National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
XXIOddities

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III.F.1. (I.A.4.)

List of which calculations are completed at MP3=FULL /Def2TZVPP

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 He Helium atom 1SKh
3 He Helium atom   
4 He+ Helium atom cation 2SKh
5 HeH+ Helium hydride cation 1ΣC∞v
6 He2+ helium diatomic cation 2ΣuD∞h
7 KH Potassium hydride 1ΣC∞v
8 MgH magnesium monohydride 2ΣC∞v
9 ZnH+ Zinc, protonated   
10 BeH2+ Beryllium dihydride cation   
11 Al- Aluminum atom anion 3PKh
12 BH3+ boron trihydride cation 2B2C2v
13 BH3+ boron trihydride cation  C2v
14 AlH3- aluminum trihydride anion  C3v
15 BH4- borohydride anion 1A1Td
16 C Carbon atom 3P0Kh
17 Si- Silicon atom anion 4SKh
18 CH2- methylene anion 2B1C2v
19 GeH2 germylene 1A1C2v
20 SiH3+ Silyl cation 1A1'D3h
21 SiH2D2 silane-d2   
22 GeH4 Germane 1A1Td
23 SiH5+ Silane, protonated   
24 N Nitrogen atom 4SKh
25 P Phosphorus atom 4SKh
26 As Arsenic atomic 4SKh
27 As- Arsenic anion 3PKh
28 As+ Arsenic cation 3PKh
29 PH phosphorus monohydride 3Σ-C∞v
30 NH2 Amino radical 2B1C2v
31 NH2+ Amino cation 3B1C2v
32 NH2+ Amino cation 1A1C2v
33 PH3 Phosphine 1A1C3v
34 PH3+ Phosphine cation 2A1C3v
35 NH4 Ammonium radical   
36 PH4 Phosphoranyl radical   
37 O Oxygen atom 3SKh
38 S Sulfur atom   
39 Se Selenium atom 3PKh
40 Se- Selenium atom anion 2PKh
41 Se+ Selenium atom cation 4SKh
42 Te Tellurium atom   
43 OH Hydroxyl radical 2ΠC∞v
44 OH+ hydoxyl cation 3ΣC∞v
45 HS- mercapto anion 1ΣC∞v
46 HS+ sulfur monohydride cation 3ΣC∞v
47 HSe Selenium monohydride 2ΠC∞v
48 HSe- selenium monohydride anion 1ΣC∞v
49 HSe+ selenium monohydride cation 3ΣC∞v
50 H2O Water 1A1C2v
51 H2O- water anion 2A1C2v
52 H2O- water anion 2A'Cs
53 H2O+ water cation 2B1C2v
54 HDO Water-d1 1A1C2v
55 H2Se Hydrogen selenide 1A1C2v
56 H2Se+ Hydrogen selenide cation 2B1C2v
57 H3S+ Sulfonium cation 1A1C3v
58 H3Se+ Hydrogen Selenide, protonated 1A1C3v
59 F Fluorine atom 2PKh
60 Cl Chlorine atom 2PKh
61 Br Bromine atom 2PKh
62 Br- Bromine atom anion 1SKh
63 Br+ Bromine atom cation 3PKh
64 I Iodine atom 2PKh
65 I- Iodine atom anion 1SKh
66 I+ Iodine atom cation 3PKh
67 HCl+ hydrogen chloride cation 2ΠC∞v
68 HBr hydrogen bromide 1ΣC∞v
69 HBr- hydrogen bromide anion 2ΣC∞v
70 HBr+ hydrogen bromide cation 2ΠC∞v
71 HI Hydrogen iodide 1ΣC∞v
72 HI+ Hydrogen iodide cation   
73 H2Cl+ dihydrogen monochloride cation 1A1C2v
74 H2Br+ protonated hydrogen bromide 2A1C2v
75 H2I+ Iodonium   
76 Ne Neon atom   
77 Kr Krypton atom 1SKh
78 Kr+ Krypton cation 2PKh
79 Xe Xenon atom 1SKh
80 HeLi+ Helium Lithium cation   
81 ArH+ Argon hydride cation 1ΣC∞v
82 KrH+ Protonated Krypton 1ΣC∞v
83 XeH+ Xenon, protonated 1ΣC∞v
84 Na2- sodium diatomic anion 2ΣuD∞h
85 LiAl Lithium Aluminum   
86 HBBH Diborane(2) 3ΣGD∞h
87 B2H4 Diborane(4) D2d 1A1D2d
88 B2H6 Diborane 1AgD2h
89 B2H6+ Diborane cation   
90 CaC Calcium monocarbide   
91 SiGe Silicon Germanium   
92 C2H- Ethynyl anion 1ΣC∞v
93 C2H2+ acetylene cation 2ΠuD∞h
94 C2H2+ acetylene cation   
95 H2CC- vinylidene anion   
96 HCCH- acetylene anion   
97 HCCH- acetylene anion   
98 CH3Li methyl lithium 1A1C3v
99 C2H3 vinyl 2A'Cs
100 C2H3+ vinyl cation 1A1C2V bridging H
101 C2H3+ vinyl cation 1A1C2V HCCH2
102 Si2H4 Disilene   
103 C2H5 Ethyl radical 2A'Cs
104 Si2H6 disilane 1EuD3d
105 LiP Lithium monophosphide   
106 LiP Lithium monophosphide   
107 MgN Magnesium Nitride   
108 MgN Magnesium Nitride   
109 CN Cyano radical 2ΣC∞v
110 SiP Silicon monophosphide 2ΠC∞v
111 HCN Hydrogen cyanide 1ΣC∞v
112 HCN+ hydrogen cyanide cation 2ΠC∞v
113 HNC+ hydrogen isocyanide cation   
114 NNH+ Dinitrogen monohydride cation 1ΣC∞v
115 LiNH2 lithium amide   
116 HBNH Boranimine 1ΣC∞v
117 CH2NH Methanimine 1A'Cs
118 CH2NH+ Methanimine cation   
119 CHNH2 aminomethylene   
120 CHNH2+ Aminocarbene cation   
121 BH2NH2 Boranamine   
122 SiH3NH2 Silane, amino   
123 BH3PH3 borane phosphine   
124 CH3NH3 methyl ammonium radical 2A1C3v
125 N2H7+ ammonia ammonium dimer   
126 CaO Calcium monoxide 1ΣC∞v
127 CaS Calcium sulfide 1ΣC∞v
128 BO boron monoxide 2ΣC∞v
129 CO+ carbon monoxide cation 2ΣC∞v
130 SiSe Silicon Monoselenide   
131 SiSe+ Silicon Monoselenide cation   
132 NO Nitric oxide 2ΠC∞v
133 NO- nitric oxide anion 3ΣC∞v
134 NO+ nitric oxide cation 1ΣC∞v
135 PS phosphorus sulfide 2ΣC∞v
136 SO+ sulfur monoxide cation 2ΠC∞v
137 S2 Sulfur diatomic 3ΣgD∞h
138 SeO Selenium monoxide 3ΣC∞v
139 LiOH lithium hydroxide 1ΣC∞v
140 KOH Potassium hydroxide 1ΣC∞v
141 BeOH beryllium monohydroxide 2A'Cs
142 HBO Boron hydride oxide 1ΣC∞v
143 COH Hydroxymethylidyne   
144 HCO- formyl anion 1A'Cs
145 HNO+ Nitrosyl hydride cation 2A'Cs
146 HSO+ Sulfur Monoxide, S-protonated   
147 SOH Sulfur Hydroxide   
148 SOH+ Sulfur Monoxide, protonated   
149 H2CO Formaldehyde 1A1C2v
150 H2CO- formaldehyde anion 2A'Cs
151 H2CO- formaldehyde anion   
152 H2CO+ formaldehyde cation 2B2C2v
153 H2CS Thioformaldehyde 1A1C2v
154 H2CS- thioformaldehyde anion   
155 H2CS- thioformaldehyde anion   
156 H2O2 Hydrogen peroxide 1AC2
157 H2O2 Hydrogen peroxide 1AgC2h
158 H2OO water oxide   
159 HOSH hydrogen thioperoxide   
160 NH2OH hydroxylamine 1A'Cs
161 NH2OH+ Hydroxylamine cation   
162 NH2SH Thiohydroxylamine   
163 NH2SH Thiohydroxylamine   
164 NH3S sulfidoazane   
165 CH3OH Methyl alcohol 1A'Cs
166 SiH3OH silanol   
167 NH2OH2+ protonated hydroxylamine   
168 NH3OH+ N-protonated hydroxylamine   
169 H5O2+ Dihydroxonium ion 1AC2
170 LiF lithium fluoride 1ΣC∞v
171 LiCl lithium chloride 1ΣC∞v
172 NaF+ sodium fluoride cation 2ΣC∞v
173 LiBr Lithium Bromide 1ΣC∞v
174 LiI Lithium Iodide   
175 NaI Sodium Iodide   
176 LiF+ lithium fluoride cation 2ΠC∞v
177 CaBr Calcium monobromide   
178 AlBr Aluminum monobromide   
179 CF Fluoromethylidyne 2ΠC∞v
180 CBr Carbon monobromide 2ΠC∞v
181 GeCl+ Germanium monochloride cation   
182 SiBr Silicon monobromide 2ΠC∞v
183 SiBr+ Silicon monobromide cation   
184 NCl nitrogen monochloride 3ΣC∞v
185 PBr Phosphorus monobromide   
186 IO Iodine monoxide   
187 BrCl Bromine monochloride 1ΣC∞v
188 F2 Fluorine diatomic 1ΣgD∞h
189 F2+ flourine diatomic cation 2ΠgD∞h
190 ClF Chlorine monofluoride 1Σ+C∞v
191 ClF+ clorine monofluoride cation 2ΠC∞v
192 Cl2+ chlorine diatomic cation 2ΠgD∞h
193 BrF Bromine monofluoride 1ΣC∞v
194 IF Iodine monofluoride 1ΣC∞v
195 Br2 Bromine diatomic 1ΣgD∞h
196 Br2- bromine diatomic anion 2ΣuD∞h
197 Br2+ bromine diatomic cation 2ΠgD∞h
198 ICl Iodine monochloride 1ΣC∞v
199 IBr Iodine monobromide 1ΣC∞v
200 I2 Iodine diatomic 1ΣgD∞h
201 I2+ Iodine diatomic cation 2ΠgD∞v
202 HCF Fluoromethylene 1A'Cs
203 HCF Fluoromethylene 3A"Cs
204 HOCl hypochlorous acid 1A'Cs
205 HOCl+ hypochlorous acid cation   
206 F2H+ Fluorine, protonated 1A'Cs
207 ClFH+ Chlorine fluoride, F-protonated   
208 FClH+ Chlorine fluoride, Cl-protonated   
209 Cl2H+ Chlorine, protonated 1A'Cs
210 CH2Br bromomethyl radical   
211 CH2F fluoromethyl radical 2ACs
212 CH2F+ fluoromethyl cation   
213 CH2Cl+ chloromethyl cation   
214 CH2Cl chloromethyl radical 2A'Cs
215 CH2Cl chloromethyl radical 2B1C2v
216 NH2Cl chloramine 1A'Cs
217 CH3F+ methyl fluoride cation   
218 CH3Cl Methyl chloride 1A1C3v
219 SiH3Cl chlorosilane 1A1C1
220 CH3Br methyl bromide 1A1C3v
221 CH3I methyl iodide 1A1C3v
222 CH3ClH+ methyl chloride, protonated   
223 NH4Cl Ammonium chloride   
224 LiNe+ Lithium Neon cation   
225 C3 carbon trimer 1ΣgD∞h
226 C3 carbon trimer 1A1C2v
227 C3H4 cyclopropene 1A1C2v
228 CH3CCH propyne 1A'C3v
229 CH2CHCH3 Propene 1A'Cs
230 C3H7 n-Propyl radical 2A"C1
231 C3H8 Propane 1A1C2v
232 Si3H8 trisilane   
233 ZnCN Zinc monocyanide 2ΣC∞v
234 ZnNC Zinc isocyanide 2ΣC∞v
235 HN3+ Hydrazoic acid cation   
236 HNCNH diiminomethane 1AC2
237 HNNNH+ 1,2-Triazadienium   
238 NH2NN+ hydrazoic acid, protonated   
239 CH3CN Acetonitrile 1A1C3v
240 CH3CN- acetonitrile anion 2EC3v
241 CHNCH2 2H-Azirine   
242 CHNHCH 1H-Azirine   
243 H2CCNH Ethenimine   
244 H2CNCH methyleneaminomethylene   
245 HCCNH2 Ethynamine   
246 HCNCH2+ 2H-Azirine cation   
247 NH2CNH+ cyanamide, cn protonated   
248 NH3CN+ cyanamide, amine protonated   
249 C2H6N+ aziridine, protonated 1A1C2v
250 CH3CH2NH2 Ethylamine   
251 Na2S Sodium sulfide   
252 Na2S Sodium sulfide   
253 NaO2 Sodium superoxide   
254 NCO isocyanato radical 2ΠC∞v
255 N2O Nitrous oxide 1ΣC∞v
256 OCS Carbonyl sulfide 1ΣC∞v
257 CS2 Carbon disulfide 1ΣgD∞h
258 OCSe Carbonyl selenide 1ΣC∞v
259 SCSe Carbon sulfide selenide   
260 NSO sulfinyl amidogen   
261 SNO Nitrogen oxide sulfide   
262 S3 Sulfur trimer 1A1C2v
263 S3 Sulfur trimer   
264 SeO2 Selenium dioxide 1A1C2v
265 HCCO ketenyl radical 2ΠC∞v
266 HCCO ketenyl radical 2A"Cs
267 HNCS Isothiocyanic acid   
268 HSCN thiocyanic acid 1A'Cs
269 HOCO Hydrocarboxyl radical 1A'cis
270 HOCO Hydrocarboxyl radical 1A'trans
271 O3H+ protonated ozone 1A'Cs
272 O3H+ protonated ozone   
273 C2H2O Oxirene 1A1C2v
274 CH2CO Ketene 1A1C2v
275 CH2CS Thioketene   
276 Be(OH)2 Beryllium hydroxide   
277 Be(OH)2 Beryllium hydroxide   
278 HCOOH Formic acid   
279 CH2COH+ ketene, protonated   
280 HOCHNH hydroxymethylimine 1A'CS H all up
281 CHSNH2 thioformamide   
282 NHCHSH Methanimidothioic acid   
283 C2H4O Ethylene oxide 1A1C2v
284 C2H4O+ ethylene oxide cation   
285 CH3CHO Acetaldehyde 1A'Cs
286 CH3CHO+ acetaldehyde cation   
287 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
288 C2H4S Thiirane 1A1C2v
289 CH2CHSH Ethenethiol   
290 CH3CHS Thioacetaldehyde 1A'C1
291 NH2CHOH+ Formamide, O-protonated   
292 CH3SSH Hydrogen methyl disulfide   
293 HSCH2SH Methanedithiol   
294 C2H4OH+ ethylene oxide, protonated 1A'Cs
295 NH2CH2OH aminomethanol   
296 CH3CH2SH ethanethiol 1A'Cs
297 CH3SCH3 Dimethyl sulfide 1A1C2v
298 CH3SCH3+ dimethyl sulfide cation   
299 BrCN Cyanogen bromide 1ΣC∞v
300 ICN Cyanogen iodide 1ΣC∞v
301 CaBr2 Calcium dibromide   
302 FSN Thiazyl fluoride 1A'Cs
303 OPCl Phosphorus oxychloride   
304 INO Nitrosyl iodide 1A'Cs
305 CF2 Difluoromethylene 1A1D∞h
306 OClO- Chlorine dioxide anion 1A'Cs
307 BrOO Bromine dioxide   
308 OBrO Bromine dioxide radical 2B1C2v
309 PF2 Phosphorus difluoride   
310 SF2 sulfur difluoride 1A1C2v
311 SFCl Sulfur chloride fluoride   
312 CHF2+ difluoromethyl cation   
313 CHFCl Chlorofluoromethyl radical   
314 CHFCl+ Chlorofluoromethyl cation   
315 CHCl2+ dichloromethyl cation   
316 CHBr2 dibromomethyl radical   
317 NHF2 difluoramine   
318 NHCl2 dichloroamine   
319 SiH2F2 difluorosilane   
320 CH2Cl2 Methylene chloride 1A1C2v
321 CH2BrCl Methane, bromochloro- 1A'Cs
322 CH2FI fluoroiodomethane   
323 CH2BrI bromoiodomethane   
324 CH2I2 Diiodomethane   
325 C2H3I Vinyl iodide   
326 CH2FOH fluoromethanol   
327 C2H5I Ethyl iodide   
328 XeF2 Xenon difluoride   
329 C4 Carbon tetramer 3ΣgD∞h
330 C4 Carbon tetramer   
331 C4H2+ diacetlyene cation 2ΠgD∞h
332 C4H4 Tetrahedrane   
333 CH2CHCH2CH3 1-Butene 1AC1
334 CH3CH2CH2CH3 Butane 1AgAnti
335 As4 Arsenic tetramer 1A1Td
336 H2CNCN cyanamide, methylene   
337 HNCCNH Ethenediimine   
338 H2NCHCHNH2 diaminoethylene   
339 N(SiH3)3 trisilylamine   
340 ONNO NO dimer 1Agtrans C2H
341 ONNO NO dimer 1A1cis C2V
342 CS3-- Carbonotrithioate   
343 SO3 Sulfur trioxide 1A1'D3h
344 S4 Sulfur tetramer   
345 S4 Sulfur tetramer   
346 S4 Sulfur tetramer   
347 C3H2O Propadienal   
348 C3H2O Propadienal   
349 CH3NCO methylisocyante   
350 HOCH2CN cyanomethanol   
351 CH3NO2 Methane, nitro- 1A'Cs
352 H3AlO3 Aluminum hydroxide   
353 CH2C(OH)NH2 1-amino vinyl alchohol   
354 CH3C(OH)=NH Ethaninidic acid   
355 CH3CSNH2 Ethanethioamide   
356 CH3CH2CHO Propanal 1A'Cs
357 Li2F2 Lithium fluoride dimer   
358 CF2O+ Carbonic difluoride cation   
359 BF3+ boron trifluoride cation   
360 BCl3 Borane, trichloro- 1A1'D3h
361 CF2Cl difluorochloromethyl radical   
362 CFCl2 dichlorofluoromethyl radical   
363 CBr3 tribromomethyl radical   
364 SSCl2 Thiothionyl chloride   
365 NCl3 nitrogen trichloride 1A1C3v
366 NBr3 Nitrogen Tribromide 1A1C3v
367 NI3 Nitrogen triiodide   
368 HClO3 Chloric Acid 1A'Cs
369 HClO3 Chloric Acid 1AC1
370 SiHF3 trifluorosilane   
371 CHBrCl2 Methane, bromodichloro- 1A'Cs
372 CHBr2F dibromofluoromethane   
373 AsF3H+ Arsenic trifluoride, protonated   
374 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
375 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
376 C2H4F2 1,2-difluoroethane 1AgC2H anti
377 CH2CHCH2F Allyl Fluoride   
378 CH3CHCHF trans-1-Fluoro-1-propene   
379 CH2FCH2CH3 1-Fluoropropane   
380 CH3CHFCH3 2-Fluoropropane 1A'Cs
381 B5H9 pentaborane9   
382 C5H4 pentatetraene   
383 C5H8 Bicyclo[1.1.1]pentane   
384 C4H5N Pyrrole 1A1C2v
385 C3O2 Carbon suboxide 1ΣGD∞h
386 CHOOCHO diformyl ether   
387 C4H4Se selenophene   
388 HCOOC2H5 Ethyl formate 1A'Cs
389 C2H6O2S Dimethyl sulfone 1A1C2v
390 C4H8S Thiophene, tetrahydro- 1AC1
391 C4H10O Methyl propyl ether 1AC1
392 C4H9SH 1-Butanethiol   
393 CF3Br Bromotrifluoromethane 1A1C3v
394 CBrCl2F bromodichlorofluoromethane   
395 CBr2ClF dibromochlorofluoromethane   
396 CBr2Cl2 dibromodichloromethane 1A1C2v
397 CBr3Cl tribromochloromethane 1A1C3v
398 CI4 tetraiodomethane   
399 SF4 Sulfur tetrafluoride 1A1C2v
400 SeF4 Selenium tetrafluoride   
401 CH2ClCCCl 1,3-dichloropropyne   
402 CHCl2CCH 3,3-dichloropropyne   
403 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
404 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
405 XeF4 Xenon tetrafluoride   
406 C2H2N2O Furazan   
407 C6H6 Prismane   
408 C6H6 1,2,4,5-Hexatetraene 1AgC2h
409 C6H6 Dewar Benzene   
410 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
411 C3H2O3 vinylene carbonate   
412 C4H6O2 γ–Butyrolactone 1AC1
413 C3H6O3 1,3,5-Trioxane 1A1C1
414 C5H10O 3-Pentanone 1A1C2v
415 C4F2 difluorobutadiyne   
416 SiF5- silicon pentafluoride anion   
417 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
418 CH(CN)3 tricyanomethane   
419 C6H12O Oxepane   
420 F2CCCF2 tetrafluoroallene   
421 SF6 Sulfur Hexafluoride 1A1GOh
422 C3F6 hexafluoropropene   
423 C8H18O 1-Octanol   

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 anion h-  
5 H+ Hydrogen atom cation h+  
6 D2 Deuterium diatomic d2  
7 H2 Hydrogen diatomic h2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 HeH Helium hydride heh  
14 Li Lithium atom li  
15 Li- Lithium atom anion li-  
16 Li+ Lithium atom cation li+  
17 Na Sodium atom na  
18 Na- Sodium atom anion na-  
19 Na+ Sodium atom cation na+  
20 K Potassium atom k  
21 K- Potassium atom anion k-  
22 K+ Potassium atom cation k+  
23 Cu Copper atom cu  
24 Cu- Copper atom anion cu-  
25 Cu+ Copper atom cation cu+  
26 LiH Lithium Hydride lih  
27 LiH- lithium hydride anion lih-  
28 LiH+ lithium hydride cation lih+  
29 NaH sodium hydride nah  
30 NaH- sodium hydride anion nah-  
31 NaH+ sodium hydride cation nah+  
32 KH+ Potassium hydrogen cation kh+  
33 CuH Copper monohydride cuh  
34 Be Beryllium atom be  
35 Be- Beryllium atom anion be-  
36 Be+ Beryllium atom cation be+  
37 Mg Magnesium atom mg  
38 Mg- Magnesium atom anion mg-  
39 Mg+ Magnesium atom cation mg+  
40 Ca Calcium atom ca  
41 Ca- Calcium atom anion ca-  
42 Ca+ Calcium atom cation ca+  
43 Zn Zinc atom zn  
44 Zn- Zinc atom anion zn-  
45 Zn+ Zinc atom cation zn+  
46 BeH beryllium monohydride beh  
47 BeH- berylium monohydride anion beh-  
48 BeH+ beryllium monohydride cation beh+  
49 MgH- magnesium monohydride anion mgh-  
50 MgH+ magnesium monohydride cation mgh+  
51 CaH Calcium monohydride cah  
52 CaH+ Calcium monohydride cation cah+  
53 TiH Titanium monohydride tih  
54 ZnH Zinc monohydride znh  
55 BeH2 beryllium dihydride beh2  
56 MgH2 magnesium dihydride mgh2  
57 CaH2 Calcium Hydride cah2  
58 ZnH2 Zinc hydride znh2  
59 B Boron atom b  
60 B- Boron atom anion b-  
61 B+ Boron atom cation b+  
62 Al Aluminum atom al  
63 Al+ Aluminum atom cation al+  
64 Sc Scandium atom sc  
65 Sc+ Scandium cation sc+  
66 Ga Gallium atom ga  
67 Ga- Gallium atom anion ga-  
68 Ga+ Gallium atom cation ga+  
69 BH Boron monohydride bh  
70 BH- boron monohydride anion bh-  
71 BH+ boron monohydride cation bh+  
72 AlH aluminum monohydride alh  
73 AlH- aluminum monohydride anion alh-  
74 AlH+ aluminum monohydride cation alh+  
75 ScH Scandium monohydride sch  
76 ScH+ Scandium monohydride cation sch+  
77 GaH Gallium monohydride gah  
78 GaH+ Gallium monohydride cation gah+  
79 BH2 boron dihydride bh2  
80 BH2- boron dihydride anion bh2-  
81 BH2+ Boron dihydride cation bh2+  
82 AlH2 aluminum dihydride alh2  
83 AlH2- aluminum dihydride anion alh2-  
84 AlH2+ aluminum dihydride cation alh2+  
85 BH3 boron trihydride bh3  
86 BH3- boron trihydride anion bh3-  
87 AlH3 aluminum trihydride alh3  
88 AlH3+ aluminum trihydride cation alh3+  
89 ScH3 Scandium trihydride sch3  
90 GaH3 Gallium trihydride gah3  
91 BH4 borohydride bh4  
92 AlH4- Aluminum tetrahydride anion alh4-  
93 C- Carbon atom anion c-  
94 C+ Carbon atom cation c+  
95 Si Silicon atom si  
96 Si+ Silicon atom cation si+  
97 Ti Titanium atom ti  
98 Ti- Titanium atom anion ti-  
99 Ti+ Titanium atom cation ti+  
100 Ge Germanium atom ge  
101 Ge- Germanium anion ge-  
102 Ge+ Germanium cation ge+  
103 Sn Tin atom sn  
104 Sn+ Tin cation sn+  
105 CH Methylidyne ch  
106 CH- methylidyne anion ch-  
107 CH+ Methylidyne cation ch+  
108 SiH Silylidyne sih  
109 SiH- silicon monohydride anion sih-  
110 SiH+ silicon monohydride cation sih+  
111 GeH germylidene geh  
112 GeH+ Germaniun monohyrdide cation geh+  
113 CH2 Methylene ch2  
114 CH2+ methylene cation ch2+  
115 SiH2 silicon dihydride sih2  
116 SiH2- silicon dihydride anion sih2-  
117 SiH2+ silicon dihydride cation sih2+  
118 GeH2- germylene anion geh2-  
119 CH3 Methyl radical ch3  
120 CH3- methyl anion ch3-  
121 CH3+ methyl cation ch3+  
122 SiH3 Silyl radical sih3  
123 SiH3- Silyl anion sih3-  
124 GeH3 Germyl radical geh3  
125 GeH3+ germyl cation geh3+  
126 CD4 methane-d4 cd4  
127 CH2D2 methane-d2 ch2d2  
128 CH3D methane-d ch3d  
129 CH4 Methane ch4  
130 CH4- Methane anion ch4-  
131 CH4+ Methane cation ch4+  
132 CHD3 methane-d3 chd3  
133 SiH4 Silane sih4  
134 SiH4+ Silane cation sih4+  
135 SnH4 Stannane snh4  
136 N- Nitrogen atom anion n-  
137 N+ Nitrogen atom cation n+  
138 P- Phosphorus atom anion p-  
139 P+ Phosphorus atom cation p+  
140 V Vanadium atom v  
141 V+ Vanadium atom cation v+  
142 Sb Antimony atom sb  
143 NH Imidogen nh  
144 NH- Imidogen anion nh-  
145 NH+ imidogen cation nh+  
146 PH- phosphorus monohydride anion ph-  
147 PH+ phosphorus monohydride cation ph+  
148 AsH Arsenic monohydride ash  
149 AsH+ Arsenic monohydride cation ash+  
150 SbH Antimony monohydride sbh  
151 ND2 Amidogen-d2 nd2  
152 NH2- amino anion nh2-  
153 PH2 Phosphino radical ph2  
154 PH2- Phosphino anion ph2-  
155 PH2+ Phosphino cation ph2+  
156 AsH2 Arsenic dihydride ash2  
157 AsH2+ Arsenic dihydride cation ash2+  
158 ND3 Ammonia-d3 nd3  
159 NH3 Ammonia nh3  
160 NH3- Ammonia anion nh3-  
161 NH3+ ammonia cation nh3+  
162 AsH3 Arsine ash3  
163 AsH3+ Arsine cation ash3+  
164 SbH3 Stibine sbh3  
165 AsH4+ Arsonium ash4+  
166 NH4+ ammonium cation nh4+  
167 PH4+ phosphonium cation ph4+  
168 O- Oxygen atom anion o-  
169 O+ Oxygen atom cation o+  
170 S Sulfur atom s  
171 S- Sulfur atom anion s-  
172 S+ Sulfur atom cation s+  
173 Cr Chromium atom cr  
174 Te+ Tellurium atom cation te+  
175 DO Hydroxyl-d od  
176 OH- hydroxide anion oh-  
177 DS Mercapto-d ds  
178 HS Mercapto radical hs  
179 CrH Chromium hydride crh  
180 CrH+ Chromium hydride cation crh+  
181 TeH Telluryl radical teh  
182 D2O Deuterium oxide d2o  
183 D2S Hydrogen sulfide-d2 d2s  
184 H2S Hydrogen sulfide h2s  
185 H2S- Hydrogen sulfide anion h2s-  
186 H2S+ Hydrogen sulfide cation h2s+  
187 H2Te Hydrogen Telluride h2te  
188 H3O+ hydronium cation h3o+  
189 F- Fluorine atom anion f-  
190 F+ Fluorine atom cation f+  
191 Cl- Chlorine atom anion cl-  
192 Cl+ Chlorine atom cation cl+  
193 Mn Manganese atom mn  
194 DF Hydrofluoric acid-d df  
195 HF Hydrogen fluoride hf  
196 HF- hydrogen fluoride anion hf-  
197 HF+ hydrogen fluoride cation hf+  
198 DCl Hydrochloric acid-d dcl  
199 HCl Hydrogen chloride hcl  
200 HCl- hydrogen chloride anion hcl-  
201 H2F+ dihydrogen fluoride cation h2f+  
202 Ne Neon atom ne  
203 Ne- Neon atom anion ne-  
204 Ne+ Neon atom cation ne+  
205 Ar Argon atom ar  
206 Ar- Argon atom anion ar-  
207 Ar+ Argon atom cation ar+  
208 Fe Iron atom fe  
209 NeH neon hydrogen neh  
210 NeH+ neon hydrogen cation neh+  
211 H2Ar H2 Ar dimer h2ar  
212 Co Cobalt atom cobalt  
213 Ni Nickel atom ni  
214 Li2 Lithium diatomic li2  
215 Li2- lithium diatomic anion li2-  
216 Li2+ lithium diatomic cation li2+  
217 NaLi lithium sodium lina  
218 NaLi- lithium sodium anion lina-  
219 NaLi+ lithium sodium cation lina+  
220 LiK Lithium Potassium lik  
221 Na2 Sodium diatomic na2  
222 Na2+ sodium diatomic cation na2+  
223 NaK Sodium Potassium nak  
224 NaK+ Sodium Potassium diatomic cation nak+  
225 K2 Potassium diatomic k2  
226 Cu2 Copper diatomic cu2  
227 LiBe Lithium Beryllium libe  
228 LiMg Lithium magnesium limg  
229 NaBe Sodium Beryllium nabe  
230 NaMg Sodium Magnesium namg  
231 Be2 Beryllium diatomic be2  
232 Be2- Beryllium diatomic anion be2-  
233 Be2+ Beryllium diatomic cation be2+  
234 BeMg Beryllium Magnesium bemg  
235 Mg2 Magnesium diatomic mg2  
236 Mg2- magnesium diatomic anion mg2-  
237 Mg2+ magnesium diatomic cation mg2+  
238 Ca2 Calcium diatomic ca2  
239 LiB Lithium boride lib  
240 NaAl Sodium aluminum naal  
241 BeB Beryllium monoboride beb  
242 B2 Boron diatomic b2  
243 B2- Boron diatomic anion b2-  
244 B2+ Boron diatomic cation b2+  
245 BAl Boron Aluminum bal  
246 Al2 Aluminum diatomic al2  
247 Al2- aluminum diatomic anion al2-  
248 Al2+ aluminum diatomic cation al2+  
249 BGa Boron Gallium bga  
250 AlGa Aluminum Gallium alga  
251 Ga2 Gallium diatomic ga2  
252 LiBH4 Lithium borohydride libh4  
253 HBHHBH Diborane(4) C2V hbhhbh  
254 Al2H6 dialane al2h6  
255 Ga2H6 digallane ga2h6  
256 LiC Lithium Carbide lic  
257 BeC Beryllium Carbide bec  
258 BC boron monocarbide bc  
259 BC- boron monocarbide anion bc-  
260 BC+ boron monocarbide cation bc+  
261 AlC Aluminum carbide alc  
262 BSi Boron silicide bsi  
263 C2 Carbon diatomic c2  
264 C2- carbon diatomic anion c2-  
265 C2+ carbon diatomic cation c2+  
266 SiC silicon monocarbide sic  
267 SiC- silicon monocarbide anion sic-  
268 SiC+ silicon monocarbide cation sic+  
269 Si2 Silicon diatomic si2  
270 Si2- silcon diatomic anion si2-  
271 Si2+ silcon diatomic cation si2+  
272 GeC Germanium monocarbide gec  
273 Ge2 Germanium diatomic ge2  
274 C2H Ethynyl radical c2h  
275 C2H+ Ethynyl cation c2h+  
276 ZnCH2 Zinc methylene znch2  
277 C2H2 Acetylene c2h2  
278 CCH2 vinylidene vinylidene  
279 Si2H2 disilyne si2h2  
280 CuCH3 monomethyl copper cuch3  
281 ZnCH3 Zinc monomethyl znch3  
282 CH2BH methyleneborane ch2bh  
283 C2H3- vinyl anion c2h3-  
284 C2H4 Ethylene c2h4  
285 C2H4- Ethylene anion c2h4-  
286 C2H4+ Ethylene cation c2h4+  
287 CH3CH methylmethylene ch3ch  
288 CH2SiH2 silaethylene ch2sih2  
289 CH3BH2 methylborane ch3bh2  
290 C2H5- Ethyl anion c2h5-  
291 C2H5+ Ethyl cation c2h5+  
292 C2H6 Ethane c2h6  
293 C2H6+ ethane cation c2h6+  
294 CH3SiH3 methyl silane ch3sih3  
295 GeH3CH3 methyl germane geh3ch3  
296 C2H7+ Ethane, protonated c2h7+  
297 LiN Lithium Nitride lin  
298 LiN+ Lithium Nitride cation lin+  
299 BeN Beryllium mononitride ben  
300 BeN- Beryllium mononitride anion ben-  
301 BeN+ Beryllium mononitride cation ben+  
302 BN- boron nitride anion bn-  
303 AlN- aluminum mononitride anion aln-  
304 AlN+ aluminum mononitride cation aln+  
305 BP Boron monophosphide bp  
306 AlP Aluminum monophosphide alp  
307 GaN Gallium mononitride gan  
308 GaP Gallium monophosphide gap  
309 GaAs Gallium arsenide gaas  
310 BN boron nitride bn  
311 BN+ boron nitride cation bn+  
312 AlN Aluminum nitride aln  
313 CN- cyanide anion cn-  
314 CN+ Cyano cation cn+  
315 CP Carbon monophosphide cp  
316 CP- carbon monophosphide anion cp-  
317 CP+ carbon monophosphide cation cp+  
318 SiN Silicon nitride sin  
319 SiN- silicon mononitride anion sin-  
320 SiN+ silicon mononitride cation sin+  
321 SiP- Silicon monophosphide anion sip-  
322 SiP+ Silicon monophosphide cation sip+  
323 TiN Titanium mononitride tin  
324 N2 Nitrogen diatomic n2  
325 N2- nitrogen diatomic anion n2-  
326 N2+ diatomic nitrogen cation n2+  
327 PN Phosphorus mononitride pn  
328 PN- phosphorus nitride anion pn-  
329 PN+ phosphorus nitride cation pn+  
330 P2 Phosphorus diatomic p2  
331 P2- phosphorus diatomic anion p2-  
332 P2+ phosphorus diatomic cation p2+  
333 AsN Arsenic mononitride asn  
334 AsP Arsenic monophosphide asp  
335 SbN Antimony nitride sbn  
336 As2 Arsenic diatomic as2  
337 HNB hydrogen nitrogen boron hnb  
338 HNC hydrogen isocyanide hnc  
339 HCN- Hydrogen cyanide anion hcn-  
340 HCP Phosphaethyne hcp  
341 HCP+ Phosphaethyne cation hcp+  
342 NNH Dinitrogen monohydride nnh  
343 HPO Hydrogen phosphorus oxide hpo  
344 HPO+ Hydrogen phosphorus oxide cation hpo+  
345 CNH2 Aminomethylidyne radical cnh2  
346 CNH2+ N-protonated hydrogen isocyanide cnh2+  
347 H2CN Dihydrogen cyanide radical h2cn  
348 H2CN+ hydrocyanonium cation h2cn+  
349 HCNH methyleneazane hcnh  
350 HCNH+ N-protonated HCN hcnh+  
351 H2NN Isodiazene h2nn  
352 N2H2 (E)-diazene n2h2  
353 N2H2 (Z)-Diazene n2h2z  
354 N2H2+ trans-diazene cation n2h2+  
355 CH2PH Phosphaethene ch3p  
356 CH2NH2+ methyleneamine cation ch2nh2+  
357 N2H4 Hydrazine n2h4  
358 N2H4+ hydrazine cation n2h4+  
359 P2H4 Diphosphine p2h4  
360 CH3NH2 methyl amine ch3nh2  
361 CH3NH2+ methyl amine cation ch3nh2+  
362 CH3PH2 Methyl phosphine ch3ph2  
363 N2H5+ protonated hydrazine n2h5+  
364 BH3NH3 borane ammonia bh3nh3  
365 CH3NH3+ protonated methylamine ch3nh3+  
366 CH3PH3+ methyl phosphine, protonated ch3ph3+  
367 NH3NH3 Ammonia Dimer nh3nh3  
368 LiO lithium oxide lio  
369 LiO- lithium oxide anion lio-  
370 LiO+ lithium oxide cation lio+  
371 LiS Lithium monosulfide lis  
372 LiS+ Lithium sulfide cation lis+  
373 NaO sodium monoxide nao  
374 NaO- sodium oxide anion nao-  
375 NaO+ sodium oxide cation nao+  
376 KO Potassium monoxide ko  
377 KO+ Potassium monoxide cation ko+  
378 NaS Sodium sulfide nas  
379 CuO Copper Monoxide cuo  
380 LiSe Lithium monoselenide lise  
381 BeO beryllium oxide beo  
382 BeO- Beryllium monoxide anion beo-  
383 BeO+ Beryllium monoxide cation beo+  
384 BeS beryllium sulfide bes  
385 MgO magnesium oxide mgo  
386 MgO- magnesium oxide anion mgo-  
387 MgO+ magnesium oxide cation mgo+  
388 MgS magnesium sulfide mgs  
389 MgS- magnesium sulfide anion mgs-  
390 MgS+ magnesium sulfide cation mgs+  
391 ZnO zinc monoxide zno  
392 ZnS Zinc sulfide zns  
393 BeS- Beryllium monosulfide anion bes-  
394 BeS+ Beryllium monosulfide cation bes+  
395 BO- boron monoxide anion bo-  
396 AlO Aluminum monoxide alo  
397 AlO- Aluminum monoxide anion alo-  
398 AlO+ aluminum monoxide cation alo+  
399 BS boron sulfide bs  
400 BS- boron monosulfide anion bs-  
401 BS+ boron monosulfide cation bs+  
402 AlS Aluminum sulfide als  
403 AlS- aluminum monosulfide anion als-  
404 AlS+ aluminum monosulfide cation als+  
405 ScO Scandium monoxide sco  
406 GaO Gallium monoxide gao  
407 GaS Gallium monosulfide gas  
408 BO+ boron monoxide cation bo+  
409 CO Carbon monoxide co  
410 CO- carbon monoxide anion co-  
411 CS carbon monosulfide cs  
412 CS- carbon monosulfide anion cs-  
413 CS+ carbon monosulfide cation cs+  
414 SiO Silicon monoxide sio  
415 SiO- silicon monoxide anion sio-  
416 SiO+ silicon monoxide cation sio+  
417 SiS silicon monosulfide sis  
418 SiS- silicon monosulfide anion sis-  
419 SiS+ silicon monosulfide cation sis+  
420 TiO Titanium monoxide tio  
421 CSe Carbon monoselenide cse  
422 CSe- Carbon monoselenide anion cse-  
423 CSe+ Carbon monoselenide cation cse+  
424 GeO Germanium monoxide geo  
425 GeO+ Germanium monoxide cation geo+  
426 GeS Germanium monosulfide ges  
427 GeSe Germanium monoselenide gese  
428 NS Mononitrogen monosulfide ns  
429 NS- nitrogen sulfide anion ns-  
430 NS+ nitrogen sulfide cation ns+  
431 PO Phosphorus monoxide po  
432 PO- phosphorus monoxide anion po-  
433 PO+ phosphorus monoxide cation po+  
434 PS- phosphorus monosulfide anion ps-  
435 PS+ phosphorus monosulfide cation ps+  
436 VO Vanadium monoxide vo  
437 AsO Arsenic monoxide aso  
438 NSe Nitrogen monoselenide nse  
439 AsS Arsenic monosulfide ass  
440 PSe Phosphorus monoselenide pse  
441 AsSe Arsenic monoselenide asse  
442 O2 Oxygen diatomic o2  
443 O2- oxygen diatomic anion o2-  
444 O2-- dioxygen dianion o2--  
445 O2+ diatomic oxygen cation o2+  
446 SO Sulfur monoxide so  
447 SO- sulfur monoxide anion so-  
448 S2- sulfur diatomic anion s2-  
449 S2+ sulfur diatomic cation s2+  
450 SeO- selenium monoxide anion seo-  
451 SeO+ selenium monoxide cation seo+  
452 SeS Selenium monosulfide ses  
453 SeS- selenium monosulfide anion ses-  
454 SeS+ selenium monosulfide cation ses+  
455 TeO Tellurium monoxide teo  
456 Se2 Selenium diatomic se2  
457 Se2- selenium diatomic anion se2-  
458 Se2+ selenium diatomic cation se2+  
459 Te2 Tellurium diatomic te2  
460 NaOH sodium hydroxide naoh  
461 MgOH magnesium hydroxide mgoh  
462 CaOH Calcium monohydroxide caoh  
463 HBS hydrogen boron sulfide hbs  
464 COH+ Carbon Monoxide, protonated coh+  
465 HCO Formyl radical hco  
466 HCO+ Formyl cation hco+  
467 HCS Thioformyl radical hcs  
468 HCS- Thioformyl anion hcs-  
469 HCS+ Thioformyl cation hcs+  
470 HNO Nitrosyl hydride hno  
471 HNO- Nitrosyl hydride anion hno-  
472 NOH Hydroxyimidogen noh  
473 NOH+ O-protonated nitric oxide noh+  
474 HNS Sulfur imide hns  
475 HNS- Sulfur imide anion hns-  
476 HO2 Hydroperoxy radical ho2  
477 HO2- Hydroperoxy anion ho2-  
478 HO2+ Hydroperoxy cation ho2+  
479 HS2 Thiosulfeno radical hs2  
480 HOCH hydroxycarbene hoch  
481 H2CS+ thioformaldehyde cation h2cs+  
482 H2CSe Selenoformaldehyde h2cse  
483 H2NO nitroxide h2no  
484 H2O2+ Hydrogen peroxide cation h2o2+  
485 H2S2 Disulfane h2s2  
486 H2S2+ hydrogen disulfide cation h2s2+  
487 H2Se2 hydrogen diselenide h2se2  
488 CH2OH Hydroxymethyl radical ch2oh  
489 CH2OH+ hydroxymethyl cation ch2oh+  
490 CH3O Methoxy radical ch3o  
491 CH3O- methoxy anion ch3o-  
492 CH3O+ Methoxy cation ch3o+  
493 CH3S thiomethoxy ch3s  
494 H2CSH+ Thioformaldehyde, protonated h2csh+  
495 NH3O Ammonia Oxide nh3o  
496 H2POH Phosphinous acid h2poh  
497 H3PO Phosphine oxide h3po  
498 H3O2+ hydrogen peroxide, protonated h3o2+  
499 CH3OH- Methyl alcohol anion ch3oh-  
500 CH3OH+ Methyl alcohol cation ch3oh+  
501 CH3SH Methanethiol ch3sh  
502 CH3SH+ Methanethiol cation ch3sh+  
503 CH3SeH Methane selenol ch3seh  
504 H2OH2O water dimer h2oh2o  
505 CH3OH2+ Methanol, protonated ch3oh2+  
506 CH3SH2+ protonated methylsulfide ch3sh2+  
507 H2ONH3 Water Ammonia Dimer h2onh3  
508 LiCl- lithium chloride anion licl-  
509 LiCl+ lithium chloride cation licl+  
510 NaF sodium fluoride naf  
511 NaF- sodium fluoride anion naf-  
512 KF Potassium Fluoride kf  
513 NaCl Sodium Chloride nacl  
514 NaCl- sodium chloride anion nacl-  
515 NaCl+ sodium chloride cation nacl+  
516 KCl Potassium Chloride kcl  
517 CuF Copper monofluoride cuf  
518 LiBr- lithium bromide anion libr-  
519 LiBr+ lithium bromide cation libr+  
520 CuCl Copper monochloride cucl  
521 NaBr Sodium Bromide nabr  
522 NaBr- sodium bromide anion nabr-  
523 NaBr+ sodium bromide cation nabr+  
524 KBr Potassium Bromide kbr  
525 KI Potassium Iodide ki  
526 LiF- lithium fluoride anion lif-  
527 BeF Beryllium monofluoride bef  
528 BeF- Beryllium monofluoride anion bef-  
529 BeF+ Beryllium monofluoride cation bef+  
530 BeCl beryllium monochloride becl  
531 MgF Magnesium monofluoride mgf  
532 MgF- magnesium fluoride anion mgf-  
533 MgF+ magnesium fluoride cation mgf+  
534 CaF Calcium monofluoride caf  
535 MgCl magnesium monochloride mgcl  
536 MgCl- magnesium monochloride anion mgcl-  
537 MgCl+ magnesium monochloride cation mgcl+  
538 CaCl calcium monochloride cacl  
539 TiCl Titanium Monochloride ticl  
540 ZnF Zinc monofluoride znf  
541 ZnF- Zinc monofluoride anion znf-  
542 ZnF+ Zinc monofluoride cation znf+  
543 ZnCl Zinc monochloride zncl  
544 BeCl- beryllium monochloride anion becl-  
545 BeCl+ beryllium monochloride cation becl+  
546 BF Boron monofluoride bf  
547 BF- Boron monofluoride anion bf-  
548 BF+ Boron monofluoride cation bf+  
549 AlF Aluminum monofluoride alf  
550 AlF- Aluminum monofluoride anion alf-  
551 AlF+ Aluminum monofluoride cation alf+  
552 BCl boron monochloride bcl  
553 BCl- boron monochloride anion bcl-  
554 BCl+ boron monochloride cation bcl+  
555 AlCl Aluminum monochloride alcl  
556 AlCl- aluminum monochloride anion alcl-  
557 AlCl+ aluminum monochloride cation alcl+  
558 ScF Scandium monofluoride scf  
559 BBr Boron monobromide bbr  
560 GaF Gallium monofluoride gaf  
561 GaF+ Gallium monofluoride cation gaf+  
562 GaCl Gallium monochloride gacl  
563 GaCl+ Gallium monochloride cation gacl+  
564 AlI Aluminum monoiodide ali  
565 GaBr Gallium monobromide gabr  
566 CF- carbon monofluoride anion cf-  
567 CF+ carbon monofluoride cation cf+  
568 CCl carbon monochloride ccl  
569 CCl- carbon monochloride anion ccl-  
570 CCl+ carbon monochloride cation ccl+  
571 SiF silicon monofluoride sif  
572 SiF- silicon monofluoride anion sif-  
573 SiF+ silicon monofluoride cation sif+  
574 SiCl Clorosilylidyne sicl  
575 SiCl- silicon monochloride anion sicl-  
576 SiCl+ silicon monochloride cation sicl+  
577 GeF Germanium monofluoride gef  
578 GeF+ Germanium monofluoride cation gef+  
579 GeCl Germanium monochloride gecl  
580 NF nitrogen fluoride nf  
581 NF- nitrogen monofluorine anion nf-  
582 NF+ nitrogen monofluoirde cation nf+  
583 NCl- nitrogen monochloride anion ncl-  
584 NCl+ nitrogen monochloride cation ncl+  
585 PF phosphorus monofluoride pf  
586 PF- phosphorus monofluoride anion pf-  
587 PF+ phosphorus monofluoride cation pf+  
588 PCl phosphorus chloride pcl  
589 PCl- phosphorus monochloride anion pcl-  
590 PCl+ phosphorus monochloride cation pcl+  
591 AsF Arsenic monofluoride asf  
592 NBr nitrogen monobromide nbr  
593 AsCl Arsenic monochloride ascl  
594 SbF Antimony monofluoride sbf  
595 SbCl Antimony monochloride sbcl  
596 FO Oxygen monofluoride fo  
597 FO- flourine oxide anion fo-  
598 FO+ fluorine monoxide cation fo+  
599 ClO Monochlorine monoxide clo  
600 ClO- chlorine monoxide anion clo-  
601 ClO+ chlorine monoxide cation clo+  
602 SF Monosulfur monofluoride sf  
603 SF- sulfur monofluoride anion sf-  
604 SF+ sulfur monofluoride cation sf+  
605 SCl sulfur monochloride scl  
606 SCl- sulfur monochloride anion scl-  
607 SCl+ sulfur monochloride cation scl+  
608 BrO Bromine monoxide bro  
609 BrO- Bromine monoxide anion bro-  
610 BrO+ Bromine monoxide cation bro+  
611 SeF Selenium monofluoride sef  
612 SBr Sulfur monobromide radical sbr  
613 SBr+ Sulfur monobromide cation sbr+  
614 SeCl Selenium monochloride secl  
615 SeBr Selenium monobromide sebr  
616 F2- flourine diatomic anion f2-  
617 ClF- clorine monofluoride anion clf-  
618 Cl2 Chlorine diatomic cl2  
619 Cl2- chlorine diatomic anion cl2-  
620 BrF- bromine fluoride anion brf-  
621 BrF+ bromine fluoride cation brf+  
622 BrCl- bromine chloride anion brcl-  
623 BrCl+ bromine chloride cation brcl+  
624 HCCl Chloromethylene hccl  
625 HSiF fluorosilylene hsif  
626 HSiCl Chlorosilylene hsicl  
627 HSiBr monobromosilylene hsibr  
628 CHBr bromomethylene chbr  
629 HOF Hypofluorous acid hfo  
630 DOCl Hypochlorous acid-d docl  
631 HOBr Hypobromous acid hobr  
632 HOBr+ Hypobromous acid cation hobr+  
633 HOI Hypoiodous acid hoi  
634 FHF Hydrogen difluoride fhf  
635 FHF- Hydrogen difluoride anion fhf-  
636 NH2F monofluoroamine nh2f  
637 H2F2 Hydrogen fluoride dimer h2f2  
638 CD3F methylfluoride-d3 cd3f  
639 CH3F Methyl fluoride ch3f  
640 CD3Cl methyl chloride d3 cd3cl  
641 CH3Cl+ Methyl chloride cation ch3cl+  
642 SiH3F monofluorosilane sih3f  
643 GeH3F monofluorogermane geh3f  
644 GeH3Cl monochlorogermane geh3cl  
645 SiH3Br bromosilane sih3br  
646 SiH3I Silyl Iodide sih3i  
647 NH3Cl+ protonated monochloroammonia nh3cl+  
648 Ne2 Neon diatomic ne2  
649 Ne2+ Neon diatomic cation ne2+  
650 Ar2 Argon diatomic ar2  
651 Ar2+ Argon diatomic cation ar2+  
652 Li3 Lithium trimer li3  
653 Li3+ Lithium trimer cation li3+  
654 C3+ carbon trimer cation c3+  
655 SiC2 Silicon dicarbide sic2  
656 C3H3 cyclopropenyl radical cpr  
657 C3H3 Propargyl radical propargyl  
658 C3H3- Propargyl anion c3h3-  
659 C3H3+ cyclopropenyl cation cpr+  
660 C3H3+ Propargyl cation c3h3+  
661 CH2CCH2 allene allene  
662 C3H5 Allyl radical allyl  
663 C3H5+ Allyl cation allyl+  
664 CH3CHCH 1-propenyl radical ch3chch  
665 Zn(CH3)2 dimethyl zinc dmz  
666 C3H6 Cyclopropane c3h6  
667 C3H7+ cyclopropane, protonated c3h7+  
668 CH3CHCH3 Isopropyl radical isopropyl  
669 CH3CHCH3+ Isopropyl cation prop2yl+  
670 SiH2(CH3)2 dimethylsilane dms  
671 LiCN lithium cyanide licn  
672 NaCN Sodium Cyanide nacn  
673 KCN Potassium cyanide kcn  
674 CuCN Copper cyanide cucn  
675 AlCN Aluminum monocyanide alcn  
676 AlNC Aluminum isocyanide alnc  
677 CN2 3H-Diazirin-3-ylidene cn2  
678 CNN Diazocarbene cnn  
679 NCN Cyanoimidogen ncn  
680 N3 azide radical n3  
681 N3- azide anion n3-  
682 N3+ azide cation n3+  
683 HCCN cyanomethylene hccn  
684 HCNN diazomethyl radical hcnn  
685 HN3 hydrogen azide hn3  
686 CH2N2 diazirine ch2n2  
687 CH2NN diazomethane ch2nn  
688 NH2CN cyanamide cyanamide  
689 CH3CN+ Acetonitrile cation ch3cn+  
690 CH3NC methyl isocyanide ch3nc  
691 HNCNH2+ diiminomethane, protonated hncnh2+  
692 NCNH3+ Cyanamide, protonated ncnh3+  
693 CH2CHNH vinylazine ch2chnh  
694 CH3CHN methylmethaniminyl radical ch3chn  
695 NHCHNH2 aminomethanimine cn2h4  
696 C2H5N Aziridine c2h5n  
697 CH2CHNH2 aminoethene aminoethene  
698 CH2NCH3 N-methylmethanimine nmm  
699 CH3CHNH ethanimine ethanimine  
700 NH2BHNH2 diaminoborane nh2bhnh2  
701 C2H5NH+ Protonated Aziridine c2h5nh+  
702 NH2CH2NH2 diaminomethane nh2ch2nh2  
703 CH3NHCH3 Dimethylamine ch3nhch3  
704 CH3PHCH3 dimethylphosphine ch3phch3  
705 NH2CH2NH3+ diaminoethane, protonated pdam  
706 (CH3)2NH2+ dimethylammonium cation dmam  
707 CH3CH2NH3+ ethylamine, protonated pea  
708 Li2O dilithium oxide li2o  
709 Li2O+ dilithium oxide cation li2o+  
710 Li2S dilithium sulfide li2s  
711 Na2O disodium monoxide na2o  
712 LiO2 Lithium dioxide lio2  
713 CCO Dicarbon monoxide cco  
714 CNO- fulminate cno-  
715 NCO- cyanate nco-  
716 SCN thiocyanato radical scn  
717 SCN- thiocyanide anion scn-  
718 BO2 Boron dioxide bo2  
719 BO2- Boron dioxide anion bo2-  
720 BO2+ Boron dioxide cation bo2+  
721 N2O- Nitrous oxide anion n2o-  
722 N2O+ Nitrous oxide cation n2o+  
723 NNS Nitrogen sulfide nns  
724 PPO Phosphorus oxide phosphide ppo  
725 CO2 Carbon dioxide co2  
726 CO2- Carbon dioxide anion co2-  
727 CO2+ Carbon dioxide cation co2+  
728 OCS+ Carbonyl sulfide cation cos+  
729 SiO2 silicon dioxide sio2  
730 CS2- Carbon disulfide anion cs2-  
731 CS2+ Carbon disulfide cation cs2+  
732 TiO2 Titanium dioxide tio2  
733 SiS2 Silicon disulfide sis2  
734 GeO2 Germanium dioxide geo2  
735 GeS2 Germanium disulfide ges2  
736 CSe2 Carbon diselenide cse2  
737 SCTe Carbon sulfide Telluride scte  
738 NO2 Nitrogen dioxide no2  
739 NO2- Nitrogen dioxide anion no2-  
740 NO2+ Nitrogen dioxide cation no2+  
741 PO2 Phosphorus dioxide po2  
742 PO2- Phosphorus dioxide anion po2-  
743 PO2+ Phosphorus dioxide cation po2+  
744 AsO2 Aresenic dioxide aso2  
745 O3 Ozone o3  
746 O3- Ozone anion o3-  
747 O3+ Ozone cation o3+  
748 SO2 Sulfur dioxide so2  
749 SO2- Sulfur dioxide anion so2-  
750 SO2+ Sulfur dioxide cation so2+  
751 SSO Disulfur monoxide sso  
752 S3- Sulfur trimer anion s3-  
753 S3+ Sulfur trimer cation s3+  
754 SeO2+ Selenium dioxide cation seo2+  
755 TeO2 Tellurium Dioxide teo2  
756 CS2H+ Carbon disulfide, protonated cs2h+  
757 HCNO fulminic acid hcno  
758 HNCO Isocyanic acid hnco  
759 HOCN cyanic acid hocn  
760 HCO2- formate anion hco2-  
761 HNNO nitrosoazane hnno  
762 HNNO+ Nitrous oxide, N-protonated hnno+  
763 NNOH+ Nitrous Oxide, O-protonated nnoh+  
764 HCOO formate neutral radical hcoo  
765 HOCO+ Hydrocarboxyl cation hoco+  
766 HNO2 Nitrous acid hno2  
767 HNO2+ nitrous acid cation hno2+  
768 SO2H+ protonated sulfur dioxide so2h+  
769 CH2CO+ Ketene cation ch2co+  
770 HCCOH ethynol hccoh  
771 Mg(OH)2 Magnesium dihydroxide h2mgo2  
772 NH2NO Nitrosamide nh2no  
773 CH2O2 Dioxirane diox  
774 H2COO Dioxymethyl radical h2coo  
775 H2COO+ dioxymethyl cation h2coo+  
776 H2O3 Hydrogen trioxide h2o3  
777 HSSSH trisulfane hsssh  
778 NaOCH3 Sodium methoxide naoch3  
779 CH2BOH hydroxy(methylene)borane ch2boh  
780 BH3CO Borane carbonyl bh3co  
781 CH3BO Borane, methyloxo- ch3bo  
782 CH2CHO Vinyloxy radical ch2cho  
783 CH3CO Acetyl radical ch3co  
784 CH3CO- Acetyl anion ch3co-  
785 CH3CO+ acetyl cation ch3co+  
786 CH2NOH formaldoxime ch2noh  
787 CH3NO nitrosomethane ch3no  
788 CHONH2 formamide formamide  
789 CNOH3 1,2-oxaziridine cnoh3  
790 CH2OOH CH2OOH radical ch2ooh  
791 CH3OO methylperoxy radical ch3oo  
792 CH3OO- methylperoxy anion ch3oo-  
793 CH3OO+ methylperoxy cation ch3oo+  
794 CH2CHOH ethenol ch2choh  
795 H2CONH2+ protonated formamide h2conh2+  
796 NH3CHO+ Formamide, N-Protonated nh3cho+  
797 CH2(OH)2 methanediol ch2o2h2  
798 CH3OOH Methyl peroxide ch3ooh  
799 H2OH2CO water formaldehyde dimer h2oh2co  
800 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
801 CH3CH2O Ethoxy radical ethoxy  
802 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
803 CH3CHOH+ acetaldehyde, protonated ch3choh+  
804 CH3OCH2 methoxymethyl radical ch3och2  
805 CH3CH2OH Ethanol etoh  
806 CH3OCH3 Dimethyl ether meome  
807 CH3SeCH3 dimethylselenide dmse  
808 CH3OHH2O methanol water dimer ch3ohh2o  
809 H2OCH3OH water methanol dimer h2och3oh  
810 CuF2 Copper difluoride cuf2  
811 ZnF2 Zinc difluoride znf2  
812 CNF iso cyanogen fluoride cnf  
813 FCN Cyanogen fluoride fcn  
814 ClCN chlorocyanogen clcn  
815 FBO Boron monofluoride monoxide fbo  
816 BeF2 Beryllium fluoride bef2  
817 MgF2 Magnesium fluoride mgf2  
818 BeCl2 Beryllium chloride becl2  
819 MgCl2 Magnesium dichloride mgcl2  
820 CaCl2 Calcium Chloride cacl2  
821 ZnCl2 Zinc dichloride zncl2  
822 BeBr2 Beryllium bromide bebr2  
823 CaF2 Calcium difluoride caf2  
824 FCO Carbonyl fluoride fco  
825 FCO+ Carbonyl fluoride cation fco+  
826 ClCO carbonyl monochloride clco  
827 BF2 Boron difluoride radical bf2  
828 FNO Nitrosyl fluoride fno  
829 ClNO Nitrosyl chloride clno  
830 FNS Thionitrosyl fluoride fns  
831 BrNO Nitrosyl bromide brno  
832 CF2- Difluoromethylene anion cf2-  
833 CF2+ Difluoromethylene cation cf2+  
834 CFCl chlorofluoromethylene cfcl  
835 SiF2 Silicon difluoride sif2  
836 SiF2+ Silicon difluoride cation sif2+  
837 CCl2 dichloromethylene ccl2  
838 CCl2- dichloromethylene anion ccl2-  
839 CCl2+ dichloromethylene cation ccl2+  
840 SiCl2 Dichlorosilylene sicl2  
841 GeF2 Germanium difluoride gef2  
842 GeCl2 Germanium dichloride gecl2  
843 CBr2 dibromomethylene cbr2  
844 FOO Dioxygen monofluoride radical foo  
845 FOO+ Fluorine dioxide cation foo+  
846 ClOO chloroperoxy radical cloo  
847 ClOO+ chloroperoxy cation cloo+  
848 OClO Chlorine dioxide oclo  
849 OClO+ Chlorine dioxide cation oclo+  
850 ClSO Sulfur chloride oxide clso  
851 ClS2 Sulfur chloride cls2  
852 NF2 Difluoroamino radical nf2  
853 NF2+ Difluoroamino cation nf2+  
854 PF2+ Phosphorus difluoride cation pf2+  
855 FClO chlorosyl fluoride fclo  
856 F2O Difluorine monoxide f2o  
857 ClOF Chlorine hypofluorite clof  
858 SF2- sulfur difluoride anion sf2-  
859 SF2+ sulfur difluoride cation sf2+  
860 Cl2O Dichlorine monoxide cl2o  
861 SCl2 Sulfur dichloride scl2  
862 SeF2 Selenium difluoride sef2  
863 BrOCl Bromine hypochlorite brocl  
864 SeCl2 Selenium Dichloride secl2  
865 SBr2 Sulfur dibromide sbr2  
866 SeBr2 Selenium dibromide sebr2  
867 BrOBr Bromine oxide brobr  
868 F3- trifluoride anion f3-  
869 Cl3- trichloride anion cl3-  
870 Br3- tribromide anion br3-  
871 I3- triiodide i3-  
872 HCCF Fluoroacetylene hccf  
873 HCCF+ fluoroacetylene cation hccf+  
874 HCCCl Chloroacetylene hcccl  
875 HCCBr bromoacetylene hccbr  
876 HFCO formyl fluoride hfco  
877 HFCO+ formyl fluoride cation hfco+  
878 COHCl Formyl chloride cohcl  
879 COHBr Formyl bromide cohbr  
880 BHF2 Difluoroborane bhf2  
881 BHCl2 Borane, dichloro- bhcl2  
882 CHCl2 dichloromethyl radical chcl2  
883 CHF2 difluoromethyl radical chf2  
884 HOClO Chlorous acid hoclo  
885 CH2F2 Methane, difluoro- ch2f2  
886 CH2FCl fluorochloromethane ch2fcl  
887 CH2BrF Methane, bromofluoro- ch2fbr  
888 CH2Br2 dibromomethane ch2br2  
889 CH2ClI chloroiodomethane ch2cli  
890 SiH2Cl2 dichlorosilane sih2cl2  
891 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
892 CH2CHF Ethene, fluoro- ch2chf  
893 CH2CHF+ fluoroethene cation ch2chf+  
894 C2H3Cl Ethene, chloro- ch2chcl  
895 C2H3Br vinyl bromide c2h3br  
896 CH3OCl methyl hypochlorite ch3ocl  
897 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
898 CHClCH3 1-chloroethyl radical chclch3  
899 C2H5F fluoroethane c2h5f  
900 CH3CH2Cl Ethyl chloride c2h5cl  
901 CH3SiFH2 fluoromethylsilane ch3sifh2  
902 C2H5Br Ethyl bromide etbr  
903 KrF2 Krypton difluoride krf2  
904 B4H10 Tetraborane(10) b4h10  
905 C4+ Carbon tetramer cation c4+  
906 C4H2 Diacetylene c4h2  
907 C2H3CCH 1-Buten-3-yne c2h3cch  
908 C4H4 cyclobutadiene cbd  
909 H2CCCCH2 Butatriene h2cccch2  
910 C4H6 1-Methylcyclopropene c3100047  
911 C4H6 Cyclobutene c822355  
912 C4H6 Methylenecyclopropane c6142730  
913 CH2CCHCH3 1,2-Butadiene butad12  
914 CH2CHCHCH2 1,3-Butadiene c106990  
915 CH3CCCH3 2-Butyne c503173  
916 CHCCH2CH3 1-Butyne c107006  
917 CH3CHCHCH2 methylallyl radical c4h7  
918 C4H8 methylcyclopropane mcp  
919 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
920 CH3CHCHCH3 2-Butene, (E)- bute2e  
921 CH3CHCHCH3 2-Butene, (Z)- bute2z  
922 B(CH3)3 trimethylborane bme3  
923 Al(CH3)3 trimethyl aluminum tma  
924 C(CH3)3 Tert-butyl radical tbutyl  
925 CH2CH(CH3)2 Isobutyl radical isobutyl  
926 CH3CHCH2CH3 2-Butyl radical butyl2  
927 CH3CH(CH3)CH3 Isobutane isobutane  
928 SiH(CH3)3 trimethylsilane trimsi  
929 Li3N trilithium nitride li3n  
930 C2N2 Cyanogen c2n2  
931 C2N2+ Cyanogen cation c2n2+  
932 P4 Phosphorus tetramer p4  
933 HCCCN Cyanoacetylene hcccn  
934 HCCCN+ Cyanoacetylene cation hcccn+  
935 C3H3N acrylonitrile ch2chcn  
936 C3H3N+ acrylonitrile cation ch2chcn+  
937 CH3N3 methyl azide ch3n3  
938 NH2CCNH2 Diaminoacetylene daa  
939 NH2CH2CN Aminoacetonitrile aan  
940 CH3NHN2+ methyl azide, protonated ch3nhn2+  
941 C2H5CN ethyl cyanide c2h5cn  
942 CH5N3 Guanidine guanidine  
943 C4H6 Bicyclo[1.1.0]butane c157335  
944 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
945 CH6N3+ guanidinium ch6n3+  
946 C3H7N Cyclopropylamine cpram  
947 CH7N3 triaminomethane tam  
948 C3H7N Azetidine azet  
949 C4H8 cyclobutane cbutane  
950 C2H8N2 Ethylenediamine ethdiam  
951 CH3NHNHCH3 dimethyl hydrazine dmh  
952 CH3CH(NH2)CH3 2-Propanamine pram2  
953 N(CH3)3 Trimethylamine trimeam  
954 NH2CH2CH2CH3 1-Propanamine pram1  
955 P(CH3)3 trimethylphosphine tmp  
956 As(CH3)3 trimethyl arsine tmas  
957 (CH3)3NH+ protonated trimethyl amine ptma  
958 C3H7NH3+ n-propylamine, protonated c3h7nh2  
959 Li2O2 dilithium dioxide li2o2  
960 Na2O2 disodium dioxide na2o2  
961 K2O2 dipotassium dioxide k2o2  
962 C3O Tricarbon monoxide c3o  
963 B2O2 Diboron dioxide b2o2  
964 S2N2 Disulfur dinitride s2n2  
965 CO3 Carbon trioxide co3  
966 CO3-- carbonate co3--  
967 NO3 Nitrogen trioxide no3  
968 NO3- nitrate anion no3-  
969 NO3+ nitrogen trioxide cation no3+  
970 SO3- Sulfur trioxide anion so3-  
971 SO3-- Sulfate dianion so3--  
972 SO3+ Sulfur trioxide cation so3+  
973 SeO3 selenium trioxide seo3  
974 TeO3 Tellurium trioxide teo3  
975 HCO3- bicarbonate anion hco3-  
976 HNO3 Nitric acid hno3  
977 HSO3 Hydroxysulfonyl radical hso3  
978 NH2NO2 nitramide nh2no2  
979 C2H2CO cyclopropenone c2h2co  
980 HCCCHO 2-propynal hcccho  
981 C2H2O2 Ethanedial c2h2o2  
982 C2H2O2+ Ethanedial cation c2h2o2+  
983 H2CO3 Carbonic acid h2co3  
984 H2CS3 thiocarbonic acid h2cs3  
985 H2NO3+ Nitric Acid, Protonated h2no3+  
986 H2SO3 Sulfurous acid h2so3  
987 C2H3NO Nitrosoethylene c2h3no  
988 CH3COO- acetate anion ch3coo-  
989 CH3ONO Methyl nitrite ch3ono  
990 NH2COOH Carbamic acid nh2cooh  
991 H3BO3 Boric acid h3bo3  
992 H3CO3+ carbonic acid, protonated h3co3+  
993 C3H4O 2-Propyn-1-ol c107197  
994 C3H4O allenol c9000071  
995 C3H4O Cyclopropanone cpone  
996 C3H4O Methylketene c6004440  
997 CH2CHCHO Acrolein c3h4o  
998 NH2CONH2 Urea urea  
999 NH2CONH2+ Urea cation urea+  
1000 NH2CSNH2 Thiourea thiourea  
1001 C2H4O2 1,3-dioxetane c2h4o2  
1002 CH3COOH Acetic acid ch3cooh  
1003 CH3OCHO methyl formate ch3ocho  
1004 CHOCH2OH hydroxy acetaldehyde haa  
1005 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1006 NH3COOH+ protonated Carbamic acid nh3cooh+  
1007 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1008 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1009 HCOOHH2O Formic acid water dimer hcoohh2o  
1010 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1011 CH3COCH2 Acetonyl radical ch3coch2  
1012 CH3CHNOH Acetaldoxime acetaldoxime  
1013 CH3CONH2 Acetamide acetamide  
1014 HCONHCH3 N-methylformamide nmfa  
1015 CH5N2O+ urea, N-protonated ch4n2o+  
1016 H2NCOHNH2+ urea, protonated ureah+  
1017 C2H5OO ethylperoxy radical c2h5oo  
1018 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1019 C3H5OH Cyclopropanol cproh  
1020 C3H6O 2-Propen-1-ol c107186  
1021 C3H6O Acetone enol enol  
1022 C3H6O Oxetane oxetane  
1023 C3H6O Propylene oxide prox  
1024 CH3COCH3 Acetone acetone  
1025 CH3COCH3- acetone anion ch3coch3-  
1026 C3H6S Thietane thietane  
1027 C3H6S Thiirane, methyl- methiirane  
1028 CH3CSCH3 Thioacetone ch3csch3  
1029 C2H6O2 1,2-Ethanediol ethdiol  
1030 CH3OOCH3 dimethylperoxide dmp  
1031 CH3SOCH3 Dimethyl sulfoxide dmso  
1032 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1033 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1034 CH3COHCH3+ acetone, protonated acetoneh+  
1035 HOCH2CH2NH2 monoethanolamine mea  
1036 C3H7OH 1-Propanol proh  
1037 CH3CHOHCH3 Isopropyl alcohol isoproh  
1038 CH3OC2H5 Ethane, methoxy- etome  
1039 C3H7SH 1-Propanethiol prsh  
1040 CH3CHSHCH3 2-Propanethiol isoprsh  
1041 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1042 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1043 Na2F2 Sodium Fluoride Dimer na2f2  
1044 Na2Cl2 Disodium dichloride na2cl2  
1045 C2F2 difluoroacetylene c2f2  
1046 C2Cl2 dichloroacetylene c2cl2  
1047 C2Cl2+ dichloroacetylene cation c2cl2+  
1048 FNO2 Nitryl fluoride fno2  
1049 FONO Nitrosyl hypofluorite fono  
1050 ClNO2 Nitryl chloride clno2  
1051 ClONO chlorine nitrite clono  
1052 BrONO Bromine nitrite brono  
1053 N2F2 (Z)-Difluorodiazene n2f2_z  
1054 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1055 CF2O Carbonic difluoride f2co  
1056 COFCl Carbonic chloride fluoride cofcl  
1057 CCl2O Phosgene cl2co  
1058 Cl2CS Thiophosgene cl2cs  
1059 COBr2 Carbonic dibromide cobr2  
1060 BF3 Borane, trifluoro- bf3  
1061 BF3- Borane, trifluoro- anion bf3-  
1062 AlF3 Aluminum trifluoride alf3  
1063 BClF2 Chlorodifluoroborane bclf2  
1064 AlF2Cl Aluminum chloride difluoride alclf2  
1065 ScF3 Scandium trifluoride ScF3  
1066 AlFCl2 Aluminum dichloride fluoride alcl2f  
1067 BCl3+ Boron Trichloride cation bcl3+  
1068 GaF3 Gallium trifluoride gaf3  
1069 AlCl3 Aluminum trichloride alcl3  
1070 GaCl3 Gallium trichloride gacl3  
1071 BBr3 Boron tribromide bbr3  
1072 AlBr3 Aluminum Bromide albr3  
1073 ClO3 Chlorine trioxide clo3  
1074 ClO3- chlorate anion clo3-  
1075 BrO3- Bromate anion bro3-  
1076 CF3 Trifluoromethyl radical cf3  
1077 CF3- Trifluoromethyl anion cf3-  
1078 CF3+ Trifluoromethyl cation cf3+  
1079 SiF3 Silicon trifluoride radical sif3  
1080 SiF3+ Silicon trifluoride cation sif3+  
1081 CCl3 Trichloromethyl radical ccl3  
1082 CCl3- Trichloromethyl anion ccl3-  
1083 CCl3+ Trichloromethyl cation ccl3+  
1084 SiCl3 trichlorosilyl radical sicl3  
1085 SiCl3+ trichlorosilyl cation sicl3+  
1086 FOOF Perfluoroperoxide foof  
1087 ClO2F Chloryl fluoride clo2f  
1088 F2SO Thionyl Fluoride f2so  
1089 ClOOCl Dichlorine dioxide cloocl  
1090 FSSF Difluorodisulfane fssf  
1091 S2F2 Thio-thionyl fluoride s2f2  
1092 SOCl2 thionyl chloride socl2  
1093 SeOCl2 selenium oxychloride seocl2  
1094 NF3 Nitrogen trifluoride nf3  
1095 NF3- Nitrogen trifluoride anion nf3-  
1096 NF3+ Nitrogen trifluoride cation nf3+  
1097 PF3 Phosphorus trifluoride pf3  
1098 AsF3 Arsenic trifluoride asf3  
1099 PCl3 Phosphorus trichloride pcl3  
1100 SbF3 Antimony Trifluoride sbf3  
1101 AsCl3 Arsenous trichloride ascl3  
1102 SbCl3 Antimony Trichloride sbcl3  
1103 PBr3 Phosphorus tribromide pbr3  
1104 AsBr3 Arsenic tribromide asbr3  
1105 PI3 Phosphorus triiodide pi3  
1106 ClSSCl Disulfur dichloride s2cl2  
1107 SF3 Sulfur trifluoride sf3  
1108 ClF3 Chlorine trifluoride clf3  
1109 BrF3 Bromine trifluoride brf3  
1110 IF3 iodone trifluoride if3  
1111 CHF3 Methane, trifluoro- chf3  
1112 CHF2Cl difluorochloromethane chf2cl  
1113 CHFCl2 fluorodichloromethane chfcl2  
1114 CDCl3 trichloromethane-d cdcl3  
1115 CHCl3 Chloroform chcl3  
1116 CHBrF2 Methane, bromodifluoro- chbrf2  
1117 SiHCl3 Trichlorosilane sihcl3  
1118 CHFClBr fluorochlorobromomethane chfclbr  
1119 CHF2I difluoroiodomethane chf2i  
1120 CHFClI fluorochloroiodomethane chfcli  
1121 CHCl2I dichloroiodomethane chcl2i  
1122 CHClBr2 Methane, dibromochloro- chclbr2  
1123 CHBr3 bromoform chbr3  
1124 CHI3 Iodoform chi3  
1125 NF3H+ protonated nitrogen trifluoride nf3h+  
1126 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1127 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1128 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1129 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1130 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1131 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1132 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1133 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1134 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1135 C2H2Br2 1,1-dibromoethene c2h2br2  
1136 CH2FCHO Fluoroacetaldehyde ch2fcho  
1137 CH3COF Acetyl fluoride ch3cof  
1138 CH2ClCHO chloroacetaldehyde ch2clcho  
1139 CH3COCl Acetyl Chloride ch3cocl  
1140 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1141 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1142 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1143 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1144 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1145 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1146 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1147 CH2CFCH3 2-fluoropropene 2fpro  
1148 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1149 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1150 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1151 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1152 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1153 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1154 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1155 CH3CHClCH3 Propane, 2-chloro- prcl2  
1156 CH3CH2CH2Br n-propyl bromide prbr  
1157 CH3CHBrCH3 i-propyl bromide iprbr  
1158 C3H9O+ trimethyl oxonium cation c3h9o+  
1159 C5H5 cyclopentadienyl radical c5h5  
1160 C5H5- cylopentadienyl anion c5h5-  
1161 C5H6 1,3-Cyclopentadiene c542927  
1162 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1163 C5H6 3-Penten-1-yne, (E)- c2004695  
1164 C5H6 3-Penten-1-yne, (Z)- c1574409  
1165 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1166 C5H6 Cyclopropylacetylene c6746947  
1167 C5H6 Propellane propellane  
1168 C5H7 1,3-pentadienyl radical pdyl  
1169 C5H7 cyclopentenyl radical cpyl  
1170 C5H8 1,2-Butadiene, 3-methyl- c598254  
1171 C5H8 1,2-Pentadiene c591957  
1172 C5H8 1,3-Butadiene, 2-methyl- c78795  
1173 C5H8 1,3-Pentadiene, (E)- c2004708  
1174 C5H8 1,3-Pentadiene, (Z)- c1574410  
1175 C5H8 1,4-Pentadiene c591935  
1176 C5H8 1-pentyne a1pentyne  
1177 C5H8 2,3-Pentadiene c591968  
1178 C5H8 Cyclobutane, methylene- c1120565  
1179 C5H8 Cyclopentene c142290  
1180 C5H8 Ethenylcyclopropane c693867  
1181 CH3CCCH2CH3 2-Pentyne 2pentyne  
1182 C5H10 1-Butene, 2-methyl- c563462  
1183 C5H10 2-Butene, 2-methyl- c513359  
1184 C5H10 2-Pentene, (E)- c646048  
1185 C5H10 2-Pentene, (Z)- c627203  
1186 C5H10 Cyclopentane c287923  
1187 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1188 CH2CHCH2CH2CH3 1-pentene pentene  
1189 C5H11 2-Methylbut-2-yl radical c4348350  
1190 C5H12 Butane, 2-methyl- buta2  
1191 C5H12 Pentane pentane  
1192 C5H12 Propane, 2,2-dimethyl- neopentane  
1193 Si(CH3)4 tetramethylsilane tms  
1194 N2O3 Dinitrogen trioxide n2o3  
1195 C3H2N2 Malononitrile c3h2n2  
1196 CH2N4 1H-Tetrazole 1htz  
1197 C3H3N2 imidazolyl radical im  
1198 C3H3N2- imidizolyl anion im-  
1199 C2H3N3 1H-1,2,4-Triazole c288880  
1200 C4H4N pyrrolide radical c4h4n  
1201 C4H4N- pyrrolide anion c4h4n-  
1202 C3H4N2 1H-Imidazole 1himidaz  
1203 C3H4N2 1H-Pyrazole 1hpyraz  
1204 C3H4N2 2H-Imidazole imid2h  
1205 C3H4N2 4H-Imidazole imid4h  
1206 C4H5N (E)-2-Butenenitrile c627269  
1207 C4H5N (Z)-2-Butenenitrile c1190767  
1208 C4H5N 2H-pyrrole pyrrole2  
1209 C4H5N 3H-pyrrole pyrrole3  
1210 C4H5N Cyclopropanecarbonitrile c5500210  
1211 CH2CHCH2CN Allylcyanide ch2chch2cn  
1212 C4H6N+ pyrrole, alpha-protonated appyr  
1213 C4H6N+ pyrrole, beta-protonated bppyr  
1214 C4H6N+ pyrrole, protonated ppyr  
1215 C3H6N2 3-Aminopropionitrile c151188  
1216 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1217 CH3CH2CH2CN Butanenitrile c109740  
1218 C5H8 Bicyclo[2.1.0]pentane c185944  
1219 C5H8 Spiropentane c157404  
1220 C4H9N Cyclobutylamine cbam  
1221 C4H9N Pyrrolidine pyrrolidine  
1222 C3H10N2 1,2-Diaminopropane diampr12  
1223 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1224 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1225 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1226 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1227 NH(C2H5)2 diethylamine dea  
1228 NC4H12+ tetramethyl ammonium cation nc4h12+  
1229 C3O2+ Carbon suboxide cation c3o2+  
1230 B2O3 diboron trioxide b2o3  
1231 MgCO3 Magnesium Carbonate mgco3  
1232 BeCO3 Beryllium Carbonate beco3  
1233 CaCO3 Calcium Carbonate caco3  
1234 ONONO Nitrosyl nitrite onono  
1235 PO4--- phosphate po4---  
1236 SO4-- sulfate so4--  
1237 HOONO2 peroxy nitric acid hoono2  
1238 HSO4- bisulfate anion hso4-  
1239 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1240 C3H2O2 Propiolic acid c3h2o2  
1241 CHOCOOH oxo acetic acid oaa  
1242 H2SO4 Sulfuric acid h2so4  
1243 H2SeO4 Selenic acid h2seo4  
1244 C3H3NO Isoxazole isox  
1245 C3H3NO Oxazole oxazole  
1246 C3H3NS Thiazole thiazole  
1247 CH3C(O)OO acetyl peroxy radical ch3coo2  
1248 CH3NO3 Methyl nitrate ch3no3  
1249 H3PO4 Phosphoric Acid h3po4  
1250 C4H4O Furan furan  
1251 C4H4O+ Furan cation furan+  
1252 CH3COCCH 3-butyn-2-one c1423605  
1253 C4H4S Thiophene furans  
1254 C3H4O2 β–Propiolactone beta  
1255 C3H4O2 2-Propenoic acid propenoic2  
1256 C3H4O2 Methyl glyoxal megly  
1257 C3H4O2 propanedial propanedial  
1258 C3H4O2 propenalol propenalol  
1259 HOCHCCHOH allenediol aldiol  
1260 C2H4O3 1,2,3-trioxolane c2h4o3  
1261 C2H4O3 trioxolane124 triox  
1262 HOCH2COOH Hydroxyacetic acid hac  
1263 CH2CHCONH2 Acrylamide c79061  
1264 CH3OCH2CN Methoxyacetonitrile c1738369  
1265 CH5N3S Hydrazinecarbothioamide c79196  
1266 H2NCH2COOH Glycine glycine  
1267 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1268 C4H6O cis-2-butenal butenal2c  
1269 C4H6O Cyclobutanone cbutone  
1270 C4H6O Furan, 2,3-dihydro- furan23h  
1271 C4H6O Furan, 2,5-dihydro- furan25h  
1272 CH2CHOCHCH2 Vinyl ether vinylether  
1273 CHOCHCHCH3 2-Butenal butenal2  
1274 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1275 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1276 CH2CHSCHCH2 Divinyl sulfide divis  
1277 C2H6N2O Urea, methyl- c598505  
1278 C3H6O2 1,3-Dioxolane dioxolane  
1279 CH3CH2COOH Propanoic Acid propanoic  
1280 CH3COOCH3 methyl acetate aame  
1281 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1282 C3H7NO dimethylformamide dmf  
1283 C3H7NO Propanamide propanam  
1284 C2H3OC2H5 Ethene, ethoxy- c109922  
1285 C4H8O Cyclobutanol c2919235  
1286 C4H8O Furan, tetrahydro- thf  
1287 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1288 CH3COCH2CH3 2-Butanone buta2one  
1289 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1290 CHOCH2CH2CH3 Butanal butanal  
1291 C3H8O2 1,3-Propanediol c504632  
1292 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1293 C3H8O2 Methane, dimethoxy- c109875  
1294 C3H8O2 Propylene glycol c57556  
1295 C3H8S2 1,3-Propanedithiol c109808  
1296 C4H10O 1-Butanol butanol1  
1297 C4H10O 1-Propanol, 2-methyl- c78831  
1298 C4H10O 2-Butanol, (.+/-.)- butanol2  
1299 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1300 C4H10O Ethoxy ethane etoet  
1301 C4H10O Propane, 2-methoxy- c598538  
1302 C4H10O+ 1-Butanol cation butanol1+  
1303 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1304 C2H5SC2H5 Diethyl sulfide etset  
1305 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1306 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1307 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1308 FNO3 Fluorine nitrate fno3  
1309 ClONO2 Chlorine nitrate clono2  
1310 BrONO2 Bromine nitrate brono2  
1311 TiCl4 Titanium tetrachloride ticl4  
1312 ClO4- perchlorate anion clo4-  
1313 BF4- tetrafluoroboron anion bf4-  
1314 ClFO3 Perchloryl fluoride clfo3  
1315 SO2F2 Sulfuryl fluoride so2f2  
1316 SO2Cl2 Sulfuryl chloride so2cl2  
1317 F3NO Nitrogen trifluoride oxide f3no  
1318 F3PO Phosphoryl fluoride pf3o  
1319 Cl3PO Phosphoryl chloride pcl3o  
1320 CF4 Carbon tetrafluoride cf4  
1321 CF3Cl Methane, chlorotrifluoro- cf3cl  
1322 SiF4 Silicon tetrafluoride sif4  
1323 CF2Cl2 difluorodichloromethane cf2cl2  
1324 TiF4 Titanium tetrafluoride tif4  
1325 CFCl3 Trichloromonofluoromethane cfcl3  
1326 GeF4 Germanium tetrafluoride gef4  
1327 CCl4 Carbon tetrachloride ccl4  
1328 CCl4+ Carbon tetrachloride cation ccl4+  
1329 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1330 SiCl4 Silane, tetrachloro- sicl4  
1331 CF3I trifluoroiodomethane cf3i  
1332 CBrCl3 Methane, bromotrichloro- cbrcl3  
1333 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1334 GeCl4 Germanium Tetrachloride gecl4  
1335 CCl3I trichloroiodomethane ccl3i  
1336 CFBr3 fluorotribromomethane cfbr3  
1337 CFClBrI fluorochlorobromoiodomethane cfclbri  
1338 CF2I2 difluorodiiodomethane cf2i2  
1339 CBr4 Carbon tetrabromide cbr4  
1340 CCl2I2 dichlorodiiodomethane ccl2i2  
1341 SiBr4 Silicon tetrabromide sibr4  
1342 CBr3I tribromoiododmethane cbr3i  
1343 GeBr4 Germanium tetrabromide gebr4  
1344 SiI4 silicon tetraiodide sii4  
1345 ClOF3 Chlorine trifluoride oxide clof3  
1346 SCl4 Sulfur tetrachloride scl4  
1347 C2HF3 Trifluoroethylene c2hf3  
1348 C2HF3+ Trifluoroethylene cation c2hf3+  
1349 CHClCCl2 Trichloroethylene chclccl2  
1350 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1351 HClO4 perchloric acid hclo4  
1352 HSO3F Fluorosulfonic acid hso3f  
1353 CF3OH trifluoromethanol cf3oh  
1354 CHClCCHCl 1,3-dichloroallene chclcchcl  
1355 CHCl2CHO dichloroacetaldehyde chcl2cho  
1356 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1357 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1358 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1359 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1360 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1361 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1362 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1363 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1364 NH3BCl3 Amminetrichloroboron nh3bcl3  
1365 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1366 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1367 C3H5ClO Oxirane, (chloromethyl)- c106898  
1368 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1369 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1370 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1371 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1372 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1373 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1374 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1375 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1376 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1377 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1378 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1379 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1380 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1381 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1382 C4H9F 1-fluorobutane butaf1  
1383 CH3CHFCH2CH3 2-fluorobutane butaf2  
1384 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1385 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1386 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1387 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1388 NH3BF3 Amminetrifluoroboron nh3bf3  
1389 C6H2 hexatriyne c6h2  
1390 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1391 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1392 C6H4 Benzyne benzyne  
1393 C6H5 phenyl phenyl  
1394 C6H5- phenyl anion phenyl-  
1395 C6H6 2,4-Hexadiyne hexadiyne  
1396 C6H6 3,4-Dimethylenecyclobutene cb34m  
1397 C6H6 Benzene benzene  
1398 C6H6 Benzvalene bv  
1399 C6H6 Hexa-1,5-diene-3-yne hdy153  
1400 C6H6 Trimethylenecycopropane tmcp  
1401 C6H6+ Benzene cation c6h6+  
1402 C6H7+ benzene, protonated c6h7+  
1403 C6H8 (E)-hexa-1,3,5-triene c821078  
1404 C6H8 (E)-hexa-2,3,4-triene c59660650  
1405 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1406 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1407 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1408 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1409 C6H8 3-Methylenecyclopentene c930267  
1410 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1411 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1412 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1413 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1414 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1415 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1416 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1417 C6H10 1,5-Hexadiene c592427  
1418 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1419 C6H10 1-Hexyne hexyne1  
1420 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1421 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1422 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1423 C6H10 2-Hexyne c764352  
1424 C6H10 3-Hexyne hexyne3  
1425 C6H10 cyclohexene cyclohexene  
1426 C6H10 Cyclopentene, 1-methyl- c693890  
1427 C6H10 Cyclopentene, 3-methyl- c1120623  
1428 C6H10 Cyclopentene, 4-methyl- c1759815  
1429 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1430 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1431 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1432 C6H12 (E)-2-Hexene e2hexene  
1433 C6H12 (E)-3-methylpent-2-ene c616126  
1434 C6H12 (E)-hex-3-ene e3hexene  
1435 C6H12 (Z)-3-methylpent-2-ene c922623  
1436 C6H12 (Z)-hex-2-ene z2hexene  
1437 C6H12 (Z)-hex-3-ene z3hexene  
1438 C6H12 2,3-dimethylbut-1-ene c563780  
1439 C6H12 2,3-dimethyl-but-2-ene tmeet  
1440 C6H12 3-methylenepentane c760214  
1441 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1442 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1443 C6H12 Cyclohexane cyclohexane  
1444 C6H12 Cyclopentane, methyl- c96377  
1445 C6H12 Ethylcyclobutane c4806615  
1446 C6H12 hex-1-ene hexene1  
1447 C6H14 Butane, 2,2-dimethyl- buta22  
1448 C6H14 Butane, 2,3-dimethyl- buta23  
1449 C6H14 Hexane hexane  
1450 C6H14 Pentane, 2-methyl- penta2  
1451 C6H14 Pentane, 3-methyl- penta3  
1452 C4N2 2-Butynedinitrile c4n2  
1453 C4H2N2 Fumaronitrile c4h2n2  
1454 C2H2N4 sym-tetrazine ttz  
1455 C3H3N3 1,3,5-Triazine triazine135  
1456 CH3N5 5-Aminotetrazole c4418615  
1457 C4H4N2 1,3-Diazine diazine13  
1458 C4H4N2 Pyrazine pyrazine  
1459 C4H4N2 Pyridazine pyridazine  
1460 C4H4N2 Succinonitrile c110612  
1461 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1462 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1463 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1464 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1465 C5H5N E-2,4-pentadienenitrile bdcn  
1466 C5H5N Pyridine pyridine  
1467 B3N3H6 borazine borazine  
1468 C6H6 Fulvene fulvene  
1469 C5H6N+ Pyridinium c5h6n  
1470 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1471 C5H7N (E)-2-Pentenenitrile c26294984  
1472 C5H7N (E)-3-Pentenenitrile c16529661  
1473 C5H7N (Z)-2-Pentenenitrile c25899507  
1474 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1475 C5H7N Cyclobutanecarbonitrile c4426113  
1476 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1477 C5H9N Butanenitrile, 2-methyl- c18936179  
1478 C5H9N Pentanenitrile c110598  
1479 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1480 C6H10 Bicyclo[3.1.0]hexane c285585  
1481 C5H11N Cyclopentanamine cypentam  
1482 C5H11N Piperidine piper  
1483 C4H12N2 1,2-Butanediamine c4426486  
1484 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1485 Li2CO3 Lithium Carbonate li2co3  
1486 Na2CO3 Sodium Carbonate na2co3  
1487 C2O4-- oxalate anion c2o4  
1488 MgSO4 Magnesium Sulfate mgso4  
1489 N2O4 Dinitrogen tetroxide n2o4  
1490 C2H2O4 Oxalic Acid oxalic  
1491 C2H3NO3 Oxamic acid oxamic  
1492 C4H4O2 2(5H)-Furanone furanone  
1493 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1494 C2H4N2O2 Oxalamide oxalamide  
1495 C2H4N2S2 Ethanedithioamide c79403  
1496 C2H4CO3 Ethylene carbonate etco3  
1497 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1498 C3H4S3 1,3-Dithiolane-2-thione c822388  
1499 C2H4O4 Formic acid dimer fadimer  
1500 C4H5NO 3-Methylisoxazole isox3m  
1501 C4H5NO Isoxazole, 5-methyl- c5765446  
1502 C4H5NS 4-Methylthiazole c693958  
1503 C2H5NO3 Nitric acid, ethyl ester c625581  
1504 C5H6O 2H-Pyran pyran2  
1505 C5H6O 2-methylfuran furan2m  
1506 C5H6O 3-Methylfuran furan3m  
1507 C5H6O Pentadienal pdal  
1508 C5H6S Thiophene, 2-methyl- c554143  
1509 C5H6S Thiophene, 3-methyl- c616444  
1510 C4H6O2 2,3-Butanedione c431038  
1511 C4H6O2 2-Propenoic acid, methyl ester c96333  
1512 C4H6O2 Crotonic Acid crot  
1513 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1514 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1515 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1516 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1517 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1518 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1519 C4H6OS Vinyl sulfoxide c1115157  
1520 CH6N4S Carbonothioic dihydrazide thiacarb  
1521 C2H6N2O2 (E)-Azodioxymethane c37765154  
1522 C2H6N2O2 Dimethylnitroamine c4164287  
1523 C3H6S3 1,3,5-Trithiane c3h6s3  
1524 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1525 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1526 C4H7NO 2-Pyrrolidinone c616455  
1527 C4H7NO Ethoxyacetonitrile etoaccn  
1528 C4H7NO Methacrylamide c79390  
1529 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1530 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1531 C3H7ONO Propyl nitrite prono  
1532 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1533 CH3CH(NH2)COOH Alanine alanine  
1534 CH3NHCH2COOH Sarcosine sarcosine  
1535 NH2CH2CH2COOH β–alanine betaalanine  
1536 NH2COOC2H5 Urethane urethane  
1537 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1538 C5H8O Cyclopentanone c120923  
1539 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1540 C5H8O Methyl cyclopropyl ketone c765435  
1541 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1542 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1543 NH2CONHC2H5 Urea, ethyl- c625525  
1544 C4H8O2 1,3-Dioxane dioxan13  
1545 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1546 C4H8O2 1,4-Dioxane dioxan14  
1547 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1548 C4H8O2 Ethyl acetate c141786  
1549 C4H8OS s-Ethyl thioacetate c625605  
1550 C3H8O3 1,2,3-Propanetriol glycerin  
1551 C3H8O2S (Methylsulfonyl)ethane c594434  
1552 C4H9NO Butanamide c541355  
1553 C4H9NO Propanamide, 2-methyl- c563837  
1554 C5H10O 2-Butanone, 3-methyl- c563804  
1555 C5H10O 2H-Pyran, tetrahydro- c142687  
1556 C5H10O 2-methylbutyraldehyde 2meba  
1557 C5H10O 2-Pentanone mpk  
1558 C5H10O Cyclopentanol c96413  
1559 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1560 C5H10O Pentanal pal  
1561 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1562 C5H10S 3-Ethylthio-1-propene c5296628  
1563 C5H10S Cyclopentanethiol c1679078  
1564 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1565 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1566 C4H10O2 1,1-Dimethoxyethane c534156  
1567 C4H10O2 1,3-Butanediol budiol13  
1568 C4H10O2 1,4-Butanediol budiol14  
1569 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1570 C4H10OS Diethyl sulfoxide c70291  
1571 C4H10S2 1,4-Butanedithiol budisl14  
1572 C4H11NO Diethylhydroxylamine c3710847  
1573 C5H12O 1-Butanol, 2-methyl- c137326  
1574 C5H12O 1-Butanol, 3-methyl- c123513  
1575 C5H12O 1-Pentanol pentanol1  
1576 C5H12O 2-Butanol, 3-methyl- c598754  
1577 C5H12O 2-Pentanol peol2  
1578 C5H12O 3-Pentanol pentan3ol  
1579 C5H12O Butane, 1-methoxy- meobu  
1580 C5H12O Propane, 1-ethoxy- proet  
1581 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1582 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1583 C5H12S 1-Butanethiol, 3-methyl- c541311  
1584 C5H12S 1-Pentanethiol c110667  
1585 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1586 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1587 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1588 C5H12S Butane, 1-(methylthio)- c628295  
1589 C5H12S Ethyl propyl sulfide c4110503  
1590 C5H12S Propane, 2-(ethylthio)- c5145993  
1591 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1592 ClCOClCO Oxalyl chloride oxcl  
1593 CF3CN Acetonitrile, trifluoro- cf3cn  
1594 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1595 B2F4 Diboron tetrafluoride b2f4  
1596 B2Cl4 Diboron tetrachloride b2cl4  
1597 C2F4 Tetrafluoroethylene c2f4  
1598 C2F4+ Tetrafluoroethylene cation c2f4+  
1599 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1600 CF2CCl2 difluorodichloroethylene cf2ccl2  
1601 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1602 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1603 C2FCl3 fluorotrichloroethene c2fcl3  
1604 C2Cl4 Tetrachloroethylene c2cl4  
1605 C2Br4 tetrabromoethene c2br4  
1606 CF3OF Trifluoromethylhypofluorite cf3of  
1607 SOF4 Sulfur tetrafluoride oxide sof4  
1608 PF5 Phosphorus pentafluoride pf5  
1609 AsF5 Arsenic pentafluoride asf5  
1610 PCl5 Phosphorus pentachloride pcl5  
1611 SF5 Sulfur pentafluoride sf5  
1612 SF5+ pentafluoro sulfur cation sf5+  
1613 SbCl5 Antimony pentachloride sbcl5  
1614 BrF5 bromine pentafluoride brf5  
1615 ClF5 chlorinepentafluoride clf5  
1616 IF5 pentafluoroiodine if5  
1617 CF3CHO trifluoroacetaldehyde cf3cho  
1618 CCl3CHO trichloroacetaldehyde ccl3cho  
1619 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1620 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1621 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1622 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1623 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1624 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1625 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1626 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1627 CF3COOH trifluoroacetic acid cf3cooh  
1628 C4H3ClO Furan, 2-chloro fur2cl  
1629 C4H3ClO Furan,3-chloro fur3cl  
1630 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1631 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1632 C4H8Cl2 1,4-Dichlorobutane c110565  
1633 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1634 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1635 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1636 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1637 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1638 C5H11Cl Pentane, 1-chloro- pencl1  
1639 C4H8O2 Butanoic acid bua  
1640 C6H5CH2 benzyl radical benzyl  
1641 C7H7 cycloheptatrienyl radical c7h7  
1642 C7H7+ cycloheptatrienyl cation c7h7+  
1643 C6H5CH3 toluene toluene  
1644 C7H8 cycloheptatriene cht  
1645 C7H8 Norbornadiene norbor  
1646 C7H8 Quadricyclane qucy  
1647 C7H12 Norbornane nor  
1648 C7H14 cycloheptane c7h14  
1649 C7H16 2-methylhexane 2mhex  
1650 C7H16 3-methylhexane hex3m  
1651 C7H16 heptane heptane  
1652 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1653 C6H7N 2-Methylpyridine mp  
1654 C6H5NH2 aniline aniline  
1655 C6H13N 2-Methylpiperidine pip2m  
1656 C6H13N cyclohexanamine cham  
1657 C6H15N triethylamine tea  
1658 N2O5 Dinitrogen pentoxide n2o5  
1659 C4H2O3 Maleic Anhydride malan  
1660 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1661 C5H4O2 furfural furfural  
1662 C6H5O phenoxy radical phenoxy  
1663 C5H5NO 2(1H)-Pyridinone c72762006  
1664 C5H5NO 2(3H)-Pyridinone c9000048  
1665 C5H5NO 2(5H)-Pyridinone c9000037  
1666 C5H5NO 2-Pyridinol c109104  
1667 C5H5NO 3(2H)-Pyridinone c9000004  
1668 C5H5NO 3(4H)-Pyridinone c9000026  
1669 C5H5NO 3(6H)-Pyridinone c9000015  
1670 C5H5NO 3-Pyridinol c109002  
1671 C5H5NO 4(1H)-Pryidinone c9000060  
1672 C5H5NO 4(3H)-Pryidinone c9000059  
1673 C5H5NO 4-Pyridinol c626642  
1674 C6H5OH phenol phenol  
1675 C6H6O 2,4-Cyclohexadienone c24599573  
1676 C6H6O 2,5-Cyclohexadienone c5664335  
1677 C6H5SH Benzenethiol phsh  
1678 HO2CCHNH2CH2OH Serine serine  
1679 C5H8O2 Acetylacetone acac  
1680 C4H8O2S Sulfolane sulfolane  
1681 C7H10 Norbornene norbornene  
1682 CH(C2H3)3 trivinyl methane tvm  
1683 C6H10O cyclohexanone chexo  
1684 C6H12O hexanal c6h12o  
1685 C3H7OC3H7 di-n-propyl ether propr  
1686 CF3COO- trifluoro acetate anion cf3coo-  
1687 CF3COF trifluoroacetyl fluoride cf3cof  
1688 CF3COCl trifluoroacetyl chloride cf3cocl  
1689 PF6 Hexafluorophosphate neutral pf6  
1690 PF6- Hexafluorophosphate ion pf6-  
1691 SeF6 Selenium hexafluoride sef6  
1692 SF5Cl sulfur chloropentafluoride sf5cl  
1693 CF3CHF2 pentafluoroethane cf3chf2  
1694 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1695 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1696 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1697 CCl3CHCl2 pentachloroethane ccl3chcl2  
1698 C6H5F Fluorobenzene bzf  
1699 C6H5Cl chlorobenzene bzcl  
1700 C6H5Br bromobenzene bzbr  
1701 C8H6 Calicene calicene  
1702 C6H5CCH phenylacetylene phac  
1703 C8H6 benzocyclobutadiene bcbd  
1704 C8H6 Pentalene pentalene  
1705 C6H5CHCH2 Styrene styrene  
1706 C8H8 cubane cubane  
1707 C8H8 cyclooctatetraene cot  
1708 C6H5CH2CH3 Ethylbenzene etbz  
1709 CH3C6H4CH3 meta-xylene mxylene  
1710 CH3C6H4CH3 paraxylene pxylene  
1711 C8H14 Bicyclo[2.2.2]octane bico222  
1712 C8H16 cyclooctane cyclooct  
1713 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1714 C8H18 Octane c8h18  
1715 C6H5CN phenyl cyanide phcn  
1716 C6H12N2 Triethylenediamine ted  
1717 C4O4-- squarate dianion c4o4--  
1718 S4N4 Tetrasulfur tetranitride s4n4  
1719 S8 Octasulfur s8  
1720 C6H4O2 parabenzoquinone pbq  
1721 C4H4N2O2 Uracil uracil  
1722 C6H5CHO benzaldehyde benzal  
1723 C6H5OCH3 Anisole anisole  
1724 C5H9NO2 Proline proline  
1725 C6H12O2 Methyl pivalate c598981  
1726 C6H12O2 Hexanoic acid hexa  
1727 C4F4 tetrafluorcyclobutadiene c4f4  
1728 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1729 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1730 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1731 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1732 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1733 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1734 C2F6 hexafluoroethane c2f6  
1735 C2Cl6 hexachloroethane c2cl6  
1736 IF7 Iodine heptafluoride if7  
1737 C6H4F2 metadifluorobenzene mdfb  
1738 C6H4F2 orthodifluorobenzene odfb  
1739 C6H4F2 1,4-difluorobenzene pdfb  
1740 C6H4Cl2 1,2-dichlorobenzene dcb12  
1741 C6H4Cl2 1,3-dichlorobenzene dcb13  
1742 C6H4Cl2 1,4-dichlorobenzene dcb14  
1743 C6H5NO nitrosobenzene bzno  
1744 C9H8 Indene indene  
1745 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1746 C9H12 n-propyl benzene prbz  
1747 C9H20 Nonane nonane  
1748 C(CN)4 tetracyanomethane c5n4  
1749 C5H4N4 purine purine  
1750 C8H7N Indole indole  
1751 C3H3N3O3 cyanuric acid cyanuric  
1752 C6H5NO2 Nitrobenzene c6h5no2  
1753 C6H5COOH benzoic acid benzo  
1754 CH3COC6H5 acetophenone acph  
1755 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1756 C6H3F3 Benzene trifluoride 123 bzf3a  
1757 C10H8 Azulene azu  
1758 C10H8 naphthalene naph  
1759 C10H10 bullvalene bullv  
1760 C10H16 adamantane adamantane  
1761 C6N4 Tetracyanoethylene tcne  
1762 C6N4- tetracyanoethylene anion tcne-  
1763 C10H22 Decane decane  
1764 C4F6 perfluorobutadiene c4f6  
1765 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1766 C3F8 perfluoropropane c3f8  
1767 Fe(CO)5 Iron pentacarbonyl ipc  
1768 Fe(C5H5)2 ferrocene fecp2  
1769 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1770 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1771 C12H8 Acenaphthylene acenaph  
1772 C12H8 biphenylene biph  
1773 C12H10 biphenyl biphenyl  
1774 C12H10 Heptalene heptalene  
1775 C6H12O6 Inositol inositol  
1776 C6F6 hexafluorobenzene c6f6  
1777 S2F10 disulphur decafluoride s2f10  
1778 C13H10 Fluorene fluorene  
1779 C14H10 Anthracene anth  
1780 C14H10 Phenanthrene phenanthrene  
1781 C14H14 Bibenzyl bibenzyl  
1782 C12H10N2 azobenzene azobenzene  
1783 C6H5COC6H5 benzophenone benzophenone  
1784 C16H10 Pyrene pyrene  
1785 C18H12 Tetracene tetracene  
1786 C19H16 Triphenylmethane tpm  
1787 C24H12 Coronene coronene  
1788 C60 Buckminsterfullerene c60