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

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 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 TiH Titanium monohydride 4ΦC∞v
27 ZnH+ Zinc, protonated   
28 BeH2 beryllium dihydride 1ΣgD∞h
29 BeH2+ Beryllium dihydride cation 2ΣC∞v
30 BeH2+ Beryllium dihydride cation 2ΣuD∞h
31 BeH2+ Beryllium dihydride cation   
32 MgH2 magnesium dihydride 1ΣgD∞h
33 B Boron atom 2PKh
34 B Boron atom 4PKh
35 B+ Boron atom cation 1SKh
36 Al Aluminum atom 2PKh
37 Al- Aluminum atom anion 3PKh
38 Al+ Aluminum atom cation 1SKh
39 Sc Scandium atom 2DKh
40 Sc+ Scandium cation 3DKh
41 Ga Gallium atom 2P 
42 Ga- Gallium atom anion 3POh
43 Ga+ Gallium atom cation 1S 
44 BH Boron monohydride 1ΣC∞v
45 BH Boron monohydride 3ΠC∞v
46 BH- boron monohydride anion 4ΣC∞v
47 ScH Scandium monohydride 1ΣC∞v
48 GaH Gallium monohydride 1ΣC∞v
49 GaH+ Gallium monohydride cation 2ΣC∞v
50 BH2- boron dihydride anion 3B1C2v
51 BH2- boron dihydride anion 1A1C2v
52 BH2+ Boron dihydride cation 1ΣgD∞h
53 BH3 boron trihydride 1A1'D3h
54 BH3+ boron trihydride cation 2B2C2v
55 BH3+ boron trihydride cation  C2v
56 AlH3 aluminum trihydride 1A1'D3h
57 AlH3- aluminum trihydride anion  C3v
58 ScH3 Scandium trihydride 1A1'D3h
59 ScH3 Scandium trihydride 1A1C3v
60 GaH3 Gallium trihydride 1A1'D3h
61 BH4 borohydride 2B2C2v
62 BH4- borohydride anion 1A1Td
63 C Carbon atom 3P0Kh
64 C Carbon atom 3P1Kh
65 C- Carbon atom anion 2DKh
66 C+ Carbon atom cation 2PKh
67 Si Silicon atom 3PKh
68 Si Silicon atom 1SKh
69 Si- Silicon atom anion 4SKh
70 Si+ Silicon atom cation 2PKh
71 Ge Germanium atom 3PKh
72 Ge- Germanium anion 4SKh
73 Ge+ Germanium cation 2PKh
74 CH Methylidyne 2Π1/2C∞v
75 SiH Silylidyne 2ΠC∞v
76 SiH- silicon monohydride anion 3ΣC∞v
77 SiH+ silicon monohydride cation 1ΣC∞v
78 GeH germylidene 2ΠC∞v
79 GeH+ Germaniun monohyrdide cation 1ΣC∞v
80 CH2 Methylene 3B1C2v
81 CH2 Methylene 3ΣGD∞h
82 CH2 Methylene 1A1C2v
83 CH2- methylene anion 2B1C2v
84 CH2+ methylene cation 2A1C2v
85 CH2+ methylene cation 2ΠD∞h
86 SiH2 silicon dihydride 1A1C2v
87 SiH2 silicon dihydride 3B1C2v
88 GeH2 germylene 1A1C2v
89 GeH2- germylene anion 2B1C2v
90 CH3 Methyl radical 2A1D3h
91 CH3- methyl anion 1A1C3v
92 CH3+ methyl cation 1A1'D3h
93 SiH3 Silyl radical 2A1C3v
94 SiH3+ Silyl cation 1A1'D3h
95 GeH3 Germyl radical 2A1C3v
96 GeH3+ germyl cation 1A1'D3h
97 CD4 methane-d4 1A1Td
98 CH2D2 methane-d2 1A1C2v
99 CH3D methane-d 1A1C3v
100 CH4 Methane 1A1Td
101 CHD3 methane-d3 1A1C3v
102 SiH2D2 silane-d2   
103 SiH4 Silane 1A1Td
104 GeH4 Germane 1A1Td
105 SiH5+ Silane, protonated   
106 N Nitrogen atom 4SKh
107 N Nitrogen atom 2DKh
108 N+ Nitrogen atom cation 3PKh
109 P Phosphorus atom 4SKh
110 V Vanadium atom 4FKh
111 V+ Vanadium atom cation 5DKh
112 As Arsenic atomic 4SKh
113 As- Arsenic anion 3PKh
114 As+ Arsenic cation 3PKh
115 PH phosphorus monohydride 3Σ-C∞v
116 AsH Arsenic monohydride 3ΣC∞v
117 AsH Arsenic monohydride 1ΣC∞v
118 AsH+ Arsenic monohydride cation 2ΠC∞v
119 NH2 Amino radical 2B1C2v
120 NH2+ Amino cation 3B1C2v
121 NH2+ Amino cation 1A1C2v
122 AsH2+ Arsenic dihydride cation 1A1C2v
123 NH3 Ammonia 1A1C3v
124 NH3- Ammonia anion 2A1C3v
125 NH3+ ammonia cation 2A2"D3h
126 PH3 Phosphine 1A1C3v
127 PH3+ Phosphine cation 2A1C3v
128 AsH3+ Arsine cation 2A1C3v
129 AsH4+ Arsonium   
130 NH4 Ammonium radical   
131 NH4+ ammonium cation 1A1Td
132 PH4 Phosphoranyl radical   
133 PH4+ phosphonium cation   
134 O Oxygen atom 3SKh
135 O+ Oxygen atom cation 4SKh
136 S Sulfur atom 3PKh
137 S Sulfur atom   
138 S- Sulfur atom anion 2PKh
139 S+ Sulfur atom cation 4SKh
140 Se Selenium atom 3PKh
141 Se- Selenium atom anion 2PKh
142 Se+ Selenium atom cation 4SKh
143 OH Hydroxyl radical 2ΠC∞v
144 OH- hydroxide anion 1ΣC∞v
145 OH+ hydoxyl cation 3ΣC∞v
146 HS Mercapto radical 2ΠC∞v
147 HS- mercapto anion 1ΣC∞v
148 HS+ sulfur monohydride cation 3ΣC∞v
149 CrH+ Chromium hydride cation 5ΣC∞v
150 HSe Selenium monohydride 2ΠC∞v
151 HSe- selenium monohydride anion 1ΣC∞v
152 HSe+ selenium monohydride cation 3ΣC∞v
153 H2O Water 1A1C2v
154 H2O- water anion 2A1C2v
155 H2O- water anion 2A'Cs
156 H2O+ water cation 2B1C2v
157 HDO Water-d1 1A1C2v
158 H2S Hydrogen sulfide 1A1C2v
159 H2S- Hydrogen sulfide anion 2A'Cs
160 H2S+ Hydrogen sulfide cation 2B1C2v
161 H2Se Hydrogen selenide 1A1C2v
162 H2Se+ Hydrogen selenide cation 2B1C2v
163 H3O+ hydronium cation 1A1C3v
164 H3S+ Sulfonium cation 1A1C3v
165 H3Se+ Hydrogen Selenide, protonated 1A1C3v
166 F Fluorine atom 2PKh
167 F- Fluorine atom anion 1SKh
168 F+ Fluorine atom cation 3SKh
169 F+ Fluorine atom cation 1DKh
170 Cl Chlorine atom 2PKh
171 Cl- Chlorine atom anion 1SKh
172 Cl+ Chlorine atom cation 3PKh
173 Cl+ Chlorine atom cation 1DKh
174 Br Bromine atom 2PKh
175 Br- Bromine atom anion 1SKh
176 Br+ Bromine atom cation 3PKh
177 HF Hydrogen fluoride 1ΣC∞v
178 HF- hydrogen fluoride anion 2ΣC∞v
179 HF+ hydrogen fluoride cation 2ΠC∞v
180 HCl Hydrogen chloride 1ΣC∞v
181 HCl- hydrogen chloride anion 2ΣC∞v
182 HCl+ hydrogen chloride cation 2ΠC∞v
183 HBr hydrogen bromide 1ΣC∞v
184 HBr- hydrogen bromide anion 2ΣC∞v
185 HBr+ hydrogen bromide cation 2ΠC∞v
186 H2Cl+ dihydrogen monochloride cation 1A1C2v
187 H2Br+ protonated hydrogen bromide 2A1C2v
188 Ne Neon atom 1SKh
189 Ne Neon atom   
190 Ne+ Neon atom cation 2PKh
191 Ar Argon atom 1SKh
192 Kr Krypton atom 1SKh
193 Kr+ Krypton cation 2PKh
194 HeLi+ Helium Lithium cation   
195 NeH neon hydrogen 2ΣC∞v
196 ArH+ Argon hydride cation 1ΣC∞v
197 KrH+ Protonated Krypton 1ΣC∞v
198 H2Ar H2 Ar dimer 1ΣC∞v
199 Li2 Lithium diatomic 1ΣgD∞v
200 NaLi lithium sodium 1ΣC∞v
201 Na2 Sodium diatomic 1ΣgD∞h
202 Na2- sodium diatomic anion 2ΣuD∞h
203 Na2+ sodium diatomic cation 2ΣgD∞h
204 Be2 Beryllium diatomic 1ΣgD∞h
205 Be2 Beryllium diatomic 3ΠgD∞h
206 BeMg Beryllium Magnesium 1ΣC∞v
207 Mg2 Magnesium diatomic 1ΣgD∞h
208 LiB Lithium boride 3ΠC∞v
209 LiAl Lithium Aluminum   
210 NaAl Sodium aluminum 1ΣC∞v
211 BeB Beryllium monoboride 2ΠC∞v
212 B2 Boron diatomic 3ΣgD∞h
213 B2 Boron diatomic 1ΣgD∞h
214 B2 Boron diatomic 5ΣuD∞h
215 B2+ Boron diatomic cation 2ΠD∞h
216 BAl Boron Aluminum 3ΣC∞v
217 BGa Boron Gallium 3ΣC∞v
218 AlGa Aluminum Gallium 3ΣC∞v
219 AlGa Aluminum Gallium 1ΣC∞v
220 Ga2 Gallium diatomic 3Piu 
221 HBBH Diborane(2) 3ΣGD∞h
222 LiBH4 Lithium borohydride 1A1C3v
223 B2H4 Diborane(4) D2d 1A1D2d
224 HBHHBH Diborane(4) C2V 1A1C2v
225 B2H6 Diborane 1AgD2h
226 B2H6+ Diborane cation   
227 Al2H6 dialane 1AGD2h
228 LiC Lithium Carbide 4ΣC∞v
229 BeC Beryllium Carbide 3Σ-C∞v
230 BeC Beryllium Carbide   
231 BC boron monocarbide 4Σ-C∞v
232 AlC Aluminum carbide 4ΣC∞v
233 BSi Boron silicide 4ΣC∞v
234 BSi Boron silicide 2ΣC∞v
235 C2 Carbon diatomic 1Σg+D∞h
236 C2 Carbon diatomic 3Σg- 
237 C2+ carbon diatomic cation 4ΣgD∞h
238 SiC silicon monocarbide 3ΣC∞v
239 SiC silicon monocarbide 1ΣC∞v
240 GeC Germanium monocarbide 1ΣC∞v
241 SiGe Silicon Germanium   
242 C2H Ethynyl radical 2ΣC∞v
243 C2H- Ethynyl anion 1ΣC∞v
244 C2H2 Acetylene 1ΣgD∞h
245 C2H2+ acetylene cation 2ΠuD∞h
246 C2H2+ acetylene cation   
247 CCH2 vinylidene 3B2C2v
248 H2CC- vinylidene anion   
249 HCCH- acetylene anion   
250 HCCH- acetylene anion   
251 Si2H2 disilyne   
252 Si2H2 disilyne   
253 Si2H2 disilyne   
254 Si2H2 disilyne   
255 CH3Li methyl lithium 1A1C3v
256 CH2BH methyleneborane 1A1C2v
257 C2H3 vinyl 2A'Cs
258 C2H3- vinyl anion 1A'Cs
259 C2H3+ vinyl cation 1A1C2V bridging H
260 C2H3+ vinyl cation 1A1C2V HCCH2
261 C2H4+ Ethylene cation 2B3D2
262 Si2H4 Disilene   
263 Si2H4 Disilene   
264 Si2H4 Disilene   
265 CH3BH2 methylborane 1A'Cs
266 C2H5 Ethyl radical 2A'Cs
267 C2H5- Ethyl anion 1A'Cs
268 C2H6 Ethane 1A1gD3d
269 C2H6 Ethane 1A1'D3h
270 Si2H6 disilane 1EuD3d
271 LiN Lithium Nitride 3ΣC∞v
272 LiP Lithium monophosphide   
273 LiP Lithium monophosphide   
274 BeN Beryllium mononitride 4ΣC∞v
275 BeN Beryllium mononitride 2ΠC∞v
276 BeN+ Beryllium mononitride cation 3ΣC∞v
277 BeN+ Beryllium mononitride cation 1ΣC∞v
278 MgN Magnesium Nitride   
279 MgN Magnesium Nitride   
280 BP Boron monophosphide 3ΠC∞v
281 BP Boron monophosphide 1ΣC∞v
282 AlP Aluminum monophosphide 3ΣC∞v
283 AlP Aluminum monophosphide 3ΠC∞v
284 AlP Aluminum monophosphide 1ΣC∞v
285 GaN Gallium mononitride 3ΠC∞v
286 GaN Gallium mononitride 1ΣC∞v
287 GaP Gallium monophosphide 3ΣC∞v
288 GaP Gallium monophosphide 1ΣC∞v
289 GaAs Gallium arsenide 3Π 
290 GaAs Gallium arsenide 1Σ 
291 BN boron nitride 3ΠC∞v
292 BN boron nitride 1ΣC∞v
293 CN Cyano radical 2ΣC∞v
294 CN- cyanide anion 1ΣC∞v
295 SiP Silicon monophosphide 2ΠC∞v
296 N2 Nitrogen diatomic 1ΣgD∞h
297 N2 Nitrogen diatomic   
298 N2- nitrogen diatomic anion 2ΠgD∞h
299 N2+ diatomic nitrogen cation 2ΣgD∞h
300 PN Phosphorus mononitride 1ΣC∞v
301 P2 Phosphorus diatomic 1ΣgD∞h
302 AsN Arsenic mononitride 1ΣC∞v
303 AsP Arsenic monophosphide 1ΣC∞v
304 HCN Hydrogen cyanide 1ΣC∞v
305 HCN+ hydrogen cyanide cation 2ΠC∞v
306 HNC+ hydrogen isocyanide cation   
307 HCP+ Phosphaethyne cation   
308 NNH+ Dinitrogen monohydride cation 1ΣC∞v
309 LiNH2 lithium amide   
310 HBNH Boranimine 1ΣC∞v
311 CNH2 Aminomethylidyne radical 2B2C2v
312 H2CN Dihydrogen cyanide radical 2B2C2v
313 HCNH methyleneazane 2A'CS trans
314 H2NN Isodiazene   
315 N2H2 (E)-diazene 1AgC2h
316 N2H2 (Z)-Diazene 1A1C2v
317 N2H2+ trans-diazene cation 2AGC2h
318 CH2NH Methanimine 1A'Cs
319 CH2NH+ Methanimine cation   
320 CHNH2 aminomethylene   
321 CHNH2+ Aminocarbene cation   
322 BH2NH2 Boranamine   
323 CH2NH2+ methyleneamine cation 1A1C2v
324 N2H4 Hydrazine 1AC2
325 CH3NH2 methyl amine 1A'Cs
326 SiH3NH2 Silane, amino   
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 cation 1A'Cs
426 CH3O- methoxy anion 1A1C3v
427 CH3O+ Methoxy cation 3A1C3v
428 H2CSH+ Thioformaldehyde, protonated 1A'Cs
429 NH2OH hydroxylamine 1A'Cs
430 NH2OH+ Hydroxylamine cation   
431 NH3O Ammonia Oxide 1A1C3v
432 H2POH Phosphinous acid 1A1'CS trans
433 H2POH Phosphinous acid 1A1'CS cis
434 CH3OH Methyl alcohol 1A'Cs
435 CH3OH- Methyl alcohol anion 2A'CS eclipsed
436 CH3OH+ Methyl alcohol cation 2A"Cs
437 CH3SH Methanethiol 1A'Cs
438 SiH3OH silanol   
439 NH2OH2+ protonated hydroxylamine   
440 NH3OH+ N-protonated hydroxylamine   
441 H2OH2O water dimer 1A'Cs
442 H5O2+ Dihydroxonium ion 1AC2
443 LiF lithium fluoride 1ΣC∞v
444 LiCl lithium chloride 1ΣC∞v
445 NaF sodium fluoride 1ΣC∞v
446 NaF+ sodium fluoride cation 2ΣC∞v
447 NaCl Sodium Chloride 1ΣC∞v
448 LiBr Lithium Bromide 1ΣC∞v
449 LiF+ lithium fluoride cation 2ΠC∞v
450 BeF- Beryllium monofluoride anion 1ΣC∞v
451 MgF+ magnesium fluoride cation 1ΣC∞v
452 ZnF Zinc monofluoride 2ΣC∞v
453 BF Boron monofluoride 1ΣC∞v
454 AlF Aluminum monofluoride 1Σ+C∞v
455 AlCl Aluminum monochloride 1ΣC∞v
456 ScF Scandium monofluoride 1ΣC∞v
457 BBr Boron monobromide 1ΣC∞v
458 GaF Gallium monofluoride 1ΣC∞v
459 GaF+ Gallium monofluoride cation 2ΣC∞v
460 AlBr Aluminum monobromide   
461 GaCl Gallium monochloride 1ΣGC∞v
462 GaCl+ Gallium monochloride cation 2ΣC∞v
463 GaBr Gallium monobromide   
464 CF Fluoromethylidyne 2ΠC∞v
465 SiF silicon monofluoride 2ΠC∞v
466 SiF- silicon monofluoride anion 3ΣC∞v
467 SiF+ silicon monofluoride cation 1ΣC∞v
468 SiCl Clorosilylidyne 2ΠC∞v
469 CBr Carbon monobromide 2ΠC∞v
470 GeF Germanium monofluoride 2ΠC∞v
471 GeF+ Germanium monofluoride cation 1ΣC∞v
472 GeCl Germanium monochloride 2ΠC∞v
473 GeCl+ Germanium monochloride cation   
474 SiBr Silicon monobromide 2ΠC∞v
475 SiBr+ Silicon monobromide cation   
476 NCl nitrogen monochloride 3ΣC∞v
477 AsF Arsenic monofluoride 3ΣC∞v
478 AsF Arsenic monofluoride 1ΔC∞v
479 NBr nitrogen monobromide 3Σ-C∞v
480 AsCl Arsenic monochloride 3ΣC∞v
481 PBr Phosphorus monobromide   
482 FO Oxygen monofluoride 2ΠC∞v
483 ClO Monochlorine monoxide 2ΠC∞v
484 ClO+ chlorine monoxide cation 3ΣC∞v
485 SF Monosulfur monofluoride 2ΠC∞v
486 SF+ sulfur monofluoride cation 3ΣC∞v
487 SCl sulfur monochloride 2ΠC∞v
488 SCl+ sulfur monochloride cation 3ΣgC∞v
489 BrO Bromine monoxide 2ΠC∞v
490 BrO- Bromine monoxide anion 1ΣC∞v
491 BrO+ Bromine monoxide cation   
492 SeF Selenium monofluoride 2ΠC∞v
493 SBr Sulfur monobromide radical   
494 SBr+ Sulfur monobromide cation   
495 SeCl Selenium monochloride 2ΠC∞v
496 SeBr Selenium monobromide   
497 BrCl Bromine monochloride 1ΣC∞v
498 F2 Fluorine diatomic 1ΣgD∞h
499 F2- flourine diatomic anion 2ΣuD∞h
500 F2+ flourine diatomic cation 2ΠgD∞h
501 ClF Chlorine monofluoride 1Σ+C∞v
502 ClF+ clorine monofluoride cation 2ΠC∞v
503 Cl2 Chlorine diatomic 1ΣgD∞h
504 Cl2- chlorine diatomic anion 2ΣuD∞h
505 Cl2+ chlorine diatomic cation 2ΠgD∞h
506 BrF Bromine monofluoride 1ΣC∞v
507 Br2 Bromine diatomic 1ΣgD∞h
508 Br2- bromine diatomic anion 2ΣuD∞h
509 Br2+ bromine diatomic cation 2ΠgD∞h
510 HCF Fluoromethylene 1A'Cs
511 HCF Fluoromethylene 3A"Cs
512 HCCl Chloromethylene 1A'Cs
513 HCCl Chloromethylene 3A"Cs
514 HSiF fluorosilylene   
515 HSiCl Chlorosilylene   
516 HSiBr monobromosilylene   
517 HOF Hypofluorous acid 1A'Cs
518 HOCl hypochlorous acid 1A'Cs
519 HOCl+ hypochlorous acid cation   
520 HOBr Hypobromous acid 1A'Cs
521 HOBr+ Hypobromous acid cation 2A"Cs
522 F2H+ Fluorine, protonated 1A'Cs
523 ClFH+ Chlorine fluoride, F-protonated   
524 FClH+ Chlorine fluoride, Cl-protonated   
525 Cl2H+ Chlorine, protonated 1A'Cs
526 CH2Br bromomethyl radical   
527 CH2F fluoromethyl radical 2ACs
528 CH2F+ fluoromethyl cation   
529 CH2Cl+ chloromethyl cation   
530 CH2Cl chloromethyl radical 2A'Cs
531 CH2Cl chloromethyl radical 2B1C2v
532 NH2Cl chloramine 1A'Cs
533 CH3F+ methyl fluoride cation   
534 CD3F methylfluoride-d3 1A1C3v
535 CH3F Methyl fluoride 1A1C3v
536 CD3Cl methyl chloride d3 1A1C3v
537 CH3Cl Methyl chloride 1A1C3v
538 SiH3F monofluorosilane 1A1C3v
539 SiH3Cl chlorosilane 1A1C1
540 CH3Br methyl bromide 1A1C3v
541 GeH3F monofluorogermane   
542 GeH3Cl monochlorogermane   
543 NH3Cl+ protonated monochloroammonia   
544 CH3ClH+ methyl chloride, protonated   
545 NH4Cl Ammonium chloride   
546 LiNe+ Lithium Neon cation   
547 Ne2+ Neon diatomic cation 2ΣuD∞h
548 Ar2 Argon diatomic 1SgD∞h
549 Ar2+ Argon diatomic cation 2ΣuD∞h
550 Li3 Lithium trimer 2B2C2v
551 Li3+ Lithium trimer cation 1A1'D3h
552 C3 carbon trimer 1ΣgD∞h
553 C3 carbon trimer 1A1C2v
554 SiC2 Silicon dicarbide   
555 C3H4 cyclopropene 1A1C2v
556 CH2CCH2 allene 1A1D2d
557 CH3CCH propyne 1A'C3v
558 CH2CHCH3 Propene 1A'Cs
559 C3H7 n-Propyl radical 2A"C1
560 CH3CHCH3+ Isopropyl cation 1AC2
561 Si3H8 trisilane   
562 LiCN lithium cyanide 1ΣC*V LiCN
563 LiCN lithium cyanide 1A'Cs
564 LiCN lithium cyanide 1ΣC*V LiNC
565 NaCN Sodium Cyanide 1ΣC∞v
566 NaCN Sodium Cyanide 1ACs
567 NaCN Sodium Cyanide 1ΣC∞v
568 ZnCN Zinc monocyanide 2ΣC∞v
569 ZnNC Zinc isocyanide 2ΣC∞v
570 AlCN Aluminum monocyanide   
571 AlNC Aluminum isocyanide   
572 CN2 3H-Diazirin-3-ylidene 1A1C2v
573 CNN Diazocarbene   
574 NCN Cyanoimidogen 3ΣgD∞h
575 NCN Cyanoimidogen 1ΣgD∞h
576 N3 azide radical 2ΠgD∞h
577 N3+ azide cation 3ΣgD∞h
578 N3+ azide cation 3ΣC∞v
579 HN3 hydrogen azide 1A'Cs
580 HN3+ Hydrazoic acid cation   
581 HNCNH diiminomethane 1AC2
582 HNNNH+ 1,2-Triazadienium   
583 NH2NN+ hydrazoic acid, protonated   
584 CH3CN Acetonitrile 1A1C3v
585 HCNCH2+ 2H-Azirine cation   
586 HNCNH2+ diiminomethane, protonated 1A'Cs
587 NH2CNH+ cyanamide, cn protonated   
588 NH3CN+ cyanamide, amine protonated   
589 C2H6N+ aziridine, protonated 1A1C2v
590 CH3CH2NH2 Ethylamine   
591 Li2O dilithium oxide 1ΣgD∞h
592 Li2S dilithium sulfide 1ΣGD∞h
593 Li2S dilithium sulfide 1A1C2v
594 Na2O disodium monoxide 1ΣgLinear
595 Na2O disodium monoxide 1A1C2v
596 Na2S Sodium sulfide   
597 Na2S Sodium sulfide   
598 LiO2 Lithium dioxide   
599 NaO2 Sodium superoxide   
600 CCO Dicarbon monoxide 3ΣC∞v
601 CCO Dicarbon monoxide 1ΠC∞v
602 NCO isocyanato radical 2ΠC∞v
603 N2O Nitrous oxide 1ΣC∞v
604 NNS Nitrogen sulfide 1ΣC∞v
605 CO2 Carbon dioxide 1ΣgD∞h
606 CO2+ Carbon dioxide cation 2ΠgD∞h
607 OCS Carbonyl sulfide 1ΣC∞v
608 CS2 Carbon disulfide 1ΣgD∞h
609 CS2- Carbon disulfide anion 2A1C2v
610 TiO2 Titanium dioxide 1A1C2v
611 GeO2 Germanium dioxide 1ΣgD∞h
612 OCSe Carbonyl selenide 1ΣC∞v
613 SCSe Carbon sulfide selenide   
614 GeS2 Germanium disulfide 1ΣGD∞h
615 NO2 Nitrogen dioxide 2A1C2v
616 NO2+ Nitrogen dioxide cation 1ΣGD∞h
617 NSO sulfinyl amidogen   
618 SNO Nitrogen oxide sulfide   
619 O3 Ozone 1A1Cs
620 SO2 Sulfur dioxide 1A1C2v
621 SSO Disulfur monoxide 1A'Cs
622 S3 Sulfur trimer 1A1C2v
623 S3 Sulfur trimer   
624 S3+ Sulfur trimer cation 2B2C2v
625 SeO2 Selenium dioxide 1A1C2v
626 SeO2+ Selenium dioxide cation 2A1C2v
627 HCCO ketenyl radical 2ΠC∞v
628 HCCO ketenyl radical 2A"Cs
629 HCNO fulminic acid 1ΣC∞v
630 HCOO formate neutral radical 2A'Cs
631 HOCO Hydrocarboxyl radical 1A'cis
632 HOCO Hydrocarboxyl radical 1A'trans
633 O3H+ protonated ozone 1A'Cs
634 O3H+ protonated ozone   
635 C2H2O Oxirene 1A1C2v
636 CH2CO Ketene 1A1C2v
637 CH2CS Thioketene   
638 Be(OH)2 Beryllium hydroxide   
639 H2COO Dioxymethyl radical 2A'Cs
640 H2COO+ dioxymethyl cation 2A'Cs
641 HCOOH Formic acid 1A'Cs
642 HCOOH Formic acid   
643 CH2BOH hydroxy(methylene)borane 1A'Cs
644 BH3CO Borane carbonyl 1A1C3v
645 CH3BO Borane, methyloxo- 1A1C3v
646 CH2COH+ ketene, protonated   
647 CHONH2 formamide 1A'Planar
648 CNOH3 1,2-oxaziridine 1AC1
649 HOCHNH hydroxymethylimine 1A'CS H all up
650 HOCHNH hydroxymethylimine 1A'CS OH down
651 NHCHSH Methanimidothioic acid   
652 C2H4O Ethylene oxide 1A1C2v
653 C2H4O+ ethylene oxide cation   
654 CH3CHO Acetaldehyde 1A'Cs
655 CH3CHO+ acetaldehyde cation   
656 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
657 C2H4S Thiirane 1A1C2v
658 CH2CHSH Ethenethiol   
659 NH2CHOH+ Formamide, O-protonated   
660 CH3SSH Hydrogen methyl disulfide   
661 HSCH2SH Methanedithiol   
662 C2H4OH+ ethylene oxide, protonated 1A'Cs
663 CH3CH2SH ethanethiol 1A'Cs
664 CH3SCH3 Dimethyl sulfide 1A1C2v
665 CH3SCH3+ dimethyl sulfide cation   
666 CNF iso cyanogen fluoride 1ΣC∞v
667 BrCN Cyanogen bromide 1ΣC∞v
668 FBO Boron monofluoride monoxide   
669 MgF2 Magnesium fluoride 1ΣgD∞h
670 BeBr2 Beryllium bromide   
671 FCO Carbonyl fluoride 2A'Cs
672 FCO+ Carbonyl fluoride cation 1ΣC∞v
673 ClCO carbonyl monochloride 2A'Cs
674 BF2 Boron difluoride radical 2A1C2v
675 FNO Nitrosyl fluoride 1A'Cs
676 ClNO Nitrosyl chloride 1A'Cs
677 FNS Thionitrosyl fluoride 1A'Cs
678 FSN Thiazyl fluoride 1A'Cs
679 OPCl Phosphorus oxychloride   
680 CF2 Difluoromethylene 1A1D∞h
681 CFCl chlorofluoromethylene 1A'Cs
682 SiF2 Silicon difluoride 1A1C2v
683 GeF2 Germanium difluoride 1A1C2v
684 GeCl2 Germanium dichloride 1A1C2v
685 FOO+ Fluorine dioxide cation   
686 OClO Chlorine dioxide 2B1D∞h
687 OClO- Chlorine dioxide anion 1A'Cs
688 ClSO Sulfur chloride oxide 2A"Cs
689 BrOO Bromine dioxide   
690 OBrO Bromine dioxide radical 2B1C2v
691 PF2 Phosphorus difluoride   
692 PF2+ Phosphorus difluoride cation   
693 FClO chlorosyl fluoride 1A'Cs
694 ClOF Chlorine hypofluorite 1A'Cs
695 SF2 sulfur difluoride 1A1C2v
696 SF2- sulfur difluoride anion 2ΠD∞h
697 SCl2 Sulfur dichloride 1A1C2v
698 SeF2 Selenium difluoride   
699 SeCl2 Selenium Dichloride   
700 SBr2 Sulfur dibromide   
701 SeBr2 Selenium dibromide   
702 Br3- tribromide anion   
703 SFCl Sulfur chloride fluoride   
704 HCCF Fluoroacetylene 1ΣC∞v
705 CHF2 difluoromethyl radical 2ACs
706 CHF2+ difluoromethyl cation   
707 CHFCl Chlorofluoromethyl radical   
708 CHFCl+ Chlorofluoromethyl cation   
709 CHCl2+ dichloromethyl cation   
710 NHF2 difluoramine   
711 NHCl2 dichloroamine   
712 CH2F2 Methane, difluoro- 1A1C2v
713 SiH2F2 difluorosilane   
714 CH2Cl2 Methylene chloride 1A1C2v
715 CH2BrCl Methane, bromochloro- 1A'Cs
716 CH2Br2 dibromomethane 1A1C2v
717 CH3MgBr Methyl Magnesium Bromide   
718 CH2CHF Ethene, fluoro- 1A'Cs
719 CH2FOH fluoromethanol   
720 KrF2 Krypton difluoride 1ΣGD∞h
721 C4 Carbon tetramer 3ΣgD∞h
722 C4 Carbon tetramer   
723 C4H4 Tetrahedrane   
724 C4H6 1-Methylcyclopropene 1AC1
725 CH3CH2CH2CH3 Butane 1AgAnti
726 Li3N trilithium nitride 1A'D3h
727 C2N2 Cyanogen 1ΣgD∞h
728 HCCCN+ Cyanoacetylene cation 2ΠC∞v
729 H2CNCN cyanamide, methylene   
730 HNCCNH Ethenediimine   
731 C3O Tricarbon monoxide 1ΣC∞v
732 ONNO NO dimer 1Agtrans C2H
733 ONNO NO dimer 1A1cis C2V
734 S2N2 Disulfur dinitride 1AGD2h
735 NO3- nitrate anion 1A1'D3h
736 SO3 Sulfur trioxide 1A1'D3h
737 SO3-- Sulfate dianion   
738 S4 Sulfur tetramer   
739 S4 Sulfur tetramer   
740 S4 Sulfur tetramer   
741 HNO3 Nitric acid 1A'Cs
742 C3H2O Propadienal   
743 C3H2O Propadienal   
744 C2H2O2 Ethanedial 1AgC2h
745 CH3NO2 Methane, nitro- 1A'Cs
746 H3AlO3 Aluminum hydroxide   
747 CH2CHCHO Acrolein 1A'Cs
748 CH2CHCHO Acrolein   
749 CH3COCH2 Acetonyl radical 2A"Cs
750 CH3CH2CHO Propanal 1A'Cs
751 Li2F2 Lithium fluoride dimer   
752 CF2O Carbonic difluoride 1A1C2v
753 CF2O+ Carbonic difluoride cation   
754 Cl2CS Thiophosgene 1A1C2v
755 BF3 Borane, trifluoro- 1A'D3h
756 BF3+ boron trifluoride cation   
757 AlF3 Aluminum trifluoride 1A1'D3h
758 BCl3 Borane, trichloro- 1A1'D3h
759 BCl3+ Boron Trichloride cation   
760 GaF3 Gallium trifluoride 1A1'D3h
761 CF2Cl difluorochloromethyl radical   
762 CFCl2 dichlorofluoromethyl radical   
763 ClO2F Chloryl fluoride 1A'Cs
764 SSCl2 Thiothionyl chloride   
765 NF3 Nitrogen trifluoride 1A1C3v
766 HClO3 Chloric Acid 1AC1
767 CHF3 Methane, trifluoro- 1A1C3v
768 SiHF3 trifluorosilane   
769 CHBrF2 Methane, bromodifluoro- 1A'Cs
770 AsF3H+ Arsenic trifluoride, protonated   
771 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
772 C2H4F2 1,2-difluoroethane 1AgC2H anti
773 CH2CHCH2F Allyl Fluoride   
774 CH2CHCH2F Allyl Fluoride   
775 CH3CHFCH3 2-Fluoropropane 1A'Cs
776 C5H8 Bicyclo[1.1.1]pentane   
777 C3O2 Carbon suboxide 1ΣGD∞h
778 B2O3 diboron trioxide   
779 B2O3 diboron trioxide   
780 C3H3NO Isoxazole 1A'Cs
781 CF3Cl Methane, chlorotrifluoro- 1A1C3v
782 CF2Cl2 difluorodichloromethane 1A1C2v
783 CHCl2CCH 3,3-dichloropropyne   
784 C3H2O3 vinylene carbonate   
785 C4H6O2 γ–Butyrolactone 1AC1
786 C3H6O3 1,3,5-Trioxane 1A1C1
787 PF5 Phosphorus pentafluoride 1A1'D3h
788 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 CaH Calcium monohydride cah  
35 CaH+ Calcium monohydride cation cah+  
36 ZnH Zinc monohydride znh  
37 CaH2 Calcium Hydride cah2  
38 ZnH2 Zinc hydride znh2  
39 B- Boron atom anion b-  
40 BH- boron monohydride anion bh-  
41 BH+ boron monohydride cation bh+  
42 AlH aluminum monohydride alh  
43 AlH- aluminum monohydride anion alh-  
44 AlH+ aluminum monohydride cation alh+  
45 ScH+ Scandium monohydride cation sch+  
46 BH2 boron dihydride bh2  
47 AlH2 aluminum dihydride alh2  
48 AlH2- aluminum dihydride anion alh2-  
49 AlH2+ aluminum dihydride cation alh2+  
50 BH3- boron trihydride anion bh3-  
51 AlH3+ aluminum trihydride cation alh3+  
52 AlH4- Aluminum tetrahydride anion alh4-  
53 C- Carbon atom anion c-  
54 Ti Titanium atom ti  
55 Ti- Titanium atom anion ti-  
56 Ti+ Titanium atom cation ti+  
57 Sn Tin atom sn  
58 Sn+ Tin cation sn+  
59 CH- methylidyne anion ch-  
60 CH+ Methylidyne cation ch+  
61 SiH2- silicon dihydride anion sih2-  
62 SiH2+ silicon dihydride cation sih2+  
63 SiH3- Silyl anion sih3-  
64 CH4- Methane anion ch4-  
65 CH4+ Methane cation ch4+  
66 SiH4+ Silane cation sih4+  
67 SnH4 Stannane snh4  
68 N- Nitrogen atom anion n-  
69 P- Phosphorus atom anion p-  
70 P+ Phosphorus atom cation p+  
71 Sb Antimony atom sb  
72 NH Imidogen nh  
73 NH- Imidogen anion nh-  
74 NH+ imidogen cation nh+  
75 PH- phosphorus monohydride anion ph-  
76 PH+ phosphorus monohydride cation ph+  
77 SbH Antimony monohydride sbh  
78 ND2 Amidogen-d2 nd2  
79 NH2- amino anion nh2-  
80 PH2 Phosphino radical ph2  
81 PH2- Phosphino anion ph2-  
82 PH2+ Phosphino cation ph2+  
83 AsH2 Arsenic dihydride ash2  
84 ND3 Ammonia-d3 nd3  
85 AsH3 Arsine ash3  
86 SbH3 Stibine sbh3  
87 O- Oxygen atom anion o-  
88 Cr Chromium atom cr  
89 Te Tellurium atom te  
90 Te+ Tellurium atom cation te+  
91 DO Hydroxyl-d od  
92 DS Mercapto-d ds  
93 TeH Telluryl radical teh  
94 D2O Deuterium oxide d2o  
95 D2S Hydrogen sulfide-d2 d2s  
96 H2Te Hydrogen Telluride h2te  
97 Mn Manganese atom mn  
98 I Iodine atom iodine  
99 I- Iodine atom anion iodine-  
100 I+ Iodine atom cation iodine+  
101 DF Hydrofluoric acid-d df  
102 DCl Hydrochloric acid-d dcl  
103 HI Hydrogen iodide hi  
104 HI+ Hydrogen iodide cation hi+  
105 H2F+ dihydrogen fluoride cation h2f+  
106 H2I+ Iodonium h2i+  
107 Ne- Neon atom anion ne-  
108 Ar- Argon atom anion ar-  
109 Ar+ Argon atom cation ar+  
110 Fe Iron atom fe  
111 Xe Xenon atom xe  
112 NeH+ neon hydrogen cation neh+  
113 XeH+ Xenon, protonated xeh+  
114 Co Cobalt atom cobalt  
115 Ni Nickel atom ni  
116 Li2- lithium diatomic anion li2-  
117 NaLi- lithium sodium anion lina-  
118 NaLi+ lithium sodium cation lina+  
119 LiK Lithium Potassium lik  
120 NaK Sodium Potassium nak  
121 NaK+ Sodium Potassium diatomic cation nak+  
122 K2 Potassium diatomic k2  
123 Cu2 Copper diatomic cu2  
124 LiBe Lithium Beryllium libe  
125 LiMg Lithium magnesium limg  
126 NaBe Sodium Beryllium nabe  
127 NaMg Sodium Magnesium namg  
128 Be2- Beryllium diatomic anion be2-  
129 Be2+ Beryllium diatomic cation be2+  
130 Mg2- magnesium diatomic anion mg2-  
131 Mg2+ magnesium diatomic cation mg2+  
132 Ca2 Calcium diatomic ca2  
133 B2- Boron diatomic anion b2-  
134 Al2 Aluminum diatomic al2  
135 Al2- aluminum diatomic anion al2-  
136 Al2+ aluminum diatomic cation al2+  
137 Ga2H6 digallane ga2h6  
138 CaC Calcium monocarbide cac  
139 BC- boron monocarbide anion bc-  
140 BC+ boron monocarbide cation bc+  
141 C2- carbon diatomic anion c2-  
142 SiC- silicon monocarbide anion sic-  
143 SiC+ silicon monocarbide cation sic+  
144 Si2 Silicon diatomic si2  
145 Si2- silcon diatomic anion si2-  
146 Si2+ silcon diatomic cation si2+  
147 Ge2 Germanium diatomic ge2  
148 C2H+ Ethynyl cation c2h+  
149 ZnCH2 Zinc methylene znch2  
150 CCH2 vinylidene vinylidene  
151 CuCH3 monomethyl copper cuch3  
152 ZnCH3 Zinc monomethyl znch3  
153 C2H4 Ethylene c2h4  
154 C2H4- Ethylene anion c2h4-  
155 CH3CH methylmethylene ch3ch  
156 CH2SiH2 silaethylene ch2sih2  
157 C2H5+ Ethyl cation c2h5+  
158 C2H6+ ethane cation c2h6+  
159 CH3SiH3 methyl silane ch3sih3  
160 GeH3CH3 methyl germane geh3ch3  
161 C2H7+ Ethane, protonated c2h7+  
162 LiN+ Lithium Nitride cation lin+  
163 BeN- Beryllium mononitride anion ben-  
164 BN- boron nitride anion bn-  
165 AlN- aluminum mononitride anion aln-  
166 AlN+ aluminum mononitride cation aln+  
167 BN+ boron nitride cation bn+  
168 AlN Aluminum nitride aln  
169 CN+ Cyano cation cn+  
170 CP Carbon monophosphide cp  
171 CP- carbon monophosphide anion cp-  
172 CP+ carbon monophosphide cation cp+  
173 SiN Silicon nitride sin  
174 SiN- silicon mononitride anion sin-  
175 SiN+ silicon mononitride cation sin+  
176 SiP- Silicon monophosphide anion sip-  
177 SiP+ Silicon monophosphide cation sip+  
178 TiN Titanium mononitride tin  
179 PN- phosphorus nitride anion pn-  
180 PN+ phosphorus nitride cation pn+  
181 P2- phosphorus diatomic anion p2-  
182 P2+ phosphorus diatomic cation p2+  
183 SbN Antimony nitride sbn  
184 As2 Arsenic diatomic as2  
185 HNB hydrogen nitrogen boron hnb  
186 HNC hydrogen isocyanide hnc  
187 HCN- Hydrogen cyanide anion hcn-  
188 HCP Phosphaethyne hcp  
189 NNH Dinitrogen monohydride nnh  
190 HPO Hydrogen phosphorus oxide hpo  
191 HPO+ Hydrogen phosphorus oxide cation hpo+  
192 CNH2+ N-protonated hydrogen isocyanide cnh2+  
193 H2CN+ hydrocyanonium cation h2cn+  
194 HCNH+ N-protonated HCN hcnh+  
195 CH2PH Phosphaethene ch3p  
196 N2H4+ hydrazine cation n2h4+  
197 P2H4 Diphosphine p2h4  
198 CH3NH2+ methyl amine cation ch3nh2+  
199 CH3PH2 Methyl phosphine ch3ph2  
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 CH2OH Hydroxymethyl radical ch2oh  
272 CH3O Methoxy radical ch3o  
273 CH3S thiomethoxy ch3s  
274 H3PO Phosphine oxide h3po  
275 NH2SH Thiohydroxylamine nh2sh  
276 NH3S sulfidoazane nh3s  
277 H3O2+ hydrogen peroxide, protonated h3o2+  
278 CH3SH+ Methanethiol cation ch3sh+  
279 CH3SeH Methane selenol ch3seh  
280 CH3OH2+ Methanol, protonated ch3oh2+  
281 CH3SH2+ protonated methylsulfide ch3sh2+  
282 H2ONH3 Water Ammonia Dimer h2onh3  
283 LiCl- lithium chloride anion licl-  
284 LiCl+ lithium chloride cation licl+  
285 NaF- sodium fluoride anion naf-  
286 KF Potassium Fluoride kf  
287 NaCl- sodium chloride anion nacl-  
288 NaCl+ sodium chloride cation nacl+  
289 KCl Potassium Chloride kcl  
290 CuF Copper monofluoride cuf  
291 LiBr- lithium bromide anion libr-  
292 LiBr+ lithium bromide cation libr+  
293 CuCl Copper monochloride cucl  
294 NaBr Sodium Bromide nabr  
295 NaBr- sodium bromide anion nabr-  
296 NaBr+ sodium bromide cation nabr+  
297 KBr Potassium Bromide kbr  
298 LiI Lithium Iodide lii  
299 NaI Sodium Iodide nai  
300 KI Potassium Iodide ki  
301 LiF- lithium fluoride anion lif-  
302 BeF Beryllium monofluoride bef  
303 BeF+ Beryllium monofluoride cation bef+  
304 BeCl beryllium monochloride becl  
305 MgF Magnesium monofluoride mgf  
306 MgF- magnesium fluoride anion mgf-  
307 CaF Calcium monofluoride caf  
308 MgCl magnesium monochloride mgcl  
309 MgCl- magnesium monochloride anion mgcl-  
310 MgCl+ magnesium monochloride cation mgcl+  
311 CaCl calcium monochloride cacl  
312 TiCl Titanium Monochloride ticl  
313 ZnF- Zinc monofluoride anion znf-  
314 ZnF+ Zinc monofluoride cation znf+  
315 ZnCl Zinc monochloride zncl  
316 CaBr Calcium monobromide cabr  
317 BeCl- beryllium monochloride anion becl-  
318 BeCl+ beryllium monochloride cation becl+  
319 BF- Boron monofluoride anion bf-  
320 BF+ Boron monofluoride cation bf+  
321 AlF- Aluminum monofluoride anion alf-  
322 AlF+ Aluminum monofluoride cation alf+  
323 BCl boron monochloride bcl  
324 BCl- boron monochloride anion bcl-  
325 BCl+ boron monochloride cation bcl+  
326 AlCl- aluminum monochloride anion alcl-  
327 AlCl+ aluminum monochloride cation alcl+  
328 AlI Aluminum monoiodide ali  
329 CF- carbon monofluoride anion cf-  
330 CF+ carbon monofluoride cation cf+  
331 CCl carbon monochloride ccl  
332 CCl- carbon monochloride anion ccl-  
333 CCl+ carbon monochloride cation ccl+  
334 SiCl- silicon monochloride anion sicl-  
335 SiCl+ silicon monochloride cation sicl+  
336 NF nitrogen fluoride nf  
337 NF- nitrogen monofluorine anion nf-  
338 NF+ nitrogen monofluoirde cation nf+  
339 NCl- nitrogen monochloride anion ncl-  
340 NCl+ nitrogen monochloride cation ncl+  
341 PF phosphorus monofluoride pf  
342 PF- phosphorus monofluoride anion pf-  
343 PF+ phosphorus monofluoride cation pf+  
344 PCl phosphorus chloride pcl  
345 PCl- phosphorus monochloride anion pcl-  
346 PCl+ phosphorus monochloride cation pcl+  
347 SbF Antimony monofluoride sbf  
348 SbCl Antimony monochloride sbcl  
349 FO- flourine oxide anion fo-  
350 FO+ fluorine monoxide cation fo+  
351 ClO- chlorine monoxide anion clo-  
352 SF- sulfur monofluoride anion sf-  
353 SCl- sulfur monochloride anion scl-  
354 IO Iodine monoxide io  
355 ClF- clorine monofluoride anion clf-  
356 BrF- bromine fluoride anion brf-  
357 BrF+ bromine fluoride cation brf+  
358 BrCl- bromine chloride anion brcl-  
359 BrCl+ bromine chloride cation brcl+  
360 IF Iodine monofluoride if  
361 ICl Iodine monochloride icl  
362 IBr Iodine monobromide ibr  
363 I2 Iodine diatomic i2  
364 I2+ Iodine diatomic cation i2+  
365 CHBr bromomethylene chbr  
366 DOCl Hypochlorous acid-d docl  
367 HOI Hypoiodous acid hoi  
368 FHF Hydrogen difluoride fhf  
369 FHF- Hydrogen difluoride anion fhf-  
370 NH2F monofluoroamine nh2f  
371 H2F2 Hydrogen fluoride dimer h2f2  
372 CH3Cl+ Methyl chloride cation ch3cl+  
373 SiH3Br bromosilane sih3br  
374 CH3I methyl iodide ch3i  
375 SiH3I Silyl Iodide sih3i  
376 Ne2 Neon diatomic ne2  
377 C3+ carbon trimer cation c3+  
378 C3H3 cyclopropenyl radical cpr  
379 C3H3 Propargyl radical propargyl  
380 C3H3- Propargyl anion c3h3-  
381 C3H3+ cyclopropenyl cation cpr+  
382 C3H3+ Propargyl cation c3h3+  
383 C3H5 Allyl radical allyl  
384 C3H5+ Allyl cation allyl+  
385 CH3CHCH 1-propenyl radical ch3chch  
386 Zn(CH3)2 dimethyl zinc dmz  
387 C3H6 Cyclopropane c3h6  
388 C3H7+ cyclopropane, protonated c3h7+  
389 CH3CHCH3 Isopropyl radical isopropyl  
390 C3H8 Propane propane  
391 SiH2(CH3)2 dimethylsilane dms  
392 KCN Potassium cyanide kcn  
393 CuCN Copper cyanide cucn  
394 N3- azide anion n3-  
395 HCCN cyanomethylene hccn  
396 HCNN diazomethyl radical hcnn  
397 CH2N2 diazirine ch2n2  
398 CH2NN diazomethane ch2nn  
399 NH2CN cyanamide cyanamide  
400 CH3CN- acetonitrile anion ch3cn-  
401 CH3CN+ Acetonitrile cation ch3cn+  
402 CH3NC methyl isocyanide ch3nc  
403 CHNCH2 2H-Azirine c157164  
404 CHNHCH 1H-Azirine chnhch  
405 H2CCNH Ethenimine ch2cnh  
406 H2CNCH methyleneaminomethylene ch2nch  
407 HCCNH2 Ethynamine hccnh2  
408 NCNH3+ Cyanamide, protonated ncnh3+  
409 CH2CHNH vinylazine ch2chnh  
410 CH3CHN methylmethaniminyl radical ch3chn  
411 NHCHNH2 aminomethanimine cn2h4  
412 C2H5N Aziridine c2h5n  
413 CH2CHNH2 aminoethene aminoethene  
414 CH2NCH3 N-methylmethanimine nmm  
415 CH3CHNH ethanimine ethanimine  
416 NH2BHNH2 diaminoborane nh2bhnh2  
417 C2H5NH+ Protonated Aziridine c2h5nh+  
418 NH2CH2NH2 diaminomethane nh2ch2nh2  
419 CH3NHCH3 Dimethylamine ch3nhch3  
420 CH3PHCH3 dimethylphosphine ch3phch3  
421 NH2CH2NH3+ diaminoethane, protonated pdam  
422 (CH3)2NH2+ dimethylammonium cation dmam  
423 CH3CH2NH3+ ethylamine, protonated pea  
424 Li2O+ dilithium oxide cation li2o+  
425 CNO- fulminate cno-  
426 NCO- cyanate nco-  
427 SCN thiocyanato radical scn  
428 SCN- thiocyanide anion scn-  
429 BO2 Boron dioxide bo2  
430 BO2- Boron dioxide anion bo2-  
431 BO2+ Boron dioxide cation bo2+  
432 N2O- Nitrous oxide anion n2o-  
433 N2O+ Nitrous oxide cation n2o+  
434 PPO Phosphorus oxide phosphide ppo  
435 CO2- Carbon dioxide anion co2-  
436 OCS+ Carbonyl sulfide cation cos+  
437 SiO2 silicon dioxide sio2  
438 CS2+ Carbon disulfide cation cs2+  
439 SiS2 Silicon disulfide sis2  
440 CSe2 Carbon diselenide cse2  
441 SCTe Carbon sulfide Telluride scte  
442 NO2- Nitrogen dioxide anion no2-  
443 PO2 Phosphorus dioxide po2  
444 PO2- Phosphorus dioxide anion po2-  
445 PO2+ Phosphorus dioxide cation po2+  
446 AsO2 Aresenic dioxide aso2  
447 O3- Ozone anion o3-  
448 O3+ Ozone cation o3+  
449 SO2- Sulfur dioxide anion so2-  
450 SO2+ Sulfur dioxide cation so2+  
451 S3- Sulfur trimer anion s3-  
452 TeO2 Tellurium Dioxide teo2  
453 CS2H+ Carbon disulfide, protonated cs2h+  
454 HNCO Isocyanic acid hnco  
455 HOCN cyanic acid hocn  
456 HNCS Isothiocyanic acid hncs  
457 HSCN thiocyanic acid hscn  
458 HCO2- formate anion hco2-  
459 HNNO nitrosoazane hnno  
460 HNNO+ Nitrous oxide, N-protonated hnno+  
461 NNOH+ Nitrous Oxide, O-protonated nnoh+  
462 HOCO+ Hydrocarboxyl cation hoco+  
463 HNO2 Nitrous acid hno2  
464 HNO2+ nitrous acid cation hno2+  
465 SO2H+ protonated sulfur dioxide so2h+  
466 CH2CO+ Ketene cation ch2co+  
467 HCCOH ethynol hccoh  
468 Mg(OH)2 Magnesium dihydroxide h2mgo2  
469 NH2NO Nitrosamide nh2no  
470 CH2O2 Dioxirane diox  
471 H2O3 Hydrogen trioxide h2o3  
472 HSSSH trisulfane hsssh  
473 NaOCH3 Sodium methoxide naoch3  
474 CH2CHO Vinyloxy radical ch2cho  
475 CH3CO Acetyl radical ch3co  
476 CH3CO- Acetyl anion ch3co-  
477 CH3CO+ acetyl cation ch3co+  
478 CH2NOH formaldoxime ch2noh  
479 CH3NO nitrosomethane ch3no  
480 CHSNH2 thioformamide chsnh2  
481 CH2OOH CH2OOH radical ch2ooh  
482 CH3OO methylperoxy radical ch3oo  
483 CH3OO- methylperoxy anion ch3oo-  
484 CH3OO+ methylperoxy cation ch3oo+  
485 CH2CHOH ethenol ch2choh  
486 CH3CHS Thioacetaldehyde ch3chs  
487 H2CONH2+ protonated formamide h2conh2+  
488 NH3CHO+ Formamide, N-Protonated nh3cho+  
489 CH2(OH)2 methanediol ch2o2h2  
490 CH3OOH Methyl peroxide ch3ooh  
491 H2OH2CO water formaldehyde dimer h2oh2co  
492 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
493 CH3CH2O Ethoxy radical ethoxy  
494 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
495 CH3CHOH+ acetaldehyde, protonated ch3choh+  
496 CH3OCH2 methoxymethyl radical ch3och2  
497 NH2CH2OH aminomethanol nh2ch2oh  
498 CH3CH2OH Ethanol etoh  
499 CH3OCH3 Dimethyl ether meome  
500 CH3SeCH3 dimethylselenide dmse  
501 CH3OHH2O methanol water dimer ch3ohh2o  
502 H2OCH3OH water methanol dimer h2och3oh  
503 CuF2 Copper difluoride cuf2  
504 ZnF2 Zinc difluoride znf2  
505 FCN Cyanogen fluoride fcn  
506 ClCN chlorocyanogen clcn  
507 ICN Cyanogen iodide icn  
508 BeF2 Beryllium fluoride bef2  
509 BeCl2 Beryllium chloride becl2  
510 MgCl2 Magnesium dichloride mgcl2  
511 CaCl2 Calcium Chloride cacl2  
512 ZnCl2 Zinc dichloride zncl2  
513 CaBr2 Calcium dibromide cabr2  
514 CaF2 Calcium difluoride caf2  
515 BrNO Nitrosyl bromide brno  
516 INO Nitrosyl iodide ino  
517 CF2- Difluoromethylene anion cf2-  
518 CF2+ Difluoromethylene cation cf2+  
519 SiF2+ Silicon difluoride cation sif2+  
520 CCl2 dichloromethylene ccl2  
521 CCl2- dichloromethylene anion ccl2-  
522 CCl2+ dichloromethylene cation ccl2+  
523 SiCl2 Dichlorosilylene sicl2  
524 CBr2 dibromomethylene cbr2  
525 FOO Dioxygen monofluoride radical foo  
526 ClOO chloroperoxy radical cloo  
527 ClOO+ chloroperoxy cation cloo+  
528 OClO+ Chlorine dioxide cation oclo+  
529 ClS2 Sulfur chloride cls2  
530 NF2 Difluoroamino radical nf2  
531 NF2+ Difluoroamino cation nf2+  
532 F2O Difluorine monoxide f2o  
533 SF2+ sulfur difluoride cation sf2+  
534 Cl2O Dichlorine monoxide cl2o  
535 BrOCl Bromine hypochlorite brocl  
536 BrOBr Bromine oxide brobr  
537 F3- trifluoride anion f3-  
538 Cl3- trichloride anion cl3-  
539 I3- triiodide i3-  
540 HCCF+ fluoroacetylene cation hccf+  
541 HCCCl Chloroacetylene hcccl  
542 HCCBr bromoacetylene hccbr  
543 HFCO formyl fluoride hfco  
544 HFCO+ formyl fluoride cation hfco+  
545 COHCl Formyl chloride cohcl  
546 COHBr Formyl bromide cohbr  
547 BHF2 Difluoroborane bhf2  
548 BHCl2 Borane, dichloro- bhcl2  
549 CHCl2 dichloromethyl radical chcl2  
550 CHBr2 dibromomethyl radical chbr2  
551 HOClO Chlorous acid hoclo  
552 CH2FCl fluorochloromethane ch2fcl  
553 CH2BrF Methane, bromofluoro- ch2fbr  
554 CH2FI fluoroiodomethane ch2fi  
555 CH2ClI chloroiodomethane ch2cli  
556 CH2BrI bromoiodomethane ch2bri  
557 CH2I2 Diiodomethane ch2i2  
558 SiH2Cl2 dichlorosilane sih2cl2  
559 CH2CHF+ fluoroethene cation ch2chf+  
560 C2H3Cl Ethene, chloro- ch2chcl  
561 C2H3Br vinyl bromide c2h3br  
562 C2H3I Vinyl iodide c2h3i  
563 CH3OCl methyl hypochlorite ch3ocl  
564 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
565 CHClCH3 1-chloroethyl radical chclch3  
566 C2H5F fluoroethane c2h5f  
567 CH3CH2Cl Ethyl chloride c2h5cl  
568 CH3SiFH2 fluoromethylsilane ch3sifh2  
569 C2H5Br Ethyl bromide etbr  
570 C2H5I Ethyl iodide c2h5i  
571 XeF2 Xenon difluoride xef2  
572 B4H10 Tetraborane(10) b4h10  
573 C4+ Carbon tetramer cation c4+  
574 C4H2 Diacetylene c4h2  
575 C4H2+ diacetlyene cation c4h2+  
576 C2H3CCH 1-Buten-3-yne c2h3cch  
577 C4H4 cyclobutadiene cbd  
578 H2CCCCH2 Butatriene h2cccch2  
579 C4H6 Cyclobutene c822355  
580 C4H6 Methylenecyclopropane c6142730  
581 CH2CCHCH3 1,2-Butadiene butad12  
582 CH2CHCHCH2 1,3-Butadiene c106990  
583 CH3CCCH3 2-Butyne c503173  
584 CHCCH2CH3 1-Butyne c107006  
585 CH3CHCHCH2 methylallyl radical c4h7  
586 C4H8 methylcyclopropane mcp  
587 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
588 CH2CHCH2CH3 1-Butene bute1  
589 CH3CHCHCH3 2-Butene, (E)- bute2e  
590 CH3CHCHCH3 2-Butene, (Z)- bute2z  
591 B(CH3)3 trimethylborane bme3  
592 Al(CH3)3 trimethyl aluminum tma  
593 C(CH3)3 Tert-butyl radical tbutyl  
594 CH2CH(CH3)2 Isobutyl radical isobutyl  
595 CH3CHCH2CH3 2-Butyl radical butyl2  
596 CH3CH(CH3)CH3 Isobutane isobutane  
597 SiH(CH3)3 trimethylsilane trimsi  
598 C2N2+ Cyanogen cation c2n2+  
599 P4 Phosphorus tetramer p4  
600 As4 Arsenic tetramer as4  
601 HCCCN Cyanoacetylene hcccn  
602 C3H3N acrylonitrile ch2chcn  
603 C3H3N+ acrylonitrile cation ch2chcn+  
604 CH3N3 methyl azide ch3n3  
605 NH2CCNH2 Diaminoacetylene daa  
606 NH2CH2CN Aminoacetonitrile aan  
607 CH3NHN2+ methyl azide, protonated ch3nhn2+  
608 C2H5CN ethyl cyanide c2h5cn  
609 CH5N3 Guanidine guanidine  
610 C4H6 Bicyclo[1.1.0]butane c157335  
611 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
612 H2NCHCHNH2 diaminoethylene dae  
613 CH6N3+ guanidinium ch6n3+  
614 C3H7N Cyclopropylamine cpram  
615 CH7N3 triaminomethane tam  
616 C3H7N Azetidine azet  
617 C4H8 cyclobutane cbutane  
618 C2H8N2 Ethylenediamine ethdiam  
619 CH3NHNHCH3 dimethyl hydrazine dmh  
620 CH3CH(NH2)CH3 2-Propanamine pram2  
621 N(CH3)3 Trimethylamine trimeam  
622 NH2CH2CH2CH3 1-Propanamine pram1  
623 P(CH3)3 trimethylphosphine tmp  
624 N(SiH3)3 trisilylamine tsa  
625 As(CH3)3 trimethyl arsine tmas  
626 (CH3)3NH+ protonated trimethyl amine ptma  
627 C3H7NH3+ n-propylamine, protonated c3h7nh2  
628 Li2O2 dilithium dioxide li2o2  
629 K2O2 dipotassium dioxide k2o2  
630 B2O2 Diboron dioxide b2o2  
631 CO3 Carbon trioxide co3  
632 CO3-- carbonate co3--  
633 CS3-- Carbonotrithioate cs3--  
634 NO3 Nitrogen trioxide no3  
635 NO3+ nitrogen trioxide cation no3+  
636 SO3- Sulfur trioxide anion so3-  
637 SO3+ Sulfur trioxide cation so3+  
638 SeO3 selenium trioxide seo3  
639 TeO3 Tellurium trioxide teo3  
640 HCO3- bicarbonate anion hco3-  
641 HSO3 Hydroxysulfonyl radical hso3  
642 NH2NO2 nitramide nh2no2  
643 C2H2CO cyclopropenone c2h2co  
644 HCCCHO 2-propynal hcccho  
645 C2H2O2+ Ethanedial cation c2h2o2+  
646 H2CO3 Carbonic acid h2co3  
647 H2CS3 thiocarbonic acid h2cs3  
648 H2NO3+ Nitric Acid, Protonated h2no3+  
649 H2SO3 Sulfurous acid h2so3  
650 C2H3NO Nitrosoethylene c2h3no  
651 CH3NCO methylisocyante ch3nco  
652 HOCH2CN cyanomethanol hoch2cn  
653 CH3COO- acetate anion ch3coo-  
654 CH3ONO Methyl nitrite ch3ono  
655 NH2COOH Carbamic acid nh2cooh  
656 H3BO3 Boric acid h3bo3  
657 H3CO3+ carbonic acid, protonated h3co3+  
658 C3H4O 2-Propyn-1-ol c107197  
659 C3H4O allenol c9000071  
660 C3H4O Cyclopropanone cpone  
661 C3H4O Methylketene c6004440  
662 NH2CONH2 Urea urea  
663 NH2CONH2+ Urea cation urea+  
664 NH2CSNH2 Thiourea thiourea  
665 C2H4O2 1,3-dioxetane c2h4o2  
666 CH3COOH Acetic acid ch3cooh  
667 CH3OCHO methyl formate ch3ocho  
668 CHOCH2OH hydroxy acetaldehyde haa  
669 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
670 NH3COOH+ protonated Carbamic acid nh3cooh+  
671 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
672 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
673 HCOOHH2O Formic acid water dimer hcoohh2o  
674 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
675 CH2C(OH)NH2 1-amino vinyl alchohol ava  
676 CH3C(OH)=NH Ethaninidic acid eia  
677 CH3CHNOH Acetaldoxime acetaldoxime  
678 CH3CONH2 Acetamide acetamide  
679 HCONHCH3 N-methylformamide nmfa  
680 CH3CSNH2 Ethanethioamide ch3csnh2  
681 CH5N2O+ urea, N-protonated ch4n2o+  
682 H2NCOHNH2+ urea, protonated ureah+  
683 C2H5OO ethylperoxy radical c2h5oo  
684 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
685 C3H5OH Cyclopropanol cproh  
686 C3H6O 2-Propen-1-ol c107186  
687 C3H6O Acetone enol enol  
688 C3H6O Oxetane oxetane  
689 C3H6O Propylene oxide prox  
690 CH3COCH3 Acetone acetone  
691 CH3COCH3- acetone anion ch3coch3-  
692 C3H6S Thietane thietane  
693 C3H6S Thiirane, methyl- methiirane  
694 CH3CSCH3 Thioacetone ch3csch3  
695 C2H6O2 1,2-Ethanediol ethdiol  
696 CH3OOCH3 dimethylperoxide dmp  
697 CH3SOCH3 Dimethyl sulfoxide dmso  
698 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
699 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
700 CH3COHCH3+ acetone, protonated acetoneh+  
701 HOCH2CH2NH2 monoethanolamine mea  
702 C3H7OH 1-Propanol proh  
703 CH3CHOHCH3 Isopropyl alcohol isoproh  
704 CH3OC2H5 Ethane, methoxy- etome  
705 C3H7SH 1-Propanethiol prsh  
706 CH3CHSHCH3 2-Propanethiol isoprsh  
707 CH3SCH2CH3 Ethane, (methylthio)- etsme  
708 H2OCH3OCH3 water dimethylether dimer h2och3och3  
709 Na2F2 Sodium Fluoride Dimer na2f2  
710 Na2Cl2 Disodium dichloride na2cl2  
711 C2F2 difluoroacetylene c2f2  
712 C2Cl2 dichloroacetylene c2cl2  
713 C2Cl2+ dichloroacetylene cation c2cl2+  
714 FNO2 Nitryl fluoride fno2  
715 FONO Nitrosyl hypofluorite fono  
716 ClNO2 Nitryl chloride clno2  
717 ClONO chlorine nitrite clono  
718 BrONO Bromine nitrite brono  
719 N2F2 (Z)-Difluorodiazene n2f2_z  
720 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
721 COFCl Carbonic chloride fluoride cofcl  
722 CCl2O Phosgene cl2co  
723 COBr2 Carbonic dibromide cobr2  
724 BF3- Borane, trifluoro- anion bf3-  
725 BClF2 Chlorodifluoroborane bclf2  
726 AlF2Cl Aluminum chloride difluoride alclf2  
727 ScF3 Scandium trifluoride ScF3  
728 AlFCl2 Aluminum dichloride fluoride alcl2f  
729 AlCl3 Aluminum trichloride alcl3  
730 GaCl3 Gallium trichloride gacl3  
731 BBr3 Boron tribromide bbr3  
732 AlBr3 Aluminum Bromide albr3  
733 ClO3 Chlorine trioxide clo3  
734 ClO3- chlorate anion clo3-  
735 BrO3- Bromate anion bro3-  
736 CF3 Trifluoromethyl radical cf3  
737 CF3- Trifluoromethyl anion cf3-  
738 CF3+ Trifluoromethyl cation cf3+  
739 SiF3 Silicon trifluoride radical sif3  
740 SiF3+ Silicon trifluoride cation sif3+  
741 CCl3 Trichloromethyl radical ccl3  
742 CCl3- Trichloromethyl anion ccl3-  
743 CCl3+ Trichloromethyl cation ccl3+  
744 SiCl3 trichlorosilyl radical sicl3  
745 SiCl3+ trichlorosilyl cation sicl3+  
746 CBr3 tribromomethyl radical cbr3  
747 FOOF Perfluoroperoxide foof  
748 F2SO Thionyl Fluoride f2so  
749 ClOOCl Dichlorine dioxide cloocl  
750 FSSF Difluorodisulfane fssf  
751 S2F2 Thio-thionyl fluoride s2f2  
752 SOCl2 thionyl chloride socl2  
753 SeOCl2 selenium oxychloride seocl2  
754 NF3- Nitrogen trifluoride anion nf3-  
755 NF3+ Nitrogen trifluoride cation nf3+  
756 PF3 Phosphorus trifluoride pf3  
757 NCl3 nitrogen trichloride ncl3  
758 AsF3 Arsenic trifluoride asf3  
759 PCl3 Phosphorus trichloride pcl3  
760 SbF3 Antimony Trifluoride sbf3  
761 AsCl3 Arsenous trichloride ascl3  
762 SbCl3 Antimony Trichloride sbcl3  
763 NBr3 Nitrogen Tribromide nbr3  
764 PBr3 Phosphorus tribromide pbr3  
765 AsBr3 Arsenic tribromide asbr3  
766 NI3 Nitrogen triiodide ni3  
767 PI3 Phosphorus triiodide pi3  
768 ClSSCl Disulfur dichloride s2cl2  
769 SF3 Sulfur trifluoride sf3  
770 ClF3 Chlorine trifluoride clf3  
771 BrF3 Bromine trifluoride brf3  
772 IF3 iodone trifluoride if3  
773 CHF2Cl difluorochloromethane chf2cl  
774 CHFCl2 fluorodichloromethane chfcl2  
775 CDCl3 trichloromethane-d cdcl3  
776 CHCl3 Chloroform chcl3  
777 SiHCl3 Trichlorosilane sihcl3  
778 CHFClBr fluorochlorobromomethane chfclbr  
779 CHBrCl2 Methane, bromodichloro- chbrcl2  
780 CHF2I difluoroiodomethane chf2i  
781 CHBr2F dibromofluoromethane chbr2f  
782 CHFClI fluorochloroiodomethane chfcli  
783 CHCl2I dichloroiodomethane chcl2i  
784 CHClBr2 Methane, dibromochloro- chclbr2  
785 CHBr3 bromoform chbr3  
786 CHI3 Iodoform chi3  
787 NF3H+ protonated nitrogen trifluoride nf3h+  
788 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
789 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
790 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
791 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
792 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
793 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
794 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
795 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
796 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
797 C2H2Br2 1,1-dibromoethene c2h2br2  
798 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
799 CH2FCHO Fluoroacetaldehyde ch2fcho  
800 CH3COF Acetyl fluoride ch3cof  
801 CH2ClCHO chloroacetaldehyde ch2clcho  
802 CH3COCl Acetyl Chloride ch3cocl  
803 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
804 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
805 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
806 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
807 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
808 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
809 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
810 CH2CFCH3 2-fluoropropene 2fpro  
811 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
812 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
813 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
814 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
815 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
816 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
817 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
818 CH2FCH2CH3 1-Fluoropropane prf1  
819 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
820 CH3CHClCH3 Propane, 2-chloro- prcl2  
821 CH3CH2CH2Br n-propyl bromide prbr  
822 CH3CHBrCH3 i-propyl bromide iprbr  
823 C3H9O+ trimethyl oxonium cation c3h9o+  
824 B5H9 pentaborane9 b5h9  
825 C5H4 pentatetraene ptrene  
826 C5H5 cyclopentadienyl radical c5h5  
827 C5H5- cylopentadienyl anion c5h5-  
828 C5H6 1,3-Cyclopentadiene c542927  
829 C5H6 1-Buten-3-yne, 2-methyl- c78808  
830 C5H6 3-Penten-1-yne, (E)- c2004695  
831 C5H6 3-Penten-1-yne, (Z)- c1574409  
832 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
833 C5H6 Cyclopropylacetylene c6746947  
834 C5H6 Propellane propellane  
835 C5H7 1,3-pentadienyl radical pdyl  
836 C5H7 cyclopentenyl radical cpyl  
837 C5H8 1,2-Butadiene, 3-methyl- c598254  
838 C5H8 1,2-Pentadiene c591957  
839 C5H8 1,3-Butadiene, 2-methyl- c78795  
840 C5H8 1,3-Pentadiene, (E)- c2004708  
841 C5H8 1,3-Pentadiene, (Z)- c1574410  
842 C5H8 1,4-Pentadiene c591935  
843 C5H8 1-pentyne a1pentyne  
844 C5H8 2,3-Pentadiene c591968  
845 C5H8 Cyclobutane, methylene- c1120565  
846 C5H8 Cyclopentene c142290  
847 C5H8 Ethenylcyclopropane c693867  
848 CH3CCCH2CH3 2-Pentyne 2pentyne  
849 C5H10 1-Butene, 2-methyl- c563462  
850 C5H10 2-Butene, 2-methyl- c513359  
851 C5H10 2-Pentene, (E)- c646048  
852 C5H10 2-Pentene, (Z)- c627203  
853 C5H10 Cyclopentane c287923  
854 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
855 CH2CHCH2CH2CH3 1-pentene pentene  
856 C5H11 2-Methylbut-2-yl radical c4348350  
857 C5H12 Butane, 2-methyl- buta2  
858 C5H12 Pentane pentane  
859 C5H12 Propane, 2,2-dimethyl- neopentane  
860 Si(CH3)4 tetramethylsilane tms  
861 N2O3 Dinitrogen trioxide n2o3  
862 C3H2N2 Malononitrile c3h2n2  
863 CH2N4 1H-Tetrazole 1htz  
864 C3H3N2 imidazolyl radical im  
865 C3H3N2- imidizolyl anion im-  
866 C2H3N3 1H-1,2,4-Triazole c288880  
867 C4H4N pyrrolide radical c4h4n  
868 C4H4N- pyrrolide anion c4h4n-  
869 C3H4N2 1H-Imidazole 1himidaz  
870 C3H4N2 1H-Pyrazole 1hpyraz  
871 C3H4N2 2H-Imidazole imid2h  
872 C3H4N2 4H-Imidazole imid4h  
873 C4H5N (E)-2-Butenenitrile c627269  
874 C4H5N (Z)-2-Butenenitrile c1190767  
875 C4H5N 2H-pyrrole pyrrole2  
876 C4H5N 3H-pyrrole pyrrole3  
877 C4H5N Cyclopropanecarbonitrile c5500210  
878 C4H5N Pyrrole pyrrole  
879 CH2CHCH2CN Allylcyanide ch2chch2cn  
880 C4H6N+ pyrrole, alpha-protonated appyr  
881 C4H6N+ pyrrole, beta-protonated bppyr  
882 C4H6N+ pyrrole, protonated ppyr  
883 C3H6N2 3-Aminopropionitrile c151188  
884 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
885 CH3CH2CH2CN Butanenitrile c109740  
886 C5H8 Bicyclo[2.1.0]pentane c185944  
887 C5H8 Spiropentane c157404  
888 C4H9N Cyclobutylamine cbam  
889 C4H9N Pyrrolidine pyrrolidine  
890 C3H10N2 1,2-Diaminopropane diampr12  
891 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
892 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
893 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
894 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
895 NH(C2H5)2 diethylamine dea  
896 NC4H12+ tetramethyl ammonium cation nc4h12+  
897 C3O2+ Carbon suboxide cation c3o2+  
898 MgCO3 Magnesium Carbonate mgco3  
899 BeCO3 Beryllium Carbonate beco3  
900 CaCO3 Calcium Carbonate caco3  
901 ONONO Nitrosyl nitrite onono  
902 PO4--- phosphate po4---  
903 SO4-- sulfate so4--  
904 HOONO2 peroxy nitric acid hoono2  
905 HSO4- bisulfate anion hso4-  
906 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
907 C3H2O2 Propiolic acid c3h2o2  
908 CHOCOOH oxo acetic acid oaa  
909 CHOOCHO diformyl ether choocho  
910 H2SO4 Sulfuric acid h2so4  
911 H2SeO4 Selenic acid h2seo4  
912 C3H3NO Oxazole oxazole  
913 C3H3NS Thiazole thiazole  
914 CH3C(O)OO acetyl peroxy radical ch3coo2  
915 CH3NO3 Methyl nitrate ch3no3  
916 H3PO4 Phosphoric Acid h3po4  
917 C4H4O Furan furan  
918 C4H4O+ Furan cation furan+  
919 CH3COCCH 3-butyn-2-one c1423605  
920 C4H4S Thiophene furans  
921 C4H4Se selenophene c4h4se  
922 C3H4O2 β–Propiolactone beta  
923 C3H4O2 2-Propenoic acid propenoic2  
924 C3H4O2 Methyl glyoxal megly  
925 C3H4O2 propanedial propanedial  
926 C3H4O2 propenalol propenalol  
927 HOCHCCHOH allenediol aldiol  
928 C2H4O3 1,2,3-trioxolane c2h4o3  
929 C2H4O3 trioxolane124 triox  
930 HOCH2COOH Hydroxyacetic acid hac  
931 CH2CHCONH2 Acrylamide c79061  
932 CH3OCH2CN Methoxyacetonitrile c1738369  
933 CH5N3S Hydrazinecarbothioamide c79196  
934 H2NCH2COOH Glycine glycine  
935 CH3SO2NH2 methanesulfonamide ch3so2nh2  
936 C4H6O cis-2-butenal butenal2c  
937 C4H6O Cyclobutanone cbutone  
938 C4H6O Furan, 2,3-dihydro- furan23h  
939 C4H6O Furan, 2,5-dihydro- furan25h  
940 CH2CHOCHCH2 Vinyl ether vinylether  
941 CHOCHCHCH3 2-Butenal butenal2  
942 C4H6S Thiophene, 2,3-dihydro- thiop23h  
943 C4H6S Thiophene, 2,5-dihydro- thiop25h  
944 CH2CHSCHCH2 Divinyl sulfide divis  
945 C2H6N2O Urea, methyl- c598505  
946 C3H6O2 1,3-Dioxolane dioxolane  
947 CH3CH2COOH Propanoic Acid propanoic  
948 CH3COOCH3 methyl acetate aame  
949 HCOOC2H5 Ethyl formate faee  
950 C2H6O2S Dimethyl sulfone c67710  
951 CH3SSSCH3 dimethyl trisulfide c2h6s3  
952 C3H7NO dimethylformamide dmf  
953 C3H7NO Propanamide propanam  
954 C2H3OC2H5 Ethene, ethoxy- c109922  
955 C4H8O Cyclobutanol c2919235  
956 C4H8O Furan, tetrahydro- thf  
957 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
958 CH3COCH2CH3 2-Butanone buta2one  
959 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
960 CHOCH2CH2CH3 Butanal butanal  
961 C4H8S Thiophene, tetrahydro- tht  
962 C3H8O2 1,3-Propanediol c504632  
963 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
964 C3H8O2 Methane, dimethoxy- c109875  
965 C3H8O2 Propylene glycol c57556  
966 C3H8S2 1,3-Propanedithiol c109808  
967 C4H10O 1-Butanol butanol1  
968 C4H10O 1-Propanol, 2-methyl- c78831  
969 C4H10O 2-Butanol, (.+/-.)- butanol2  
970 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
971 C4H10O Ethoxy ethane etoet  
972 C4H10O Methyl propyl ether meopr  
973 C4H10O Propane, 2-methoxy- c598538  
974 C4H10O+ 1-Butanol cation butanol1+  
975 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
976 C2H5SC2H5 Diethyl sulfide etset  
977 C4H9SH 1-Butanethiol bush  
978 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
979 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
980 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
981 FNO3 Fluorine nitrate fno3  
982 ClONO2 Chlorine nitrate clono2  
983 BrONO2 Bromine nitrate brono2  
984 TiCl4 Titanium tetrachloride ticl4  
985 ClO4- perchlorate anion clo4-  
986 BF4- tetrafluoroboron anion bf4-  
987 ClFO3 Perchloryl fluoride clfo3  
988 SO2F2 Sulfuryl fluoride so2f2  
989 SO2Cl2 Sulfuryl chloride so2cl2  
990 F3NO Nitrogen trifluoride oxide f3no  
991 F3PO Phosphoryl fluoride pf3o  
992 Cl3PO Phosphoryl chloride pcl3o  
993 CF4 Carbon tetrafluoride cf4  
994 SiF4 Silicon tetrafluoride sif4  
995 TiF4 Titanium tetrafluoride tif4  
996 CFCl3 Trichloromonofluoromethane cfcl3  
997 CF3Br Bromotrifluoromethane cf3br  
998 GeF4 Germanium tetrafluoride gef4  
999 CCl4 Carbon tetrachloride ccl4  
1000 CCl4+ Carbon tetrachloride cation ccl4+  
1001 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1002 SiCl4 Silane, tetrachloro- sicl4  
1003 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1004 CF3I trifluoroiodomethane cf3i  
1005 CBrCl3 Methane, bromotrichloro- cbrcl3  
1006 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1007 GeCl4 Germanium Tetrachloride gecl4  
1008 CBr2ClF dibromochlorofluoromethane cbr2clf  
1009 CBr2Cl2 dibromodichloromethane cbr2cl2  
1010 CCl3I trichloroiodomethane ccl3i  
1011 CFBr3 fluorotribromomethane cfbr3  
1012 CFClBrI fluorochlorobromoiodomethane cfclbri  
1013 CBr3Cl tribromochloromethane cbr3cl  
1014 CF2I2 difluorodiiodomethane cf2i2  
1015 CBr4 Carbon tetrabromide cbr4  
1016 CCl2I2 dichlorodiiodomethane ccl2i2  
1017 SiBr4 Silicon tetrabromide sibr4  
1018 CBr3I tribromoiododmethane cbr3i  
1019 GeBr4 Germanium tetrabromide gebr4  
1020 CI4 tetraiodomethane ci4  
1021 SiI4 silicon tetraiodide sii4  
1022 ClOF3 Chlorine trifluoride oxide clof3  
1023 SeF4 Selenium tetrafluoride sef4  
1024 SCl4 Sulfur tetrachloride scl4  
1025 C2HF3 Trifluoroethylene c2hf3  
1026 C2HF3+ Trifluoroethylene cation c2hf3+  
1027 CHClCCl2 Trichloroethylene chclccl2  
1028 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1029 HClO4 perchloric acid hclo4  
1030 HSO3F Fluorosulfonic acid hso3f  
1031 CF3OH trifluoromethanol cf3oh  
1032 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1033 CHClCCHCl 1,3-dichloroallene chclcchcl  
1034 CHCl2CHO dichloroacetaldehyde chcl2cho  
1035 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1036 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1037 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1038 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1039 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1040 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1041 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1042 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1043 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1044 NH3BCl3 Amminetrichloroboron nh3bcl3  
1045 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1046 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1047 C3H5ClO Oxirane, (chloromethyl)- c106898  
1048 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1049 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1050 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1051 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1052 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1053 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1054 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1055 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1056 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1057 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1058 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1059 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1060 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1061 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1062 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1063 C4H9F 1-fluorobutane butaf1  
1064 CH3CHFCH2CH3 2-fluorobutane butaf2  
1065 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1066 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1067 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1068 XeF4 Xenon tetrafluoride xef4  
1069 C2H2N2O Furazan furazan  
1070 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1071 NH3BF3 Amminetrifluoroboron nh3bf3  
1072 C6H2 hexatriyne c6h2  
1073 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1074 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1075 C6H4 Benzyne benzyne  
1076 C6H5 phenyl phenyl  
1077 C6H5- phenyl anion phenyl-  
1078 C6H6 Prismane prismane  
1079 C6H6 1,2,4,5-Hexatetraene ht1245  
1080 C6H6 2,4-Hexadiyne hexadiyne  
1081 C6H6 3,4-Dimethylenecyclobutene cb34m  
1082 C6H6 Benzene benzene  
1083 C6H6 Benzvalene bv  
1084 C6H6 Dewar Benzene dewar  
1085 C6H6 Hexa-1,5-diene-3-yne hdy153  
1086 C6H6 Trimethylenecycopropane tmcp  
1087 C6H6+ Benzene cation c6h6+  
1088 C6H7+ benzene, protonated c6h7+  
1089 C6H8 (E)-hexa-1,3,5-triene c821078  
1090 C6H8 (E)-hexa-2,3,4-triene c59660650  
1091 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1092 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1093 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1094 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1095 C6H8 3-Methylenecyclopentene c930267  
1096 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1097 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1098 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1099 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1100 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1101 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1102 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1103 C6H10 1,5-Hexadiene c592427  
1104 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1105 C6H10 1-Hexyne hexyne1  
1106 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1107 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1108 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1109 C6H10 2-Hexyne c764352  
1110 C6H10 3-Hexyne hexyne3  
1111 C6H10 cyclohexene cyclohexene  
1112 C6H10 Cyclopentene, 1-methyl- c693890  
1113 C6H10 Cyclopentene, 3-methyl- c1120623  
1114 C6H10 Cyclopentene, 4-methyl- c1759815  
1115 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1116 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1117 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1118 C6H12 (E)-2-Hexene e2hexene  
1119 C6H12 (E)-3-methylpent-2-ene c616126  
1120 C6H12 (E)-hex-3-ene e3hexene  
1121 C6H12 (Z)-3-methylpent-2-ene c922623  
1122 C6H12 (Z)-hex-2-ene z2hexene  
1123 C6H12 (Z)-hex-3-ene z3hexene  
1124 C6H12 2,3-dimethylbut-1-ene c563780  
1125 C6H12 2,3-dimethyl-but-2-ene tmeet  
1126 C6H12 3-methylenepentane c760214  
1127 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1128 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1129 C6H12 Cyclohexane cyclohexane  
1130 C6H12 Cyclopentane, methyl- c96377  
1131 C6H12 Ethylcyclobutane c4806615  
1132 C6H12 hex-1-ene hexene1  
1133 C6H14 Butane, 2,2-dimethyl- buta22  
1134 C6H14 Butane, 2,3-dimethyl- buta23  
1135 C6H14 Hexane hexane  
1136 C6H14 Pentane, 2-methyl- penta2  
1137 C6H14 Pentane, 3-methyl- penta3  
1138 C4N2 2-Butynedinitrile c4n2  
1139 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1140 C4H2N2 Fumaronitrile c4h2n2  
1141 C2H2N4 sym-tetrazine ttz  
1142 C3H3N3 1,3,5-Triazine triazine135  
1143 CH3N5 5-Aminotetrazole c4418615  
1144 C4H4N2 1,3-Diazine diazine13  
1145 C4H4N2 Pyrazine pyrazine  
1146 C4H4N2 Pyridazine pyridazine  
1147 C4H4N2 Succinonitrile c110612  
1148 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1149 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1150 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1151 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1152 C5H5N E-2,4-pentadienenitrile bdcn  
1153 C5H5N Pyridine pyridine  
1154 B3N3H6 borazine borazine  
1155 C6H6 Fulvene fulvene  
1156 C5H6N+ Pyridinium c5h6n  
1157 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1158 C5H7N (E)-2-Pentenenitrile c26294984  
1159 C5H7N (E)-3-Pentenenitrile c16529661  
1160 C5H7N (Z)-2-Pentenenitrile c25899507  
1161 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1162 C5H7N Cyclobutanecarbonitrile c4426113  
1163 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1164 C5H9N Butanenitrile, 2-methyl- c18936179  
1165 C5H9N Pentanenitrile c110598  
1166 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1167 C6H10 Bicyclo[3.1.0]hexane c285585  
1168 C5H11N Cyclopentanamine cypentam  
1169 C5H11N Piperidine piper  
1170 C4H12N2 1,2-Butanediamine c4426486  
1171 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1172 Li2CO3 Lithium Carbonate li2co3  
1173 Na2CO3 Sodium Carbonate na2co3  
1174 C2O4-- oxalate anion c2o4  
1175 MgSO4 Magnesium Sulfate mgso4  
1176 N2O4 Dinitrogen tetroxide n2o4  
1177 C2H2O4 Oxalic Acid oxalic  
1178 C2H3NO3 Oxamic acid oxamic  
1179 C4H4O2 2(5H)-Furanone furanone  
1180 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1181 C2H4N2O2 Oxalamide oxalamide  
1182 C2H4N2S2 Ethanedithioamide c79403  
1183 C2H4CO3 Ethylene carbonate etco3  
1184 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1185 C3H4S3 1,3-Dithiolane-2-thione c822388  
1186 C2H4O4 Formic acid dimer fadimer  
1187 C4H5NO 3-Methylisoxazole isox3m  
1188 C4H5NO Isoxazole, 5-methyl- c5765446  
1189 C4H5NS 4-Methylthiazole c693958  
1190 C2H5NO3 Nitric acid, ethyl ester c625581  
1191 C5H6O 2H-Pyran pyran2  
1192 C5H6O 2-methylfuran furan2m  
1193 C5H6O 3-Methylfuran furan3m  
1194 C5H6O Pentadienal pdal  
1195 C5H6S Thiophene, 2-methyl- c554143  
1196 C5H6S Thiophene, 3-methyl- c616444  
1197 C4H6O2 2,3-Butanedione c431038  
1198 C4H6O2 2-Propenoic acid, methyl ester c96333  
1199 C4H6O2 Crotonic Acid crot  
1200 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1201 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1202 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1203 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1204 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1205 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1206 C4H6OS Vinyl sulfoxide c1115157  
1207 CH6N4S Carbonothioic dihydrazide thiacarb  
1208 C2H6N2O2 (E)-Azodioxymethane c37765154  
1209 C2H6N2O2 Dimethylnitroamine c4164287  
1210 C3H6S3 1,3,5-Trithiane c3h6s3  
1211 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1212 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1213 C4H7NO 2-Pyrrolidinone c616455  
1214 C4H7NO Ethoxyacetonitrile etoaccn  
1215 C4H7NO Methacrylamide c79390  
1216 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1217 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1218 C3H7ONO Propyl nitrite prono  
1219 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1220 CH3CH(NH2)COOH Alanine alanine  
1221 CH3NHCH2COOH Sarcosine sarcosine  
1222 NH2CH2CH2COOH β–alanine betaalanine  
1223 NH2COOC2H5 Urethane urethane  
1224 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1225 C5H8O Cyclopentanone c120923  
1226 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1227 C5H8O Methyl cyclopropyl ketone c765435  
1228 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1229 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1230 NH2CONHC2H5 Urea, ethyl- c625525  
1231 C4H8O2 1,3-Dioxane dioxan13  
1232 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1233 C4H8O2 1,4-Dioxane dioxan14  
1234 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1235 C4H8O2 Ethyl acetate c141786  
1236 C4H8OS s-Ethyl thioacetate c625605  
1237 C3H8O3 1,2,3-Propanetriol glycerin  
1238 C3H8O2S (Methylsulfonyl)ethane c594434  
1239 C4H9NO Butanamide c541355  
1240 C4H9NO Propanamide, 2-methyl- c563837  
1241 C5H10O 2-Butanone, 3-methyl- c563804  
1242 C5H10O 2H-Pyran, tetrahydro- c142687  
1243 C5H10O 2-methylbutyraldehyde 2meba  
1244 C5H10O 2-Pentanone mpk  
1245 C5H10O 3-Pentanone dek  
1246 C5H10O Cyclopentanol c96413  
1247 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1248 C5H10O Pentanal pal  
1249 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1250 C5H10S 3-Ethylthio-1-propene c5296628  
1251 C5H10S Cyclopentanethiol c1679078  
1252 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1253 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1254 C4H10O2 1,1-Dimethoxyethane c534156  
1255 C4H10O2 1,3-Butanediol budiol13  
1256 C4H10O2 1,4-Butanediol budiol14  
1257 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1258 C4H10OS Diethyl sulfoxide c70291  
1259 C4H10S2 1,4-Butanedithiol budisl14  
1260 C4H11NO Diethylhydroxylamine c3710847  
1261 C5H12O 1-Butanol, 2-methyl- c137326  
1262 C5H12O 1-Butanol, 3-methyl- c123513  
1263 C5H12O 1-Pentanol pentanol1  
1264 C5H12O 2-Butanol, 3-methyl- c598754  
1265 C5H12O 2-Pentanol peol2  
1266 C5H12O 3-Pentanol pentan3ol  
1267 C5H12O Butane, 1-methoxy- meobu  
1268 C5H12O Propane, 1-ethoxy- proet  
1269 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1270 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1271 C5H12S 1-Butanethiol, 3-methyl- c541311  
1272 C5H12S 1-Pentanethiol c110667  
1273 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1274 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1275 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1276 C5H12S Butane, 1-(methylthio)- c628295  
1277 C5H12S Ethyl propyl sulfide c4110503  
1278 C5H12S Propane, 2-(ethylthio)- c5145993  
1279 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1280 C4F2 difluorobutadiyne c4f2  
1281 ClCOClCO Oxalyl chloride oxcl  
1282 CF3CN Acetonitrile, trifluoro- cf3cn  
1283 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1284 B2F4 Diboron tetrafluoride b2f4  
1285 B2Cl4 Diboron tetrachloride b2cl4  
1286 C2F4 Tetrafluoroethylene c2f4  
1287 C2F4+ Tetrafluoroethylene cation c2f4+  
1288 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1289 CF2CCl2 difluorodichloroethylene cf2ccl2  
1290 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1291 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1292 C2FCl3 fluorotrichloroethene c2fcl3  
1293 C2Cl4 Tetrachloroethylene c2cl4  
1294 C2Br4 tetrabromoethene c2br4  
1295 CF3OF Trifluoromethylhypofluorite cf3of  
1296 SiF5- silicon pentafluoride anion sif5-  
1297 SOF4 Sulfur tetrafluoride oxide sof4  
1298 AsF5 Arsenic pentafluoride asf5  
1299 PCl5 Phosphorus pentachloride pcl5  
1300 SF5 Sulfur pentafluoride sf5  
1301 SF5+ pentafluoro sulfur cation sf5+  
1302 SbCl5 Antimony pentachloride sbcl5  
1303 BrF5 bromine pentafluoride brf5  
1304 ClF5 chlorinepentafluoride clf5  
1305 IF5 pentafluoroiodine if5  
1306 CF3CHO trifluoroacetaldehyde cf3cho  
1307 CCl3CHO trichloroacetaldehyde ccl3cho  
1308 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1309 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1310 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1311 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1312 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1313 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1314 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1315 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1316 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1317 CF3COOH trifluoroacetic acid cf3cooh  
1318 C4H3ClO Furan, 2-chloro fur2cl  
1319 C4H3ClO Furan,3-chloro fur3cl  
1320 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1321 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1322 C4H8Cl2 1,4-Dichlorobutane c110565  
1323 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1324 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1325 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1326 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1327 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1328 C5H11Cl Pentane, 1-chloro- pencl1  
1329 C4H8O2 Butanoic acid bua  
1330 C6H5CH2 benzyl radical benzyl  
1331 C7H7+ cycloheptatrienyl cation c7h7+  
1332 C6H5CH3 toluene toluene  
1333 C7H8 cycloheptatriene cht  
1334 C7H8 Norbornadiene norbor  
1335 C7H8 Quadricyclane qucy  
1336 C7H12 Norbornane nor  
1337 C7H14 cycloheptane c7h14  
1338 C7H16 2-methylhexane 2mhex  
1339 C7H16 3-methylhexane hex3m  
1340 C7H16 heptane heptane  
1341 CH(CN)3 tricyanomethane mecn3  
1342 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1343 C6H7N 2-Methylpyridine mp  
1344 C6H5NH2 aniline aniline  
1345 C6H13N 2-Methylpiperidine pip2m  
1346 C6H13N cyclohexanamine cham  
1347 C6H15N triethylamine tea  
1348 N2O5 Dinitrogen pentoxide n2o5  
1349 C4H2O3 Maleic Anhydride malan  
1350 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1351 C5H4O2 furfural furfural  
1352 C6H5O phenoxy radical phenoxy  
1353 C5H5NO 2(1H)-Pyridinone c72762006  
1354 C5H5NO 2(3H)-Pyridinone c9000048  
1355 C5H5NO 2(5H)-Pyridinone c9000037  
1356 C5H5NO 2-Pyridinol c109104  
1357 C5H5NO 3(2H)-Pyridinone c9000004  
1358 C5H5NO 3(4H)-Pyridinone c9000026  
1359 C5H5NO 3(6H)-Pyridinone c9000015  
1360 C5H5NO 3-Pyridinol c109002  
1361 C5H5NO 4(1H)-Pryidinone c9000060  
1362 C5H5NO 4(3H)-Pryidinone c9000059  
1363 C5H5NO 4-Pyridinol c626642  
1364 C6H5OH phenol phenol  
1365 C6H6O 2,4-Cyclohexadienone c24599573  
1366 C6H6O 2,5-Cyclohexadienone c5664335  
1367 C6H5SH Benzenethiol phsh  
1368 HO2CCHNH2CH2OH Serine serine  
1369 C5H8O2 Acetylacetone acac  
1370 C4H8O2S Sulfolane sulfolane  
1371 C7H10 Norbornene norbornene  
1372 CH(C2H3)3 trivinyl methane tvm  
1373 C6H10O cyclohexanone chexo  
1374 C6H12O hexanal c6h12o  
1375 C3H7OC3H7 di-n-propyl ether propr  
1376 F2CCCF2 tetrafluoroallene pfa  
1377 CF3COO- trifluoro acetate anion cf3coo-  
1378 CF3COF trifluoroacetyl fluoride cf3cof  
1379 CF3COCl trifluoroacetyl chloride cf3cocl  
1380 PF6 Hexafluorophosphate neutral pf6  
1381 PF6- Hexafluorophosphate ion pf6-  
1382 SeF6 Selenium hexafluoride sef6  
1383 SF5Cl sulfur chloropentafluoride sf5cl  
1384 CF3CHF2 pentafluoroethane cf3chf2  
1385 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1386 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1387 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1388 CCl3CHCl2 pentachloroethane ccl3chcl2  
1389 C6H5F Fluorobenzene bzf  
1390 C6H5Cl chlorobenzene bzcl  
1391 C6H5Br bromobenzene bzbr  
1392 C8H6 Calicene calicene  
1393 C6H5CCH phenylacetylene phac  
1394 C8H6 benzocyclobutadiene bcbd  
1395 C8H6 Pentalene pentalene  
1396 C6H5CHCH2 Styrene styrene  
1397 C8H8 cubane cubane  
1398 C8H8 cyclooctatetraene cot  
1399 C6H5CH2CH3 Ethylbenzene etbz  
1400 CH3C6H4CH3 meta-xylene mxylene  
1401 CH3C6H4CH3 paraxylene pxylene  
1402 C8H14 Bicyclo[2.2.2]octane bico222  
1403 C8H16 cyclooctane cyclooct  
1404 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1405 C8H18 Octane c8h18  
1406 C6H5CN phenyl cyanide phcn  
1407 C6H12N2 Triethylenediamine ted  
1408 C4O4-- squarate dianion c4o4--  
1409 S4N4 Tetrasulfur tetranitride s4n4  
1410 S8 Octasulfur s8  
1411 C6H4O2 parabenzoquinone pbq  
1412 C4H4N2O2 Uracil uracil  
1413 C6H5CHO benzaldehyde benzal  
1414 C6H5OCH3 Anisole anisole  
1415 C5H9NO2 Proline proline  
1416 C6H12O2 Methyl pivalate c598981  
1417 C6H12O2 Hexanoic acid hexa  
1418 C4F4 tetrafluorcyclobutadiene c4f4  
1419 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1420 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1421 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1422 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1423 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1424 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1425 C2F6 hexafluoroethane c2f6  
1426 C2Cl6 hexachloroethane c2cl6  
1427 IF7 Iodine heptafluoride if7  
1428 C6H4F2 metadifluorobenzene mdfb  
1429 C6H4F2 orthodifluorobenzene odfb  
1430 C6H4F2 1,4-difluorobenzene pdfb  
1431 C6H4Cl2 1,2-dichlorobenzene dcb12  
1432 C6H4Cl2 1,3-dichlorobenzene dcb13  
1433 C6H4Cl2 1,4-dichlorobenzene dcb14  
1434 C6H5NO nitrosobenzene bzno  
1435 C9H8 Indene indene  
1436 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1437 C9H12 n-propyl benzene prbz  
1438 C9H20 Nonane nonane  
1439 C(CN)4 tetracyanomethane c5n4  
1440 C5H4N4 purine purine  
1441 C8H7N Indole indole  
1442 C3H3N3O3 cyanuric acid cyanuric  
1443 C6H5NO2 Nitrobenzene c6h5no2  
1444 C6H5COOH benzoic acid benzo  
1445 CH3COC6H5 acetophenone acph  
1446 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1447 C3F6 hexafluoropropene c3f6  
1448 C6H3F3 Benzene trifluoride 123 bzf3a  
1449 C8H18O 1-Octanol octanol  
1450 C10H8 Azulene azu  
1451 C10H8 naphthalene naph  
1452 C10H10 bullvalene bullv  
1453 C10H16 adamantane adamantane  
1454 C6N4 Tetracyanoethylene tcne  
1455 C6N4- tetracyanoethylene anion tcne-  
1456 C10H22 Decane decane  
1457 C4F6 perfluorobutadiene c4f6  
1458 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1459 C3F8 perfluoropropane c3f8  
1460 Fe(CO)5 Iron pentacarbonyl ipc  
1461 Fe(C5H5)2 ferrocene fecp2  
1462 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1463 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1464 C12H8 Acenaphthylene acenaph  
1465 C12H8 biphenylene biph  
1466 C12H10 biphenyl biphenyl  
1467 C12H10 Heptalene heptalene  
1468 C6H12O6 Inositol inositol  
1469 C6F6 hexafluorobenzene c6f6  
1470 S2F10 disulphur decafluoride s2f10  
1471 C13H10 Fluorene fluorene  
1472 C14H10 Anthracene anth  
1473 C14H10 Phenanthrene phenanthrene  
1474 C14H14 Bibenzyl bibenzyl  
1475 C12H10N2 azobenzene azobenzene  
1476 C6H5COC6H5 benzophenone benzophenone  
1477 C16H10 Pyrene pyrene  
1478 C18H12 Tetracene tetracene  
1479 C19H16 Triphenylmethane tpm  
1480 C24H12 Coronene coronene  
1481 C60 Buckminsterfullerene c60