Antimony nitride sbn  
185 As2 Arsenic diatomic as2  
186 HNB hydrogen nitrogen boron hnb  
187 HNC hydrogen isocyanide hnc  
188 HCN- Hydrogen cyanide anion hcn-  
189 HCP Phosphaethyne hcp  
190 NNH Dinitrogen monohydride nnh  
191 HPO Hydrogen phosphorus oxide hpo  
192 HPO+ Hydrogen phosphorus oxide cation hpo+  
193 CNH2+ N-protonated hydrogen isocyanide cnh2+  
194 H2CN+ hydrocyanonium cation h2cn+  
195 HCNH+ N-protonated HCN hcnh+  
196 P2H4 Diphosphine p2h4  
197 CH3NH2+ methyl amine cation ch3nh2+  
198 CH3PH2 Methyl phosphine ch3ph2  
199 SiH3NH2 Silane, amino sih3nh2  
200 CH3NH3+ protonated methylamine ch3nh3+  
201 LiO- lithium oxide anion lio-  
202 LiO+ lithium oxide cation lio+  
203 NaO- sodium oxide anion nao-  
204 NaO+ sodium oxide cation nao+  
205 KO Potassium monoxide ko  
206 KO+ Potassium monoxide cation ko+  
207 CuO Copper Monoxide cuo  
208 BeO- Beryllium monoxide anion beo-  
209 BeS beryllium sulfide bes  
210 MgO magnesium oxide mgo  
211 MgO- magnesium oxide anion mgo-  
212 MgO+ magnesium oxide cation mgo+  
213 CaO Calcium monoxide cao  
214 MgS magnesium sulfide mgs  
215 MgS- magnesium sulfide anion mgs-  
216 MgS+ magnesium sulfide cation mgs+  
217 CaS Calcium sulfide cas  
218 ZnO zinc monoxide zno  
219 ZnS Zinc sulfide zns  
220 BeS- Beryllium monosulfide anion bes-  
221 BeS+ Beryllium monosulfide cation bes+  
222 BO- boron monoxide anion bo-  
223 AlO Aluminum monoxide alo  
224 AlO- Aluminum monoxide anion alo-  
225 AlO+ aluminum monoxide cation alo+  
226 BS boron sulfide bs  
227 BS- boron monosulfide anion bs-  
228 BS+ boron monosulfide cation bs+  
229 AlS Aluminum sulfide als  
230 AlS- aluminum monosulfide anion als-  
231 AlS+ aluminum monosulfide cation als+  
232 BO+ boron monoxide cation bo+  
233 CS carbon monosulfide cs  
234 CS- carbon monosulfide anion cs-  
235 CS+ carbon monosulfide cation cs+  
236 SiO- silicon monoxide anion sio-  
237 SiO+ silicon monoxide cation sio+  
238 SiS- silicon monosulfide anion sis-  
239 SiS+ silicon monosulfide cation sis+  
240 CSe- Carbon monoselenide anion cse-  
241 CSe+ Carbon monoselenide cation cse+  
242 NS+ nitrogen sulfide cation ns+  
243 PO- phosphorus monoxide anion po-  
244 PO+ phosphorus monoxide cation po+  
245 PS- phosphorus monosulfide anion ps-  
246 PS+ phosphorus monosulfide cation ps+  
247 AsO Arsenic monoxide aso  
248 SO- sulfur monoxide anion so-  
249 S2- sulfur diatomic anion s2-  
250 S2+ sulfur diatomic cation s2+  
251 SeO- selenium monoxide anion seo-  
252 SeO+ selenium monoxide cation seo+  
253 SeS Selenium monosulfide ses  
254 SeS- selenium monosulfide anion ses-  
255 SeS+ selenium monosulfide cation ses+  
256 TeO Tellurium monoxide teo  
257 Se2- selenium diatomic anion se2-  
258 Se2+ selenium diatomic cation se2+  
259 Te2 Tellurium diatomic te2  
260 NaOH sodium hydroxide naoh  
261 KOH Potassium hydroxide koh  
262 MgOH magnesium hydroxide mgoh  
263 CaOH Calcium monohydroxide caoh  
264 HCS Thioformyl radical hcs  
265 HCS- Thioformyl anion hcs-  
266 HCS+ Thioformyl cation hcs+  
267 HNO- Nitrosyl hydride anion hno-  
268 HNS Sulfur imide hns  
269 HNS- Sulfur imide anion hns-  
270 HO2- Hydroperoxy anion ho2-  
271 CH3O Methoxy radical ch3o  
272 CH3S thiomethoxy ch3s  
273 NH3S sulfidoazane nh3s  
274 H3O2+ hydrogen peroxide, protonated h3o2+  
275 CH3OH- Methyl alcohol anion ch3oh-  
276 CH3SeH Methane selenol ch3seh  
277 CH3OH2+ Methanol, protonated ch3oh2+  
278 CH3SH2+ protonated methylsulfide ch3sh2+  
279 H2ONH3 Water Ammonia Dimer h2onh3  
280 LiCl- lithium chloride anion licl-  
281 LiCl+ lithium chloride cation licl+  
282 NaF- sodium fluoride anion naf-  
283 KF Potassium Fluoride kf  
284 NaCl- sodium chloride anion nacl-  
285 NaCl+ sodium chloride cation nacl+  
286 KCl Potassium Chloride kcl  
287 CuF Copper monofluoride cuf  
288 LiBr- lithium bromide anion libr-  
289 LiBr+ lithium bromide cation libr+  
290 CuCl Copper monochloride cucl  
291 NaBr Sodium Bromide nabr  
292 NaBr- sodium bromide anion nabr-  
293 NaBr+ sodium bromide cation nabr+  
294 KBr Potassium Bromide kbr  
295 LiI Lithium Iodide lii  
296 NaI Sodium Iodide nai  
297 KI Potassium Iodide ki  
298 LiF- lithium fluoride anion lif-  
299 BeF Beryllium monofluoride bef  
300 BeF+ Beryllium monofluoride cation bef+  
301 BeCl beryllium monochloride becl  
302 MgF Magnesium monofluoride mgf  
303 MgF- magnesium fluoride anion mgf-  
304 CaF Calcium monofluoride caf  
305 MgCl magnesium monochloride mgcl  
306 MgCl- magnesium monochloride anion mgcl-  
307 MgCl+ magnesium monochloride cation mgcl+  
308 CaCl calcium monochloride cacl  
309 TiCl Titanium Monochloride ticl  
310 ZnF- Zinc monofluoride anion znf-  
311 ZnF+ Zinc monofluoride cation znf+  
312 ZnCl Zinc monochloride zncl  
313 CaBr Calcium monobromide cabr  
314 BeCl- beryllium monochloride anion becl-  
315 BeCl+ beryllium monochloride cation becl+  
316 BF- Boron monofluoride anion bf-  
317 BF+ Boron monofluoride cation bf+  
318 AlF- Aluminum monofluoride anion alf-  
319 AlF+ Aluminum monofluoride cation alf+  
320 BCl boron monochloride bcl  
321 BCl- boron monochloride anion bcl-  
322 BCl+ boron monochloride cation bcl+  
323 AlCl- aluminum monochloride anion alcl-  
324 AlCl+ aluminum monochloride cation alcl+  
325 AlI Aluminum monoiodide ali  
326 CF- carbon monofluoride anion cf-  
327 CF+ carbon monofluoride cation cf+  
328 CCl carbon monochloride ccl  
329 CCl- carbon monochloride anion ccl-  
330 CCl+ carbon monochloride cation ccl+  
331 SiCl- silicon monochloride anion sicl-  
332 SiCl+ silicon monochloride cation sicl+  
333 NF nitrogen fluoride nf  
334 NF- nitrogen monofluorine anion nf-  
335 NF+ nitrogen monofluoirde cation nf+  
336 NCl- nitrogen monochloride anion ncl-  
337 NCl+ nitrogen monochloride cation ncl+  
338 PF phosphorus monofluoride pf  
339 PF- phosphorus monofluoride anion pf-  
340 PF+ phosphorus monofluoride cation pf+  
341 PCl phosphorus chloride pcl  
342 PCl- phosphorus monochloride anion pcl-  
343 PCl+ phosphorus monochloride cation pcl+  
344 SbF Antimony monofluoride sbf  
345 SbCl Antimony monochloride sbcl  
346 FO- flourine oxide anion fo-  
347 FO+ fluorine monoxide cation fo+  
348 ClO- chlorine monoxide anion clo-  
349 SF- sulfur monofluoride anion sf-  
350 SCl- sulfur monochloride anion scl-  
351 IO Iodine monoxide io  
352 ClF- clorine monofluoride anion clf-  
353 BrF- bromine fluoride anion brf-  
354 BrF+ bromine fluoride cation brf+  
355 BrCl- bromine chloride anion brcl-  
356 BrCl+ bromine chloride cation brcl+  
357 IF Iodine monofluoride if  
358 ICl Iodine monochloride icl  
359 IBr Iodine monobromide ibr  
360 I2 Iodine diatomic i2  
361 I2+ Iodine diatomic cation i2+  
362 CHBr bromomethylene chbr  
363 DOCl Hypochlorous acid-d docl  
364 HOI Hypoiodous acid hoi  
365 FHF Hydrogen difluoride fhf  
366 FHF- Hydrogen difluoride anion fhf-  
367 NH2F monofluoroamine nh2f  
368 H2F2 Hydrogen fluoride dimer h2f2  
369 SiH3Br bromosilane sih3br  
370 CH3I methyl iodide ch3i  
371 SiH3I Silyl Iodide sih3i  
372 Ne2 Neon diatomic ne2  
373 C3+ carbon trimer cation c3+  
374 C3H3 cyclopropenyl radical cpr  
375 C3H3 Propargyl radical propargyl  
376 C3H3- Propargyl anion c3h3-  
377 C3H3+ cyclopropenyl cation cpr+  
378 C3H3+ Propargyl cation c3h3+  
379 C3H5 Allyl radical allyl  
380 C3H5+ Allyl cation allyl+  
381 CH3CHCH 1-propenyl radical ch3chch  
382 Zn(CH3)2 dimethyl zinc dmz  
383 C3H6 Cyclopropane c3h6  
384 CH3CHCH3 Isopropyl radical isopropyl  
385 C3H8 Propane propane  
386 SiH2(CH3)2 dimethylsilane dms  
387 KCN Potassium cyanide kcn  
388 CuCN Copper cyanide cucn  
389 N3- azide anion n3-  
390 HCCN cyanomethylene hccn  
391 HCNN diazomethyl radical hcnn  
392 CH2N2 diazirine ch2n2  
393 CH2NN diazomethane ch2nn  
394 NH2CN cyanamide cyanamide  
395 CH3CN- acetonitrile anion ch3cn-  
396 CH3CN+ Acetonitrile cation ch3cn+  
397 CH3NC methyl isocyanide ch3nc  
398 CHNCH2 2H-Azirine c157164  
399 CHNHCH 1H-Azirine chnhch  
400 H2CCNH Ethenimine ch2cnh  
401 H2CNCH methyleneaminomethylene ch2nch  
402 HCCNH2 Ethynamine hccnh2  
403 NCNH3+ Cyanamide, protonated ncnh3+  
404 CH2CHNH vinylazine ch2chnh  
405 CH3CHN methylmethaniminyl radical ch3chn  
406 NHCHNH2 aminomethanimine cn2h4  
407 C2H5N Aziridine c2h5n  
408 CH2CHNH2 aminoethene aminoethene  
409 CH2NCH3 N-methylmethanimine nmm  
410 CH3CHNH ethanimine ethanimine  
411 NH2BHNH2 diaminoborane nh2bhnh2  
412 C2H5NH+ Protonated Aziridine c2h5nh+  
413 NH2CH2NH2 diaminomethane nh2ch2nh2  
414 CH3NHCH3 Dimethylamine ch3nhch3  
415 CH3PHCH3 dimethylphosphine ch3phch3  
416 NH2CH2NH3+ diaminoethane, protonated pdam  
417 (CH3)2NH2+ dimethylammonium cation dmam  
418 CH3CH2NH3+ ethylamine, protonated pea  
419 Li2O+ dilithium oxide cation li2o+  
420 CNO- fulminate cno-  
421 NCO- cyanate nco-  
422 SCN thiocyanato radical scn  
423 SCN- thiocyanide anion scn-  
424 BO2 Boron dioxide bo2  
425 BO2- Boron dioxide anion bo2-  
426 BO2+ Boron dioxide cation bo2+  
427 N2O+ Nitrous oxide cation n2o+  
428 PPO Phosphorus oxide phosphide ppo  
429 CO2- Carbon dioxide anion co2-  
430 CO2+ Carbon dioxide cation co2+  
431 OCS+ Carbonyl sulfide cation cos+  
432 SiO2 silicon dioxide sio2  
433 CS2+ Carbon disulfide cation cs2+  
434 SiS2 Silicon disulfide sis2  
435 CSe2 Carbon diselenide cse2  
436 SCTe Carbon sulfide Telluride scte  
437 NO2- Nitrogen dioxide anion no2-  
438 PO2 Phosphorus dioxide po2  
439 PO2- Phosphorus dioxide anion po2-  
440 PO2+ Phosphorus dioxide cation po2+  
441 AsO2 Aresenic dioxide aso2  
442 O3- Ozone anion o3-  
443 O3+ Ozone cation o3+  
444 SO2- Sulfur dioxide anion so2-  
445 SO2+ Sulfur dioxide cation so2+  
446 S3- Sulfur trimer anion s3-  
447 TeO2 Tellurium Dioxide teo2  
448 CS2H+ Carbon disulfide, protonated cs2h+  
449 HNCO Isocyanic acid hnco  
450 HOCN cyanic acid hocn  
451 HNCS Isothiocyanic acid hncs  
452 HSCN thiocyanic acid hscn  
453 HCO2- formate anion hco2-  
454 HNNO nitrosoazane hnno  
455 HNNO+ Nitrous oxide, N-protonated hnno+  
456 NNOH+ Nitrous Oxide, O-protonated nnoh+  
457 HOCO+ Hydrocarboxyl cation hoco+  
458 HNO2 Nitrous acid hno2  
459 HNO2+ nitrous acid cation hno2+  
460 SO2H+ protonated sulfur dioxide so2h+  
461 CH2CO+ Ketene cation ch2co+  
462 HCCOH ethynol hccoh  
463 Mg(OH)2 Magnesium dihydroxide h2mgo2  
464 CH2O2 Dioxirane diox  
465 H2O3 Hydrogen trioxide h2o3  
466 HSSSH trisulfane hsssh  
467 NaOCH3 Sodium methoxide naoch3  
468 CH2CHO Vinyloxy radical ch2cho  
469 CH3CO Acetyl radical ch3co  
470 CH3CO- Acetyl anion ch3co-  
471 CH3CO+ acetyl cation ch3co+  
472 CH2NOH formaldoxime ch2noh  
473 CH3NO nitrosomethane ch3no  
474 CHSNH2 thioformamide chsnh2  
475 CH2OOH CH2OOH radical ch2ooh  
476 CH3OO methylperoxy radical ch3oo  
477 CH3OO- methylperoxy anion ch3oo-  
478 CH3OO+ methylperoxy cation ch3oo+  
479 CH2CHOH ethenol ch2choh  
480 CH3CHS Thioacetaldehyde ch3chs  
481 NH3CHO+ Formamide, N-Protonated nh3cho+  
482 CH2(OH)2 methanediol ch2o2h2  
483 CH3OOH Methyl peroxide ch3ooh  
484 H2OH2CO water formaldehyde dimer h2oh2co  
485 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
486 CH3CH2O Ethoxy radical ethoxy  
487 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
488 CH3CHOH+ acetaldehyde, protonated ch3choh+  
489 CH3OCH2 methoxymethyl radical ch3och2  
490 NH2CH2OH aminomethanol nh2ch2oh  
491 CH3CH2OH Ethanol etoh  
492 CH3OCH3 Dimethyl ether meome  
493 CH3SeCH3 dimethylselenide dmse  
494 CH3OHH2O methanol water dimer ch3ohh2o  
495 H2OCH3OH water methanol dimer h2och3oh  
496 CuF2 Copper difluoride cuf2  
497 ZnF2 Zinc difluoride znf2  
498 FCN Cyanogen fluoride fcn  
499 ClCN chlorocyanogen clcn  
500 ICN Cyanogen iodide icn  
501 BeF2 Beryllium fluoride bef2  
502 BeCl2 Beryllium chloride becl2  
503 MgCl2 Magnesium dichloride mgcl2  
504 CaCl2 Calcium Chloride cacl2  
505 ZnCl2 Zinc dichloride zncl2  
506 CaBr2 Calcium dibromide cabr2  
507 CaF2 Calcium difluoride caf2  
508 BrNO Nitrosyl bromide brno  
509 INO Nitrosyl iodide ino  
510 CF2- Difluoromethylene anion cf2-  
511 CF2+ Difluoromethylene cation cf2+  
512 SiF2+ Silicon difluoride cation sif2+  
513 CCl2 dichloromethylene ccl2  
514 CCl2- dichloromethylene anion ccl2-  
515 CCl2+ dichloromethylene cation ccl2+  
516 SiCl2 Dichlorosilylene sicl2  
517 CBr2 dibromomethylene cbr2  
518 FOO Dioxygen monofluoride radical foo  
519 ClOO chloroperoxy radical cloo  
520 ClOO+ chloroperoxy cation cloo+  
521 OClO+ Chlorine dioxide cation oclo+  
522 ClS2 Sulfur chloride cls2  
523 OBrO Bromine dioxide radical obro  
524 NF2 Difluoroamino radical nf2  
525 NF2+ Difluoroamino cation nf2+  
526 F2O Difluorine monoxide f2o  
527 SF2+ sulfur difluoride cation sf2+  
528 Cl2O Dichlorine monoxide cl2o  
529 BrOCl Bromine hypochlorite brocl  
530 BrOBr Bromine oxide brobr  
531 F3- trifluoride anion f3-  
532 Cl3- trichloride anion cl3-  
533 I3- triiodide i3-  
534 HCCF+ fluoroacetylene cation hccf+  
535 HCCCl Chloroacetylene hcccl  
536 HCCBr bromoacetylene hccbr  
537 HFCO formyl fluoride hfco  
538 HFCO+ formyl fluoride cation hfco+  
539 COHCl Formyl chloride cohcl  
540 COHBr Formyl bromide cohbr  
541 BHF2 Difluoroborane bhf2  
542 BHCl2 Borane, dichloro- bhcl2  
543 CHCl2 dichloromethyl radical chcl2  
544 CHBr2 dibromomethyl radical chbr2  
545 HOClO Chlorous acid hoclo  
546 CH2FCl fluorochloromethane ch2fcl  
547 CH2BrF Methane, bromofluoro- ch2fbr  
548 CH2FI fluoroiodomethane ch2fi  
549 CH2ClI chloroiodomethane ch2cli  
550 CH2BrI bromoiodomethane ch2bri  
551 CH2I2 Diiodomethane ch2i2  
552 SiH2Cl2 dichlorosilane sih2cl2  
553 CH2CHF+ fluoroethene cation ch2chf+  
554 C2H3Cl Ethene, chloro- ch2chcl  
555 C2H3Br vinyl bromide c2h3br  
556 C2H3I Vinyl iodide c2h3i  
557 CH3OCl methyl hypochlorite ch3ocl  
558 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
559 CHClCH3 1-chloroethyl radical chclch3  
560 C2H5F fluoroethane c2h5f  
561 CH3CH2Cl Ethyl chloride c2h5cl  
562 CH3SiFH2 fluoromethylsilane ch3sifh2  
563 C2H5Br Ethyl bromide etbr  
564 C2H5I Ethyl iodide c2h5i  
565 XeF2 Xenon difluoride xef2  
566 B4H10 Tetraborane(10) b4h10  
567 C4+ Carbon tetramer cation c4+  
568 C4H2 Diacetylene c4h2  
569 C4H2+ diacetlyene cation c4h2+  
570 C2H3CCH 1-Buten-3-yne c2h3cch  
571 H2CCCCH2 Butatriene h2cccch2  
572 C4H6 1-Methylcyclopropene c3100047  
573 C4H6 Cyclobutene c822355  
574 C4H6 Methylenecyclopropane c6142730  
575 CH2CCHCH3 1,2-Butadiene butad12  
576 CH2CHCHCH2 1,3-Butadiene c106990  
577 CH3CCCH3 2-Butyne c503173  
578 CHCCH2CH3 1-Butyne c107006  
579 CH3CHCHCH2 methylallyl radical c4h7  
580 C4H8 methylcyclopropane mcp  
581 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
582 CH2CHCH2CH3 1-Butene bute1  
583 CH3CHCHCH3 2-Butene, (E)- bute2e  
584 CH3CHCHCH3 2-Butene, (Z)- bute2z  
585 B(CH3)3 trimethylborane bme3  
586 Al(CH3)3 trimethyl aluminum tma  
587 C(CH3)3 Tert-butyl radical tbutyl  
588 CH2CH(CH3)2 Isobutyl radical isobutyl  
589 CH3CHCH2CH3 2-Butyl radical butyl2  
590 CH3CH(CH3)CH3 Isobutane isobutane  
591 SiH(CH3)3 trimethylsilane trimsi  
592 C2N2+ Cyanogen cation c2n2+  
593 P4 Phosphorus tetramer p4  
594 HCCCN Cyanoacetylene hcccn  
595 C3H3N acrylonitrile ch2chcn  
596 C3H3N+ acrylonitrile cation ch2chcn+  
597 CH3N3 methyl azide ch3n3  
598 NH2CCNH2 Diaminoacetylene daa  
599 NH2CH2CN Aminoacetonitrile aan  
600 CH3NHN2+ methyl azide, protonated ch3nhn2+  
601 C2H5CN ethyl cyanide c2h5cn  
602 CH5N3 Guanidine guanidine  
603 C4H6 Bicyclo[1.1.0]butane c157335  
604 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
605 H2NCHCHNH2 diaminoethylene dae  
606 CH6N3+ guanidinium ch6n3+  
607 C3H7N Cyclopropylamine cpram  
608 C3H7N Azetidine azet  
609 C4H8 cyclobutane cbutane  
610 C2H8N2 Ethylenediamine ethdiam  
611 CH3NHNHCH3 dimethyl hydrazine dmh  
612 CH3CH(NH2)CH3 2-Propanamine pram2  
613 N(CH3)3 Trimethylamine trimeam  
614 NH2CH2CH2CH3 1-Propanamine pram1  
615 P(CH3)3 trimethylphosphine tmp  
616 As(CH3)3 trimethyl arsine tmas  
617 (CH3)3NH+ protonated trimethyl amine ptma  
618 C3H7NH3+ n-propylamine, protonated c3h7nh2  
619 Li2O2 dilithium dioxide li2o2  
620 K2O2 dipotassium dioxide k2o2  
621 B2O2 Diboron dioxide b2o2  
622 CO3 Carbon trioxide co3  
623 CO3-- carbonate co3--  
624 CS3-- Carbonotrithioate cs3--  
625 NO3 Nitrogen trioxide no3  
626 NO3+ nitrogen trioxide cation no3+  
627 SO3- Sulfur trioxide anion so3-  
628 SO3+ Sulfur trioxide cation so3+  
629 SeO3 selenium trioxide seo3  
630 TeO3 Tellurium trioxide teo3  
631 HCO3- bicarbonate anion hco3-  
632 HSO3 Hydroxysulfonyl radical hso3  
633 NH2NO2 nitramide nh2no2  
634 C2H2CO cyclopropenone c2h2co  
635 HCCCHO 2-propynal hcccho  
636 C2H2O2+ Ethanedial cation c2h2o2+  
637 H2CO3 Carbonic acid h2co3  
638 H2CS3 thiocarbonic acid h2cs3  
639 H2NO3+ Nitric Acid, Protonated h2no3+  
640 H2SO3 Sulfurous acid h2so3  
641 CH3NCO methylisocyante ch3nco  
642 HOCH2CN cyanomethanol hoch2cn  
643 CH3COO- acetate anion ch3coo-  
644 CH3ONO Methyl nitrite ch3ono  
645 NH2COOH Carbamic acid nh2cooh  
646 H3BO3 Boric acid h3bo3  
647 H3CO3+ carbonic acid, protonated h3co3+  
648 C3H4O 2-Propyn-1-ol c107197  
649 C3H4O allenol c9000071  
650 C3H4O Cyclopropanone cpone  
651 C3H4O Methylketene c6004440  
652 NH2CONH2+ Urea cation urea+  
653 NH2CSNH2 Thiourea thiourea  
654 C2H4O2 1,3-dioxetane c2h4o2  
655 CH3COOH Acetic acid ch3cooh  
656 CH3OCHO methyl formate ch3ocho  
657 CHOCH2OH hydroxy acetaldehyde haa  
658 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
659 NH3COOH+ protonated Carbamic acid nh3cooh+  
660 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
661 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
662 HCOOHH2O Formic acid water dimer hcoohh2o  
663 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
664 CH2C(OH)NH2 1-amino vinyl alchohol ava  
665 CH3C(OH)=NH Ethaninidic acid eia  
666 CH3CHNOH Acetaldoxime acetaldoxime  
667 CH3CONH2 Acetamide acetamide  
668 HCONHCH3 N-methylformamide nmfa  
669 CH3CSNH2 Ethanethioamide ch3csnh2  
670 CH5N2O+ urea, N-protonated ch4n2o+  
671 H2NCOHNH2+ urea, protonated ureah+  
672 C2H5OO ethylperoxy radical c2h5oo  
673 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
674 C3H5OH Cyclopropanol cproh  
675 C3H6O 2-Propen-1-ol c107186  
676 C3H6O Acetone enol enol  
677 C3H6O Oxetane oxetane  
678 C3H6O Propylene oxide prox  
679 CH3COCH3 Acetone acetone  
680 CH3COCH3- acetone anion ch3coch3-  
681 C3H6S Thietane thietane  
682 C3H6S Thiirane, methyl- methiirane  
683 CH3CSCH3 Thioacetone ch3csch3  
684 C2H6O2 1,2-Ethanediol ethdiol  
685 CH3OOCH3 dimethylperoxide dmp  
686 CH3SOCH3 Dimethyl sulfoxide dmso  
687 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
688 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
689 CH3COHCH3+ acetone, protonated acetoneh+  
690 HOCH2CH2NH2 monoethanolamine mea  
691 C3H7OH 1-Propanol proh  
692 CH3CHOHCH3 Isopropyl alcohol isoproh  
693 CH3OC2H5 Ethane, methoxy- etome  
694 C3H7SH 1-Propanethiol prsh  
695 CH3CHSHCH3 2-Propanethiol isoprsh  
696 CH3SCH2CH3 Ethane, (methylthio)- etsme  
697 H2OCH3OCH3 water dimethylether dimer h2och3och3  
698 Na2F2 Sodium Fluoride Dimer na2f2  
699 Na2Cl2 Disodium dichloride na2cl2  
700 C2F2 difluoroacetylene c2f2  
701 C2Cl2 dichloroacetylene c2cl2  
702 C2Cl2+ dichloroacetylene cation c2cl2+  
703 FNO2 Nitryl fluoride fno2  
704 FONO Nitrosyl hypofluorite fono  
705 ClNO2 Nitryl chloride clno2  
706 ClONO chlorine nitrite clono  
707 BrONO Bromine nitrite brono  
708 N2F2 (Z)-Difluorodiazene n2f2_z  
709 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
710 COFCl Carbonic chloride fluoride cofcl  
711 CCl2O Phosgene cl2co  
712 Cl2CS Thiophosgene cl2cs  
713 COBr2 Carbonic dibromide cobr2  
714 BF3- Borane, trifluoro- anion bf3-  
715 BClF2 Chlorodifluoroborane bclf2  
716 AlF2Cl Aluminum chloride difluoride alclf2  
717 ScF3 Scandium trifluoride ScF3  
718 AlFCl2 Aluminum dichloride fluoride alcl2f  
719 AlCl3 Aluminum trichloride alcl3  
720 BBr3 Boron tribromide bbr3  
721 AlBr3 Aluminum Bromide albr3  
722 ClO3 Chlorine trioxide clo3  
723 ClO3- chlorate anion clo3-  
724 BrO3- Bromate anion bro3-  
725 CF3 Trifluoromethyl radical cf3  
726 CF3- Trifluoromethyl anion cf3-  
727 CF3+ Trifluoromethyl cation cf3+  
728 SiF3 Silicon trifluoride radical sif3  
729 SiF3+ Silicon trifluoride cation sif3+  
730 CCl3 Trichloromethyl radical ccl3  
731 CCl3- Trichloromethyl anion ccl3-  
732 CCl3+ Trichloromethyl cation ccl3+  
733 SiCl3 trichlorosilyl radical sicl3  
734 SiCl3+ trichlorosilyl cation sicl3+  
735 CBr3 tribromomethyl radical cbr3  
736 FOOF Perfluoroperoxide foof  
737 F2SO Thionyl Fluoride f2so  
738 ClOOCl Dichlorine dioxide cloocl  
739 FSSF Difluorodisulfane fssf  
740 S2F2 Thio-thionyl fluoride s2f2  
741 SOCl2 thionyl chloride socl2  
742 SeOCl2 selenium oxychloride seocl2  
743 NF3- Nitrogen trifluoride anion nf3-  
744 NF3+ Nitrogen trifluoride cation nf3+  
745 PF3 Phosphorus trifluoride pf3  
746 AsF3 Arsenic trifluoride asf3  
747 PCl3 Phosphorus trichloride pcl3  
748 SbF3 Antimony Trifluoride sbf3  
749 AsCl3 Arsenous trichloride ascl3  
750 SbCl3 Antimony Trichloride sbcl3  
751 PBr3 Phosphorus tribromide pbr3  
752 AsBr3 Arsenic tribromide asbr3  
753 NI3 Nitrogen triiodide ni3  
754 PI3 Phosphorus triiodide pi3  
755 ClSSCl Disulfur dichloride s2cl2  
756 ClF3 Chlorine trifluoride clf3  
757 BrF3 Bromine trifluoride brf3  
758 IF3 iodone trifluoride if3  
759 CHF2Cl difluorochloromethane chf2cl  
760 CHFCl2 fluorodichloromethane chfcl2  
761 CDCl3 trichloromethane-d cdcl3  
762 CHCl3 Chloroform chcl3  
763 SiHCl3 Trichlorosilane sihcl3  
764 CHFClBr fluorochlorobromomethane chfclbr  
765 CHF2I difluoroiodomethane chf2i  
766 CHBr2F dibromofluoromethane chbr2f  
767 CHFClI fluorochloroiodomethane chfcli  
768 CHCl2I dichloroiodomethane chcl2i  
769 CHClBr2 Methane, dibromochloro- chclbr2  
770 CHBr3 bromoform chbr3  
771 CHI3 Iodoform chi3  
772 NF3H+ protonated nitrogen trifluoride nf3h+  
773 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
774 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
775 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
776 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
777 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
778 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
779 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
780 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
781 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
782 C2H2Br2 1,1-dibromoethene c2h2br2  
783 CH2FCHO Fluoroacetaldehyde ch2fcho  
784 CH3COF Acetyl fluoride ch3cof  
785 CH2ClCHO chloroacetaldehyde ch2clcho  
786 CH3COCl Acetyl Chloride ch3cocl  
787 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
788 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
789 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
790 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
791 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
792 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
793 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
794 CH2CFCH3 2-fluoropropene 2fpro  
795 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
796 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
797 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
798 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
799 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
800 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
801 CH2FCH2CH3 1-Fluoropropane prf1  
802 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
803 CH3CHClCH3 Propane, 2-chloro- prcl2  
804 CH3CH2CH2Br n-propyl bromide prbr  
805 CH3CHBrCH3 i-propyl bromide iprbr  
806 C3H9O+ trimethyl oxonium cation c3h9o+  
807 B5H9 pentaborane9 b5h9  
808 C5H4 pentatetraene ptrene  
809 C5H5 cyclopentadienyl radical c5h5  
810 C5H5- cylopentadienyl anion c5h5-  
811 C5H6 1,3-Cyclopentadiene c542927  
812 C5H6 1-Buten-3-yne, 2-methyl- c78808  
813 C5H6 3-Penten-1-yne, (E)- c2004695  
814 C5H6 3-Penten-1-yne, (Z)- c1574409  
815 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
816 C5H6 Cyclopropylacetylene c6746947  
817 C5H6 Propellane propellane  
818 C5H7 1,3-pentadienyl radical pdyl  
819 C5H7 cyclopentenyl radical cpyl  
820 C5H8 1,2-Butadiene, 3-methyl- c598254  
821 C5H8 1,2-Pentadiene c591957  
822 C5H8 1,3-Butadiene, 2-methyl- c78795  
823 C5H8 1,3-Pentadiene, (E)- c2004708  
824 C5H8 1,3-Pentadiene, (Z)- c1574410  
825 C5H8 1,4-Pentadiene c591935  
826 C5H8 1-pentyne a1pentyne  
827 C5H8 2,3-Pentadiene c591968  
828 C5H8 Bicyclo[1.1.1]pentane bcp  
829 C5H8 Cyclobutane, methylene- c1120565  
830 C5H8 Cyclopentene c142290  
831 C5H8 Ethenylcyclopropane c693867  
832 CH3CCCH2CH3 2-Pentyne 2pentyne  
833 C5H10 1-Butene, 2-methyl- c563462  
834 C5H10 2-Butene, 2-methyl- c513359  
835 C5H10 2-Pentene, (E)- c646048  
836 C5H10 2-Pentene, (Z)- c627203  
837 C5H10 Cyclopentane c287923  
838 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
839 CH2CHCH2CH2CH3 1-pentene pentene  
840 C5H11 2-Methylbut-2-yl radical c4348350  
841 C5H12 Butane, 2-methyl- buta2  
842 C5H12 Pentane pentane  
843 C5H12 Propane, 2,2-dimethyl- neopentane  
844 Si(CH3)4 tetramethylsilane tms  
845 N2O3 Dinitrogen trioxide n2o3  
846 C3H2N2 Malononitrile c3h2n2  
847 CH2N4 1H-Tetrazole 1htz  
848 C3H3N2 imidazolyl radical im  
849 C3H3N2- imidizolyl anion im-  
850 C2H3N3 1H-1,2,4-Triazole c288880  
851 C4H4N pyrrolide radical c4h4n  
852 C4H4N- pyrrolide anion c4h4n-  
853 C3H4N2 1H-Imidazole 1himidaz  
854 C3H4N2 1H-Pyrazole 1hpyraz  
855 C3H4N2 2H-Imidazole imid2h  
856 C3H4N2 4H-Imidazole imid4h  
857 C4H5N (E)-2-Butenenitrile c627269  
858 C4H5N (Z)-2-Butenenitrile c1190767  
859 C4H5N 2H-pyrrole pyrrole2  
860 C4H5N 3H-pyrrole pyrrole3  
861 C4H5N Cyclopropanecarbonitrile c5500210  
862 C4H5N Pyrrole pyrrole  
863 CH2CHCH2CN Allylcyanide ch2chch2cn  
864 C4H6N+ pyrrole, alpha-protonated appyr  
865 C4H6N+ pyrrole, beta-protonated bppyr  
866 C4H6N+ pyrrole, protonated ppyr  
867 C3H6N2 3-Aminopropionitrile c151188  
868 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
869 CH3CH2CH2CN Butanenitrile c109740  
870 C5H8 Bicyclo[2.1.0]pentane c185944  
871 C5H8 Spiropentane c157404  
872 C4H9N Cyclobutylamine cbam  
873 C4H9N Pyrrolidine pyrrolidine  
874 C3H10N2 1,2-Diaminopropane diampr12  
875 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
876 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
877 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
878 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
879 NH(C2H5)2 diethylamine dea  
880 NC4H12+ tetramethyl ammonium cation nc4h12+  
881 C3O2+ Carbon suboxide cation c3o2+  
882 MgCO3 Magnesium Carbonate mgco3  
883 BeCO3 Beryllium Carbonate beco3  
884 CaCO3 Calcium Carbonate caco3  
885 ONONO Nitrosyl nitrite onono  
886 PO4--- phosphate po4---  
887 SO4-- sulfate so4--  
888 HOONO2 peroxy nitric acid hoono2  
889 HSO4- bisulfate anion hso4-  
890 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
891 C3H2O2 Propiolic acid c3h2o2  
892 CHOCOOH oxo acetic acid oaa  
893 CHOOCHO diformyl ether choocho  
894 H2SO4 Sulfuric acid h2so4  
895 H2SeO4 Selenic acid h2seo4  
896 C3H3NO Oxazole oxazole  
897 C3H3NS Thiazole thiazole  
898 CH3C(O)OO acetyl peroxy radical ch3coo2  
899 CH3NO3 Methyl nitrate ch3no3  
900 H3PO4 Phosphoric Acid h3po4  
901 C4H4O Furan furan  
902 C4H4O+ Furan cation furan+  
903 CH3COCCH 3-butyn-2-one c1423605  
904 C4H4S Thiophene furans  
905 C4H4Se selenophene c4h4se  
906 C3H4O2 β–Propiolactone beta  
907 C3H4O2 2-Propenoic acid propenoic2  
908 C3H4O2 Methyl glyoxal megly  
909 C3H4O2 propanedial propanedial  
910 C3H4O2 propenalol propenalol  
911 HOCHCCHOH allenediol aldiol  
912 C2H4O3 1,2,3-trioxolane c2h4o3  
913 C2H4O3 trioxolane124 triox  
914 HOCH2COOH Hydroxyacetic acid hac  
915 CH2CHCONH2 Acrylamide c79061  
916 CH3OCH2CN Methoxyacetonitrile c1738369  
917 CH5N3S Hydrazinecarbothioamide c79196  
918 H2NCH2COOH Glycine glycine  
919 CH3SO2NH2 methanesulfonamide ch3so2nh2  
920 C4H6O cis-2-butenal butenal2c  
921 C4H6O Cyclobutanone cbutone  
922 C4H6O Furan, 2,3-dihydro- furan23h  
923 C4H6O Furan, 2,5-dihydro- furan25h  
924 CH2CHOCHCH2 Vinyl ether vinylether  
925 CHOCHCHCH3 2-Butenal butenal2  
926 C4H6S Thiophene, 2,3-dihydro- thiop23h  
927 C4H6S Thiophene, 2,5-dihydro- thiop25h  
928 CH2CHSCHCH2 Divinyl sulfide divis  
929 C2H6N2O Urea, methyl- c598505  
930 C3H6O2 1,3-Dioxolane dioxolane  
931 CH3CH2COOH Propanoic Acid propanoic  
932 CH3COOCH3 methyl acetate aame  
933 HCOOC2H5 Ethyl formate faee  
934 C2H6O2S Dimethyl sulfone c67710  
935 CH3SSSCH3 dimethyl trisulfide c2h6s3  
936 C3H7NO dimethylformamide dmf  
937 C3H7NO Propanamide propanam  
938 C2H3OC2H5 Ethene, ethoxy- c109922  
939 C4H8O Cyclobutanol c2919235  
940 C4H8O Furan, tetrahydro- thf  
941 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
942 CH3COCH2CH3 2-Butanone buta2one  
943 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
944 CHOCH2CH2CH3 Butanal butanal  
945 C4H8S Thiophene, tetrahydro- tht  
946 C3H8O2 1,3-Propanediol c504632  
947 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
948 C3H8O2 Methane, dimethoxy- c109875  
949 C3H8O2 Propylene glycol c57556  
950 C3H8S2 1,3-Propanedithiol c109808  
951 C4H10O 1-Butanol butanol1  
952 C4H10O 1-Propanol, 2-methyl- c78831  
953 C4H10O 2-Butanol, (.+/-.)- butanol2  
954 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
955 C4H10O Ethoxy ethane etoet  
956 C4H10O Methyl propyl ether meopr  
957 C4H10O Propane, 2-methoxy- c598538  
958 C4H10O+ 1-Butanol cation butanol1+  
959 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
960 C2H5SC2H5 Diethyl sulfide etset  
961 C4H9SH 1-Butanethiol bush  
962 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
963 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
964 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
965 FNO3 Fluorine nitrate fno3  
966 ClONO2 Chlorine nitrate clono2  
967 BrONO2 Bromine nitrate brono2  
968 TiCl4 Titanium tetrachloride ticl4  
969 ClO4- perchlorate anion clo4-  
970 BF4- tetrafluoroboron anion bf4-  
971 ClFO3 Perchloryl fluoride clfo3  
972 SO2F2 Sulfuryl fluoride so2f2  
973 SO2Cl2 Sulfuryl chloride so2cl2  
974 F3NO Nitrogen trifluoride oxide f3no  
975 F3PO Phosphoryl fluoride pf3o  
976 Cl3PO Phosphoryl chloride pcl3o  
977 CF4 Carbon tetrafluoride cf4  
978 SiF4 Silicon tetrafluoride sif4  
979 TiF4 Titanium tetrafluoride tif4  
980 CFCl3 Trichloromonofluoromethane cfcl3  
981 CF3Br Bromotrifluoromethane cf3br  
982 GeF4 Germanium tetrafluoride gef4  
983 CCl4 Carbon tetrachloride ccl4  
984 CCl4+ Carbon tetrachloride cation ccl4+  
985 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
986 SiCl4 Silane, tetrachloro- sicl4  
987 CBrCl2F bromodichlorofluoromethane cbrcl2f  
988 CF3I trifluoroiodomethane cf3i  
989 CBrCl3 Methane, bromotrichloro- cbrcl3  
990 CBr2F2 Methane, dibromodifluoro- cbr2f2  
991 GeCl4 Germanium Tetrachloride gecl4  
992 CBr2ClF dibromochlorofluoromethane cbr2clf  
993 CBr2Cl2 dibromodichloromethane cbr2cl2  
994 CCl3I trichloroiodomethane ccl3i  
995 CFBr3 fluorotribromomethane cfbr3  
996 CFClBrI fluorochlorobromoiodomethane cfclbri  
997 CBr3Cl tribromochloromethane cbr3cl  
998 CF2I2 difluorodiiodomethane cf2i2  
999 CBr4 Carbon tetrabromide cbr4  
1000 CCl2I2 dichlorodiiodomethane ccl2i2  
1001 SiBr4 Silicon tetrabromide sibr4  
1002 CBr3I tribromoiododmethane cbr3i  
1003 GeBr4 Germanium tetrabromide gebr4  
1004 CI4 tetraiodomethane ci4  
1005 SiI4 silicon tetraiodide sii4  
1006 ClOF3 Chlorine trifluoride oxide clof3  
1007 SeF4 Selenium tetrafluoride sef4  
1008 SCl4 Sulfur tetrachloride scl4  
1009 C2HF3 Trifluoroethylene c2hf3  
1010 C2HF3+ Trifluoroethylene cation c2hf3+  
1011 CHClCCl2 Trichloroethylene chclccl2  
1012 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1013 HClO4 perchloric acid hclo4  
1014 HSO3F Fluorosulfonic acid hso3f  
1015 CF3OH trifluoromethanol cf3oh  
1016 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1017 CHClCCHCl 1,3-dichloroallene chclcchcl  
1018 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1019 CHCl2CHO dichloroacetaldehyde chcl2cho  
1020 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1021 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1022 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1023 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1024 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1025 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1026 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1027 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1028 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1029 NH3BCl3 Amminetrichloroboron nh3bcl3  
1030 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1031 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1032 C3H5ClO Oxirane, (chloromethyl)- c106898  
1033 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1034 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1035 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1036 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1037 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1038 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1039 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1040 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1041 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1042 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1043 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1044 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1045 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1046 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1047 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1048 C4H9F 1-fluorobutane butaf1  
1049 CH3CHFCH2CH3 2-fluorobutane butaf2  
1050 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1051 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1052 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1053 XeF4 Xenon tetrafluoride xef4  
1054 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1055 NH3BF3 Amminetrifluoroboron nh3bf3  
1056 C6H2 hexatriyne c6h2  
1057 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1058 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1059 C6H4 Benzyne benzyne  
1060 C6H5 phenyl phenyl  
1061 C6H5- phenyl anion phenyl-  
1062 C6H6 Prismane prismane  
1063 C6H6 1,2,4,5-Hexatetraene ht1245  
1064 C6H6 2,4-Hexadiyne hexadiyne  
1065 C6H6 3,4-Dimethylenecyclobutene cb34m  
1066 C6H6 Benzene benzene  
1067 C6H6 Benzvalene bv  
1068 C6H6 Dewar Benzene dewar  
1069 C6H6 Hexa-1,5-diene-3-yne hdy153  
1070 C6H6 Trimethylenecycopropane tmcp  
1071 C6H6+ Benzene cation c6h6+  
1072 C6H7+ benzene, protonated c6h7+  
1073 C6H8 (E)-hexa-1,3,5-triene c821078  
1074 C6H8 (E)-hexa-2,3,4-triene c59660650  
1075 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1076 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1077 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1078 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1079 C6H8 3-Methylenecyclopentene c930267  
1080 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1081 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1082 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1083 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1084 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1085 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1086 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1087 C6H10 1,5-Hexadiene c592427  
1088 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1089 C6H10 1-Hexyne hexyne1  
1090 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1091 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1092 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1093 C6H10 2-Hexyne c764352  
1094 C6H10 3-Hexyne hexyne3  
1095 C6H10 cyclohexene cyclohexene  
1096 C6H10 Cyclopentene, 1-methyl- c693890  
1097 C6H10 Cyclopentene, 3-methyl- c1120623  
1098 C6H10 Cyclopentene, 4-methyl- c1759815  
1099 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1100 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1101 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1102 C6H12 (E)-2-Hexene e2hexene  
1103 C6H12 (E)-3-methylpent-2-ene c616126  
1104 C6H12 (E)-hex-3-ene e3hexene  
1105 C6H12 (Z)-3-methylpent-2-ene c922623  
1106 C6H12 (Z)-hex-2-ene z2hexene  
1107 C6H12 (Z)-hex-3-ene z3hexene  
1108 C6H12 2,3-dimethylbut-1-ene c563780  
1109 C6H12 2,3-dimethyl-but-2-ene tmeet  
1110 C6H12 3-methylenepentane c760214  
1111 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1112 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1113 C6H12 Cyclohexane cyclohexane  
1114 C6H12 Cyclopentane, methyl- c96377  
1115 C6H12 Ethylcyclobutane c4806615  
1116 C6H12 hex-1-ene hexene1  
1117 C6H14 Butane, 2,2-dimethyl- buta22  
1118 C6H14 Butane, 2,3-dimethyl- buta23  
1119 C6H14 Hexane hexane  
1120 C6H14 Pentane, 2-methyl- penta2  
1121 C6H14 Pentane, 3-methyl- penta3  
1122 C4N2 2-Butynedinitrile c4n2  
1123 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1124 C4H2N2 Fumaronitrile c4h2n2  
1125 C2H2N4 sym-tetrazine ttz  
1126 C3H3N3 1,3,5-Triazine triazine135  
1127 CH3N5 5-Aminotetrazole c4418615  
1128 C4H4N2 1,3-Diazine diazine13  
1129 C4H4N2 Pyrazine pyrazine  
1130 C4H4N2 Pyridazine pyridazine  
1131 C4H4N2 Succinonitrile c110612  
1132 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1133 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1134 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1135 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1136 C5H5N E-2,4-pentadienenitrile bdcn  
1137 C5H5N Pyridine pyridine  
1138 B3N3H6 borazine borazine  
1139 C6H6 Fulvene fulvene  
1140 C5H6N+ Pyridinium c5h6n  
1141 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1142 C5H7N (E)-2-Pentenenitrile c26294984  
1143 C5H7N (E)-3-Pentenenitrile c16529661  
1144 C5H7N (Z)-2-Pentenenitrile c25899507  
1145 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1146 C5H7N Cyclobutanecarbonitrile c4426113  
1147 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1148 C5H9N Butanenitrile, 2-methyl- c18936179  
1149 C5H9N Pentanenitrile c110598  
1150 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1151 C6H10 Bicyclo[3.1.0]hexane c285585  
1152 C5H11N Cyclopentanamine cypentam  
1153 C5H11N Piperidine piper  
1154 C4H12N2 1,2-Butanediamine c4426486  
1155 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1156 Li2CO3 Lithium Carbonate li2co3  
1157 Na2CO3 Sodium Carbonate na2co3  
1158 C2O4-- oxalate anion c2o4  
1159 MgSO4 Magnesium Sulfate mgso4  
1160 C2H2O4 Oxalic Acid oxalic  
1161 C2H3NO3 Oxamic acid oxamic  
1162 C4H4O2 2(5H)-Furanone furanone  
1163 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1164 C2H4N2O2 Oxalamide oxalamide  
1165 C2H4N2S2 Ethanedithioamide c79403  
1166 C2H4CO3 Ethylene carbonate etco3  
1167 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1168 C3H4S3 1,3-Dithiolane-2-thione c822388  
1169 C2H4O4 Formic acid dimer fadimer  
1170 C4H5NO 3-Methylisoxazole isox3m  
1171 C4H5NO Isoxazole, 5-methyl- c5765446  
1172 C4H5NS 4-Methylthiazole c693958  
1173 C2H5NO3 Nitric acid, ethyl ester c625581  
1174 C5H6O 2H-Pyran pyran2  
1175 C5H6O 2-methylfuran furan2m  
1176 C5H6O 3-Methylfuran furan3m  
1177 C5H6O Pentadienal pdal  
1178 C5H6S Thiophene, 2-methyl- c554143  
1179 C5H6S Thiophene, 3-methyl- c616444  
1180 C4H6O2 2,3-Butanedione c431038  
1181 C4H6O2 2-Propenoic acid, methyl ester c96333  
1182 C4H6O2 Crotonic Acid crot  
1183 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1184 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1185 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1186 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1187 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1188 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1189 C4H6OS Vinyl sulfoxide c1115157  
1190 CH6N4S Carbonothioic dihydrazide thiacarb  
1191 C2H6N2O2 (E)-Azodioxymethane c37765154  
1192 C2H6N2O2 Dimethylnitroamine c4164287  
1193 C3H6S3 1,3,5-Trithiane c3h6s3  
1194 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1195 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1196 C4H7NO 2-Pyrrolidinone c616455  
1197 C4H7NO Ethoxyacetonitrile etoaccn  
1198 C4H7NO Methacrylamide c79390  
1199 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1200 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1201 C3H7ONO Propyl nitrite prono  
1202 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1203 CH3CH(NH2)COOH Alanine alanine  
1204 CH3NHCH2COOH Sarcosine sarcosine  
1205 NH2CH2CH2COOH β–alanine betaalanine  
1206 NH2COOC2H5 Urethane urethane  
1207 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1208 C5H8O Cyclopentanone c120923  
1209 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1210 C5H8O Methyl cyclopropyl ketone c765435  
1211 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1212 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1213 NH2CONHC2H5 Urea, ethyl- c625525  
1214 C4H8O2 1,3-Dioxane dioxan13  
1215 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1216 C4H8O2 1,4-Dioxane dioxan14  
1217 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1218 C4H8O2 Ethyl acetate c141786  
1219 C4H8OS s-Ethyl thioacetate c625605  
1220 C3H8O3 1,2,3-Propanetriol glycerin  
1221 C3H8O2S (Methylsulfonyl)ethane c594434  
1222 C4H9NO Butanamide c541355  
1223 C4H9NO Propanamide, 2-methyl- c563837  
1224 C5H10O 2-Butanone, 3-methyl- c563804  
1225 C5H10O 2H-Pyran, tetrahydro- c142687  
1226 C5H10O 2-methylbutyraldehyde 2meba  
1227 C5H10O 2-Pentanone mpk  
1228 C5H10O 3-Pentanone dek  
1229 C5H10O Cyclopentanol c96413  
1230 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1231 C5H10O Pentanal pal  
1232 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1233 C5H10S 3-Ethylthio-1-propene c5296628  
1234 C5H10S Cyclopentanethiol c1679078  
1235 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1236 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1237 C4H10O2 1,1-Dimethoxyethane c534156  
1238 C4H10O2 1,3-Butanediol budiol13  
1239 C4H10O2 1,4-Butanediol budiol14  
1240 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1241 C4H10OS Diethyl sulfoxide c70291  
1242 C4H10S2 1,4-Butanedithiol budisl14  
1243 C4H11NO Diethylhydroxylamine c3710847  
1244 C5H12O 1-Butanol, 2-methyl- c137326  
1245 C5H12O 1-Butanol, 3-methyl- c123513  
1246 C5H12O 1-Pentanol pentanol1  
1247 C5H12O 2-Butanol, 3-methyl- c598754  
1248 C5H12O 2-Pentanol peol2  
1249 C5H12O 3-Pentanol pentan3ol  
1250 C5H12O Butane, 1-methoxy- meobu  
1251 C5H12O Propane, 1-ethoxy- proet  
1252 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1253 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1254 C5H12S 1-Butanethiol, 3-methyl- c541311  
1255 C5H12S 1-Pentanethiol c110667  
1256 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1257 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1258 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1259 C5H12S Butane, 1-(methylthio)- c628295  
1260 C5H12S Ethyl propyl sulfide c4110503  
1261 C5H12S Propane, 2-(ethylthio)- c5145993  
1262 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1263 C4F2 difluorobutadiyne c4f2  
1264 ClCOClCO Oxalyl chloride oxcl  
1265 CF3CN Acetonitrile, trifluoro- cf3cn  
1266 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1267 B2F4 Diboron tetrafluoride b2f4  
1268 B2Cl4 Diboron tetrachloride b2cl4  
1269 C2F4 Tetrafluoroethylene c2f4  
1270 C2F4+ Tetrafluoroethylene cation c2f4+  
1271 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1272 CF2CCl2 difluorodichloroethylene cf2ccl2  
1273 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1274 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1275 C2FCl3 fluorotrichloroethene c2fcl3  
1276 C2Cl4 Tetrachloroethylene c2cl4  
1277 C2Br4 tetrabromoethene c2br4  
1278 CF3OF Trifluoromethylhypofluorite cf3of  
1279 SiF5- silicon pentafluoride anion sif5-  
1280 SOF4 Sulfur tetrafluoride oxide sof4  
1281 AsF5 Arsenic pentafluoride asf5  
1282 PCl5 Phosphorus pentachloride pcl5  
1283 SF5 Sulfur pentafluoride sf5  
1284 SF5+ pentafluoro sulfur cation sf5+  
1285 SbCl5 Antimony pentachloride sbcl5  
1286 BrF5 bromine pentafluoride brf5  
1287 ClF5 chlorinepentafluoride clf5  
1288 IF5 pentafluoroiodine if5  
1289 CF3CHO trifluoroacetaldehyde cf3cho  
1290 CCl3CHO trichloroacetaldehyde ccl3cho  
1291 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1292 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1293 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1294 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1295 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1296 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1297 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1298 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1299 CF3COOH trifluoroacetic acid cf3cooh  
1300 C4H3ClO Furan, 2-chloro fur2cl  
1301 C4H3ClO Furan,3-chloro fur3cl  
1302 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1303 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1304 C4H8Cl2 1,4-Dichlorobutane c110565  
1305 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1306 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1307 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1308 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1309 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1310 C5H11Cl Pentane, 1-chloro- pencl1  
1311 C4H8O2 Butanoic acid bua  
1312 C6H5CH2 benzyl radical benzyl  
1313 C7H7 cycloheptatrienyl radical c7h7  
1314 C7H7+ cycloheptatrienyl cation c7h7+  
1315 C6H5CH3 toluene toluene  
1316 C7H8 cycloheptatriene cht  
1317 C7H8 Norbornadiene norbor  
1318 C7H8 Quadricyclane qucy  
1319 C7H12 Norbornane nor  
1320 C7H14 cycloheptane c7h14  
1321 C7H16 2-methylhexane 2mhex  
1322 C7H16 3-methylhexane hex3m  
1323 C7H16 heptane heptane  
1324 CH(CN)3 tricyanomethane mecn3  
1325 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1326 C6H7N 2-Methylpyridine mp  
1327 C6H5NH2 aniline aniline  
1328 C6H13N 2-Methylpiperidine pip2m  
1329 C6H13N cyclohexanamine cham  
1330 C6H15N triethylamine tea  
1331 N2O5 Dinitrogen pentoxide n2o5  
1332 C4H2O3 Maleic Anhydride malan  
1333 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1334 C5H4O2 furfural furfural  
1335 C6H5O phenoxy radical phenoxy  
1336 C5H5NO 2(1H)-Pyridinone c72762006  
1337 C5H5NO 2(3H)-Pyridinone c9000048  
1338 C5H5NO 2(5H)-Pyridinone c9000037  
1339 C5H5NO 2-Pyridinol c109104  
1340 C5H5NO 3(2H)-Pyridinone c9000004  
1341 C5H5NO 3(4H)-Pyridinone c9000026  
1342 C5H5NO 3(6H)-Pyridinone c9000015  
1343 C5H5NO 3-Pyridinol c109002  
1344 C5H5NO 4(1H)-Pryidinone c9000060  
1345 C5H5NO 4(3H)-Pryidinone c9000059  
1346 C5H5NO 4-Pyridinol c626642  
1347 C6H5OH phenol phenol  
1348 C6H6O 2,4-Cyclohexadienone c24599573  
1349 C6H6O 2,5-Cyclohexadienone c5664335  
1350 C6H5SH Benzenethiol phsh  
1351 HO2CCHNH2CH2OH Serine serine  
1352 C5H8O2 Acetylacetone acac  
1353 C4H8O2S Sulfolane sulfolane  
1354 C7H10 Norbornene norbornene  
1355 CH(C2H3)3 trivinyl methane tvm  
1356 C6H10O cyclohexanone chexo  
1357 C6H12O hexanal c6h12o  
1358 C3H7OC3H7 di-n-propyl ether propr  
1359 F2CCCF2 tetrafluoroallene pfa  
1360 CF3COO- trifluoro acetate anion cf3coo-  
1361 CF3COF trifluoroacetyl fluoride cf3cof  
1362 CF3COCl trifluoroacetyl chloride cf3cocl  
1363 PF6 Hexafluorophosphate neutral pf6  
1364 PF6- Hexafluorophosphate ion pf6-  
1365 SeF6 Selenium hexafluoride sef6  
1366 SF5Cl sulfur chloropentafluoride sf5cl  
1367 CF3CHF2 pentafluoroethane cf3chf2  
1368 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1369 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1370 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1371 CCl3CHCl2 pentachloroethane ccl3chcl2  
1372 C6H5F Fluorobenzene bzf  
1373 C6H5Cl chlorobenzene bzcl  
1374 C6H5Br bromobenzene bzbr  
1375 C8H6 Calicene calicene  
1376 C6H5CCH phenylacetylene phac  
1377 C8H6 benzocyclobutadiene bcbd  
1378 C8H6 Pentalene pentalene  
1379 C6H5CHCH2 Styrene styrene  
1380 C8H8 cubane cubane  
1381 C8H8 cyclooctatetraene cot  
1382 C6H5CH2CH3 Ethylbenzene etbz  
1383 CH3C6H4CH3 meta-xylene mxylene  
1384 CH3C6H4CH3 paraxylene pxylene  
1385 C8H14 Bicyclo[2.2.2]octane bico222  
1386 C8H16 cyclooctane cyclooct  
1387 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1388 C8H18 Octane c8h18  
1389 C6H5CN phenyl cyanide phcn  
1390 C6H12N2 Triethylenediamine ted  
1391 C4O4-- squarate dianion c4o4--  
1392 S4N4 Tetrasulfur tetranitride s4n4  
1393 S8 Octasulfur s8  
1394 C6H4O2 parabenzoquinone pbq  
1395 C4H4N2O2 Uracil uracil  
1396 C6H5OCH3 Anisole anisole  
1397 C5H9NO2 Proline proline  
1398 C6H12O2 Methyl pivalate c598981  
1399 C6H12O2 Hexanoic acid hexa  
1400 C4F4 tetrafluorcyclobutadiene c4f4  
1401 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1402 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1403 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1404 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1405 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1406 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1407 C2F6 hexafluoroethane c2f6  
1408 C2Cl6 hexachloroethane c2cl6  
1409 IF7 Iodine heptafluoride if7  
1410 C6H4F2 metadifluorobenzene mdfb  
1411 C6H4F2 orthodifluorobenzene odfb  
1412 C6H4F2 1,4-difluorobenzene pdfb  
1413 C6H4Cl2 1,2-dichlorobenzene dcb12  
1414 C6H4Cl2 1,3-dichlorobenzene dcb13  
1415 C6H4Cl2 1,4-dichlorobenzene dcb14  
1416 C6H5NO nitrosobenzene bzno  
1417 C9H8 Indene indene  
1418 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1419 C9H12 n-propyl benzene prbz  
1420 C9H20 Nonane nonane  
1421 C(CN)4 tetracyanomethane c5n4  
1422 C5H4N4 purine purine  
1423 C8H7N Indole indole  
1424 C3H3N3O3 cyanuric acid cyanuric  
1425 C6H5NO2 Nitrobenzene c6h5no2  
1426 C6H5COOH benzoic acid benzo  
1427 CH3COC6H5 acetophenone acph  
1428 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1429 C3F6 hexafluoropropene c3f6  
1430 C6H3F3 Benzene trifluoride 123 bzf3a  
1431 C8H18O 1-Octanol octanol  
1432 C10H8 Azulene azu  
1433 C10H8 naphthalene naph  
1434 C10H10 bullvalene bullv  
1435 C10H16 adamantane adamantane  
1436 C6N4 Tetracyanoethylene tcne  
1437 C6N4- tetracyanoethylene anion tcne-  
1438 C10H22 Decane decane  
1439 C4F6 perfluorobutadiene c4f6  
1440 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1441 C3F8 perfluoropropane c3f8  
1442 Fe(CO)5 Iron pentacarbonyl ipc  
1443 Fe(C5H5)2 ferrocene fecp2  
1444 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1445 C12H8 Acenaphthylene acenaph  
1446 C12H8 biphenylene biph  
1447 C12H10 biphenyl biphenyl  
1448 C12H10 Heptalene heptalene  
1449 C6H12O6 Inositol inositol  
1450 C6F6 hexafluorobenzene c6f6  
1451 S2F10 disulphur decafluoride s2f10  
1452 C13H10 Fluorene fluorene  
1453 C14H10 Anthracene anth  
1454 C14H10 Phenanthrene phenanthrene  
1455 C14H14 Bibenzyl bibenzyl  
1456 C12H10N2 azobenzene azobenzene  
1457 C6H5COC6H5 benzophenone benzophenone  
1458 C16H10 Pyrene pyrene  
1459 C18H12 Tetracene tetracene  
1460 C19H16 Triphenylmethane tpm  
1461 C24H12 Coronene coronene  
1462 C60 Buckminsterfullerene c60