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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at MP3=FULL /6-31G**

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 HeH+ Helium hydride cation 1ΣC∞v
9 He2+ helium diatomic cation 2ΣuD∞h
10 Li- Lithium atom anion 1SKh
11 LiH+ lithium hydride cation 2ΣC∞v
12 KH Potassium hydride 1ΣC∞v
13 MgH magnesium monohydride 2ΣC∞v
14 ZnH+ Zinc, protonated   
15 BeH2+ Beryllium dihydride cation   
16 MgH2 magnesium dihydride 1ΣgD∞h
17 Al Aluminum atom 2PKh
18 Al- Aluminum atom anion 3PKh
19 Al+ Aluminum atom cation 1SKh
20 BH Boron monohydride 1ΣC∞v
21 BH Boron monohydride 3ΠC∞v
22 ScH+ Scandium monohydride cation 2ΣC∞v
23 GaH+ Gallium monohydride cation 2ΣC∞v
24 BH3+ boron trihydride cation 2B2C2v
25 BH3+ boron trihydride cation  C2v
26 AlH3 aluminum trihydride 1A1'D3h
27 AlH3- aluminum trihydride anion  C3v
28 BH4 borohydride 2B2C2v
29 BH4- borohydride anion 1A1Td
30 C Carbon atom 3P0Kh
31 Si- Silicon atom anion 4SKh
32 SiH+ silicon monohydride cation 1ΣC∞v
33 GeH germylidene 2ΠC∞v
34 GeH+ Germaniun monohyrdide cation 1ΣC∞v
35 CH2- methylene anion 2B1C2v
36 GeH2 germylene 1A1C2v
37 SiH3+ Silyl cation 1A1'D3h
38 CH4 Methane 1A1Td
39 CH4- Methane anion 2A1Td
40 SiH2D2 silane-d2   
41 SiH4 Silane 1A1Td
42 GeH4 Germane 1A1Td
43 SiH5+ Silane, protonated   
44 N Nitrogen atom 4SKh
45 P Phosphorus atom 4SKh
46 V+ Vanadium atom cation 5DKh
47 As Arsenic atomic 4SKh
48 As- Arsenic anion 3PKh
49 As+ Arsenic cation 3PKh
50 PH phosphorus monohydride 3Σ-C∞v
51 NH2 Amino radical 2B1C2v
52 NH2+ Amino cation 3B1C2v
53 NH2+ Amino cation 1A1C2v
54 NH3 Ammonia 1A1C3v
55 NH3- Ammonia anion 2A1C3v
56 PH3 Phosphine 1A1C3v
57 PH3+ Phosphine cation 2A1C3v
58 NH4 Ammonium radical   
59 NH4+ ammonium cation 1A1Td
60 PH4 Phosphoranyl radical   
61 PH4+ phosphonium cation   
62 O Oxygen atom 3SKh
63 S Sulfur atom 3PKh
64 S Sulfur atom   
65 S- Sulfur atom anion 2PKh
66 S+ Sulfur atom cation 4SKh
67 Se Selenium atom 3PKh
68 Se- Selenium atom anion 2PKh
69 Se+ Selenium atom cation 4SKh
70 OH Hydroxyl radical 2ΠC∞v
71 OH- hydroxide anion 1ΣC∞v
72 OH+ hydoxyl cation 3ΣC∞v
73 HS- mercapto anion 1ΣC∞v
74 HS+ sulfur monohydride cation 3ΣC∞v
75 CrH Chromium hydride 6ΣC∞v
76 CrH+ Chromium hydride cation 5ΣC∞v
77 HSe Selenium monohydride 2ΠC∞v
78 HSe- selenium monohydride anion 1ΣC∞v
79 HSe+ selenium monohydride cation 3ΣC∞v
80 H2O Water 1A1C2v
81 H2O- water anion 2A1C2v
82 H2O- water anion 2A'Cs
83 H2O+ water cation 2B1C2v
84 HDO Water-d1 1A1C2v
85 H2S Hydrogen sulfide 1A1C2v
86 H2S+ Hydrogen sulfide cation 2B1C2v
87 H2Se Hydrogen selenide 1A1C2v
88 H2Se+ Hydrogen selenide cation 2B1C2v
89 H3O+ hydronium cation 1A1C3v
90 H3S+ Sulfonium cation 1A1C3v
91 H3Se+ Hydrogen Selenide, protonated 1A1C3v
92 F Fluorine atom 2PKh
93 F- Fluorine atom anion 1SKh
94 F+ Fluorine atom cation 3SKh
95 F+ Fluorine atom cation 1DKh
96 Cl Chlorine atom 2PKh
97 Cl- Chlorine atom anion 1SKh
98 Cl+ Chlorine atom cation 3PKh
99 Cl+ Chlorine atom cation 1DKh
100 Br Bromine atom 2PKh
101 Br- Bromine atom anion 1SKh
102 Br+ Bromine atom cation 3PKh
103 HCl+ hydrogen chloride cation 2ΠC∞v
104 HBr hydrogen bromide 1ΣC∞v
105 HBr- hydrogen bromide anion 2ΣC∞v
106 HBr+ hydrogen bromide cation 2ΠC∞v
107 H2Cl+ dihydrogen monochloride cation 1A1C2v
108 H2Br+ protonated hydrogen bromide 2A1C2v
109 Ne Neon atom 1SKh
110 Ne Neon atom   
111 Kr Krypton atom 1SKh
112 Kr+ Krypton cation 2PKh
113 HeLi+ Helium Lithium cation   
114 ArH+ Argon hydride cation 1ΣC∞v
115 KrH+ Protonated Krypton 1ΣC∞v
116 H2Ar H2 Ar dimer 1ΣC∞v
117 Na2- sodium diatomic anion 2ΣuD∞h
118 Na2+ sodium diatomic cation 2ΣgD∞h
119 NaK+ Sodium Potassium diatomic cation 1
120 BeMg Beryllium Magnesium 1ΣC∞v
121 LiAl Lithium Aluminum   
122 NaAl Sodium aluminum 1ΣC∞v
123 BAl Boron Aluminum 3ΣC∞v
124 BGa Boron Gallium 3ΣC∞v
125 AlGa Aluminum Gallium 3ΣC∞v
126 AlGa Aluminum Gallium 1ΣC∞v
127 HBBH Diborane(2) 3ΣGD∞h
128 B2H4 Diborane(4) D2d 1A1D2d
129 HBHHBH Diborane(4) C2V 1A1C2v
130 B2H6 Diborane 1AgD2h
131 B2H6+ Diborane cation   
132 CaC Calcium monocarbide   
133 BSi Boron silicide 4ΣC∞v
134 BSi Boron silicide 2ΣC∞v
135 SiGe Silicon Germanium   
136 C2H Ethynyl radical 2ΣC∞v
137 C2H- Ethynyl anion 1ΣC∞v
138 C2H2+ acetylene cation 2ΠuD∞h
139 C2H2+ acetylene cation   
140 H2CC- vinylidene anion   
141 HCCH- acetylene anion   
142 HCCH- acetylene anion   
143 CH3Li methyl lithium 1A1C3v
144 CH2BH methyleneborane 1A1C2v
145 C2H3 vinyl 2A'Cs
146 C2H3- vinyl anion 1A'Cs
147 C2H3+ vinyl cation 1A1C2V bridging H
148 C2H3+ vinyl cation 1A1C2V HCCH2
149 C2H4+ Ethylene cation 2B3D2
150 Si2H4 Disilene   
151 CH3BH2 methylborane 1A'Cs
152 C2H5 Ethyl radical 2A'Cs
153 C2H6 Ethane 1A1gD3d
154 Si2H6 disilane 1EuD3d
155 LiP Lithium monophosphide   
156 LiP Lithium monophosphide   
157 MgN Magnesium Nitride   
158 MgN Magnesium Nitride   
159 BP Boron monophosphide 3ΠC∞v
160 BP Boron monophosphide 1ΣC∞v
161 GaP Gallium monophosphide 3ΣC∞v
162 GaP Gallium monophosphide 1ΣC∞v
163 CN Cyano radical 2ΣC∞v
164 SiP Silicon monophosphide 2ΠC∞v
165 N2 Nitrogen diatomic 1ΣgD∞h
166 N2- nitrogen diatomic anion 2ΠgD∞h
167 HCN Hydrogen cyanide 1ΣC∞v
168 HCN+ hydrogen cyanide cation 2ΠC∞v
169 HNC+ hydrogen isocyanide cation   
170 NNH+ Dinitrogen monohydride cation 1ΣC∞v
171 LiNH2 lithium amide   
172 HBNH Boranimine 1ΣC∞v
173 N2H2+ trans-diazene cation 2AGC2h
174 CH2NH Methanimine 1A'Cs
175 CH2NH+ Methanimine cation   
176 CHNH2 aminomethylene   
177 CHNH2+ Aminocarbene cation   
178 BH2NH2 Boranamine   
179 CH2NH2+ methyleneamine cation 1A1C2v
180 N2H4 Hydrazine 1AC2
181 CH3NH2 methyl amine 1A'Cs
182 SiH3NH2 Silane, amino   
183 N2H5+ protonated hydrazine 1A'Cs
184 BH3PH3 borane phosphine   
185 BH3NH3 borane ammonia 1A1C3v
186 CH3NH3 methyl ammonium radical 2A1C3v
187 CH3PH3+ methyl phosphine, protonated 1A1C3v
188 N2H7+ ammonia ammonium dimer   
189 CaO Calcium monoxide 1ΣC∞v
190 CaS Calcium sulfide 1ΣC∞v
191 BO boron monoxide 2ΣC∞v
192 CO Carbon monoxide 1ΣC∞v
193 CO- carbon monoxide anion 2ΠC∞v
194 CO+ carbon monoxide cation 2ΣC∞v
195 GeO Germanium monoxide 1ΣC∞v
196 GeO+ Germanium monoxide cation 2ΣC∞v
197 GeS Germanium monosulfide 1ΣC∞v
198 SiSe Silicon Monoselenide   
199 SiSe+ Silicon Monoselenide cation   
200 NO Nitric oxide 2ΠC∞v
201 NO- nitric oxide anion 3ΣC∞v
202 NO+ nitric oxide cation 1ΣC∞v
203 NS Mononitrogen monosulfide 2ΠC∞v
204 PO Phosphorus monoxide 2ΠC∞v
205 PS phosphorus sulfide 2ΣC∞v
206 NSe Nitrogen monoselenide 2ΠC∞v
207 AsS Arsenic monosulfide 2ΠC∞v
208 PSe Phosphorus monoselenide 2ΠC∞v
209 AsSe Arsenic monoselenide 2ΠC∞v
210 O2- oxygen diatomic anion 2ΠD∞h
211 SO+ sulfur monoxide cation 2ΠC∞v
212 S2 Sulfur diatomic 3ΣgD∞h
213 SeO Selenium monoxide 3ΣC∞v
214 LiOH lithium hydroxide 1ΣC∞v
215 KOH Potassium hydroxide 1ΣC∞v
216 BeOH beryllium monohydroxide 2A'Cs
217 HBO Boron hydride oxide 1ΣC∞v
218 COH Hydroxymethylidyne   
219 COH+ Carbon Monoxide, protonated 1ΣC∞v
220 HCO- formyl anion 1A'Cs
221 HNO+ Nitrosyl hydride cation 2A'Cs
222 NOH Hydroxyimidogen 3A"Cs
223 NOH+ O-protonated nitric oxide 2A'Cs
224 HO2+ Hydroperoxy cation 3A"Cs
225 HSO+ Sulfur Monoxide, S-protonated   
226 SOH Sulfur Hydroxide   
227 SOH+ Sulfur Monoxide, protonated   
228 H2CO Formaldehyde 1A1C2v
229 H2CO- formaldehyde anion 2A'Cs
230 H2CO- formaldehyde anion   
231 H2CO+ formaldehyde cation 2B2C2v
232 H2CS Thioformaldehyde 1A1C2v
233 H2CS- thioformaldehyde anion   
234 H2CS- thioformaldehyde anion   
235 H2CS+ thioformaldehyde cation 2B2C2v
236 H2NO nitroxide 2B1C2v
237 H2NO nitroxide 2A'Cs
238 H2O2 Hydrogen peroxide 1AC2
239 H2O2 Hydrogen peroxide 1AgC2h
240 H2OO water oxide   
241 HOSH hydrogen thioperoxide   
242 H2S2 Disulfane 1AC2
243 H2S2+ hydrogen disulfide cation 2BgC2h
244 CH2OH+ hydroxymethyl cation 1A'Cs
245 CH3O- methoxy anion 1A1C3v
246 CH3O+ Methoxy cation 3A1C3v
247 H2CSH+ Thioformaldehyde, protonated 1A'Cs
248 NH2OH hydroxylamine 1A'Cs
249 NH2OH+ Hydroxylamine cation   
250 NH2SH Thiohydroxylamine   
251 NH2SH Thiohydroxylamine   
252 NH3S sulfidoazane   
253 CH3OH Methyl alcohol 1A'Cs
254 CH3SH Methanethiol 1A'Cs
255 CH3SH+ Methanethiol cation 2A"Cs
256 SiH3OH silanol   
257 NH2OH2+ protonated hydroxylamine   
258 NH3OH+ N-protonated hydroxylamine   
259 H2OH2O water dimer 1A'Cs
260 CH3SH2+ protonated methylsulfide 1A'Cs
261 H5O2+ Dihydroxonium ion 1AC2
262 LiF lithium fluoride 1ΣC∞v
263 LiCl lithium chloride 1ΣC∞v
264 NaF+ sodium fluoride cation 2ΣC∞v
265 LiBr Lithium Bromide 1ΣC∞v
266 LiF+ lithium fluoride cation 2ΠC∞v
267 TiCl Titanium Monochloride 4ΣC∞v
268 ZnF Zinc monofluoride 2ΣC∞v
269 CaBr Calcium monobromide   
270 GaF+ Gallium monofluoride cation 2ΣC∞v
271 AlBr Aluminum monobromide   
272 GaCl+ Gallium monochloride cation 2ΣC∞v
273 CF Fluoromethylidyne 2ΠC∞v
274 SiF silicon monofluoride 2ΠC∞v
275 SiF+ silicon monofluoride cation 1ΣC∞v
276 CBr Carbon monobromide 2ΠC∞v
277 GeF+ Germanium monofluoride cation 1ΣC∞v
278 GeCl+ Germanium monochloride cation   
279 SiBr Silicon monobromide 2ΠC∞v
280 SiBr+ Silicon monobromide cation   
281 NCl nitrogen monochloride 3ΣC∞v
282 AsCl Arsenic monochloride 3ΣC∞v
283 PBr Phosphorus monobromide   
284 FO Oxygen monofluoride 2ΠC∞v
285 SCl sulfur monochloride 2ΠC∞v
286 SeCl Selenium monochloride 2ΠC∞v
287 BrCl Bromine monochloride 1ΣC∞v
288 F2 Fluorine diatomic 1ΣgD∞h
289 F2- flourine diatomic anion 2ΣuD∞h
290 F2+ flourine diatomic cation 2ΠgD∞h
291 ClF Chlorine monofluoride 1Σ+C∞v
292 ClF+ clorine monofluoride cation 2ΠC∞v
293 Cl2+ chlorine diatomic cation 2ΠgD∞h
294 BrF Bromine monofluoride 1ΣC∞v
295 Br2 Bromine diatomic 1ΣgD∞h
296 Br2- bromine diatomic anion 2ΣuD∞h
297 Br2+ bromine diatomic cation 2ΠgD∞h
298 HCF Fluoromethylene 1A'Cs
299 HCF Fluoromethylene 3A"Cs
300 HOCl hypochlorous acid 1A'Cs
301 HOCl+ hypochlorous acid cation   
302 F2H+ Fluorine, protonated 1A'Cs
303 ClFH+ Chlorine fluoride, F-protonated   
304 FClH+ Chlorine fluoride, Cl-protonated   
305 Cl2H+ Chlorine, protonated 1A'Cs
306 CH2Br bromomethyl radical   
307 CH2F fluoromethyl radical 2ACs
308 CH2F+ fluoromethyl cation   
309 CH2Cl+ chloromethyl cation   
310 CH2Cl chloromethyl radical 2A'Cs
311 CH2Cl chloromethyl radical 2B1C2v
312 NH2Cl chloramine 1A'Cs
313 CH3F+ methyl fluoride cation   
314 CH3F Methyl fluoride 1A1C3v
315 CH3Cl Methyl chloride 1A1C3v
316 SiH3Cl chlorosilane 1A1C1
317 CH3Br methyl bromide 1A1C3v
318 SiH3Br bromosilane 1A1C3v
319 CH3ClH+ methyl chloride, protonated   
320 NH4Cl Ammonium chloride   
321 LiNe+ Lithium Neon cation   
322 Ar2 Argon diatomic 1SgD∞h
323 Ar2+ Argon diatomic cation 2ΣuD∞h
324 C3 carbon trimer 1ΣgD∞h
325 C3 carbon trimer 1A1C2v
326 C3H4 cyclopropene 1A1C2v
327 CH3CCH propyne 1A'C3v
328 CH2CHCH3 Propene 1A'Cs
329 C3H7 n-Propyl radical 2A"C1
330 C3H7+ cyclopropane, protonated   
331 CH3CHCH3+ Isopropyl cation 1AC2
332 C3H8 Propane 1A1C2v
333 LiCN lithium cyanide 1ΣC*V LiCN
334 KCN Potassium cyanide 1ΣC∞v
335 KCN Potassium cyanide 1ΣC∞v
336 KCN Potassium cyanide 1A'Cs
337 ZnCN Zinc monocyanide 2ΣC∞v
338 ZnNC Zinc isocyanide 2ΣC∞v
339 N3 azide radical 2ΠgD∞h
340 N3+ azide cation 3ΣgD∞h
341 N3+ azide cation 3ΣC∞v
342 HN3+ Hydrazoic acid cation   
343 HNCNH diiminomethane 1AC2
344 HNNNH+ 1,2-Triazadienium   
345 NH2NN+ hydrazoic acid, protonated   
346 CH3CN Acetonitrile 1A1C3v
347 CH3CN- acetonitrile anion 2EC3v
348 CHNCH2 2H-Azirine   
349 CHNHCH 1H-Azirine   
350 H2CCNH Ethenimine   
351 H2CNCH methyleneaminomethylene   
352 HCCNH2 Ethynamine   
353 HCNCH2+ 2H-Azirine cation   
354 HNCNH2+ diiminomethane, protonated 1A'Cs
355 NCNH3+ Cyanamide, protonated 1A1C3v
356 NH2CNH+ cyanamide, cn protonated   
357 NH3CN+ cyanamide, amine protonated   
358 C2H5NH+ Protonated Aziridine 1A1C2v
359 C2H6N+ aziridine, protonated 1A1C2v
360 CH3CH2NH2 Ethylamine   
361 CH3PHCH3 dimethylphosphine 1A'Cs
362 (CH3)2NH2+ dimethylammonium cation 1A1C2v
363 CH3CH2NH3+ ethylamine, protonated 1A'Cs
364 Li2O dilithium oxide 1ΣgD∞h
365 Na2O disodium monoxide 1ΣgLinear
366 Na2O disodium monoxide 1A1C2v
367 Na2S Sodium sulfide   
368 Na2S Sodium sulfide   
369 NaO2 Sodium superoxide   
370 NCO isocyanato radical 2ΠC∞v
371 N2O Nitrous oxide 1ΣC∞v
372 N2O- Nitrous oxide anion 2A'Cs
373 OCS Carbonyl sulfide 1ΣC∞v
374 CS2 Carbon disulfide 1ΣgD∞h
375 OCSe Carbonyl selenide 1ΣC∞v
376 SCSe Carbon sulfide selenide   
377 NO2 Nitrogen dioxide 2A1C2v
378 NO2+ Nitrogen dioxide cation 1ΣGD∞h
379 NSO sulfinyl amidogen   
380 SNO Nitrogen oxide sulfide   
381 O3 Ozone 1A1Cs
382 S3 Sulfur trimer 1A1C2v
383 S3 Sulfur trimer   
384 SeO2 Selenium dioxide 1A1C2v
385 SeO2+ Selenium dioxide cation 2A1C2v
386 HCCO ketenyl radical 2ΠC∞v
387 HCCO ketenyl radical 2A"Cs
388 HNCS Isothiocyanic acid   
389 HSCN thiocyanic acid 1A'Cs
390 HNNO+ Nitrous oxide, N-protonated 1A'Cs
391 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
392 HOCO Hydrocarboxyl radical 1A'cis
393 HOCO Hydrocarboxyl radical 1A'trans
394 O3H+ protonated ozone 1A'Cs
395 O3H+ protonated ozone   
396 SO2H+ protonated sulfur dioxide 1A'Cs
397 C2H2O Oxirene 1A1C2v
398 CH2CO Ketene 1A1C2v
399 CH2CS Thioketene   
400 Be(OH)2 Beryllium hydroxide   
401 Be(OH)2 Beryllium hydroxide   
402 H2COO Dioxymethyl radical 2A'Cs
403 H2COO+ dioxymethyl cation 2A'Cs
404 HCOOH Formic acid 1A'Cs
405 HCOOH Formic acid   
406 CH2BOH hydroxy(methylene)borane 1A'Cs
407 BH3CO Borane carbonyl 1A1C3v
408 CH3BO Borane, methyloxo- 1A1C3v
409 CH2COH+ ketene, protonated   
410 CH2NOH formaldoxime 1A'Cs
411 CH3NO nitrosomethane 1A'Cs
412 CNOH3 1,2-oxaziridine 1AC1
413 HOCHNH hydroxymethylimine 1A'CS H all up
414 CHSNH2 thioformamide   
415 NHCHSH Methanimidothioic acid   
416 C2H4O Ethylene oxide 1A1C2v
417 C2H4O+ ethylene oxide cation   
418 CH3CHO Acetaldehyde 1A'Cs
419 CH3CHO+ acetaldehyde cation   
420 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
421 C2H4S Thiirane 1A1C2v
422 CH2CHSH Ethenethiol   
423 CH3CHS Thioacetaldehyde 1A'C1
424 NH2CHOH+ Formamide, O-protonated   
425 CH3SSH Hydrogen methyl disulfide   
426 HSCH2SH Methanedithiol   
427 C2H4OH+ ethylene oxide, protonated 1A'Cs
428 CH3CHOH 1-hydroxy-ethyl radical 2AC1
429 CH3CHOH+ acetaldehyde, protonated 1A'Cs
430 NH2CH2OH aminomethanol   
431 CH3CH2SH ethanethiol 1A'Cs
432 CH3SCH3 Dimethyl sulfide 1A1C2v
433 CH3SCH3+ dimethyl sulfide cation   
434 CH3SeCH3 dimethylselenide 1A1C2v
435 CNF iso cyanogen fluoride 1ΣC∞v
436 BrCN Cyanogen bromide 1ΣC∞v
437 CaBr2 Calcium dibromide   
438 BF2 Boron difluoride radical 2A1C2v
439 FNS Thionitrosyl fluoride 1A'Cs
440 FSN Thiazyl fluoride 1A'Cs
441 OPCl Phosphorus oxychloride   
442 CF2 Difluoromethylene 1A1D∞h
443 CFCl chlorofluoromethylene 1A'Cs
444 SiF2+ Silicon difluoride cation 2A1C2v
445 CBr2 dibromomethylene 1A1C2v
446 CBr2 dibromomethylene 3B1C2v
447 OClO- Chlorine dioxide anion 1A'Cs
448 ClSO Sulfur chloride oxide 2A"Cs
449 BrOO Bromine dioxide   
450 OBrO Bromine dioxide radical 2B1C2v
451 PF2 Phosphorus difluoride   
452 FClO chlorosyl fluoride 1A'Cs
453 ClOF Chlorine hypofluorite 1A'Cs
454 SF2 sulfur difluoride 1A1C2v
455 SFCl Sulfur chloride fluoride   
456 HCCBr bromoacetylene 1ΣC∞v
457 CHCl2 dichloromethyl radical 2B1C2v
458 CHCl2 dichloromethyl radical 2A'Cs
459 CHF2+ difluoromethyl cation   
460 CHFCl Chlorofluoromethyl radical   
461 CHFCl+ Chlorofluoromethyl cation   
462 CHCl2+ dichloromethyl cation   
463 CHBr2 dibromomethyl radical   
464 NHF2 difluoramine   
465 NHCl2 dichloroamine   
466 SiH2F2 difluorosilane   
467 CH2Cl2 Methylene chloride 1A1C2v
468 CH2BrF Methane, bromofluoro- 1A'Cs
469 CH2BrCl Methane, bromochloro- 1A'Cs
470 SiH2Cl2 dichlorosilane 1A1C2v
471 CH2FOH fluoromethanol   
472 CH2CH2Cl 2-chloroethyl radical 2A'Cs
473 CHClCH3 1-chloroethyl radical 2AC1
474 C4 Carbon tetramer 3ΣgD∞h
475 C4 Carbon tetramer   
476 C4H2+ diacetlyene cation 2ΠgD∞h
477 C4H4 Tetrahedrane   
478 CH2CHCH2CH3 1-Butene 1AC1
479 CH3CH2CH2CH3 Butane 1AgAnti
480 CH3CH2CH2CH3 Butane 1AGauche
481 C2N2 Cyanogen 1ΣgD∞h
482 As4 Arsenic tetramer 1A1Td
483 HCCCN+ Cyanoacetylene cation 2ΠC∞v
484 H2CNCN cyanamide, methylene   
485 HNCCNH Ethenediimine   
486 CH3N3 methyl azide 1A'Cs
487 NH2CCNH2 Diaminoacetylene 1AC2
488 NH2CH2CN Aminoacetonitrile 1A'Cs
489 CH3NHN2+ methyl azide, protonated 1AC1
490 C4H6 Bicyclo[1.1.0]butane 1A1C2v
491 H2NCHCHNH2 diaminoethylene   
492 CH7N3 triaminomethane   
493 C4H8 cyclobutane 1A1D2d
494 NH2CH2CH2CH3 1-Propanamine 1A'Cs
495 N(SiH3)3 trisilylamine   
496 (CH3)3NH+ protonated trimethyl amine   
497 C3H7NH3+ n-propylamine, protonated 1A'Cs
498 C3O Tricarbon monoxide 1ΣC∞v
499 ONNO NO dimer 1Agtrans C2H
500 ONNO NO dimer 1A1cis C2V
501 S2N2 Disulfur dinitride 1AGD2h
502 CS3-- Carbonotrithioate   
503 NO3- nitrate anion 1A1'D3h
504 SO3 Sulfur trioxide 1A1'D3h
505 S4 Sulfur tetramer   
506 S4 Sulfur tetramer   
507 S4 Sulfur tetramer   
508 NH2NO2 nitramide 1A'Cs
509 C3H2O Propadienal   
510 C3H2O Propadienal   
511 CH3NCO methylisocyante   
512 HOCH2CN cyanomethanol   
513 CH3NO2 Methane, nitro- 1A'Cs
514 H3AlO3 Aluminum hydroxide   
515 NH2CONH2 Urea 1A1C2v
516 NH2COOH2+ Carbamic acid, O-protonated 1AC1
517 NH3COOH+ protonated Carbamic acid 1A'Cs
518 CH2C(OH)NH2 1-amino vinyl alchohol   
519 CH3C(OH)=NH Ethaninidic acid   
520 CH3CHNOH Acetaldoxime 1A'CS cis
521 HCONHCH3 N-methylformamide 1A'CS cis
522 HCONHCH3 N-methylformamide 1A'CS trans
523 CH3CSNH2 Ethanethioamide   
524 CH5N2O+ urea, N-protonated 1A'Cs
525 H2NCOHNH2+ urea, protonated 1A'Cs
526 C3H5OH Cyclopropanol 1AC1
527 C3H6O Acetone enol 1A'Cs
528 CH3CH2CHO Propanal 1A'Cs
529 Li2F2 Lithium fluoride dimer   
530 FNO2 Nitryl fluoride 1A1C2v
531 FONO Nitrosyl hypofluorite 1A'CS cis
532 ClONO chlorine nitrite 1A'CS cis
533 CF2O+ Carbonic difluoride cation   
534 BF3+ boron trifluoride cation   
535 BCl3 Borane, trichloro- 1A1'D3h
536 CF2Cl difluorochloromethyl radical   
537 SiF3 Silicon trifluoride radical 2A1C3v
538 SiF3+ Silicon trifluoride cation 1A1'D3h
539 CFCl2 dichlorofluoromethyl radical   
540 CBr3 tribromomethyl radical   
541 ClO2F Chloryl fluoride 1A'Cs
542 ClOOCl Dichlorine dioxide 1AC2
543 SSCl2 Thiothionyl chloride   
544 NCl3 nitrogen trichloride 1A1C3v
545 AsCl3 Arsenous trichloride 1A1C3v
546 NBr3 Nitrogen Tribromide 1A1C3v
547 ClF3 Chlorine trifluoride 1A1'D3h
548 ClF3 Chlorine trifluoride 1A1C2v
549 HClO3 Chloric Acid 1A'Cs
550 HClO3 Chloric Acid 1AC1
551 SiHF3 trifluorosilane   
552 CHFClBr fluorochlorobromomethane 1AC1
553 CHBrCl2 Methane, bromodichloro- 1A'Cs
554 CHBr2F dibromofluoromethane   
555 NF3H+ protonated nitrogen trifluoride 1A1C3v
556 AsF3H+ Arsenic trifluoride, protonated   
557 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
558 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
559 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
560 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
561 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
562 C2H4F2 1,2-difluoroethane 1AgC2H anti
563 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
564 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
565 CH2CHCH2F Allyl Fluoride   
566 CH3CHCHF trans-1-Fluoro-1-propene   
567 CH2ClCH2OH 2-Chloroethanol 1A'Cs
568 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
569 CH2FCH2CH3 1-Fluoropropane 1A'Cs
570 CH3CHFCH3 2-Fluoropropane 1A'Cs
571 B5H9 pentaborane9   
572 C5H4 pentatetraene   
573 C5H6 Propellane 1A1D3h
574 C5H8 Bicyclo[1.1.1]pentane   
575 C3H4N2 1H-Imidazole 1A'Cs
576 C3H4N2 2H-Imidazole 1A1C2v
577 C3H4N2 4H-Imidazole 1A'Cs
578 C4H5N Pyrrole 1A1C2v
579 C4H6N+ pyrrole, alpha-protonated 1A'Cs
580 C4H6N+ pyrrole, beta-protonated 1A'Cs
581 C4H6N+ pyrrole, protonated 1A1C2v
582 NH(C2H5)2 diethylamine 1A'Cs
583 C3O2 Carbon suboxide 1ΣGD∞h
584 MgCO3 Magnesium Carbonate 1A1C2v
585 BeCO3 Beryllium Carbonate 1A1C2v
586 CHOOCHO diformyl ether   
587 CH3COCCH 3-butyn-2-one 1A'Cs
588 C4H4Se selenophene   
589 CH3OCH2CN Methoxyacetonitrile 1A'Cs
590 CH3OCH2CN Methoxyacetonitrile 1AC1
591 CH3SO2NH2 methanesulfonamide 1A'Cs
592 CH2CHSCHCH2 Divinyl sulfide   
593 HCOOC2H5 Ethyl formate 1A'Cs
594 C2H6O2S Dimethyl sulfone 1A1C2v
595 C4H8S Thiophene, tetrahydro- 1AC1
596 C4H10O Methyl propyl ether 1AC1
597 C4H9SH 1-Butanethiol   
598 CF3Br Bromotrifluoromethane 1A1C3v
599 CBrCl2F bromodichlorofluoromethane   
600 CBr2ClF dibromochlorofluoromethane   
601 CBr2Cl2 dibromodichloromethane 1A1C2v
602 CFBr3 fluorotribromomethane 1A1C3v
603 CBr3Cl tribromochloromethane 1A1C3v
604 SiBr4 Silicon tetrabromide 1A1Td
605 ClOF3 Chlorine trifluoride oxide 1A'Cs
606 SF4 Sulfur tetrafluoride 1A1C2v
607 SeF4 Selenium tetrafluoride   
608 CH2ClCCCl 1,3-dichloropropyne   
609 CHCl2CCH 3,3-dichloropropyne   
610 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
611 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
612 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
613 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
614 C2H2N2O Furazan   
615 NH3BF3 Amminetrifluoroboron 1A1C3v
616 C6H6 Prismane   
617 C6H6 1,2,4,5-Hexatetraene 1AgC2h
618 C6H6 Benzvalene 1A1C2v
619 C6H6 Dewar Benzene   
620 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
621 C6H7+ benzene, protonated 1A1C2v
622 C6H10 3-Hexyne 1A1C2v
623 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
624 MgSO4 Magnesium Sulfate 1A1C2v
625 C3H2O3 vinylene carbonate   
626 C2H2O4 Oxalic Acid 1AgC2h
627 C2H4N2S2 Ethanedithioamide 1AGC2h
628 C5H6O 2H-Pyran   
629 C5H6O Pentadienal   
630 C4H6O2 γ–Butyrolactone 1AC1
631 C3H6O3 1,3,5-Trioxane 1A1C1
632 C3H6S3 1,3,5-Trithiane 1A1C3v
633 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
634 C5H10O 3-Pentanone 1A1C2v
635 C4F2 difluorobutadiyne   
636 ClCOClCO Oxalyl chloride 1AGC2h
637 CF2CCl2 difluorodichloroethylene 1A1C2v
638 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
639 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
640 SiF5- silicon pentafluoride anion   
641 SOF4 Sulfur tetrafluoride oxide 1A1C2v
642 SF5+ pentafluoro sulfur cation 1A1'D3h
643 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
644 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
645 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
646 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
647 C4H3ClO Furan, 2-chloro 1A'Cs
648 C4H3ClO Furan,3-chloro 1A'Cs
649 C4H8O2 Butanoic acid 1AC1
650 C7H7 cycloheptatrienyl radical 2A2C2v
651 C7H7+ cycloheptatrienyl cation 1A1'D7h
652 CH(CN)3 tricyanomethane   
653 C6H12O Oxepane   
654 F2CCCF2 tetrafluoroallene   
655 CF3COO- trifluoro acetate anion 1A'Cs
656 CF3COF trifluoroacetyl fluoride 1A'Cs
657 PF6 Hexafluorophosphate neutral 2B2C2v
658 SF6 Sulfur Hexafluoride 1A1GOh
659 CF3CHF2 pentafluoroethane 1A'Cs
660 S4N4 Tetrasulfur tetranitride   
661 C6H4Cl2 1,4-dichlorobenzene   
662 C6H5NO nitrosobenzene 1A'Cs
663 C3F6 hexafluoropropene   
664 C8H18O 1-Octanol   
665 C10H8 naphthalene 1AgD2h
666 S2F10 disulphur decafluoride   

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 H2 Hydrogen diatomic h2  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 Li Lithium atom li  
12 Li+ Lithium atom cation li+  
13 Na Sodium atom na  
14 Na- Sodium atom anion na-  
15 Na+ Sodium atom cation na+  
16 K Potassium atom k  
17 K- Potassium atom anion k-  
18 K+ Potassium atom cation k+  
19 Cu Copper atom cu  
20 Cu- Copper atom anion cu-  
21 Cu+ Copper atom cation cu+  
22 LiH Lithium Hydride lih  
23 LiH- lithium hydride anion lih-  
24 NaH sodium hydride nah  
25 NaH- sodium hydride anion nah-  
26 NaH+ sodium hydride cation nah+  
27 KH+ Potassium hydrogen cation kh+  
28 CuH Copper monohydride cuh  
29 Be Beryllium atom be  
30 Be- Beryllium atom anion be-  
31 Be+ Beryllium atom cation be+  
32 Mg Magnesium atom mg  
33 Mg- Magnesium atom anion mg-  
34 Mg+ Magnesium atom cation mg+  
35 Ca Calcium atom ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn Zinc atom zn  
39 Zn- Zinc atom anion zn-  
40 Zn+ Zinc atom cation zn+  
41 BeH beryllium monohydride beh  
42 BeH- berylium monohydride anion beh-  
43 BeH+ beryllium monohydride cation beh+  
44 MgH- magnesium monohydride anion mgh-  
45 MgH+ magnesium monohydride cation mgh+  
46 CaH Calcium monohydride cah  
47 CaH+ Calcium monohydride cation cah+  
48 TiH Titanium monohydride tih  
49 ZnH Zinc monohydride znh  
50 BeH2 beryllium dihydride beh2  
51 CaH2 Calcium Hydride cah2  
52 ZnH2 Zinc hydride znh2  
53 B Boron atom b  
54 B- Boron atom anion b-  
55 B+ Boron atom cation b+  
56 Sc Scandium atom sc  
57 Sc+ Scandium cation sc+  
58 Ga Gallium atom ga  
59 Ga- Gallium atom anion ga-  
60 Ga+ Gallium atom cation ga+  
61 BH- boron monohydride anion bh-  
62 BH+ boron monohydride cation bh+  
63 AlH aluminum monohydride alh  
64 AlH- aluminum monohydride anion alh-  
65 AlH+ aluminum monohydride cation alh+  
66 ScH Scandium monohydride sch  
67 GaH Gallium monohydride gah  
68 BH2 boron dihydride bh2  
69 BH2- boron dihydride anion bh2-  
70 BH2+ Boron dihydride cation bh2+  
71 AlH2 aluminum dihydride alh2  
72 AlH2- aluminum dihydride anion alh2-  
73 AlH2+ aluminum dihydride cation alh2+  
74 BH3 boron trihydride bh3  
75 BH3- boron trihydride anion bh3-  
76 AlH3+ aluminum trihydride cation alh3+  
77 ScH3 Scandium trihydride sch3  
78 GaH3 Gallium trihydride gah3  
79 AlH4- Aluminum tetrahydride anion alh4-  
80 C- Carbon atom anion c-  
81 C+ Carbon atom cation c+  
82 Si Silicon atom si  
83 Si+ Silicon atom cation si+  
84 Ti Titanium atom ti  
85 Ti- Titanium atom anion ti-  
86 Ti+ Titanium atom cation ti+  
87 Ge Germanium atom ge  
88 Ge- Germanium anion ge-  
89 Ge+ Germanium cation ge+  
90 Sn Tin atom sn  
91 Sn+ Tin cation sn+  
92 CH Methylidyne ch  
93 CH- methylidyne anion ch-  
94 CH+ Methylidyne cation ch+  
95 SiH Silylidyne sih  
96 SiH- silicon monohydride anion sih-  
97 CH2 Methylene ch2  
98 CH2+ methylene cation ch2+  
99 SiH2 silicon dihydride sih2  
100 SiH2- silicon dihydride anion sih2-  
101 SiH2+ silicon dihydride cation sih2+  
102 GeH2- germylene anion geh2-  
103 CH3 Methyl radical ch3  
104 CH3- methyl anion ch3-  
105 CH3+ methyl cation ch3+  
106 SiH3 Silyl radical sih3  
107 SiH3- Silyl anion sih3-  
108 GeH3 Germyl radical geh3  
109 GeH3+ germyl cation geh3+  
110 CD4 methane-d4 cd4  
111 CH2D2 methane-d2 ch2d2  
112 CH3D methane-d ch3d  
113 CH4+ Methane cation ch4+  
114 CHD3 methane-d3 chd3  
115 SiH4+ Silane cation sih4+  
116 SnH4 Stannane snh4  
117 N- Nitrogen atom anion n-  
118 N+ Nitrogen atom cation n+  
119 P- Phosphorus atom anion p-  
120 P+ Phosphorus atom cation p+  
121 V Vanadium atom v  
122 Sb Antimony atom sb  
123 NH Imidogen nh  
124 NH- Imidogen anion nh-  
125 NH+ imidogen cation nh+  
126 PH- phosphorus monohydride anion ph-  
127 PH+ phosphorus monohydride cation ph+  
128 AsH Arsenic monohydride ash  
129 AsH+ Arsenic monohydride cation ash+  
130 SbH Antimony monohydride sbh  
131 ND2 Amidogen-d2 nd2  
132 NH2- amino anion nh2-  
133 PH2 Phosphino radical ph2  
134 PH2- Phosphino anion ph2-  
135 PH2+ Phosphino cation ph2+  
136 AsH2 Arsenic dihydride ash2  
137 AsH2+ Arsenic dihydride cation ash2+  
138 ND3 Ammonia-d3 nd3  
139 NH3+ ammonia cation nh3+  
140 AsH3 Arsine ash3  
141 AsH3+ Arsine cation ash3+  
142 SbH3 Stibine sbh3  
143 AsH4+ Arsonium ash4+  
144 O- Oxygen atom anion o-  
145 O+ Oxygen atom cation o+  
146 Cr Chromium atom cr  
147 Te Tellurium atom te  
148 Te+ Tellurium atom cation te+  
149 DO Hydroxyl-d od  
150 DS Mercapto-d ds  
151 HS Mercapto radical hs  
152 TeH Telluryl radical teh  
153 D2O Deuterium oxide d2o  
154 D2S Hydrogen sulfide-d2 d2s  
155 H2S- Hydrogen sulfide anion h2s-  
156 H2Te Hydrogen Telluride h2te  
157 Mn Manganese atom mn  
158 I Iodine atom iodine  
159 I- Iodine atom anion iodine-  
160 I+ Iodine atom cation iodine+  
161 DF Hydrofluoric acid-d df  
162 HF Hydrogen fluoride hf  
163 HF- hydrogen fluoride anion hf-  
164 HF+ hydrogen fluoride cation hf+  
165 DCl Hydrochloric acid-d dcl  
166 HCl Hydrogen chloride hcl  
167 HCl- hydrogen chloride anion hcl-  
168 HI Hydrogen iodide hi  
169 HI+ Hydrogen iodide cation hi+  
170 H2F+ dihydrogen fluoride cation h2f+  
171 H2I+ Iodonium h2i+  
172 Ne- Neon atom anion ne-  
173 Ne+ Neon atom cation ne+  
174 Ar Argon atom ar  
175 Ar- Argon atom anion ar-  
176 Ar+ Argon atom cation ar+  
177 Fe Iron atom fe  
178 Xe Xenon atom xe  
179 NeH neon hydrogen neh  
180 NeH+ neon hydrogen cation neh+  
181 XeH+ Xenon, protonated xeh+  
182 Co Cobalt atom cobalt  
183 Ni Nickel atom ni  
184 Li2 Lithium diatomic li2  
185 Li2- lithium diatomic anion li2-  
186 Li2+ lithium diatomic cation li2+  
187 NaLi lithium sodium lina  
188 NaLi- lithium sodium anion lina-  
189 NaLi+ lithium sodium cation lina+  
190 LiK Lithium Potassium lik  
191 Na2 Sodium diatomic na2  
192 NaK Sodium Potassium nak  
193 K2 Potassium diatomic k2  
194 Cu2 Copper diatomic cu2  
195 LiBe Lithium Beryllium libe  
196 LiMg Lithium magnesium limg  
197 NaBe Sodium Beryllium nabe  
198 NaMg Sodium Magnesium namg  
199 Be2 Beryllium diatomic be2  
200 Be2- Beryllium diatomic anion be2-  
201 Be2+ Beryllium diatomic cation be2+  
202 Mg2 Magnesium diatomic mg2  
203 Mg2- magnesium diatomic anion mg2-  
204 Mg2+ magnesium diatomic cation mg2+  
205 Ca2 Calcium diatomic ca2  
206 LiB Lithium boride lib  
207 BeB Beryllium monoboride beb  
208 B2 Boron diatomic b2  
209 B2- Boron diatomic anion b2-  
210 B2+ Boron diatomic cation b2+  
211 Al2 Aluminum diatomic al2  
212 Al2- aluminum diatomic anion al2-  
213 Al2+ aluminum diatomic cation al2+  
214 Ga2 Gallium diatomic ga2  
215 LiBH4 Lithium borohydride libh4  
216 Al2H6 dialane al2h6  
217 Ga2H6 digallane ga2h6  
218 LiC Lithium Carbide lic  
219 BeC Beryllium Carbide bec  
220 BC boron monocarbide bc  
221 BC- boron monocarbide anion bc-  
222 BC+ boron monocarbide cation bc+  
223 AlC Aluminum carbide alc  
224 C2 Carbon diatomic c2  
225 C2- carbon diatomic anion c2-  
226 C2+ carbon diatomic cation c2+  
227 SiC silicon monocarbide sic  
228 SiC- silicon monocarbide anion sic-  
229 SiC+ silicon monocarbide cation sic+  
230 Si2 Silicon diatomic si2  
231 Si2- silcon diatomic anion si2-  
232 Si2+ silcon diatomic cation si2+  
233 GeC Germanium monocarbide gec  
234 Ge2 Germanium diatomic ge2  
235 C2H+ Ethynyl cation c2h+  
236 ZnCH2 Zinc methylene znch2  
237 C2H2 Acetylene c2h2  
238 CCH2 vinylidene vinylidene  
239 Si2H2 disilyne si2h2  
240 CuCH3 monomethyl copper cuch3  
241 ZnCH3 Zinc monomethyl znch3  
242 C2H4 Ethylene c2h4  
243 C2H4- Ethylene anion c2h4-  
244 CH3CH methylmethylene ch3ch  
245 CH2SiH2 silaethylene ch2sih2  
246 C2H5- Ethyl anion c2h5-  
247 C2H5+ Ethyl cation c2h5+  
248 C2H6+ ethane cation c2h6+  
249 CH3SiH3 methyl silane ch3sih3  
250 GeH3CH3 methyl germane geh3ch3  
251 C2H7+ Ethane, protonated c2h7+  
252 LiN Lithium Nitride lin  
253 LiN+ Lithium Nitride cation lin+  
254 BeN Beryllium mononitride ben  
255 BeN- Beryllium mononitride anion ben-  
256 BeN+ Beryllium mononitride cation ben+  
257 BN- boron nitride anion bn-  
258 AlN- aluminum mononitride anion aln-  
259 AlN+ aluminum mononitride cation aln+  
260 AlP Aluminum monophosphide alp  
261 GaN Gallium mononitride gan  
262 GaAs Gallium arsenide gaas  
263 BN boron nitride bn  
264 BN+ boron nitride cation bn+  
265 AlN Aluminum nitride aln  
266 CN- cyanide anion cn-  
267 CN+ Cyano cation cn+  
268 CP Carbon monophosphide cp  
269 CP- carbon monophosphide anion cp-  
270 CP+ carbon monophosphide cation cp+  
271 SiN Silicon nitride sin  
272 SiN- silicon mononitride anion sin-  
273 SiN+ silicon mononitride cation sin+  
274 SiP- Silicon monophosphide anion sip-  
275 SiP+ Silicon monophosphide cation sip+  
276 TiN Titanium mononitride tin  
277 N2+ diatomic nitrogen cation n2+  
278 PN Phosphorus mononitride pn  
279 PN- phosphorus nitride anion pn-  
280 PN+ phosphorus nitride cation pn+  
281 P2 Phosphorus diatomic p2  
282 P2- phosphorus diatomic anion p2-  
283 P2+ phosphorus diatomic cation p2+  
284 AsN Arsenic mononitride asn  
285 AsP Arsenic monophosphide asp  
286 SbN Antimony nitride sbn  
287 As2 Arsenic diatomic as2  
288 HNB hydrogen nitrogen boron hnb  
289 HNC hydrogen isocyanide hnc  
290 HCN- Hydrogen cyanide anion hcn-  
291 HCP Phosphaethyne hcp  
292 HCP+ Phosphaethyne cation hcp+  
293 NNH Dinitrogen monohydride nnh  
294 HPO Hydrogen phosphorus oxide hpo  
295 HPO+ Hydrogen phosphorus oxide cation hpo+  
296 CNH2 Aminomethylidyne radical cnh2  
297 CNH2+ N-protonated hydrogen isocyanide cnh2+  
298 H2CN Dihydrogen cyanide radical h2cn  
299 H2CN+ hydrocyanonium cation h2cn+  
300 HCNH methyleneazane hcnh  
301 HCNH+ N-protonated HCN hcnh+  
302 H2NN Isodiazene h2nn  
303 N2H2 (E)-diazene n2h2  
304 N2H2 (Z)-Diazene n2h2z  
305 CH2PH Phosphaethene ch3p  
306 N2H4+ hydrazine cation n2h4+  
307 P2H4 Diphosphine p2h4  
308 CH3NH2+ methyl amine cation ch3nh2+  
309 CH3PH2 Methyl phosphine ch3ph2  
310 CH3NH3+ protonated methylamine ch3nh3+  
311 NH3NH3 Ammonia Dimer nh3nh3  
312 LiO lithium oxide lio  
313 LiO- lithium oxide anion lio-  
314 LiO+ lithium oxide cation lio+  
315 LiS Lithium monosulfide lis  
316 LiS+ Lithium sulfide cation lis+  
317 NaO sodium monoxide nao  
318 NaO- sodium oxide anion nao-  
319 NaO+ sodium oxide cation nao+  
320 KO Potassium monoxide ko  
321 KO+ Potassium monoxide cation ko+  
322 NaS Sodium sulfide nas  
323 CuO Copper Monoxide cuo  
324 LiSe Lithium monoselenide lise  
325 BeO beryllium oxide beo  
326 BeO- Beryllium monoxide anion beo-  
327 BeO+ Beryllium monoxide cation beo+  
328 BeS beryllium sulfide bes  
329 MgO magnesium oxide mgo  
330 MgO- magnesium oxide anion mgo-  
331 MgO+ magnesium oxide cation mgo+  
332 MgS magnesium sulfide mgs  
333 MgS- magnesium sulfide anion mgs-  
334 MgS+ magnesium sulfide cation mgs+  
335 ZnO zinc monoxide zno  
336 ZnS Zinc sulfide zns  
337 BeS- Beryllium monosulfide anion bes-  
338 BeS+ Beryllium monosulfide cation bes+  
339 BO- boron monoxide anion bo-  
340 AlO Aluminum monoxide alo  
341 AlO- Aluminum monoxide anion alo-  
342 AlO+ aluminum monoxide cation alo+  
343 BS boron sulfide bs  
344 BS- boron monosulfide anion bs-  
345 BS+ boron monosulfide cation bs+  
346 AlS Aluminum sulfide als  
347 AlS- aluminum monosulfide anion als-  
348 AlS+ aluminum monosulfide cation als+  
349 ScO Scandium monoxide sco  
350 GaO Gallium monoxide gao  
351 GaS Gallium monosulfide gas  
352 BO+ boron monoxide cation bo+  
353 CS carbon monosulfide cs  
354 CS- carbon monosulfide anion cs-  
355 CS+ carbon monosulfide cation cs+  
356 SiO Silicon monoxide sio  
357 SiO- silicon monoxide anion sio-  
358 SiO+ silicon monoxide cation sio+  
359 SiS silicon monosulfide sis  
360 SiS- silicon monosulfide anion sis-  
361 SiS+ silicon monosulfide cation sis+  
362 TiO Titanium monoxide tio  
363 CSe Carbon monoselenide cse  
364 CSe- Carbon monoselenide anion cse-  
365 CSe+ Carbon monoselenide cation cse+  
366 GeSe Germanium monoselenide gese  
367 NS- nitrogen sulfide anion ns-  
368 NS+ nitrogen sulfide cation ns+  
369 PO- phosphorus monoxide anion po-  
370 PO+ phosphorus monoxide cation po+  
371 PS- phosphorus monosulfide anion ps-  
372 PS+ phosphorus monosulfide cation ps+  
373 VO Vanadium monoxide vo  
374 AsO Arsenic monoxide aso  
375 O2 Oxygen diatomic o2  
376 O2-- dioxygen dianion o2--  
377 O2+ diatomic oxygen cation o2+  
378 SO Sulfur monoxide so  
379 SO- sulfur monoxide anion so-  
380 S2- sulfur diatomic anion s2-  
381 S2+ sulfur diatomic cation s2+  
382 SeO- selenium monoxide anion seo-  
383 SeO+ selenium monoxide cation seo+  
384 SeS Selenium monosulfide ses  
385 SeS- selenium monosulfide anion ses-  
386 SeS+ selenium monosulfide cation ses+  
387 TeO Tellurium monoxide teo  
388 Se2 Selenium diatomic se2  
389 Se2- selenium diatomic anion se2-  
390 Se2+ selenium diatomic cation se2+  
391 Te2 Tellurium diatomic te2  
392 NaOH sodium hydroxide naoh  
393 MgOH magnesium hydroxide mgoh  
394 CaOH Calcium monohydroxide caoh  
395 HBS hydrogen boron sulfide hbs  
396 HCO Formyl radical hco  
397 HCO+ Formyl cation hco+  
398 HCS Thioformyl radical hcs  
399 HCS- Thioformyl anion hcs-  
400 HCS+ Thioformyl cation hcs+  
401 HNO Nitrosyl hydride hno  
402 HNO- Nitrosyl hydride anion hno-  
403 HNS Sulfur imide hns  
404 HNS- Sulfur imide anion hns-  
405 HO2 Hydroperoxy radical ho2  
406 HO2- Hydroperoxy anion ho2-  
407 HS2 Thiosulfeno radical hs2  
408 HOCH hydroxycarbene hoch  
409 H2CSe Selenoformaldehyde h2cse  
410 H2O2+ Hydrogen peroxide cation h2o2+  
411 H2Se2 hydrogen diselenide h2se2  
412 CH2OH Hydroxymethyl radical ch2oh  
413 CH3O Methoxy radical ch3o  
414 CH3S thiomethoxy ch3s  
415 NH3O Ammonia Oxide nh3o  
416 H2POH Phosphinous acid h2poh  
417 H3PO Phosphine oxide h3po  
418 H3O2+ hydrogen peroxide, protonated h3o2+  
419 CH3OH- Methyl alcohol anion ch3oh-  
420 CH3OH+ Methyl alcohol cation ch3oh+  
421 CH3SeH Methane selenol ch3seh  
422 CH3OH2+ Methanol, protonated ch3oh2+  
423 H2ONH3 Water Ammonia Dimer h2onh3  
424 LiCl- lithium chloride anion licl-  
425 LiCl+ lithium chloride cation licl+  
426 NaF sodium fluoride naf  
427 NaF- sodium fluoride anion naf-  
428 KF Potassium Fluoride kf  
429 NaCl Sodium Chloride nacl  
430 NaCl- sodium chloride anion nacl-  
431 NaCl+ sodium chloride cation nacl+  
432 KCl Potassium Chloride kcl  
433 CuF Copper monofluoride cuf  
434 LiBr- lithium bromide anion libr-  
435 LiBr+ lithium bromide cation libr+  
436 CuCl Copper monochloride cucl  
437 NaBr Sodium Bromide nabr  
438 NaBr- sodium bromide anion nabr-  
439 NaBr+ sodium bromide cation nabr+  
440 KBr Potassium Bromide kbr  
441 LiI Lithium Iodide lii  
442 NaI Sodium Iodide nai  
443 KI Potassium Iodide ki  
444 LiF- lithium fluoride anion lif-  
445 BeF Beryllium monofluoride bef  
446 BeF- Beryllium monofluoride anion bef-  
447 BeF+ Beryllium monofluoride cation bef+  
448 BeCl beryllium monochloride becl  
449 MgF Magnesium monofluoride mgf  
450 MgF- magnesium fluoride anion mgf-  
451 MgF+ magnesium fluoride cation mgf+  
452 CaF Calcium monofluoride caf  
453 MgCl magnesium monochloride mgcl  
454 MgCl- magnesium monochloride anion mgcl-  
455 MgCl+ magnesium monochloride cation mgcl+  
456 CaCl calcium monochloride cacl  
457 ZnF- Zinc monofluoride anion znf-  
458 ZnF+ Zinc monofluoride cation znf+  
459 ZnCl Zinc monochloride zncl  
460 BeCl- beryllium monochloride anion becl-  
461 BeCl+ beryllium monochloride cation becl+  
462 BF Boron monofluoride bf  
463 BF- Boron monofluoride anion bf-  
464 BF+ Boron monofluoride cation bf+  
465 AlF Aluminum monofluoride alf  
466 AlF- Aluminum monofluoride anion alf-  
467 AlF+ Aluminum monofluoride cation alf+  
468 BCl boron monochloride bcl  
469 BCl- boron monochloride anion bcl-  
470 BCl+ boron monochloride cation bcl+  
471 AlCl Aluminum monochloride alcl  
472 AlCl- aluminum monochloride anion alcl-  
473 AlCl+ aluminum monochloride cation alcl+  
474 ScF Scandium monofluoride scf  
475 BBr Boron monobromide bbr  
476 GaF Gallium monofluoride gaf  
477 GaCl Gallium monochloride gacl  
478 AlI Aluminum monoiodide ali  
479 GaBr Gallium monobromide gabr  
480 CF- carbon monofluoride anion cf-  
481 CF+ carbon monofluoride cation cf+  
482 CCl carbon monochloride ccl  
483 CCl- carbon monochloride anion ccl-  
484 CCl+ carbon monochloride cation ccl+  
485 SiF- silicon monofluoride anion sif-  
486 SiCl Clorosilylidyne sicl  
487 SiCl- silicon monochloride anion sicl-  
488 SiCl+ silicon monochloride cation sicl+  
489 GeF Germanium monofluoride gef  
490 GeCl Germanium monochloride gecl  
491 NF nitrogen fluoride nf  
492 NF- nitrogen monofluorine anion nf-  
493 NF+ nitrogen monofluoirde cation nf+  
494 NCl- nitrogen monochloride anion ncl-  
495 NCl+ nitrogen monochloride cation ncl+  
496 PF phosphorus monofluoride pf  
497 PF- phosphorus monofluoride anion pf-  
498 PF+ phosphorus monofluoride cation pf+  
499 PCl phosphorus chloride pcl  
500 PCl- phosphorus monochloride anion pcl-  
501 PCl+ phosphorus monochloride cation pcl+  
502 AsF Arsenic monofluoride asf  
503 NBr nitrogen monobromide nbr  
504 SbF Antimony monofluoride sbf  
505 SbCl Antimony monochloride sbcl  
506 FO- flourine oxide anion fo-  
507 FO+ fluorine monoxide cation fo+  
508 ClO Monochlorine monoxide clo  
509 ClO- chlorine monoxide anion clo-  
510 ClO+ chlorine monoxide cation clo+  
511 SF Monosulfur monofluoride sf  
512 SF- sulfur monofluoride anion sf-  
513 SF+ sulfur monofluoride cation sf+  
514 SCl- sulfur monochloride anion scl-  
515 SCl+ sulfur monochloride cation scl+  
516 BrO Bromine monoxide bro  
517 BrO- Bromine monoxide anion bro-  
518 BrO+ Bromine monoxide cation bro+  
519 SeF Selenium monofluoride sef  
520 SBr Sulfur monobromide radical sbr  
521 SBr+ Sulfur monobromide cation sbr+  
522 IO Iodine monoxide io  
523 SeBr Selenium monobromide sebr  
524 ClF- clorine monofluoride anion clf-  
525 Cl2 Chlorine diatomic cl2  
526 Cl2- chlorine diatomic anion cl2-  
527 BrF- bromine fluoride anion brf-  
528 BrF+ bromine fluoride cation brf+  
529 BrCl- bromine chloride anion brcl-  
530 BrCl+ bromine chloride cation brcl+  
531 IF Iodine monofluoride if  
532 ICl Iodine monochloride icl  
533 IBr Iodine monobromide ibr  
534 I2 Iodine diatomic i2  
535 I2+ Iodine diatomic cation i2+  
536 HCCl Chloromethylene hccl  
537 HSiF fluorosilylene hsif  
538 HSiCl Chlorosilylene hsicl  
539 HSiBr monobromosilylene hsibr  
540 CHBr bromomethylene chbr  
541 HOF Hypofluorous acid hfo  
542 DOCl Hypochlorous acid-d docl  
543 HOBr Hypobromous acid hobr  
544 HOBr+ Hypobromous acid cation hobr+  
545 HOI Hypoiodous acid hoi  
546 FHF Hydrogen difluoride fhf  
547 FHF- Hydrogen difluoride anion fhf-  
548 NH2F monofluoroamine nh2f  
549 H2F2 Hydrogen fluoride dimer h2f2  
550 CD3F methylfluoride-d3 cd3f  
551 CD3Cl methyl chloride d3 cd3cl  
552 CH3Cl+ Methyl chloride cation ch3cl+  
553 SiH3F monofluorosilane sih3f  
554 GeH3F monofluorogermane geh3f  
555 GeH3Cl monochlorogermane geh3cl  
556 CH3I methyl iodide ch3i  
557 SiH3I Silyl Iodide sih3i  
558 NH3Cl+ protonated monochloroammonia nh3cl+  
559 Ne2 Neon diatomic ne2  
560 Ne2+ Neon diatomic cation ne2+  
561 Li3 Lithium trimer li3  
562 Li3+ Lithium trimer cation li3+  
563 C3+ carbon trimer cation c3+  
564 SiC2 Silicon dicarbide sic2  
565 C3H3 cyclopropenyl radical cpr  
566 C3H3 Propargyl radical propargyl  
567 C3H3- Propargyl anion c3h3-  
568 C3H3+ cyclopropenyl cation cpr+  
569 C3H3+ Propargyl cation c3h3+  
570 CH2CCH2 allene allene  
571 C3H5 Allyl radical allyl  
572 C3H5+ Allyl cation allyl+  
573 CH3CHCH 1-propenyl radical ch3chch  
574 Zn(CH3)2 dimethyl zinc dmz  
575 C3H6 Cyclopropane c3h6  
576 CH3CHCH3 Isopropyl radical isopropyl  
577 SiH2(CH3)2 dimethylsilane dms  
578 Si3H8 trisilane si3h8  
579 NaCN Sodium Cyanide nacn  
580 CuCN Copper cyanide cucn  
581 AlCN Aluminum monocyanide alcn  
582 AlNC Aluminum isocyanide alnc  
583 CN2 3H-Diazirin-3-ylidene cn2  
584 CNN Diazocarbene cnn  
585 NCN Cyanoimidogen ncn  
586 N3- azide anion n3-  
587 HCCN cyanomethylene hccn  
588 HCNN diazomethyl radical hcnn  
589 HN3 hydrogen azide hn3  
590 CH2N2 diazirine ch2n2  
591 CH2NN diazomethane ch2nn  
592 NH2CN cyanamide cyanamide  
593 CH3CN+ Acetonitrile cation ch3cn+  
594 CH3NC methyl isocyanide ch3nc  
595 CH2CHNH vinylazine ch2chnh  
596 CH3CHN methylmethaniminyl radical ch3chn  
597 NHCHNH2 aminomethanimine cn2h4  
598 C2H5N Aziridine c2h5n  
599 CH2CHNH2 aminoethene aminoethene  
600 CH2NCH3 N-methylmethanimine nmm  
601 CH3CHNH ethanimine ethanimine  
602 NH2BHNH2 diaminoborane nh2bhnh2  
603 NH2CH2NH2 diaminomethane nh2ch2nh2  
604 CH3NHCH3 Dimethylamine ch3nhch3  
605 NH2CH2NH3+ diaminoethane, protonated pdam  
606 Li2O+ dilithium oxide cation li2o+  
607 Li2S dilithium sulfide li2s  
608 LiO2 Lithium dioxide lio2  
609 CCO Dicarbon monoxide cco  
610 CNO- fulminate cno-  
611 NCO- cyanate nco-  
612 SCN thiocyanato radical scn  
613 SCN- thiocyanide anion scn-  
614 BO2 Boron dioxide bo2  
615 BO2- Boron dioxide anion bo2-  
616 BO2+ Boron dioxide cation bo2+  
617 N2O+ Nitrous oxide cation n2o+  
618 NNS Nitrogen sulfide nns  
619 PPO Phosphorus oxide phosphide ppo  
620 CO2 Carbon dioxide co2  
621 CO2- Carbon dioxide anion co2-  
622 CO2+ Carbon dioxide cation co2+  
623 OCS+ Carbonyl sulfide cation cos+  
624 SiO2 silicon dioxide sio2  
625 CS2- Carbon disulfide anion cs2-  
626 CS2+ Carbon disulfide cation cs2+  
627 TiO2 Titanium dioxide tio2  
628 SiS2 Silicon disulfide sis2  
629 GeO2 Germanium dioxide geo2  
630 GeS2 Germanium disulfide ges2  
631 CSe2 Carbon diselenide cse2  
632 SCTe Carbon sulfide Telluride scte  
633 NO2- Nitrogen dioxide anion no2-  
634 PO2 Phosphorus dioxide po2  
635 PO2- Phosphorus dioxide anion po2-  
636 PO2+ Phosphorus dioxide cation po2+  
637 AsO2 Aresenic dioxide aso2  
638 O3- Ozone anion o3-  
639 O3+ Ozone cation o3+  
640 SO2 Sulfur dioxide so2  
641 SO2- Sulfur dioxide anion so2-  
642 SO2+ Sulfur dioxide cation so2+  
643 SSO Disulfur monoxide sso  
644 S3- Sulfur trimer anion s3-  
645 S3+ Sulfur trimer cation s3+  
646 TeO2 Tellurium Dioxide teo2  
647 CS2H+ Carbon disulfide, protonated cs2h+  
648 HCNO fulminic acid hcno  
649 HNCO Isocyanic acid hnco  
650 HOCN cyanic acid hocn  
651 HCO2- formate anion hco2-  
652 HNNO nitrosoazane hnno  
653 HCOO formate neutral radical hcoo  
654 HOCO+ Hydrocarboxyl cation hoco+  
655 HNO2 Nitrous acid hno2  
656 HNO2+ nitrous acid cation hno2+  
657 CH2CO+ Ketene cation ch2co+  
658 HCCOH ethynol hccoh  
659 Mg(OH)2 Magnesium dihydroxide h2mgo2  
660 NH2NO Nitrosamide nh2no  
661 CH2O2 Dioxirane diox  
662 H2O3 Hydrogen trioxide h2o3  
663 HSSSH trisulfane hsssh  
664 NaOCH3 Sodium methoxide naoch3  
665 CH2CHO Vinyloxy radical ch2cho  
666 CH3CO Acetyl radical ch3co  
667 CH3CO- Acetyl anion ch3co-  
668 CH3CO+ acetyl cation ch3co+  
669 CHONH2 formamide formamide  
670 CH2OOH CH2OOH radical ch2ooh  
671 CH3OO methylperoxy radical ch3oo  
672 CH3OO- methylperoxy anion ch3oo-  
673 CH3OO+ methylperoxy cation ch3oo+  
674 CH2CHOH ethenol ch2choh  
675 H2CONH2+ protonated formamide h2conh2+  
676 NH3CHO+ Formamide, N-Protonated nh3cho+  
677 CH2(OH)2 methanediol ch2o2h2  
678 CH3OOH Methyl peroxide ch3ooh  
679 H2OH2CO water formaldehyde dimer h2oh2co  
680 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
681 CH3CH2O Ethoxy radical ethoxy  
682 CH3OCH2 methoxymethyl radical ch3och2  
683 CH3CH2OH Ethanol etoh  
684 CH3OCH3 Dimethyl ether meome  
685 CH3OHH2O methanol water dimer ch3ohh2o  
686 H2OCH3OH water methanol dimer h2och3oh  
687 CuF2 Copper difluoride cuf2  
688 ZnF2 Zinc difluoride znf2  
689 FCN Cyanogen fluoride fcn  
690 ClCN chlorocyanogen clcn  
691 ICN Cyanogen iodide icn  
692 FBO Boron monofluoride monoxide fbo  
693 BeF2 Beryllium fluoride bef2  
694 MgF2 Magnesium fluoride mgf2  
695 BeCl2 Beryllium chloride becl2  
696 MgCl2 Magnesium dichloride mgcl2  
697 CaCl2 Calcium Chloride cacl2  
698 ZnCl2 Zinc dichloride zncl2  
699 BeBr2 Beryllium bromide bebr2  
700 CaF2 Calcium difluoride caf2  
701 FCO Carbonyl fluoride fco  
702 FCO+ Carbonyl fluoride cation fco+  
703 ClCO carbonyl monochloride clco  
704 FNO Nitrosyl fluoride fno  
705 ClNO Nitrosyl chloride clno  
706 BrNO Nitrosyl bromide brno  
707 INO Nitrosyl iodide ino  
708 CF2- Difluoromethylene anion cf2-  
709 CF2+ Difluoromethylene cation cf2+  
710 SiF2 Silicon difluoride sif2  
711 CCl2 dichloromethylene ccl2  
712 CCl2- dichloromethylene anion ccl2-  
713 CCl2+ dichloromethylene cation ccl2+  
714 SiCl2 Dichlorosilylene sicl2  
715 GeF2 Germanium difluoride gef2  
716 GeCl2 Germanium dichloride gecl2  
717 FOO Dioxygen monofluoride radical foo  
718 FOO+ Fluorine dioxide cation foo+  
719 ClOO chloroperoxy radical cloo  
720 ClOO+ chloroperoxy cation cloo+  
721 OClO Chlorine dioxide oclo  
722 OClO+ Chlorine dioxide cation oclo+  
723 ClS2 Sulfur chloride cls2  
724 NF2 Difluoroamino radical nf2  
725 NF2+ Difluoroamino cation nf2+  
726 PF2+ Phosphorus difluoride cation pf2+  
727 F2O Difluorine monoxide f2o  
728 SF2- sulfur difluoride anion sf2-  
729 SF2+ sulfur difluoride cation sf2+  
730 Cl2O Dichlorine monoxide cl2o  
731 SCl2 Sulfur dichloride scl2  
732 SeF2 Selenium difluoride sef2  
733 BrOCl Bromine hypochlorite brocl  
734 SeCl2 Selenium Dichloride secl2  
735 SBr2 Sulfur dibromide sbr2  
736 SeBr2 Selenium dibromide sebr2  
737 BrOBr Bromine oxide brobr  
738 F3- trifluoride anion f3-  
739 Cl3- trichloride anion cl3-  
740 Br3- tribromide anion br3-  
741 I3- triiodide i3-  
742 HCCF Fluoroacetylene hccf  
743 HCCF+ fluoroacetylene cation hccf+  
744 HCCCl Chloroacetylene hcccl  
745 HFCO formyl fluoride hfco  
746 HFCO+ formyl fluoride cation hfco+  
747 COHCl Formyl chloride cohcl  
748 COHBr Formyl bromide cohbr  
749 BHF2 Difluoroborane bhf2  
750 BHCl2 Borane, dichloro- bhcl2  
751 CHF2 difluoromethyl radical chf2  
752 HOClO Chlorous acid hoclo  
753 CH2F2 Methane, difluoro- ch2f2  
754 CH2FCl fluorochloromethane ch2fcl  
755 CH2FI fluoroiodomethane ch2fi  
756 CH2Br2 dibromomethane ch2br2  
757 CH2ClI chloroiodomethane ch2cli  
758 CH2BrI bromoiodomethane ch2bri  
759 CH2I2 Diiodomethane ch2i2  
760 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
761 CH2CHF Ethene, fluoro- ch2chf  
762 CH2CHF+ fluoroethene cation ch2chf+  
763 C2H3Cl Ethene, chloro- ch2chcl  
764 C2H3Br vinyl bromide c2h3br  
765 C2H3I Vinyl iodide c2h3i  
766 CH3OCl methyl hypochlorite ch3ocl  
767 C2H5F fluoroethane c2h5f  
768 CH3CH2Cl Ethyl chloride c2h5cl  
769 CH3SiFH2 fluoromethylsilane ch3sifh2  
770 C2H5Br Ethyl bromide etbr  
771 C2H5I Ethyl iodide c2h5i  
772 KrF2 Krypton difluoride krf2  
773 XeF2 Xenon difluoride xef2  
774 B4H10 Tetraborane(10) b4h10  
775 C4+ Carbon tetramer cation c4+  
776 C4H2 Diacetylene c4h2  
777 C2H3CCH 1-Buten-3-yne c2h3cch  
778 C4H4 cyclobutadiene cbd  
779 H2CCCCH2 Butatriene h2cccch2  
780 C4H6 1-Methylcyclopropene c3100047  
781 C4H6 Cyclobutene c822355  
782 C4H6 Methylenecyclopropane c6142730  
783 CH2CCHCH3 1,2-Butadiene butad12  
784 CH2CHCHCH2 1,3-Butadiene c106990  
785 CH3CCCH3 2-Butyne c503173  
786 CHCCH2CH3 1-Butyne c107006  
787 CH3CHCHCH2 methylallyl radical c4h7  
788 C4H8 methylcyclopropane mcp  
789 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
790 CH3CHCHCH3 2-Butene, (E)- bute2e  
791 CH3CHCHCH3 2-Butene, (Z)- bute2z  
792 B(CH3)3 trimethylborane bme3  
793 Al(CH3)3 trimethyl aluminum tma  
794 C(CH3)3 Tert-butyl radical tbutyl  
795 CH2CH(CH3)2 Isobutyl radical isobutyl  
796 CH3CHCH2CH3 2-Butyl radical butyl2  
797 CH3CH(CH3)CH3 Isobutane isobutane  
798 SiH(CH3)3 trimethylsilane trimsi  
799 Li3N trilithium nitride li3n  
800 C2N2+ Cyanogen cation c2n2+  
801 P4 Phosphorus tetramer p4  
802 HCCCN Cyanoacetylene hcccn  
803 C3H3N acrylonitrile ch2chcn  
804 C3H3N+ acrylonitrile cation ch2chcn+  
805 C2H5CN ethyl cyanide c2h5cn  
806 CH5N3 Guanidine guanidine  
807 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
808 CH6N3+ guanidinium ch6n3+  
809 C3H7N Cyclopropylamine cpram  
810 C3H7N Azetidine azet  
811 C2H8N2 Ethylenediamine ethdiam  
812 CH3NHNHCH3 dimethyl hydrazine dmh  
813 CH3CH(NH2)CH3 2-Propanamine pram2  
814 N(CH3)3 Trimethylamine trimeam  
815 P(CH3)3 trimethylphosphine tmp  
816 As(CH3)3 trimethyl arsine tmas  
817 Li2O2 dilithium dioxide li2o2  
818 Na2O2 disodium dioxide na2o2  
819 K2O2 dipotassium dioxide k2o2  
820 B2O2 Diboron dioxide b2o2  
821 CO3 Carbon trioxide co3  
822 CO3-- carbonate co3--  
823 NO3 Nitrogen trioxide no3  
824 NO3+ nitrogen trioxide cation no3+  
825 SO3- Sulfur trioxide anion so3-  
826 SO3-- Sulfate dianion so3--  
827 SO3+ Sulfur trioxide cation so3+  
828 SeO3 selenium trioxide seo3  
829 TeO3 Tellurium trioxide teo3  
830 HCO3- bicarbonate anion hco3-  
831 HNO3 Nitric acid hno3  
832 HSO3 Hydroxysulfonyl radical hso3  
833 C2H2CO cyclopropenone c2h2co  
834 HCCCHO 2-propynal hcccho  
835 C2H2O2 Ethanedial c2h2o2  
836 C2H2O2+ Ethanedial cation c2h2o2+  
837 H2CO3 Carbonic acid h2co3  
838 H2CS3 thiocarbonic acid h2cs3  
839 H2NO3+ Nitric Acid, Protonated h2no3+  
840 H2SO3 Sulfurous acid h2so3  
841 C2H3NO Nitrosoethylene c2h3no  
842 CH3COO- acetate anion ch3coo-  
843 CH3ONO Methyl nitrite ch3ono  
844 NH2COOH Carbamic acid nh2cooh  
845 H3BO3 Boric acid h3bo3  
846 H3CO3+ carbonic acid, protonated h3co3+  
847 C3H4O 2-Propyn-1-ol c107197  
848 C3H4O allenol c9000071  
849 C3H4O Cyclopropanone cpone  
850 C3H4O Methylketene c6004440  
851 CH2CHCHO Acrolein c3h4o  
852 NH2CONH2+ Urea cation urea+  
853 NH2CSNH2 Thiourea thiourea  
854 C2H4O2 1,3-dioxetane c2h4o2  
855 CH3COOH Acetic acid ch3cooh  
856 CH3OCHO methyl formate ch3ocho  
857 CHOCH2OH hydroxy acetaldehyde haa  
858 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
859 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
860 HCOOHH2O Formic acid water dimer hcoohh2o  
861 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
862 CH3COCH2 Acetonyl radical ch3coch2  
863 CH3CONH2 Acetamide acetamide  
864 C2H5OO ethylperoxy radical c2h5oo  
865 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
866 C3H6O 2-Propen-1-ol c107186  
867 C3H6O Oxetane oxetane  
868 C3H6O Propylene oxide prox  
869 CH3COCH3 Acetone acetone  
870 CH3COCH3- acetone anion ch3coch3-  
871 C3H6S Thietane thietane  
872 C3H6S Thiirane, methyl- methiirane  
873 CH3CSCH3 Thioacetone ch3csch3  
874 C2H6O2 1,2-Ethanediol ethdiol  
875 CH3OOCH3 dimethylperoxide dmp  
876 CH3SOCH3 Dimethyl sulfoxide dmso  
877 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
878 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
879 CH3COHCH3+ acetone, protonated acetoneh+  
880 HOCH2CH2NH2 monoethanolamine mea  
881 C3H7OH 1-Propanol proh  
882 CH3CHOHCH3 Isopropyl alcohol isoproh  
883 CH3OC2H5 Ethane, methoxy- etome  
884 C3H7SH 1-Propanethiol prsh  
885 CH3CHSHCH3 2-Propanethiol isoprsh  
886 CH3SCH2CH3 Ethane, (methylthio)- etsme  
887 H2OCH3OCH3 water dimethylether dimer h2och3och3  
888 Na2F2 Sodium Fluoride Dimer na2f2  
889 Na2Cl2 Disodium dichloride na2cl2  
890 C2F2 difluoroacetylene c2f2  
891 C2Cl2 dichloroacetylene c2cl2  
892 C2Cl2+ dichloroacetylene cation c2cl2+  
893 ClNO2 Nitryl chloride clno2  
894 BrONO Bromine nitrite brono  
895 N2F2 (Z)-Difluorodiazene n2f2_z  
896 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
897 CF2O Carbonic difluoride f2co  
898 COFCl Carbonic chloride fluoride cofcl  
899 CCl2O Phosgene cl2co  
900 Cl2CS Thiophosgene cl2cs  
901 COBr2 Carbonic dibromide cobr2  
902 BF3 Borane, trifluoro- bf3  
903 BF3- Borane, trifluoro- anion bf3-  
904 AlF3 Aluminum trifluoride alf3  
905 BClF2 Chlorodifluoroborane bclf2  
906 AlF2Cl Aluminum chloride difluoride alclf2  
907 ScF3 Scandium trifluoride ScF3  
908 AlFCl2 Aluminum dichloride fluoride alcl2f  
909 BCl3+ Boron Trichloride cation bcl3+  
910 GaF3 Gallium trifluoride gaf3  
911 AlCl3 Aluminum trichloride alcl3  
912 GaCl3 Gallium trichloride gacl3  
913 BBr3 Boron tribromide bbr3  
914 AlBr3 Aluminum Bromide albr3  
915 ClO3 Chlorine trioxide clo3  
916 ClO3- chlorate anion clo3-  
917 BrO3- Bromate anion bro3-  
918 CF3 Trifluoromethyl radical cf3  
919 CF3- Trifluoromethyl anion cf3-  
920 CF3+ Trifluoromethyl cation cf3+  
921 CCl3 Trichloromethyl radical ccl3  
922 CCl3- Trichloromethyl anion ccl3-  
923 CCl3+ Trichloromethyl cation ccl3+  
924 SiCl3 trichlorosilyl radical sicl3  
925 SiCl3+ trichlorosilyl cation sicl3+  
926 FOOF Perfluoroperoxide foof  
927 F2SO Thionyl Fluoride f2so  
928 FSSF Difluorodisulfane fssf  
929 S2F2 Thio-thionyl fluoride s2f2  
930 SOCl2 thionyl chloride socl2  
931 SeOCl2 selenium oxychloride seocl2  
932 NF3 Nitrogen trifluoride nf3  
933 NF3- Nitrogen trifluoride anion nf3-  
934 NF3+ Nitrogen trifluoride cation nf3+  
935 PF3 Phosphorus trifluoride pf3  
936 AsF3 Arsenic trifluoride asf3  
937 PCl3 Phosphorus trichloride pcl3  
938 SbF3 Antimony Trifluoride sbf3  
939 SbCl3 Antimony Trichloride sbcl3  
940 PBr3 Phosphorus tribromide pbr3  
941 AsBr3 Arsenic tribromide asbr3  
942 NI3 Nitrogen triiodide ni3  
943 PI3 Phosphorus triiodide pi3  
944 ClSSCl Disulfur dichloride s2cl2  
945 SF3 Sulfur trifluoride sf3  
946 BrF3 Bromine trifluoride brf3  
947 IF3 iodone trifluoride if3  
948 CHF3 Methane, trifluoro- chf3  
949 CHF2Cl difluorochloromethane chf2cl  
950 CHFCl2 fluorodichloromethane chfcl2  
951 CDCl3 trichloromethane-d cdcl3  
952 CHCl3 Chloroform chcl3  
953 CHBrF2 Methane, bromodifluoro- chbrf2  
954 SiHCl3 Trichlorosilane sihcl3  
955 CHF2I difluoroiodomethane chf2i  
956 CHFClI fluorochloroiodomethane chfcli  
957 CHCl2I dichloroiodomethane chcl2i  
958 CHClBr2 Methane, dibromochloro- chclbr2  
959 CHBr3 bromoform chbr3  
960 CHI3 Iodoform chi3  
961 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
962 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
963 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
964 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
965 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
966 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
967 C2H2Br2 1,1-dibromoethene c2h2br2  
968 CH2FCHO Fluoroacetaldehyde ch2fcho  
969 CH3COF Acetyl fluoride ch3cof  
970 CH2ClCHO chloroacetaldehyde ch2clcho  
971 CH3COCl Acetyl Chloride ch3cocl  
972 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
973 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
974 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
975 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
976 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
977 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
978 CH2CFCH3 2-fluoropropene 2fpro  
979 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
980 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
981 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
982 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
983 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
984 CH3CHClCH3 Propane, 2-chloro- prcl2  
985 CH3CH2CH2Br n-propyl bromide prbr  
986 CH3CHBrCH3 i-propyl bromide iprbr  
987 C3H9O+ trimethyl oxonium cation c3h9o+  
988 C5H5 cyclopentadienyl radical c5h5  
989 C5H5- cylopentadienyl anion c5h5-  
990 C5H6 1,3-Cyclopentadiene c542927  
991 C5H6 1-Buten-3-yne, 2-methyl- c78808  
992 C5H6 3-Penten-1-yne, (E)- c2004695  
993 C5H6 3-Penten-1-yne, (Z)- c1574409  
994 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
995 C5H6 Cyclopropylacetylene c6746947  
996 C5H7 1,3-pentadienyl radical pdyl  
997 C5H7 cyclopentenyl radical cpyl  
998 C5H8 1,2-Butadiene, 3-methyl- c598254  
999 C5H8 1,2-Pentadiene c591957  
1000 C5H8 1,3-Butadiene, 2-methyl- c78795  
1001 C5H8 1,3-Pentadiene, (E)- c2004708  
1002 C5H8 1,3-Pentadiene, (Z)- c1574410  
1003 C5H8 1,4-Pentadiene c591935  
1004 C5H8 1-pentyne a1pentyne  
1005 C5H8 2,3-Pentadiene c591968  
1006 C5H8 Cyclobutane, methylene- c1120565  
1007 C5H8 Cyclopentene c142290  
1008 C5H8 Ethenylcyclopropane c693867  
1009 CH3CCCH2CH3 2-Pentyne 2pentyne  
1010 C5H10 1-Butene, 2-methyl- c563462  
1011 C5H10 2-Butene, 2-methyl- c513359  
1012 C5H10 2-Pentene, (E)- c646048  
1013 C5H10 2-Pentene, (Z)- c627203  
1014 C5H10 Cyclopentane c287923  
1015 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1016 CH2CHCH2CH2CH3 1-pentene pentene  
1017 C5H11 2-Methylbut-2-yl radical c4348350  
1018 C5H12 Butane, 2-methyl- buta2  
1019 C5H12 Pentane pentane  
1020 C5H12 Propane, 2,2-dimethyl- neopentane  
1021 Si(CH3)4 tetramethylsilane tms  
1022 N2O3 Dinitrogen trioxide n2o3  
1023 C3H2N2 Malononitrile c3h2n2  
1024 CH2N4 1H-Tetrazole 1htz  
1025 C3H3N2 imidazolyl radical im  
1026 C3H3N2- imidizolyl anion im-  
1027 C2H3N3 1H-1,2,4-Triazole c288880  
1028 C4H4N pyrrolide radical c4h4n  
1029 C4H4N- pyrrolide anion c4h4n-  
1030 C3H4N2 1H-Pyrazole 1hpyraz  
1031 C4H5N (E)-2-Butenenitrile c627269  
1032 C4H5N (Z)-2-Butenenitrile c1190767  
1033 C4H5N 2H-pyrrole pyrrole2  
1034 C4H5N 3H-pyrrole pyrrole3  
1035 C4H5N Cyclopropanecarbonitrile c5500210  
1036 CH2CHCH2CN Allylcyanide ch2chch2cn  
1037 C3H6N2 3-Aminopropionitrile c151188  
1038 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1039 CH3CH2CH2CN Butanenitrile c109740  
1040 C5H8 Bicyclo[2.1.0]pentane c185944  
1041 C5H8 Spiropentane c157404  
1042 C4H9N Cyclobutylamine cbam  
1043 C4H9N Pyrrolidine pyrrolidine  
1044 C3H10N2 1,2-Diaminopropane diampr12  
1045 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1046 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1047 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1048 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1049 NC4H12+ tetramethyl ammonium cation nc4h12+  
1050 C3O2+ Carbon suboxide cation c3o2+  
1051 B2O3 diboron trioxide b2o3  
1052 CaCO3 Calcium Carbonate caco3  
1053 ONONO Nitrosyl nitrite onono  
1054 PO4--- phosphate po4---  
1055 SO4-- sulfate so4--  
1056 HOONO2 peroxy nitric acid hoono2  
1057 HSO4- bisulfate anion hso4-  
1058 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1059 C3H2O2 Propiolic acid c3h2o2  
1060 CHOCOOH oxo acetic acid oaa  
1061 H2SO4 Sulfuric acid h2so4  
1062 H2SeO4 Selenic acid h2seo4  
1063 C3H3NO Isoxazole isox  
1064 C3H3NO Oxazole oxazole  
1065 C3H3NS Thiazole thiazole  
1066 CH3C(O)OO acetyl peroxy radical ch3coo2  
1067 CH3NO3 Methyl nitrate ch3no3  
1068 H3PO4 Phosphoric Acid h3po4  
1069 C4H4O Furan furan  
1070 C4H4O+ Furan cation furan+  
1071 C4H4S Thiophene furans  
1072 C3H4O2 β–Propiolactone beta  
1073 C3H4O2 2-Propenoic acid propenoic2  
1074 C3H4O2 Methyl glyoxal megly  
1075 C3H4O2 propanedial propanedial  
1076 C3H4O2 propenalol propenalol  
1077 HOCHCCHOH allenediol aldiol  
1078 C2H4O3 1,2,3-trioxolane c2h4o3  
1079 C2H4O3 trioxolane124 triox  
1080 HOCH2COOH Hydroxyacetic acid hac  
1081 CH2CHCONH2 Acrylamide c79061  
1082 CH5N3S Hydrazinecarbothioamide c79196  
1083 H2NCH2COOH Glycine glycine  
1084 C4H6O cis-2-butenal butenal2c  
1085 C4H6O Cyclobutanone cbutone  
1086 C4H6O Furan, 2,3-dihydro- furan23h  
1087 C4H6O Furan, 2,5-dihydro- furan25h  
1088 CH2CHOCHCH2 Vinyl ether vinylether  
1089 CHOCHCHCH3 2-Butenal butenal2  
1090 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1091 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1092 C2H6N2O Urea, methyl- c598505  
1093 C3H6O2 1,3-Dioxolane dioxolane  
1094 CH3CH2COOH Propanoic Acid propanoic  
1095 CH3COOCH3 methyl acetate aame  
1096 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1097 C3H7NO dimethylformamide dmf  
1098 C3H7NO Propanamide propanam  
1099 C2H3OC2H5 Ethene, ethoxy- c109922  
1100 C4H8O Cyclobutanol c2919235  
1101 C4H8O Furan, tetrahydro- thf  
1102 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1103 CH3COCH2CH3 2-Butanone buta2one  
1104 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1105 CHOCH2CH2CH3 Butanal butanal  
1106 C3H8O2 1,3-Propanediol c504632  
1107 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1108 C3H8O2 Methane, dimethoxy- c109875  
1109 C3H8O2 Propylene glycol c57556  
1110 C3H8S2 1,3-Propanedithiol c109808  
1111 C4H10O 1-Butanol butanol1  
1112 C4H10O 1-Propanol, 2-methyl- c78831  
1113 C4H10O 2-Butanol, (.+/-.)- butanol2  
1114 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1115 C4H10O Ethoxy ethane etoet  
1116 C4H10O Propane, 2-methoxy- c598538  
1117 C4H10O+ 1-Butanol cation butanol1+  
1118 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1119 C2H5SC2H5 Diethyl sulfide etset  
1120 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1121 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1122 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1123 FNO3 Fluorine nitrate fno3  
1124 ClONO2 Chlorine nitrate clono2  
1125 BrONO2 Bromine nitrate brono2  
1126 TiCl4 Titanium tetrachloride ticl4  
1127 ClO4- perchlorate anion clo4-  
1128 BF4- tetrafluoroboron anion bf4-  
1129 ClFO3 Perchloryl fluoride clfo3  
1130 SO2F2 Sulfuryl fluoride so2f2  
1131 SO2Cl2 Sulfuryl chloride so2cl2  
1132 F3NO Nitrogen trifluoride oxide f3no  
1133 F3PO Phosphoryl fluoride pf3o  
1134 Cl3PO Phosphoryl chloride pcl3o  
1135 CF4 Carbon tetrafluoride cf4  
1136 CF3Cl Methane, chlorotrifluoro- cf3cl  
1137 SiF4 Silicon tetrafluoride sif4  
1138 CF2Cl2 difluorodichloromethane cf2cl2  
1139 TiF4 Titanium tetrafluoride tif4  
1140 CFCl3 Trichloromonofluoromethane cfcl3  
1141 GeF4 Germanium tetrafluoride gef4  
1142 CCl4 Carbon tetrachloride ccl4  
1143 CCl4+ Carbon tetrachloride cation ccl4+  
1144 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1145 SiCl4 Silane, tetrachloro- sicl4  
1146 CF3I trifluoroiodomethane cf3i  
1147 CBrCl3 Methane, bromotrichloro- cbrcl3  
1148 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1149 GeCl4 Germanium Tetrachloride gecl4  
1150 CCl3I trichloroiodomethane ccl3i  
1151 CFClBrI fluorochlorobromoiodomethane cfclbri  
1152 CF2I2 difluorodiiodomethane cf2i2  
1153 CBr4 Carbon tetrabromide cbr4  
1154 CCl2I2 dichlorodiiodomethane ccl2i2  
1155 CBr3I tribromoiododmethane cbr3i  
1156 GeBr4 Germanium tetrabromide gebr4  
1157 CI4 tetraiodomethane ci4  
1158 SiI4 silicon tetraiodide sii4  
1159 SCl4 Sulfur tetrachloride scl4  
1160 C2HF3 Trifluoroethylene c2hf3  
1161 C2HF3+ Trifluoroethylene cation c2hf3+  
1162 CHClCCl2 Trichloroethylene chclccl2  
1163 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1164 HClO4 perchloric acid hclo4  
1165 HSO3F Fluorosulfonic acid hso3f  
1166 CF3OH trifluoromethanol cf3oh  
1167 CHClCCHCl 1,3-dichloroallene chclcchcl  
1168 CHCl2CHO dichloroacetaldehyde chcl2cho  
1169 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1170 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1171 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1172 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1173 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1174 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1175 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1176 NH3BCl3 Amminetrichloroboron nh3bcl3  
1177 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1178 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1179 C3H5ClO Oxirane, (chloromethyl)- c106898  
1180 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1181 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1182 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1183 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1184 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1185 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1186 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1187 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1188 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1189 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1190 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1191 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1192 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1193 C4H9F 1-fluorobutane butaf1  
1194 CH3CHFCH2CH3 2-fluorobutane butaf2  
1195 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1196 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1197 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1198 XeF4 Xenon tetrafluoride xef4  
1199 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1200 C6H2 hexatriyne c6h2  
1201 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1202 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1203 C6H4 Benzyne benzyne  
1204 C6H5 phenyl phenyl  
1205 C6H5- phenyl anion phenyl-  
1206 C6H6 2,4-Hexadiyne hexadiyne  
1207 C6H6 3,4-Dimethylenecyclobutene cb34m  
1208 C6H6 Benzene benzene  
1209 C6H6 Trimethylenecycopropane tmcp  
1210 C6H6+ Benzene cation c6h6+  
1211 C6H8 (E)-hexa-1,3,5-triene c821078  
1212 C6H8 (E)-hexa-2,3,4-triene c59660650  
1213 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1214 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1215 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1216 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1217 C6H8 3-Methylenecyclopentene c930267  
1218 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1219 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1220 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1221 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1222 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1223 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1224 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1225 C6H10 1,5-Hexadiene c592427  
1226 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1227 C6H10 1-Hexyne hexyne1  
1228 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1229 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1230 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1231 C6H10 2-Hexyne c764352  
1232 C6H10 cyclohexene cyclohexene  
1233 C6H10 Cyclopentene, 1-methyl- c693890  
1234 C6H10 Cyclopentene, 3-methyl- c1120623  
1235 C6H10 Cyclopentene, 4-methyl- c1759815  
1236 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1237 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1238 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1239 C6H12 (E)-2-Hexene e2hexene  
1240 C6H12 (E)-3-methylpent-2-ene c616126  
1241 C6H12 (E)-hex-3-ene e3hexene  
1242 C6H12 (Z)-3-methylpent-2-ene c922623  
1243 C6H12 (Z)-hex-2-ene z2hexene  
1244 C6H12 (Z)-hex-3-ene z3hexene  
1245 C6H12 2,3-dimethylbut-1-ene c563780  
1246 C6H12 2,3-dimethyl-but-2-ene tmeet  
1247 C6H12 3-methylenepentane c760214  
1248 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1249 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1250 C6H12 Cyclohexane cyclohexane  
1251 C6H12 Cyclopentane, methyl- c96377  
1252 C6H12 Ethylcyclobutane c4806615  
1253 C6H12 hex-1-ene hexene1  
1254 C6H14 Butane, 2,2-dimethyl- buta22  
1255 C6H14 Butane, 2,3-dimethyl- buta23  
1256 C6H14 Hexane hexane  
1257 C6H14 Pentane, 2-methyl- penta2  
1258 C6H14 Pentane, 3-methyl- penta3  
1259 C4N2 2-Butynedinitrile c4n2  
1260 C4H2N2 Fumaronitrile c4h2n2  
1261 C2H2N4 sym-tetrazine ttz  
1262 C3H3N3 1,3,5-Triazine triazine135  
1263 CH3N5 5-Aminotetrazole c4418615  
1264 C4H4N2 1,3-Diazine diazine13  
1265 C4H4N2 Pyrazine pyrazine  
1266 C4H4N2 Pyridazine pyridazine  
1267 C4H4N2 Succinonitrile c110612  
1268 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1269 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1270 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1271 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1272 C5H5N E-2,4-pentadienenitrile bdcn  
1273 C5H5N Pyridine pyridine  
1274 B3N3H6 borazine borazine  
1275 C6H6 Fulvene fulvene  
1276 C5H6N+ Pyridinium c5h6n  
1277 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1278 C5H7N (E)-2-Pentenenitrile c26294984  
1279 C5H7N (E)-3-Pentenenitrile c16529661  
1280 C5H7N (Z)-2-Pentenenitrile c25899507  
1281 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1282 C5H7N Cyclobutanecarbonitrile c4426113  
1283 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1284 C5H9N Butanenitrile, 2-methyl- c18936179  
1285 C5H9N Pentanenitrile c110598  
1286 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1287 C6H10 Bicyclo[3.1.0]hexane c285585  
1288 C5H11N Cyclopentanamine cypentam  
1289 C5H11N Piperidine piper  
1290 C4H12N2 1,2-Butanediamine c4426486  
1291 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1292 Li2CO3 Lithium Carbonate li2co3  
1293 Na2CO3 Sodium Carbonate na2co3  
1294 C2O4-- oxalate anion c2o4  
1295 N2O4 Dinitrogen tetroxide n2o4  
1296 C2H3NO3 Oxamic acid oxamic  
1297 C4H4O2 2(5H)-Furanone furanone  
1298 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1299 C2H4N2O2 Oxalamide oxalamide  
1300 C2H4CO3 Ethylene carbonate etco3  
1301 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1302 C3H4S3 1,3-Dithiolane-2-thione c822388  
1303 C2H4O4 Formic acid dimer fadimer  
1304 C4H5NO 3-Methylisoxazole isox3m  
1305 C4H5NO Isoxazole, 5-methyl- c5765446  
1306 C4H5NS 4-Methylthiazole c693958  
1307 C2H5NO3 Nitric acid, ethyl ester c625581  
1308 C5H6O 2-methylfuran furan2m  
1309 C5H6O 3-Methylfuran furan3m  
1310 C5H6S Thiophene, 2-methyl- c554143  
1311 C5H6S Thiophene, 3-methyl- c616444  
1312 C4H6O2 2,3-Butanedione c431038  
1313 C4H6O2 2-Propenoic acid, methyl ester c96333  
1314 C4H6O2 Crotonic Acid crot  
1315 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1316 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1317 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1318 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1319 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1320 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1321 C4H6OS Vinyl sulfoxide c1115157  
1322 CH6N4S Carbonothioic dihydrazide thiacarb  
1323 C2H6N2O2 (E)-Azodioxymethane c37765154  
1324 C2H6N2O2 Dimethylnitroamine c4164287  
1325 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1326 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1327 C4H7NO 2-Pyrrolidinone c616455  
1328 C4H7NO Ethoxyacetonitrile etoaccn  
1329 C4H7NO Methacrylamide c79390  
1330 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1331 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1332 C3H7ONO Propyl nitrite prono  
1333 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1334 CH3CH(NH2)COOH Alanine alanine  
1335 CH3NHCH2COOH Sarcosine sarcosine  
1336 NH2CH2CH2COOH β–alanine betaalanine  
1337 NH2COOC2H5 Urethane urethane  
1338 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1339 C5H8O Cyclopentanone c120923  
1340 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1341 C5H8O Methyl cyclopropyl ketone c765435  
1342 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1343 NH2CONHC2H5 Urea, ethyl- c625525  
1344 C4H8O2 1,3-Dioxane dioxan13  
1345 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1346 C4H8O2 1,4-Dioxane dioxan14  
1347 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1348 C4H8O2 Ethyl acetate c141786  
1349 C4H8OS s-Ethyl thioacetate c625605  
1350 C3H8O3 1,2,3-Propanetriol glycerin  
1351 C3H8O2S (Methylsulfonyl)ethane c594434  
1352 C4H9NO Butanamide c541355  
1353 C4H9NO Propanamide, 2-methyl- c563837  
1354 C5H10O 2-Butanone, 3-methyl- c563804  
1355 C5H10O 2H-Pyran, tetrahydro- c142687  
1356 C5H10O 2-methylbutyraldehyde 2meba  
1357 C5H10O 2-Pentanone mpk  
1358 C5H10O Cyclopentanol c96413  
1359 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1360 C5H10O Pentanal pal  
1361 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1362 C5H10S 3-Ethylthio-1-propene c5296628  
1363 C5H10S Cyclopentanethiol c1679078  
1364 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1365 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1366 C4H10O2 1,1-Dimethoxyethane c534156  
1367 C4H10O2 1,3-Butanediol budiol13  
1368 C4H10O2 1,4-Butanediol budiol14  
1369 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1370 C4H10OS Diethyl sulfoxide c70291  
1371 C4H10S2 1,4-Butanedithiol budisl14  
1372 C4H11NO Diethylhydroxylamine c3710847  
1373 C5H12O 1-Butanol, 2-methyl- c137326  
1374 C5H12O 1-Butanol, 3-methyl- c123513  
1375 C5H12O 1-Pentanol pentanol1  
1376 C5H12O 2-Butanol, 3-methyl- c598754  
1377 C5H12O 2-Pentanol peol2  
1378 C5H12O 3-Pentanol pentan3ol  
1379 C5H12O Butane, 1-methoxy- meobu  
1380 C5H12O Propane, 1-ethoxy- proet  
1381 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1382 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1383 C5H12S 1-Butanethiol, 3-methyl- c541311  
1384 C5H12S 1-Pentanethiol c110667  
1385 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1386 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1387 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1388 C5H12S Butane, 1-(methylthio)- c628295  
1389 C5H12S Ethyl propyl sulfide c4110503  
1390 C5H12S Propane, 2-(ethylthio)- c5145993  
1391 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1392 CF3CN Acetonitrile, trifluoro- cf3cn  
1393 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1394 B2F4 Diboron tetrafluoride b2f4  
1395 B2Cl4 Diboron tetrachloride b2cl4  
1396 C2F4 Tetrafluoroethylene c2f4  
1397 C2F4+ Tetrafluoroethylene cation c2f4+  
1398 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1399 C2FCl3 fluorotrichloroethene c2fcl3  
1400 C2Cl4 Tetrachloroethylene c2cl4  
1401 C2Br4 tetrabromoethene c2br4  
1402 CF3OF Trifluoromethylhypofluorite cf3of  
1403 PF5 Phosphorus pentafluoride pf5  
1404 AsF5 Arsenic pentafluoride asf5  
1405 PCl5 Phosphorus pentachloride pcl5  
1406 SF5 Sulfur pentafluoride sf5  
1407 SbCl5 Antimony pentachloride sbcl5  
1408 BrF5 bromine pentafluoride brf5  
1409 ClF5 chlorinepentafluoride clf5  
1410 IF5 pentafluoroiodine if5  
1411 CF3CHO trifluoroacetaldehyde cf3cho  
1412 CCl3CHO trichloroacetaldehyde ccl3cho  
1413 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1414 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1415 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1416 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1417 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1418 CF3COOH trifluoroacetic acid cf3cooh  
1419 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1420 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1421 C4H8Cl2 1,4-Dichlorobutane c110565  
1422 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1423 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1424 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1425 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1426 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1427 C5H11Cl Pentane, 1-chloro- pencl1  
1428 C6H5CH2 benzyl radical benzyl  
1429 C6H5CH3 toluene toluene  
1430 C7H8 cycloheptatriene cht  
1431 C7H8 Norbornadiene norbor  
1432 C7H8 Quadricyclane qucy  
1433 C7H12 Norbornane nor  
1434 C7H14 cycloheptane c7h14  
1435 C7H16 2-methylhexane 2mhex  
1436 C7H16 3-methylhexane hex3m  
1437 C7H16 heptane heptane  
1438 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1439 C6H7N 2-Methylpyridine mp  
1440 C6H5NH2 aniline aniline  
1441 C6H13N 2-Methylpiperidine pip2m  
1442 C6H13N cyclohexanamine cham  
1443 C6H15N triethylamine tea  
1444 N2O5 Dinitrogen pentoxide n2o5  
1445 C4H2O3 Maleic Anhydride malan  
1446 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1447 C5H4O2 furfural furfural  
1448 C6H5O phenoxy radical phenoxy  
1449 C5H5NO 2(1H)-Pyridinone c72762006  
1450 C5H5NO 2(3H)-Pyridinone c9000048  
1451 C5H5NO 2(5H)-Pyridinone c9000037  
1452 C5H5NO 2-Pyridinol c109104  
1453 C5H5NO 3(2H)-Pyridinone c9000004  
1454 C5H5NO 3(4H)-Pyridinone c9000026  
1455 C5H5NO 3(6H)-Pyridinone c9000015  
1456 C5H5NO 3-Pyridinol c109002  
1457 C5H5NO 4(1H)-Pryidinone c9000060  
1458 C5H5NO 4(3H)-Pryidinone c9000059  
1459 C5H5NO 4-Pyridinol c626642  
1460 C6H5OH phenol phenol  
1461 C6H6O 2,4-Cyclohexadienone c24599573  
1462 C6H6O 2,5-Cyclohexadienone c5664335  
1463 C6H5SH Benzenethiol phsh  
1464 HO2CCHNH2CH2OH Serine serine  
1465 C5H8O2 Acetylacetone acac  
1466 C4H8O2S Sulfolane sulfolane  
1467 C7H10 Norbornene norbornene  
1468 CH(C2H3)3 trivinyl methane tvm  
1469 C6H10O cyclohexanone chexo  
1470 C6H12O hexanal c6h12o  
1471 C3H7OC3H7 di-n-propyl ether propr  
1472 CF3COCl trifluoroacetyl chloride cf3cocl  
1473 PF6- Hexafluorophosphate ion pf6-  
1474 SeF6 Selenium hexafluoride sef6  
1475 SF5Cl sulfur chloropentafluoride sf5cl  
1476 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1477 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1478 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1479 CCl3CHCl2 pentachloroethane ccl3chcl2  
1480 C6H5F Fluorobenzene bzf  
1481 C6H5Cl chlorobenzene bzcl  
1482 C6H5Br bromobenzene bzbr  
1483 C8H6 Calicene calicene  
1484 C6H5CCH phenylacetylene phac  
1485 C8H6 benzocyclobutadiene bcbd  
1486 C8H6 Pentalene pentalene  
1487 C6H5CHCH2 Styrene styrene  
1488 C8H8 cubane cubane  
1489 C8H8 cyclooctatetraene cot  
1490 C6H5CH2CH3 Ethylbenzene etbz  
1491 CH3C6H4CH3 meta-xylene mxylene  
1492 CH3C6H4CH3 paraxylene pxylene  
1493 C8H14 Bicyclo[2.2.2]octane bico222  
1494 C8H16 cyclooctane cyclooct  
1495 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1496 C8H18 Octane c8h18  
1497 C6H5CN phenyl cyanide phcn  
1498 C6H12N2 Triethylenediamine ted  
1499 C4O4-- squarate dianion c4o4--  
1500 S8 Octasulfur s8  
1501 C6H4O2 parabenzoquinone pbq  
1502 C4H4N2O2 Uracil uracil  
1503 C6H5CHO benzaldehyde benzal  
1504 C6H5OCH3 Anisole anisole  
1505 C5H9NO2 Proline proline  
1506 C6H12O2 Methyl pivalate c598981  
1507 C6H12O2 Hexanoic acid hexa  
1508 C4F4 tetrafluorcyclobutadiene c4f4  
1509 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1510 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1511 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1512 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1513 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1514 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1515 C2F6 hexafluoroethane c2f6  
1516 C2Cl6 hexachloroethane c2cl6  
1517 IF7 Iodine heptafluoride if7  
1518 C6H4F2 metadifluorobenzene mdfb  
1519 C6H4F2 orthodifluorobenzene odfb  
1520 C6H4F2 1,4-difluorobenzene pdfb  
1521 C6H4Cl2 1,2-dichlorobenzene dcb12  
1522 C6H4Cl2 1,3-dichlorobenzene dcb13  
1523 C9H8 Indene indene  
1524 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1525 C9H12 n-propyl benzene prbz  
1526 C9H20 Nonane nonane  
1527 C(CN)4 tetracyanomethane c5n4  
1528 C5H4N4 purine purine  
1529 C8H7N Indole indole  
1530 C3H3N3O3 cyanuric acid cyanuric  
1531 C6H5NO2 Nitrobenzene c6h5no2  
1532 C6H5COOH benzoic acid benzo  
1533 CH3COC6H5 acetophenone acph  
1534 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1535 C6H3F3 Benzene trifluoride 123 bzf3a  
1536 C10H8 Azulene azu  
1537 C10H10 bullvalene bullv  
1538 C10H16 adamantane adamantane  
1539 C6N4 Tetracyanoethylene tcne  
1540 C6N4- tetracyanoethylene anion tcne-  
1541 C10H22 Decane decane  
1542 C4F6 perfluorobutadiene c4f6  
1543 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1544 C3F8 perfluoropropane c3f8  
1545 Fe(CO)5 Iron pentacarbonyl ipc  
1546 Fe(C5H5)2 ferrocene fecp2  
1547 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1548 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1549 C12H8 Acenaphthylene acenaph  
1550 C12H8 biphenylene biph  
1551 C12H10 biphenyl biphenyl  
1552 C12H10 Heptalene heptalene  
1553 C6H12O6 Inositol inositol  
1554 C6F6 hexafluorobenzene c6f6  
1555 C13H10 Fluorene fluorene  
1556 C14H10 Anthracene anth  
1557 C14H10 Phenanthrene phenanthrene  
1558 C14H14 Bibenzyl bibenzyl  
1559 C12H10N2 azobenzene azobenzene  
1560 C6H5COC6H5 benzophenone benzophenone  
1561 C16H10 Pyrene pyrene  
1562 C18H12 Tetracene tetracene  
1563 C19H16 Triphenylmethane tpm  
1564 C24H12 Coronene coronene  
1565 C60 Buckminsterfullerene c60