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

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

List of which calculations are completed at MP4 /6-31+G**

Jump to calculations not yet done
count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 He Helium atom 1SKh
3 Li Lithium atom 2SKh
4 Na Sodium atom 2SKh
5 K Potassium atom 2SKh
6 Cu Copper atom 2SKh
7 LiH Lithium Hydride 1ΣC∞v
8 Be Beryllium atom 1SKh
9 Be+ Beryllium atom cation 2SKh
10 Mg Magnesium atom 1SKh
11 Mg+ Magnesium atom cation 2SKh
12 Zn Zinc atom 1SKh
13 B Boron atom 2PKh
14 B Boron atom 4PKh
15 B+ Boron atom cation 1SKh
16 Al Aluminum atom 2PKh
17 Al+ Aluminum atom cation 1SKh
18 C Carbon atom 3P0Kh
19 C Carbon atom 3P1Kh
20 C+ Carbon atom cation 2PKh
21 Si Silicon atom 3PKh
22 Si Silicon atom 1SKh
23 Si+ Silicon atom cation 2PKh
24 CH4 Methane 1A1Td
25 N Nitrogen atom 4SKh
26 N Nitrogen atom 2DKh
27 N+ Nitrogen atom cation 3PKh
28 P Phosphorus atom 4SKh
29 NH3 Ammonia 1A1C3v
30 O Oxygen atom 3SKh
31 O+ Oxygen atom cation 4SKh
32 S Sulfur atom 3PKh
33 OH Hydroxyl radical 2ΠC∞v
34 H2O Water 1A1C2v
35 F Fluorine atom 2PKh
36 F+ Fluorine atom cation 3SKh
37 Cl Chlorine atom 2PKh
38 Cl+ Chlorine atom cation 3PKh
39 Br Bromine atom 2PKh
40 HF Hydrogen fluoride 1ΣC∞v
41 HCl Hydrogen chloride 1ΣC∞v
42 Ne Neon atom 1SKh
43 Ne+ Neon atom cation 2PKh
44 Ar Argon atom 1SKh
45 NaLi lithium sodium 1ΣC∞v
46 Na2 Sodium diatomic 1ΣgD∞h
47 Si2 Silicon diatomic 3ΣgD∞h
48 C2H2 Acetylene 1ΣgD∞h
49 C2H4 Ethylene 1AgD2h
50 C2H6 Ethane 1A1gD3d
51 N2 Nitrogen diatomic 1ΣgD∞h
52 HCN Hydrogen cyanide 1ΣC∞v
53 CO Carbon monoxide 1ΣC∞v
54 CS carbon monosulfide 1ΣC∞v
55 NO Nitric oxide 2ΠC∞v
56 O2 Oxygen diatomic 3ΣgD∞h
57 HO2 Hydroperoxy radical 2A"Cs
58 H2CO Formaldehyde 1A1C2v
59 BF Boron monofluoride 1ΣC∞v
60 F2 Fluorine diatomic 1ΣgD∞h
61 Cl2 Chlorine diatomic 1ΣgD∞h
62 C3H5 Allyl radical 2A2C2v
63 C3H6 Cyclopropane 1A1'D3h
64 CH2CHCH3 Propene 1A'Cs
65 CO2 Carbon dioxide 1ΣgD∞h
66 SO2 Sulfur dioxide 1A1C2v
67 CH3CO Acetyl radical 2A'Cs
68 BF3 Borane, trifluoro- 1A'D3h
69 AlF3 Aluminum trifluoride 1A1'D3h

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 h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
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 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 Na+ Sodium atom cation na+  
21 K- Potassium atom anion k-  
22 K+ Potassium atom cation k+  
23 Cu- Copper atom anion cu-  
24 Cu+ Copper atom cation cu+  
25 LiH- lithium hydride anion lih-  
26 LiH+ lithium hydride cation lih+  
27 NaH sodium hydride nah  
28 NaH- sodium hydride anion nah-  
29 NaH+ sodium hydride cation nah+  
30 KH Potassium hydride kh  
31 KH+ Potassium hydrogen cation kh+  
32 CuH Copper monohydride cuh  
33 Be- Beryllium atom anion be-  
34 Mg- Magnesium atom anion mg-  
35 Ca Calcium atom ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH beryllium monohydride beh  
41 BeH- berylium monohydride anion beh-  
42 BeH+ beryllium monohydride cation beh+  
43 MgH magnesium monohydride mgh  
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 ZnH+ Zinc, protonated znh+  
51 BeH2 beryllium dihydride beh2  
52 BeH2+ Beryllium dihydride cation beh2+  
53 MgH2 magnesium dihydride mgh2  
54 CaH2 Calcium Hydride cah2  
55 ZnH2 Zinc hydride znh2  
56 B- Boron atom anion b-  
57 Al- Aluminum atom anion al-  
58 Sc Scandium atom sc  
59 Sc+ Scandium cation sc+  
60 Ga Gallium atom ga  
61 Ga- Gallium atom anion ga-  
62 Ga+ Gallium atom cation ga+  
63 BH Boron monohydride bh  
64 BH- boron monohydride anion bh-  
65 BH+ boron monohydride cation bh+  
66 AlH aluminum monohydride alh  
67 AlH- aluminum monohydride anion alh-  
68 AlH+ aluminum monohydride cation alh+  
69 ScH Scandium monohydride sch  
70 ScH+ Scandium monohydride cation sch+  
71 GaH Gallium monohydride gah  
72 GaH+ Gallium monohydride cation gah+  
73 BH2 boron dihydride bh2  
74 BH2- boron dihydride anion bh2-  
75 BH2+ Boron dihydride cation bh2+  
76 AlH2 aluminum dihydride alh2  
77 AlH2- aluminum dihydride anion alh2-  
78 AlH2+ aluminum dihydride cation alh2+  
79 BH3 boron trihydride bh3  
80 BH3- boron trihydride anion bh3-  
81 BH3+ boron trihydride cation bh3+  
82 AlH3 aluminum trihydride alh3  
83 AlH3- aluminum trihydride anion alh3-  
84 AlH3+ aluminum trihydride cation alh3+  
85 ScH3 Scandium trihydride sch3  
86 GaH3 Gallium trihydride gah3  
87 BH4 borohydride bh4  
88 BH4- borohydride anion bh4-  
89 AlH4- Aluminum tetrahydride anion alh4-  
90 C- Carbon atom anion c-  
91 Si- Silicon atom anion si-  
92 Ti Titanium atom ti  
93 Ti- Titanium atom anion ti-  
94 Ti+ Titanium atom cation ti+  
95 Ge Germanium atom ge  
96 Ge- Germanium anion ge-  
97 Ge+ Germanium cation ge+  
98 Sn Tin atom sn  
99 Sn+ Tin cation sn+  
100 CH Methylidyne ch  
101 CH- methylidyne anion ch-  
102 CH+ Methylidyne cation ch+  
103 SiH Silylidyne sih  
104 SiH- silicon monohydride anion sih-  
105 SiH+ silicon monohydride cation sih+  
106 GeH germylidene geh  
107 GeH+ Germaniun monohyrdide cation geh+  
108 CH2 Methylene ch2  
109 CH2- methylene anion ch2-  
110 CH2+ methylene cation ch2+  
111 SiH2 silicon dihydride sih2  
112 SiH2- silicon dihydride anion sih2-  
113 SiH2+ silicon dihydride cation sih2+  
114 GeH2 germylene geh2  
115 GeH2- germylene anion geh2-  
116 CH3 Methyl radical ch3  
117 CH3- methyl anion ch3-  
118 CH3+ methyl cation ch3+  
119 SiH3 Silyl radical sih3  
120 SiH3- Silyl anion sih3-  
121 SiH3+ Silyl cation sih3+  
122 GeH3 Germyl radical geh3  
123 GeH3+ germyl cation geh3+  
124 CD4 methane-d4 cd4  
125 CH2D2 methane-d2 ch2d2  
126 CH3D methane-d ch3d  
127 CH4- Methane anion ch4-  
128 CH4+ Methane cation ch4+  
129 CHD3 methane-d3 chd3  
130 SiH2D2 silane-d2 sih2d2  
131 SiH4 Silane sih4  
132 SiH4+ Silane cation sih4+  
133 GeH4 Germane geh4  
134 SnH4 Stannane snh4  
135 SiH5+ Silane, protonated sih5+  
136 N- Nitrogen atom anion n-  
137 P- Phosphorus atom anion p-  
138 P+ Phosphorus atom cation p+  
139 V Vanadium atom v  
140 V+ Vanadium atom cation v+  
141 As Arsenic atomic as  
142 As- Arsenic anion as-  
143 As+ Arsenic cation as+  
144 Sb Antimony atom sb  
145 NH Imidogen nh  
146 NH- Imidogen anion nh-  
147 NH+ imidogen cation nh+  
148 PH phosphorus monohydride ph  
149 PH- phosphorus monohydride anion ph-  
150 PH+ phosphorus monohydride cation ph+  
151 AsH Arsenic monohydride ash  
152 AsH+ Arsenic monohydride cation ash+  
153 SbH Antimony monohydride sbh  
154 ND2 Amidogen-d2 nd2  
155 NH2 Amino radical nh2  
156 NH2- amino anion nh2-  
157 NH2+ Amino cation nh2+  
158 PH2 Phosphino radical ph2  
159 PH2- Phosphino anion ph2-  
160 PH2+ Phosphino cation ph2+  
161 AsH2 Arsenic dihydride ash2  
162 AsH2+ Arsenic dihydride cation ash2+  
163 ND3 Ammonia-d3 nd3  
164 NH3- Ammonia anion nh3-  
165 NH3+ ammonia cation nh3+  
166 PH3 Phosphine ph3  
167 PH3+ Phosphine cation ph3+  
168 AsH3 Arsine ash3  
169 AsH3+ Arsine cation ash3+  
170 SbH3 Stibine sbh3  
171 AsH4+ Arsonium ash4+  
172 NH4 Ammonium radical nh4  
173 NH4+ ammonium cation nh4+  
174 PH4 Phosphoranyl radical ph4  
175 PH4+ phosphonium cation ph4+  
176 O- Oxygen atom anion o-  
177 S- Sulfur atom anion s-  
178 S+ Sulfur atom cation s+  
179 Cr Chromium atom cr  
180 Se Selenium atom se  
181 Se- Selenium atom anion se-  
182 Se+ Selenium atom cation se+  
183 Te Tellurium atom te  
184 Te+ Tellurium atom cation te+  
185 DO Hydroxyl-d od  
186 OH- hydroxide anion oh-  
187 OH+ hydoxyl cation oh+  
188 DS Mercapto-d ds  
189 HS Mercapto radical hs  
190 HS- mercapto anion sh-  
191 HS+ sulfur monohydride cation sh+  
192 CrH Chromium hydride crh  
193 CrH+ Chromium hydride cation crh+  
194 HSe Selenium monohydride hse  
195 HSe- selenium monohydride anion hse-  
196 HSe+ selenium monohydride cation hse+  
197 TeH Telluryl radical teh  
198 D2O Deuterium oxide d2o  
199 H2O- water anion h2o-  
200 H2O+ water cation h2o+  
201 HDO Water-d1 hdo  
202 D2S Hydrogen sulfide-d2 d2s  
203 H2S Hydrogen sulfide h2s  
204 H2S- Hydrogen sulfide anion h2s-  
205 H2S+ Hydrogen sulfide cation h2s+  
206 H2Se Hydrogen selenide h2se  
207 H2Se+ Hydrogen selenide cation h2se+  
208 H2Te Hydrogen Telluride h2te  
209 H3O+ hydronium cation h3o+  
210 H3S+ Sulfonium cation h3s+  
211 H3Se+ Hydrogen Selenide, protonated h3se+  
212 F- Fluorine atom anion f-  
213 Cl- Chlorine atom anion cl-  
214 Mn Manganese atom mn  
215 Br- Bromine atom anion br-  
216 Br+ Bromine atom cation br+  
217 I Iodine atom iodine  
218 I- Iodine atom anion iodine-  
219 I+ Iodine atom cation iodine+  
220 DF Hydrofluoric acid-d df  
221 HF- hydrogen fluoride anion hf-  
222 HF+ hydrogen fluoride cation hf+  
223 DCl Hydrochloric acid-d dcl  
224 HCl- hydrogen chloride anion hcl-  
225 HCl+ hydrogen chloride cation hcl+  
226 HBr hydrogen bromide hbr  
227 HBr- hydrogen bromide anion hbr-  
228 HBr+ hydrogen bromide cation hbr+  
229 HI Hydrogen iodide hi  
230 HI+ Hydrogen iodide cation hi+  
231 H2F+ dihydrogen fluoride cation h2f+  
232 H2Cl+ dihydrogen monochloride cation h2cl+  
233 H2Br+ protonated hydrogen bromide h2br+  
234 H2I+ Iodonium h2i+  
235 Ne- Neon atom anion ne-  
236 Ar- Argon atom anion ar-  
237 Ar+ Argon atom cation ar+  
238 Fe Iron atom fe  
239 Kr Krypton atom kr  
240 Kr+ Krypton cation kr+  
241 Xe Xenon atom xe  
242 HeLi+ Helium Lithium cation heli+  
243 NeH neon hydrogen neh  
244 NeH+ neon hydrogen cation neh+  
245 ArH+ Argon hydride cation arh+  
246 KrH+ Protonated Krypton krh+  
247 XeH+ Xenon, protonated xeh+  
248 H2Ar H2 Ar dimer h2ar  
249 Co Cobalt atom cobalt  
250 Ni Nickel atom ni  
251 Li2 Lithium diatomic li2  
252 Li2- lithium diatomic anion li2-  
253 Li2+ lithium diatomic cation li2+  
254 NaLi- lithium sodium anion lina-  
255 NaLi+ lithium sodium cation lina+  
256 LiK Lithium Potassium lik  
257 Na2- sodium diatomic anion na2-  
258 Na2+ sodium diatomic cation na2+  
259 NaK Sodium Potassium nak  
260 NaK+ Sodium Potassium diatomic cation nak+  
261 K2 Potassium diatomic k2  
262 Cu2 Copper diatomic cu2  
263 LiBe Lithium Beryllium libe  
264 LiMg Lithium magnesium limg  
265 NaBe Sodium Beryllium nabe  
266 NaMg Sodium Magnesium namg  
267 Be2 Beryllium diatomic be2  
268 Be2- Beryllium diatomic anion be2-  
269 Be2+ Beryllium diatomic cation be2+  
270 BeMg Beryllium Magnesium bemg  
271 Mg2 Magnesium diatomic mg2  
272 Mg2- magnesium diatomic anion mg2-  
273 Mg2+ magnesium diatomic cation mg2+  
274 Ca2 Calcium diatomic ca2  
275 LiB Lithium boride lib  
276 LiAl Lithium Aluminum lial  
277 NaAl Sodium aluminum naal  
278 BeB Beryllium monoboride beb  
279 B2 Boron diatomic b2  
280 B2- Boron diatomic anion b2-  
281 B2+ Boron diatomic cation b2+  
282 BAl Boron Aluminum bal  
283 Al2 Aluminum diatomic al2  
284 Al2- aluminum diatomic anion al2-  
285 Al2+ aluminum diatomic cation al2+  
286 BGa Boron Gallium bga  
287 AlGa Aluminum Gallium alga  
288 Ga2 Gallium diatomic ga2  
289 HBBH Diborane(2) hbbh  
290 LiBH4 Lithium borohydride libh4  
291 B2H4 Diborane(4) D2d b2h4  
292 HBHHBH Diborane(4) C2V hbhhbh  
293 B2H6 Diborane b2h6  
294 B2H6+ Diborane cation b2h6  
295 Al2H6 dialane al2h6  
296 Ga2H6 digallane ga2h6  
297 LiC Lithium Carbide lic  
298 BeC Beryllium Carbide bec  
299 CaC Calcium monocarbide cac  
300 BC boron monocarbide bc  
301 BC- boron monocarbide anion bc-  
302 BC+ boron monocarbide cation bc+  
303 AlC Aluminum carbide alc  
304 BSi Boron silicide bsi  
305 C2 Carbon diatomic c2  
306 C2- carbon diatomic anion c2-  
307 C2+ carbon diatomic cation c2+  
308 SiC silicon monocarbide sic  
309 SiC- silicon monocarbide anion sic-  
310 SiC+ silicon monocarbide cation sic+  
311 Si2- silcon diatomic anion si2-  
312 Si2+ silcon diatomic cation si2+  
313 GeC Germanium monocarbide gec  
314 SiGe Silicon Germanium sige  
315 Ge2 Germanium diatomic ge2  
316 C2H Ethynyl radical c2h  
317 C2H- Ethynyl anion c2h-  
318 C2H+ Ethynyl cation c2h+  
319 ZnCH2 Zinc methylene znch2  
320 C2H2+ acetylene cation c2h2+  
321 CCH2 vinylidene vinylidene  
322 H2CC- vinylidene anion h2cc-  
323 HCCH- acetylene anion c2h2-  
324 Si2H2 disilyne si2h2  
325 CH3Li methyl lithium ch3li  
326 CuCH3 monomethyl copper cuch3  
327 ZnCH3 Zinc monomethyl znch3  
328 CH2BH methyleneborane ch2bh  
329 C2H3 vinyl c2h3  
330 C2H3- vinyl anion c2h3-  
331 C2H3+ vinyl cation c2h3+  
332 C2H4- Ethylene anion c2h4-  
333 C2H4+ Ethylene cation c2h4+  
334 CH3CH methylmethylene ch3ch  
335 CH2SiH2 silaethylene ch2sih2  
336 Si2H4 Disilene si2h4  
337 CH3BH2 methylborane ch3bh2  
338 C2H5 Ethyl radical c2h5  
339 C2H5- Ethyl anion c2h5-  
340 C2H5+ Ethyl cation c2h5+  
341 C2H6+ ethane cation c2h6+  
342 CH3SiH3 methyl silane ch3sih3  
343 Si2H6 disilane si2h6  
344 GeH3CH3 methyl germane geh3ch3  
345 C2H7+ Ethane, protonated c2h7+  
346 LiN Lithium Nitride lin  
347 LiN+ Lithium Nitride cation lin+  
348 LiP Lithium monophosphide lip  
349 BeN Beryllium mononitride ben  
350 BeN- Beryllium mononitride anion ben-  
351 BeN+ Beryllium mononitride cation ben+  
352 MgN Magnesium Nitride mgn  
353 BN- boron nitride anion bn-  
354 AlN- aluminum mononitride anion aln-  
355 AlN+ aluminum mononitride cation aln+  
356 BP Boron monophosphide bp  
357 AlP Aluminum monophosphide alp  
358 GaN Gallium mononitride gan  
359 GaP Gallium monophosphide gap  
360 GaAs Gallium arsenide gaas  
361 BN boron nitride bn  
362 BN+ boron nitride cation bn+  
363 AlN Aluminum nitride aln  
364 CN Cyano radical cn  
365 CN- cyanide anion cn-  
366 CN+ Cyano cation cn+  
367 CP Carbon monophosphide cp  
368 CP- carbon monophosphide anion cp-  
369 CP+ carbon monophosphide cation cp+  
370 SiN Silicon nitride sin  
371 SiN- silicon mononitride anion sin-  
372 SiN+ silicon mononitride cation sin+  
373 SiP Silicon monophosphide sip  
374 SiP- Silicon monophosphide anion sip-  
375 SiP+ Silicon monophosphide cation sip+  
376 TiN Titanium mononitride tin  
377 N2- nitrogen diatomic anion n2-  
378 N2+ diatomic nitrogen cation n2+  
379 PN Phosphorus mononitride pn  
380 PN- phosphorus nitride anion pn-  
381 PN+ phosphorus nitride cation pn+  
382 P2 Phosphorus diatomic p2  
383 P2- phosphorus diatomic anion p2-  
384 P2+ phosphorus diatomic cation p2+  
385 AsN Arsenic mononitride asn  
386 AsP Arsenic monophosphide asp  
387 SbN Antimony nitride sbn  
388 As2 Arsenic diatomic as2  
389 HNB hydrogen nitrogen boron hnb  
390 HNC hydrogen isocyanide hnc  
391 HCN- Hydrogen cyanide anion hcn-  
392 HCN+ hydrogen cyanide cation hcn+  
393 HNC+ hydrogen isocyanide cation hnc+  
394 HCP Phosphaethyne hcp  
395 HCP+ Phosphaethyne cation hcp+  
396 NNH Dinitrogen monohydride nnh  
397 NNH+ Dinitrogen monohydride cation nnh+  
398 HPO Hydrogen phosphorus oxide hpo  
399 HPO+ Hydrogen phosphorus oxide cation hpo+  
400 LiNH2 lithium amide linh2  
401 HBNH Boranimine hbnh  
402 CNH2 Aminomethylidyne radical cnh2  
403 CNH2+ N-protonated hydrogen isocyanide cnh2+  
404 H2CN Dihydrogen cyanide radical h2cn  
405 H2CN+ hydrocyanonium cation h2cn+  
406 HCNH methyleneazane hcnh  
407 HCNH+ N-protonated HCN hcnh+  
408 H2NN Isodiazene h2nn  
409 N2H2 (E)-diazene n2h2  
410 N2H2 (Z)-Diazene n2h2z  
411 N2H2+ trans-diazene cation n2h2+  
412 CH2NH Methanimine ch3n  
413 CH2NH+ Methanimine cation ch2nh+  
414 CHNH2 aminomethylene chnh2  
415 CHNH2+ Aminocarbene cation chnh2+  
416 CH2PH Phosphaethene ch3p  
417 BH2NH2 Boranamine bh2nh2  
418 CH2NH2+ methyleneamine cation ch2nh2+  
419 N2H4 Hydrazine n2h4  
420 N2H4+ hydrazine cation n2h4+  
421 P2H4 Diphosphine p2h4  
422 CH3NH2 methyl amine ch3nh2  
423 CH3NH2+ methyl amine cation ch3nh2+  
424 CH3PH2 Methyl phosphine ch3ph2  
425 SiH3NH2 Silane, amino sih3nh2  
426 N2H5+ protonated hydrazine n2h5+  
427 BH3PH3 borane phosphine bh3ph3  
428 BH3NH3 borane ammonia bh3nh3  
429 CH3NH3 methyl ammonium radical ch3nh3  
430 CH3NH3+ protonated methylamine ch3nh3+  
431 CH3PH3+ methyl phosphine, protonated ch3ph3+  
432 NH3NH3 Ammonia Dimer nh3nh3  
433 N2H7+ ammonia ammonium dimer n2h7+  
434 LiO lithium oxide lio  
435 LiO- lithium oxide anion lio-  
436 LiO+ lithium oxide cation lio+  
437 LiS Lithium monosulfide lis  
438 LiS+ Lithium sulfide cation lis+  
439 NaO sodium monoxide nao  
440 NaO- sodium oxide anion nao-  
441 NaO+ sodium oxide cation nao+  
442 KO Potassium monoxide ko  
443 KO+ Potassium monoxide cation ko+  
444 NaS Sodium sulfide nas  
445 CuO Copper Monoxide cuo  
446 LiSe Lithium monoselenide lise  
447 BeO beryllium oxide beo  
448 BeO- Beryllium monoxide anion beo-  
449 BeO+ Beryllium monoxide cation beo+  
450 BeS beryllium sulfide bes  
451 MgO magnesium oxide mgo  
452 MgO- magnesium oxide anion mgo-  
453 MgO+ magnesium oxide cation mgo+  
454 CaO Calcium monoxide cao  
455 MgS magnesium sulfide mgs  
456 MgS- magnesium sulfide anion mgs-  
457 MgS+ magnesium sulfide cation mgs+  
458 CaS Calcium sulfide cas  
459 ZnO zinc monoxide zno  
460 ZnS Zinc sulfide zns  
461 BeS- Beryllium monosulfide anion bes-  
462 BeS+ Beryllium monosulfide cation bes+  
463 BO boron monoxide bo  
464 BO- boron monoxide anion bo-  
465 AlO Aluminum monoxide alo  
466 AlO- Aluminum monoxide anion alo-  
467 AlO+ aluminum monoxide cation alo+  
468 BS boron sulfide bs  
469 BS- boron monosulfide anion bs-  
470 BS+ boron monosulfide cation bs+  
471 AlS Aluminum sulfide als  
472 AlS- aluminum monosulfide anion als-  
473 AlS+ aluminum monosulfide cation als+  
474 ScO Scandium monoxide sco  
475 GaO Gallium monoxide gao  
476 GaS Gallium monosulfide gas  
477 BO+ boron monoxide cation bo+  
478 CO- carbon monoxide anion co-  
479 CO+ carbon monoxide cation co+  
480 CS- carbon monosulfide anion cs-  
481 CS+ carbon monosulfide cation cs+  
482 SiO Silicon monoxide sio  
483 SiO- silicon monoxide anion sio-  
484 SiO+ silicon monoxide cation sio+  
485 SiS silicon monosulfide sis  
486 SiS- silicon monosulfide anion sis-  
487 SiS+ silicon monosulfide cation sis+  
488 TiO Titanium monoxide tio  
489 CSe Carbon monoselenide cse  
490 CSe- Carbon monoselenide anion cse-  
491 CSe+ Carbon monoselenide cation cse+  
492 GeO Germanium monoxide geo  
493 GeO+ Germanium monoxide cation geo+  
494 GeS Germanium monosulfide ges  
495 SiSe Silicon Monoselenide sise  
496 SiSe+ Silicon Monoselenide cation sise+  
497 GeSe Germanium monoselenide gese  
498 NO- nitric oxide anion no-  
499 NO+ nitric oxide cation no+  
500 NS Mononitrogen monosulfide ns  
501 NS- nitrogen sulfide anion ns-  
502 NS+ nitrogen sulfide cation ns+  
503 PO Phosphorus monoxide po  
504 PO- phosphorus monoxide anion po-  
505 PO+ phosphorus monoxide cation po+  
506 PS phosphorus sulfide ps  
507 PS- phosphorus monosulfide anion ps-  
508 PS+ phosphorus monosulfide cation ps+  
509 VO Vanadium monoxide vo  
510 AsO Arsenic monoxide aso  
511 NSe Nitrogen monoselenide nse  
512 AsS Arsenic monosulfide ass  
513 PSe Phosphorus monoselenide pse  
514 AsSe Arsenic monoselenide asse  
515 O2- oxygen diatomic anion o2-  
516 O2-- dioxygen dianion o2--  
517 O2+ diatomic oxygen cation o2+  
518 SO Sulfur monoxide so  
519 SO- sulfur monoxide anion so-  
520 SO+ sulfur monoxide cation so+  
521 S2 Sulfur diatomic s2  
522 S2- sulfur diatomic anion s2-  
523 S2+ sulfur diatomic cation s2+  
524 SeO Selenium monoxide seo  
525 SeO- selenium monoxide anion seo-  
526 SeO+ selenium monoxide cation seo+  
527 SeS Selenium monosulfide ses  
528 SeS- selenium monosulfide anion ses-  
529 SeS+ selenium monosulfide cation ses+  
530 TeO Tellurium monoxide teo  
531 Se2 Selenium diatomic se2  
532 Se2- selenium diatomic anion se2-  
533 Se2+ selenium diatomic cation se2+  
534 Te2 Tellurium diatomic te2  
535 LiOH lithium hydroxide lioh  
536 NaOH sodium hydroxide naoh  
537 KOH Potassium hydroxide koh  
538 BeOH beryllium monohydroxide beoh  
539 MgOH magnesium hydroxide mgoh  
540 CaOH Calcium monohydroxide caoh  
541 HBO Boron hydride oxide hbo  
542 HBS hydrogen boron sulfide hbs  
543 COH Hydroxymethylidyne coh  
544 COH+ Carbon Monoxide, protonated coh+  
545 HCO Formyl radical hco  
546 HCO- formyl anion hco-  
547 HCO+ Formyl cation hco+  
548 HCS Thioformyl radical hcs  
549 HCS- Thioformyl anion hcs-  
550 HCS+ Thioformyl cation hcs+  
551 HNO Nitrosyl hydride hno  
552 HNO- Nitrosyl hydride anion hno-  
553 HNO+ Nitrosyl hydride cation hno+  
554 NOH Hydroxyimidogen noh  
555 NOH+ O-protonated nitric oxide noh+  
556 HNS Sulfur imide hns  
557 HNS- Sulfur imide anion hns-  
558 HO2- Hydroperoxy anion ho2-  
559 HO2+ Hydroperoxy cation ho2+  
560 HSO+ Sulfur Monoxide, S-protonated HSO+  
561 SOH Sulfur Hydroxide soh  
562 SOH+ Sulfur Monoxide, protonated soh+  
563 HS2 Thiosulfeno radical hs2  
564 H2CO- formaldehyde anion h2co-  
565 H2CO+ formaldehyde cation h2co+  
566 HOCH hydroxycarbene hoch  
567 H2CS Thioformaldehyde h2cs  
568 H2CS- thioformaldehyde anion h2cs-  
569 H2CS+ thioformaldehyde cation h2cs+  
570 H2CSe Selenoformaldehyde h2cse  
571 H2NO nitroxide h2no  
572 H2O2 Hydrogen peroxide h2o2  
573 H2O2+ Hydrogen peroxide cation h2o2+  
574 H2OO water oxide h2oo  
575 HOSH hydrogen thioperoxide hosh  
576 H2S2 Disulfane h2s2  
577 H2S2+ hydrogen disulfide cation h2s2+  
578 H2Se2 hydrogen diselenide h2se2  
579 CH2OH Hydroxymethyl radical ch2oh  
580 CH2OH+ hydroxymethyl cation ch2oh+  
581 CH3O Methoxy radical ch3o  
582 CH3O- methoxy anion ch3o-  
583 CH3O+ Methoxy cation ch3o+  
584 CH3S thiomethoxy ch3s  
585 H2CSH+ Thioformaldehyde, protonated h2csh+  
586 NH2OH hydroxylamine nh2oh  
587 NH2OH+ Hydroxylamine cation nh2oh+  
588 NH3O Ammonia Oxide nh3o  
589 H2POH Phosphinous acid h2poh  
590 H3PO Phosphine oxide h3po  
591 NH2SH Thiohydroxylamine nh2sh  
592 NH3S sulfidoazane nh3s  
593 H3O2+ hydrogen peroxide, protonated h3o2+  
594 CH3OH Methyl alcohol ch3oh  
595 CH3OH- Methyl alcohol anion ch3oh-  
596 CH3OH+ Methyl alcohol cation ch3oh+  
597 CH3SH Methanethiol ch3sh  
598 CH3SH+ Methanethiol cation ch3sh+  
599 SiH3OH silanol sih3oh  
600 CH3SeH Methane selenol ch3seh  
601 NH2OH2+ protonated hydroxylamine nh2oh2+  
602 NH3OH+ N-protonated hydroxylamine nh3oh+  
603 H2OH2O water dimer h2oh2o  
604 CH3OH2+ Methanol, protonated ch3oh2+  
605 CH3SH2+ protonated methylsulfide ch3sh2+  
606 H2ONH3 Water Ammonia Dimer h2onh3  
607 H5O2+ Dihydroxonium ion h5o2+  
608 LiF lithium fluoride lif  
609 LiCl lithium chloride licl  
610 LiCl- lithium chloride anion licl-  
611 LiCl+ lithium chloride cation licl+  
612 NaF sodium fluoride naf  
613 NaF- sodium fluoride anion naf-  
614 NaF+ sodium fluoride cation naf+  
615 KF Potassium Fluoride kf  
616 NaCl Sodium Chloride nacl  
617 NaCl- sodium chloride anion nacl-  
618 NaCl+ sodium chloride cation nacl+  
619 KCl Potassium Chloride kcl  
620 CuF Copper monofluoride cuf  
621 LiBr Lithium Bromide libr  
622 LiBr- lithium bromide anion libr-  
623 LiBr+ lithium bromide cation libr+  
624 CuCl Copper monochloride cucl  
625 NaBr Sodium Bromide nabr  
626 NaBr- sodium bromide anion nabr-  
627 NaBr+ sodium bromide cation nabr+  
628 KBr Potassium Bromide kbr  
629 LiI Lithium Iodide lii  
630 NaI Sodium Iodide nai  
631 KI Potassium Iodide ki  
632 LiF- lithium fluoride anion lif-  
633 LiF+ lithium fluoride cation lif+  
634 BeF Beryllium monofluoride bef  
635 BeF- Beryllium monofluoride anion bef-  
636 BeF+ Beryllium monofluoride cation bef+  
637 BeCl beryllium monochloride becl  
638 MgF Magnesium monofluoride mgf  
639 MgF- magnesium fluoride anion mgf-  
640 MgF+ magnesium fluoride cation mgf+  
641 CaF Calcium monofluoride caf  
642 MgCl magnesium monochloride mgcl  
643 MgCl- magnesium monochloride anion mgcl-  
644 MgCl+ magnesium monochloride cation mgcl+  
645 CaCl calcium monochloride cacl  
646 TiCl Titanium Monochloride ticl  
647 ZnF Zinc monofluoride znf  
648 ZnF- Zinc monofluoride anion znf-  
649 ZnF+ Zinc monofluoride cation znf+  
650 ZnCl Zinc monochloride zncl  
651 CaBr Calcium monobromide cabr  
652 BeCl- beryllium monochloride anion becl-  
653 BeCl+ beryllium monochloride cation becl+  
654 BF- Boron monofluoride anion bf-  
655 BF+ Boron monofluoride cation bf+  
656 AlF Aluminum monofluoride alf  
657 AlF- Aluminum monofluoride anion alf-  
658 AlF+ Aluminum monofluoride cation alf+  
659 BCl boron monochloride bcl  
660 BCl- boron monochloride anion bcl-  
661 BCl+ boron monochloride cation bcl+  
662 AlCl Aluminum monochloride alcl  
663 AlCl- aluminum monochloride anion alcl-  
664 AlCl+ aluminum monochloride cation alcl+  
665 ScF Scandium monofluoride scf  
666 BBr Boron monobromide bbr  
667 GaF Gallium monofluoride gaf  
668 GaF+ Gallium monofluoride cation gaf+  
669 AlBr Aluminum monobromide albr  
670 GaCl Gallium monochloride gacl  
671 GaCl+ Gallium monochloride cation gacl+  
672 AlI Aluminum monoiodide ali  
673 GaBr Gallium monobromide gabr  
674 CF Fluoromethylidyne cf  
675 CF- carbon monofluoride anion cf-  
676 CF+ carbon monofluoride cation cf+  
677 CCl carbon monochloride ccl  
678 CCl- carbon monochloride anion ccl-  
679 CCl+ carbon monochloride cation ccl+  
680 SiF silicon monofluoride sif  
681 SiF- silicon monofluoride anion sif-  
682 SiF+ silicon monofluoride cation sif+  
683 SiCl Clorosilylidyne sicl  
684 SiCl- silicon monochloride anion sicl-  
685 SiCl+ silicon monochloride cation sicl+  
686 CBr Carbon monobromide cbr  
687 GeF Germanium monofluoride gef  
688 GeF+ Germanium monofluoride cation gef+  
689 GeCl Germanium monochloride gecl  
690 GeCl+ Germanium monochloride cation gecl+  
691 SiBr Silicon monobromide sibr  
692 SiBr+ Silicon monobromide cation sibr+  
693 NF nitrogen fluoride nf  
694 NF- nitrogen monofluorine anion nf-  
695 NF+ nitrogen monofluoirde cation nf+  
696 NCl nitrogen monochloride ncl  
697 NCl- nitrogen monochloride anion ncl-  
698 NCl+ nitrogen monochloride cation ncl+  
699 PF phosphorus monofluoride pf  
700 PF- phosphorus monofluoride anion pf-  
701 PF+ phosphorus monofluoride cation pf+  
702 PCl phosphorus chloride pcl  
703 PCl- phosphorus monochloride anion pcl-  
704 PCl+ phosphorus monochloride cation pcl+  
705 AsF Arsenic monofluoride asf  
706 NBr nitrogen monobromide nbr  
707 AsCl Arsenic monochloride ascl  
708 PBr Phosphorus monobromide pbr  
709 SbF Antimony monofluoride sbf  
710 SbCl Antimony monochloride sbcl  
711 FO Oxygen monofluoride fo  
712 FO- flourine oxide anion fo-  
713 FO+ fluorine monoxide cation fo+  
714 ClO Monochlorine monoxide clo  
715 ClO- chlorine monoxide anion clo-  
716 ClO+ chlorine monoxide cation clo+  
717 SF Monosulfur monofluoride sf  
718 SF- sulfur monofluoride anion sf-  
719 SF+ sulfur monofluoride cation sf+  
720 SCl sulfur monochloride scl  
721 SCl- sulfur monochloride anion scl-  
722 SCl+ sulfur monochloride cation scl+  
723 BrO Bromine monoxide bro  
724 BrO- Bromine monoxide anion bro-  
725 BrO+ Bromine monoxide cation bro+  
726 SeF Selenium monofluoride sef  
727 SBr Sulfur monobromide radical sbr  
728 SBr+ Sulfur monobromide cation sbr+  
729 SeCl Selenium monochloride secl  
730 IO Iodine monoxide io  
731 SeBr Selenium monobromide sebr  
732 BrCl Bromine monochloride brcl  
733 F2- flourine diatomic anion f2-  
734 F2+ flourine diatomic cation f2+  
735 ClF Chlorine monofluoride clf  
736 ClF- clorine monofluoride anion clf-  
737 ClF+ clorine monofluoride cation clf+  
738 Cl2- chlorine diatomic anion cl2-  
739 Cl2+ chlorine diatomic cation cl2+  
740 BrF Bromine monofluoride brf  
741 BrF- bromine fluoride anion brf-  
742 BrF+ bromine fluoride cation brf+  
743 BrCl- bromine chloride anion brcl-  
744 BrCl+ bromine chloride cation brcl+  
745 IF Iodine monofluoride if  
746 Br2 Bromine diatomic br2  
747 Br2- bromine diatomic anion br2-  
748 Br2+ bromine diatomic cation br2+  
749 ICl Iodine monochloride icl  
750 IBr Iodine monobromide ibr  
751 I2 Iodine diatomic i2  
752 I2+ Iodine diatomic cation i2+  
753 HCF Fluoromethylene hcf  
754 HCCl Chloromethylene hccl  
755 HSiF fluorosilylene hsif  
756 HSiCl Chlorosilylene hsicl  
757 HSiBr monobromosilylene hsibr  
758 CHBr bromomethylene chbr  
759 HOF Hypofluorous acid hfo  
760 DOCl Hypochlorous acid-d docl  
761 HOCl hypochlorous acid hocl  
762 HOCl+ hypochlorous acid cation hocl+  
763 HOBr Hypobromous acid hobr  
764 HOBr+ Hypobromous acid cation hobr+  
765 HOI Hypoiodous acid hoi  
766 F2H+ Fluorine, protonated f2h+  
767 FHF Hydrogen difluoride fhf  
768 FHF- Hydrogen difluoride anion fhf-  
769 ClFH+ Chlorine fluoride, F-protonated clfh+  
770 FClH+ Chlorine fluoride, Cl-protonated fclh+  
771 Cl2H+ Chlorine, protonated cl2h+  
772 CH2Br bromomethyl radical ch2br  
773 CH2F fluoromethyl radical ch2f  
774 CH2F+ fluoromethyl cation ch2f+  
775 CH2Cl+ chloromethyl cation ch2cl+  
776 CH2Cl chloromethyl radical ch2cl  
777 NH2F monofluoroamine nh2f  
778 NH2Cl chloramine nh2cl  
779 H2F2 Hydrogen fluoride dimer h2f2  
780 CH3F+ methyl fluoride cation ch3f+  
781 CD3F methylfluoride-d3 cd3f  
782 CH3F Methyl fluoride ch3f  
783 CD3Cl methyl chloride d3 cd3cl  
784 CH3Cl Methyl chloride ch3cl  
785 CH3Cl+ Methyl chloride cation ch3cl+  
786 SiH3F monofluorosilane sih3f  
787 SiH3Cl chlorosilane sih3cl  
788 CH3Br methyl bromide ch3br  
789 GeH3F monofluorogermane geh3f  
790 GeH3Cl monochlorogermane geh3cl  
791 SiH3Br bromosilane sih3br  
792 CH3I methyl iodide ch3i  
793 SiH3I Silyl Iodide sih3i  
794 NH3Cl+ protonated monochloroammonia nh3cl+  
795 CH3ClH+ methyl chloride, protonated ch3clh+  
796 NH4Cl Ammonium chloride nh4cl  
797 LiNe+ Lithium Neon cation line+  
798 Ne2 Neon diatomic ne2  
799 Ne2+ Neon diatomic cation ne2+  
800 Ar2 Argon diatomic ar2  
801 Ar2+ Argon diatomic cation ar2+  
802 Li3 Lithium trimer li3  
803 Li3+ Lithium trimer cation li3+  
804 C3 carbon trimer c3  
805 C3+ carbon trimer cation c3+  
806 SiC2 Silicon dicarbide sic2  
807 C3H3 cyclopropenyl radical cpr  
808 C3H3 Propargyl radical propargyl  
809 C3H3- Propargyl anion c3h3-  
810 C3H3+ cyclopropenyl cation cpr+  
811 C3H3+ Propargyl cation c3h3+  
812 C3H4 cyclopropene cprop  
813 CH2CCH2 allene allene  
814 CH3CCH propyne propyne  
815 C3H5+ Allyl cation allyl+  
816 CH3CHCH 1-propenyl radical ch3chch  
817 Zn(CH3)2 dimethyl zinc dmz  
818 C3H7 n-Propyl radical npropyl  
819 C3H7+ cyclopropane, protonated c3h7+  
820 CH3CHCH3 Isopropyl radical isopropyl  
821 CH3CHCH3+ Isopropyl cation prop2yl+  
822 C3H8 Propane propane  
823 SiH2(CH3)2 dimethylsilane dms  
824 Si3H8 trisilane si3h8  
825 LiCN lithium cyanide licn  
826 NaCN Sodium Cyanide nacn  
827 KCN Potassium cyanide kcn  
828 CuCN Copper cyanide cucn  
829 ZnCN Zinc monocyanide zncn  
830 ZnNC Zinc isocyanide znnc  
831 AlCN Aluminum monocyanide alcn  
832 AlNC Aluminum isocyanide alnc  
833 CN2 3H-Diazirin-3-ylidene cn2  
834 CNN Diazocarbene cnn  
835 NCN Cyanoimidogen ncn  
836 N3 azide radical n3  
837 N3- azide anion n3-  
838 N3+ azide cation n3+  
839 HCCN cyanomethylene hccn  
840 HCNN diazomethyl radical hcnn  
841 HN3 hydrogen azide hn3  
842 HN3+ Hydrazoic acid cation hn3+  
843 HNCNH diiminomethane hncnh  
844 CH2N2 diazirine ch2n2  
845 CH2NN diazomethane ch2nn  
846 NH2CN cyanamide cyanamide  
847 HNNNH+ 1,2-Triazadienium n2h3+  
848 NH2NN+ hydrazoic acid, protonated nh2nn+  
849 CH3CN Acetonitrile ch3cn  
850 CH3CN- acetonitrile anion ch3cn-  
851 CH3CN+ Acetonitrile cation ch3cn+  
852 CH3NC methyl isocyanide ch3nc  
853 CHNCH2 2H-Azirine c157164  
854 CHNHCH 1H-Azirine chnhch  
855 H2CCNH Ethenimine ch2cnh  
856 H2CNCH methyleneaminomethylene ch2nch  
857 HCCNH2 Ethynamine hccnh2  
858 HCNCH2+ 2H-Azirine cation hcnch2+  
859 HNCNH2+ diiminomethane, protonated hncnh2+  
860 NCNH3+ Cyanamide, protonated ncnh3+  
861 NH2CNH+ cyanamide, cn protonated nh2cnh+  
862 NH3CN+ cyanamide, amine protonated nh3cn+  
863 CH2CHNH vinylazine ch2chnh  
864 CH3CHN methylmethaniminyl radical ch3chn  
865 NHCHNH2 aminomethanimine cn2h4  
866 C2H5N Aziridine c2h5n  
867 CH2CHNH2 aminoethene aminoethene  
868 CH2NCH3 N-methylmethanimine nmm  
869 CH3CHNH ethanimine ethanimine  
870 NH2BHNH2 diaminoborane nh2bhnh2  
871 C2H5NH+ Protonated Aziridine c2h5nh+  
872 C2H6N+ aziridine, protonated c2h6n+  
873 NH2CH2NH2 diaminomethane nh2ch2nh2  
874 CH3CH2NH2 Ethylamine etam  
875 CH3NHCH3 Dimethylamine ch3nhch3  
876 CH3PHCH3 dimethylphosphine ch3phch3  
877 NH2CH2NH3+ diaminoethane, protonated pdam  
878 (CH3)2NH2+ dimethylammonium cation dmam  
879 CH3CH2NH3+ ethylamine, protonated pea  
880 Li2O dilithium oxide li2o  
881 Li2O+ dilithium oxide cation li2o+  
882 Li2S dilithium sulfide li2s  
883 Na2O disodium monoxide na2o  
884 Na2S Sodium sulfide na2s  
885 LiO2 Lithium dioxide lio2  
886 NaO2 Sodium superoxide nao2  
887 CCO Dicarbon monoxide cco  
888 CNO- fulminate cno-  
889 NCO isocyanato radical nco  
890 NCO- cyanate nco-  
891 SCN thiocyanato radical scn  
892 SCN- thiocyanide anion scn-  
893 BO2 Boron dioxide bo2  
894 BO2- Boron dioxide anion bo2-  
895 BO2+ Boron dioxide cation bo2+  
896 N2O Nitrous oxide n2o  
897 N2O- Nitrous oxide anion n2o-  
898 N2O+ Nitrous oxide cation n2o+  
899 NNS Nitrogen sulfide nns  
900 PPO Phosphorus oxide phosphide ppo  
901 CO2- Carbon dioxide anion co2-  
902 CO2+ Carbon dioxide cation co2+  
903 OCS Carbonyl sulfide cos  
904 OCS+ Carbonyl sulfide cation cos+  
905 SiO2 silicon dioxide sio2  
906 CS2 Carbon disulfide cs2  
907 CS2- Carbon disulfide anion cs2-  
908 CS2+ Carbon disulfide cation cs2+  
909 TiO2 Titanium dioxide tio2  
910 SiS2 Silicon disulfide sis2  
911 GeO2 Germanium dioxide geo2  
912 OCSe Carbonyl selenide ocse  
913 SCSe Carbon sulfide selenide scse  
914 GeS2 Germanium disulfide ges2  
915 CSe2 Carbon diselenide cse2  
916 SCTe Carbon sulfide Telluride scte  
917 NO2 Nitrogen dioxide no2  
918 NO2- Nitrogen dioxide anion no2-  
919 NO2+ Nitrogen dioxide cation no2+  
920 NSO sulfinyl amidogen NSO  
921 PO2 Phosphorus dioxide po2  
922 PO2- Phosphorus dioxide anion po2-  
923 PO2+ Phosphorus dioxide cation po2+  
924 SNO Nitrogen oxide sulfide sno  
925 AsO2 Aresenic dioxide aso2  
926 O3 Ozone o3  
927 O3- Ozone anion o3-  
928 O3+ Ozone cation o3+  
929 SO2- Sulfur dioxide anion so2-  
930 SO2+ Sulfur dioxide cation so2+  
931 SSO Disulfur monoxide sso  
932 S3 Sulfur trimer s3  
933 S3- Sulfur trimer anion s3-  
934 S3+ Sulfur trimer cation s3+  
935 SeO2 Selenium dioxide seo2  
936 SeO2+ Selenium dioxide cation seo2+  
937 TeO2 Tellurium Dioxide teo2  
938 HCCO ketenyl radical ketenyl  
939 CS2H+ Carbon disulfide, protonated cs2h+  
940 HCNO fulminic acid hcno  
941 HNCO Isocyanic acid hnco  
942 HOCN cyanic acid hocn  
943 HNCS Isothiocyanic acid hncs  
944 HSCN thiocyanic acid hscn  
945 HCO2- formate anion hco2-  
946 HNNO nitrosoazane hnno  
947 HNNO+ Nitrous oxide, N-protonated hnno+  
948 NNOH+ Nitrous Oxide, O-protonated nnoh+  
949 HCOO formate neutral radical hcoo  
950 HOCO Hydrocarboxyl radical hoco  
951 HOCO+ Hydrocarboxyl cation hoco+  
952 HNO2 Nitrous acid hno2  
953 HNO2+ nitrous acid cation hno2+  
954 O3H+ protonated ozone o3h+  
955 SO2H+ protonated sulfur dioxide so2h+  
956 C2H2O Oxirene oxirene  
957 CH2CO Ketene ch2co  
958 CH2CO+ Ketene cation ch2co+  
959 HCCOH ethynol hccoh  
960 CH2CS Thioketene ch2cs  
961 Be(OH)2 Beryllium hydroxide beo2h2  
962 Mg(OH)2 Magnesium dihydroxide h2mgo2  
963 NH2NO Nitrosamide nh2no  
964 CH2O2 Dioxirane diox  
965 H2COO Dioxymethyl radical h2coo  
966 H2COO+ dioxymethyl cation h2coo+  
967 HCOOH Formic acid ch2o2  
968 H2O3 Hydrogen trioxide h2o3  
969 HSSSH trisulfane hsssh  
970 NaOCH3 Sodium methoxide naoch3  
971 CH2BOH hydroxy(methylene)borane ch2boh  
972 BH3CO Borane carbonyl bh3co  
973 CH3BO Borane, methyloxo- ch3bo  
974 CH2CHO Vinyloxy radical ch2cho  
975 CH2COH+ ketene, protonated ch2coh+  
976 CH3CO- Acetyl anion ch3co-  
977 CH3CO+ acetyl cation ch3co+  
978 CH2NOH formaldoxime ch2noh  
979 CH3NO nitrosomethane ch3no  
980 CHONH2 formamide formamide  
981 CNOH3 1,2-oxaziridine cnoh3  
982 HOCHNH hydroxymethylimine hochnh  
983 CHSNH2 thioformamide chsnh2  
984 NHCHSH Methanimidothioic acid nhchsh  
985 CH2OOH CH2OOH radical ch2ooh  
986 CH3OO methylperoxy radical ch3oo  
987 CH3OO- methylperoxy anion ch3oo-  
988 CH3OO+ methylperoxy cation ch3oo+  
989 C2H4O Ethylene oxide c2h4o  
990 C2H4O+ ethylene oxide cation c2h4o+  
991 CH2CHOH ethenol ch2choh  
992 CH3CHO Acetaldehyde ch3cho  
993 CH3CHO+ acetaldehyde cation ch3cho+  
994 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
995 C2H4S Thiirane thiirane  
996 CH2CHSH Ethenethiol ch2chsh  
997 CH3CHS Thioacetaldehyde ch3chs  
998 H2CONH2+ protonated formamide h2conh2+  
999 NH2CHOH+ Formamide, O-protonated nh2choh+  
1000 NH3CHO+ Formamide, N-Protonated nh3cho+  
1001 CH2(OH)2 methanediol ch2o2h2  
1002 CH3OOH Methyl peroxide ch3ooh  
1003 CH3SSH Hydrogen methyl disulfide ch3ssh  
1004 HSCH2SH Methanedithiol ch4s2  
1005 H2OH2CO water formaldehyde dimer h2oh2co  
1006 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1007 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1008 CH3CH2O Ethoxy radical ethoxy  
1009 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1010 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1011 CH3OCH2 methoxymethyl radical ch3och2  
1012 NH2CH2OH aminomethanol nh2ch2oh  
1013 CH3CH2OH Ethanol etoh  
1014 CH3OCH3 Dimethyl ether meome  
1015 CH3CH2SH ethanethiol etsh  
1016 CH3SCH3 Dimethyl sulfide mesme  
1017 CH3SCH3+ dimethyl sulfide cation mesme+  
1018 CH3SeCH3 dimethylselenide dmse  
1019 CH3OHH2O methanol water dimer ch3ohh2o  
1020 H2OCH3OH water methanol dimer h2och3oh  
1021 CuF2 Copper difluoride cuf2  
1022 ZnF2 Zinc difluoride znf2  
1023 CNF iso cyanogen fluoride cnf  
1024 FCN Cyanogen fluoride fcn  
1025 ClCN chlorocyanogen clcn  
1026 BrCN Cyanogen bromide brcn  
1027 ICN Cyanogen iodide icn  
1028 FBO Boron monofluoride monoxide fbo  
1029 BeF2 Beryllium fluoride bef2  
1030 MgF2 Magnesium fluoride mgf2  
1031 BeCl2 Beryllium chloride becl2  
1032 MgCl2 Magnesium dichloride mgcl2  
1033 CaCl2 Calcium Chloride cacl2  
1034 ZnCl2 Zinc dichloride zncl2  
1035 BeBr2 Beryllium bromide bebr2  
1036 CaBr2 Calcium dibromide cabr2  
1037 CaF2 Calcium difluoride caf2  
1038 FCO Carbonyl fluoride fco  
1039 FCO+ Carbonyl fluoride cation fco+  
1040 ClCO carbonyl monochloride clco  
1041 BF2 Boron difluoride radical bf2  
1042 FNO Nitrosyl fluoride fno  
1043 ClNO Nitrosyl chloride clno  
1044 FNS Thionitrosyl fluoride fns  
1045 FSN Thiazyl fluoride fsn  
1046 OPCl Phosphorus oxychloride opcl  
1047 BrNO Nitrosyl bromide brno  
1048 INO Nitrosyl iodide ino  
1049 CF2 Difluoromethylene cf2  
1050 CF2- Difluoromethylene anion cf2-  
1051 CF2+ Difluoromethylene cation cf2+  
1052 CFCl chlorofluoromethylene cfcl  
1053 SiF2 Silicon difluoride sif2  
1054 SiF2+ Silicon difluoride cation sif2+  
1055 CCl2 dichloromethylene ccl2  
1056 CCl2- dichloromethylene anion ccl2-  
1057 CCl2+ dichloromethylene cation ccl2+  
1058 SiCl2 Dichlorosilylene sicl2  
1059 GeF2 Germanium difluoride gef2  
1060 GeCl2 Germanium dichloride gecl2  
1061 CBr2 dibromomethylene cbr2  
1062 FOO Dioxygen monofluoride radical foo  
1063 FOO+ Fluorine dioxide cation foo+  
1064 ClOO chloroperoxy radical cloo  
1065 ClOO+ chloroperoxy cation cloo+  
1066 OClO Chlorine dioxide oclo  
1067 OClO- Chlorine dioxide anion oclo-  
1068 OClO+ Chlorine dioxide cation oclo+  
1069 ClSO Sulfur chloride oxide clso  
1070 ClS2 Sulfur chloride cls2  
1071 BrOO Bromine dioxide broo  
1072 OBrO Bromine dioxide radical obro  
1073 NF2 Difluoroamino radical nf2  
1074 NF2+ Difluoroamino cation nf2+  
1075 PF2 Phosphorus difluoride pf2  
1076 PF2+ Phosphorus difluoride cation pf2+  
1077 FClO chlorosyl fluoride fclo  
1078 F2O Difluorine monoxide f2o  
1079 ClOF Chlorine hypofluorite clof  
1080 SF2 sulfur difluoride sf2  
1081 SF2- sulfur difluoride anion sf2-  
1082 SF2+ sulfur difluoride cation sf2+  
1083 Cl2O Dichlorine monoxide cl2o  
1084 SCl2 Sulfur dichloride scl2  
1085 SeF2 Selenium difluoride sef2  
1086 BrOCl Bromine hypochlorite brocl  
1087 SeCl2 Selenium Dichloride secl2  
1088 SBr2 Sulfur dibromide sbr2  
1089 SeBr2 Selenium dibromide sebr2  
1090 BrOBr Bromine oxide brobr  
1091 F3- trifluoride anion f3-  
1092 Cl3- trichloride anion cl3-  
1093 Br3- tribromide anion br3-  
1094 I3- triiodide i3-  
1095 SFCl Sulfur chloride fluoride sfcl  
1096 HCCF Fluoroacetylene hccf  
1097 HCCF+ fluoroacetylene cation hccf+  
1098 HCCCl Chloroacetylene hcccl  
1099 HCCBr bromoacetylene hccbr  
1100 HFCO formyl fluoride hfco  
1101 HFCO+ formyl fluoride cation hfco+  
1102 COHCl Formyl chloride cohcl  
1103 COHBr Formyl bromide cohbr  
1104 BHF2 Difluoroborane bhf2  
1105 BHCl2 Borane, dichloro- bhcl2  
1106 CHCl2 dichloromethyl radical chcl2  
1107 CHF2 difluoromethyl radical chf2  
1108 CHF2+ difluoromethyl cation chf2+  
1109 CHFCl Chlorofluoromethyl radical chfcl  
1110 CHFCl+ Chlorofluoromethyl cation chfcl+  
1111 CHCl2+ dichloromethyl cation chcl2+  
1112 CHBr2 dibromomethyl radical chbr2  
1113 HOClO Chlorous acid hoclo  
1114 NHF2 difluoramine nhf2  
1115 NHCl2 dichloroamine nhcl2  
1116 CH2F2 Methane, difluoro- ch2f2  
1117 CH2FCl fluorochloromethane ch2fcl  
1118 SiH2F2 difluorosilane sih2f2  
1119 CH2Cl2 Methylene chloride ch2cl2  
1120 CH2BrF Methane, bromofluoro- ch2fbr  
1121 CH2BrCl Methane, bromochloro- ch2clbr  
1122 CH2FI fluoroiodomethane ch2fi  
1123 CH2Br2 dibromomethane ch2br2  
1124 CH2ClI chloroiodomethane ch2cli  
1125 CH2BrI bromoiodomethane ch2bri  
1126 CH2I2 Diiodomethane ch2i2  
1127 SiH2Cl2 dichlorosilane sih2cl2  
1128 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1129 CH2CHF Ethene, fluoro- ch2chf  
1130 CH2CHF+ fluoroethene cation ch2chf+  
1131 C2H3Cl Ethene, chloro- ch2chcl  
1132 C2H3Br vinyl bromide c2h3br  
1133 C2H3I Vinyl iodide c2h3i  
1134 CH2FOH fluoromethanol ch2foh  
1135 CH3OCl methyl hypochlorite ch3ocl  
1136 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1137 CHClCH3 1-chloroethyl radical chclch3  
1138 C2H5F fluoroethane c2h5f  
1139 CH3CH2Cl Ethyl chloride c2h5cl  
1140 CH3SiFH2 fluoromethylsilane ch3sifh2  
1141 C2H5Br Ethyl bromide etbr  
1142 C2H5I Ethyl iodide c2h5i  
1143 KrF2 Krypton difluoride krf2  
1144 XeF2 Xenon difluoride xef2  
1145 B4H10 Tetraborane(10) b4h10  
1146 C4 Carbon tetramer c4  
1147 C4+ Carbon tetramer cation c4+  
1148 C4H2 Diacetylene c4h2  
1149 C4H2+ diacetlyene cation c4h2+  
1150 C2H3CCH 1-Buten-3-yne c2h3cch  
1151 C4H4 cyclobutadiene cbd  
1152 C4H4 Tetrahedrane c4h4  
1153 H2CCCCH2 Butatriene h2cccch2  
1154 C4H6 1-Methylcyclopropene c3100047  
1155 C4H6 Cyclobutene c822355  
1156 C4H6 Methylenecyclopropane c6142730  
1157 CH2CCHCH3 1,2-Butadiene butad12  
1158 CH2CHCHCH2 1,3-Butadiene c106990  
1159 CH3CCCH3 2-Butyne c503173  
1160 CHCCH2CH3 1-Butyne c107006  
1161 CH3CHCHCH2 methylallyl radical c4h7  
1162 C4H8 methylcyclopropane mcp  
1163 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1164 CH2CHCH2CH3 1-Butene bute1  
1165 CH3CHCHCH3 2-Butene, (E)- bute2e  
1166 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1167 B(CH3)3 trimethylborane bme3  
1168 Al(CH3)3 trimethyl aluminum tma  
1169 C(CH3)3 Tert-butyl radical tbutyl  
1170 CH2CH(CH3)2 Isobutyl radical isobutyl  
1171 CH3CHCH2CH3 2-Butyl radical butyl2  
1172 CH3CH(CH3)CH3 Isobutane isobutane  
1173 CH3CH2CH2CH3 Butane butane  
1174 SiH(CH3)3 trimethylsilane trimsi  
1175 Li3N trilithium nitride li3n  
1176 C2N2 Cyanogen c2n2  
1177 C2N2+ Cyanogen cation c2n2+  
1178 P4 Phosphorus tetramer p4  
1179 As4 Arsenic tetramer as4  
1180 HCCCN Cyanoacetylene hcccn  
1181 HCCCN+ Cyanoacetylene cation hcccn+  
1182 H2CNCN cyanamide, methylene ch2ncn  
1183 HNCCNH Ethenediimine hnccnh  
1184 C3H3N acrylonitrile ch2chcn  
1185 C3H3N+ acrylonitrile cation ch2chcn+  
1186 CH3N3 methyl azide ch3n3  
1187 NH2CCNH2 Diaminoacetylene daa  
1188 NH2CH2CN Aminoacetonitrile aan  
1189 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1190 C2H5CN ethyl cyanide c2h5cn  
1191 CH5N3 Guanidine guanidine  
1192 C4H6 Bicyclo[1.1.0]butane c157335  
1193 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1194 H2NCHCHNH2 diaminoethylene dae  
1195 CH6N3+ guanidinium ch6n3+  
1196 C3H7N Cyclopropylamine cpram  
1197 CH7N3 triaminomethane tam  
1198 C3H7N Azetidine azet  
1199 C4H8 cyclobutane cbutane  
1200 C2H8N2 Ethylenediamine ethdiam  
1201 CH3NHNHCH3 dimethyl hydrazine dmh  
1202 CH3CH(NH2)CH3 2-Propanamine pram2  
1203 N(CH3)3 Trimethylamine trimeam  
1204 NH2CH2CH2CH3 1-Propanamine pram1  
1205 P(CH3)3 trimethylphosphine tmp  
1206 N(SiH3)3 trisilylamine tsa  
1207 As(CH3)3 trimethyl arsine tmas  
1208 (CH3)3NH+ protonated trimethyl amine ptma  
1209 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1210 Li2O2 dilithium dioxide li2o2  
1211 Na2O2 disodium dioxide na2o2  
1212 K2O2 dipotassium dioxide k2o2  
1213 C3O Tricarbon monoxide c3o  
1214 B2O2 Diboron dioxide b2o2  
1215 ONNO NO dimer onno  
1216 S2N2 Disulfur dinitride s2n2  
1217 CO3 Carbon trioxide co3  
1218 CO3-- carbonate co3--  
1219 CS3-- Carbonotrithioate cs3--  
1220 NO3 Nitrogen trioxide no3  
1221 NO3- nitrate anion no3-  
1222 NO3+ nitrogen trioxide cation no3+  
1223 SO3 Sulfur trioxide so3  
1224 SO3- Sulfur trioxide anion so3-  
1225 SO3-- Sulfate dianion so3--  
1226 SO3+ Sulfur trioxide cation so3+  
1227 SeO3 selenium trioxide seo3  
1228 S4 Sulfur tetramer s4  
1229 TeO3 Tellurium trioxide teo3  
1230 HCO3- bicarbonate anion hco3-  
1231 HNO3 Nitric acid hno3  
1232 HSO3 Hydroxysulfonyl radical hso3  
1233 NH2NO2 nitramide nh2no2  
1234 C2H2CO cyclopropenone c2h2co  
1235 C3H2O Propadienal c3h2o  
1236 HCCCHO 2-propynal hcccho  
1237 C2H2O2 Ethanedial c2h2o2  
1238 C2H2O2+ Ethanedial cation c2h2o2+  
1239 H2CO3 Carbonic acid h2co3  
1240 H2CS3 thiocarbonic acid h2cs3  
1241 H2NO3+ Nitric Acid, Protonated h2no3+  
1242 H2SO3 Sulfurous acid h2so3  
1243 C2H3NO Nitrosoethylene c2h3no  
1244 CH3NCO methylisocyante ch3nco  
1245 HOCH2CN cyanomethanol hoch2cn  
1246 CH3COO- acetate anion ch3coo-  
1247 CH3NO2 Methane, nitro- ch3no2  
1248 CH3ONO Methyl nitrite ch3ono  
1249 NH2COOH Carbamic acid nh2cooh  
1250 H3BO3 Boric acid h3bo3  
1251 H3AlO3 Aluminum hydroxide h3alo3  
1252 H3CO3+ carbonic acid, protonated h3co3+  
1253 C3H4O 2-Propyn-1-ol c107197  
1254 C3H4O allenol c9000071  
1255 C3H4O Cyclopropanone cpone  
1256 C3H4O Methylketene c6004440  
1257 CH2CHCHO Acrolein c3h4o  
1258 NH2CONH2 Urea urea  
1259 NH2CONH2+ Urea cation urea+  
1260 NH2CSNH2 Thiourea thiourea  
1261 C2H4O2 1,3-dioxetane c2h4o2  
1262 CH3COOH Acetic acid ch3cooh  
1263 CH3OCHO methyl formate ch3ocho  
1264 CHOCH2OH hydroxy acetaldehyde haa  
1265 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1266 NH3COOH+ protonated Carbamic acid nh3cooh+  
1267 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1268 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1269 HCOOHH2O Formic acid water dimer hcoohh2o  
1270 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1271 CH3COCH2 Acetonyl radical ch3coch2  
1272 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1273 CH3C(OH)=NH Ethaninidic acid eia  
1274 CH3CHNOH Acetaldoxime acetaldoxime  
1275 CH3CONH2 Acetamide acetamide  
1276 HCONHCH3 N-methylformamide nmfa  
1277 CH3CSNH2 Ethanethioamide ch3csnh2  
1278 CH5N2O+ urea, N-protonated ch4n2o+  
1279 H2NCOHNH2+ urea, protonated ureah+  
1280 C2H5OO ethylperoxy radical c2h5oo  
1281 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1282 C3H5OH Cyclopropanol cproh  
1283 C3H6O 2-Propen-1-ol c107186  
1284 C3H6O Acetone enol enol  
1285 C3H6O Oxetane oxetane  
1286 C3H6O Propylene oxide prox  
1287 CH3CH2CHO Propanal propanal  
1288 CH3COCH3 Acetone acetone  
1289 CH3COCH3- acetone anion ch3coch3-  
1290 C3H6S Thietane thietane  
1291 C3H6S Thiirane, methyl- methiirane  
1292 CH3CSCH3 Thioacetone ch3csch3  
1293 C2H6O2 1,2-Ethanediol ethdiol  
1294 CH3OOCH3 dimethylperoxide dmp  
1295 CH3SOCH3 Dimethyl sulfoxide dmso  
1296 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1297 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1298 CH3COHCH3+ acetone, protonated acetoneh+  
1299 HOCH2CH2NH2 monoethanolamine mea  
1300 C3H7OH 1-Propanol proh  
1301 CH3CHOHCH3 Isopropyl alcohol isoproh  
1302 CH3OC2H5 Ethane, methoxy- etome  
1303 C3H7SH 1-Propanethiol prsh  
1304 CH3CHSHCH3 2-Propanethiol isoprsh  
1305 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1306 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1307 Li2F2 Lithium fluoride dimer li2f2  
1308 Na2F2 Sodium Fluoride Dimer na2f2  
1309 Na2Cl2 Disodium dichloride na2cl2  
1310 C2F2 difluoroacetylene c2f2  
1311 C2Cl2 dichloroacetylene c2cl2  
1312 C2Cl2+ dichloroacetylene cation c2cl2+  
1313 FNO2 Nitryl fluoride fno2  
1314 FONO Nitrosyl hypofluorite fono  
1315 ClNO2 Nitryl chloride clno2  
1316 ClONO chlorine nitrite clono  
1317 BrONO Bromine nitrite brono  
1318 N2F2 (Z)-Difluorodiazene n2f2_z  
1319 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1320 CF2O Carbonic difluoride f2co  
1321 CF2O+ Carbonic difluoride cation f2co+  
1322 COFCl Carbonic chloride fluoride cofcl  
1323 CCl2O Phosgene cl2co  
1324 Cl2CS Thiophosgene cl2cs  
1325 COBr2 Carbonic dibromide cobr2  
1326 BF3- Borane, trifluoro- anion bf3-  
1327 BF3+ boron trifluoride cation bf3+  
1328 BClF2 Chlorodifluoroborane bclf2  
1329 AlF2Cl Aluminum chloride difluoride alclf2  
1330 ScF3 Scandium trifluoride ScF3  
1331 AlFCl2 Aluminum dichloride fluoride alcl2f  
1332 BCl3 Borane, trichloro- bcl3  
1333 BCl3+ Boron Trichloride cation bcl3+  
1334 GaF3 Gallium trifluoride gaf3  
1335 AlCl3 Aluminum trichloride alcl3  
1336 GaCl3 Gallium trichloride gacl3  
1337 BBr3 Boron tribromide bbr3  
1338 AlBr3 Aluminum Bromide albr3  
1339 ClO3 Chlorine trioxide clo3  
1340 ClO3- chlorate anion clo3-  
1341 BrO3- Bromate anion bro3-  
1342 CF3 Trifluoromethyl radical cf3  
1343 CF3- Trifluoromethyl anion cf3-  
1344 CF3+ Trifluoromethyl cation cf3+  
1345 CF2Cl difluorochloromethyl radical cf2cl  
1346 SiF3 Silicon trifluoride radical sif3  
1347 SiF3+ Silicon trifluoride cation sif3+  
1348 CFCl2 dichlorofluoromethyl radical cfcl2  
1349 CCl3 Trichloromethyl radical ccl3  
1350 CCl3- Trichloromethyl anion ccl3-  
1351 CCl3+ Trichloromethyl cation ccl3+  
1352 SiCl3 trichlorosilyl radical sicl3  
1353 SiCl3+ trichlorosilyl cation sicl3+  
1354 CBr3 tribromomethyl radical cbr3  
1355 FOOF Perfluoroperoxide foof  
1356 ClO2F Chloryl fluoride clo2f  
1357 F2SO Thionyl Fluoride f2so  
1358 ClOOCl Dichlorine dioxide cloocl  
1359 FSSF Difluorodisulfane fssf  
1360 S2F2 Thio-thionyl fluoride s2f2  
1361 SOCl2 thionyl chloride socl2  
1362 SSCl2 Thiothionyl chloride sscl2  
1363 SeOCl2 selenium oxychloride seocl2  
1364 NF3 Nitrogen trifluoride nf3  
1365 NF3- Nitrogen trifluoride anion nf3-  
1366 NF3+ Nitrogen trifluoride cation nf3+  
1367 PF3 Phosphorus trifluoride pf3  
1368 NCl3 nitrogen trichloride ncl3  
1369 AsF3 Arsenic trifluoride asf3  
1370 PCl3 Phosphorus trichloride pcl3  
1371 SbF3 Antimony Trifluoride sbf3  
1372 AsCl3 Arsenous trichloride ascl3  
1373 SbCl3 Antimony Trichloride sbcl3  
1374 NBr3 Nitrogen Tribromide nbr3  
1375 PBr3 Phosphorus tribromide pbr3  
1376 AsBr3 Arsenic tribromide asbr3  
1377 NI3 Nitrogen triiodide ni3  
1378 PI3 Phosphorus triiodide pi3  
1379 ClSSCl Disulfur dichloride s2cl2  
1380 SF3 Sulfur trifluoride sf3  
1381 ClF3 Chlorine trifluoride clf3  
1382 BrF3 Bromine trifluoride brf3  
1383 IF3 iodone trifluoride if3  
1384 HClO3 Chloric Acid hclo3  
1385 CHF3 Methane, trifluoro- chf3  
1386 CHF2Cl difluorochloromethane chf2cl  
1387 SiHF3 trifluorosilane sihf3  
1388 CHFCl2 fluorodichloromethane chfcl2  
1389 CDCl3 trichloromethane-d cdcl3  
1390 CHCl3 Chloroform chcl3  
1391 CHBrF2 Methane, bromodifluoro- chbrf2  
1392 SiHCl3 Trichlorosilane sihcl3  
1393 CHFClBr fluorochlorobromomethane chfclbr  
1394 CHBrCl2 Methane, bromodichloro- chbrcl2  
1395 CHF2I difluoroiodomethane chf2i  
1396 CHBr2F dibromofluoromethane chbr2f  
1397 CHFClI fluorochloroiodomethane chfcli  
1398 CHCl2I dichloroiodomethane chcl2i  
1399 CHClBr2 Methane, dibromochloro- chclbr2  
1400 CHBr3 bromoform chbr3  
1401 CHI3 Iodoform chi3  
1402 NF3H+ protonated nitrogen trifluoride nf3h+  
1403 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1404 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1405 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1406 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1407 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1408 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1409 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1410 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1411 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1412 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1413 C2H2Br2 1,1-dibromoethene c2h2br2  
1414 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1415 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1416 CH2FCHO Fluoroacetaldehyde ch2fcho  
1417 CH3COF Acetyl fluoride ch3cof  
1418 CH2ClCHO chloroacetaldehyde ch2clcho  
1419 CH3COCl Acetyl Chloride ch3cocl  
1420 C2H4F2 1,2-difluoroethane c2h4f2  
1421 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1422 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1423 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1424 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1425 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1426 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1427 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1428 CH2CFCH3 2-fluoropropene 2fpro  
1429 CH2CHCH2F Allyl Fluoride allylf  
1430 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1431 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1432 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1433 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1434 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1435 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1436 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1437 CH2FCH2CH3 1-Fluoropropane prf1  
1438 CH3CHFCH3 2-Fluoropropane prf2  
1439 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1440 CH3CHClCH3 Propane, 2-chloro- prcl2  
1441 CH3CH2CH2Br n-propyl bromide prbr  
1442 CH3CHBrCH3 i-propyl bromide iprbr  
1443 C3H9O+ trimethyl oxonium cation c3h9o+  
1444 B5H9 pentaborane9 b5h9  
1445 C5H4 pentatetraene ptrene  
1446 C5H5 cyclopentadienyl radical c5h5  
1447 C5H5- cylopentadienyl anion c5h5-  
1448 C5H6 1,3-Cyclopentadiene c542927  
1449 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1450 C5H6 3-Penten-1-yne, (E)- c2004695  
1451 C5H6 3-Penten-1-yne, (Z)- c1574409  
1452 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1453 C5H6 Cyclopropylacetylene c6746947  
1454 C5H6 Propellane propellane  
1455 C5H7 1,3-pentadienyl radical pdyl  
1456 C5H7 cyclopentenyl radical cpyl  
1457 C5H8 1,2-Butadiene, 3-methyl- c598254  
1458 C5H8 1,2-Pentadiene c591957  
1459 C5H8 1,3-Butadiene, 2-methyl- c78795  
1460 C5H8 1,3-Pentadiene, (E)- c2004708  
1461 C5H8 1,3-Pentadiene, (Z)- c1574410  
1462 C5H8 1,4-Pentadiene c591935  
1463 C5H8 1-pentyne a1pentyne  
1464 C5H8 2,3-Pentadiene c591968  
1465 C5H8 Bicyclo[1.1.1]pentane bcp  
1466 C5H8 Cyclobutane, methylene- c1120565  
1467 C5H8 Cyclopentene c142290  
1468 C5H8 Ethenylcyclopropane c693867  
1469 CH3CCCH2CH3 2-Pentyne 2pentyne  
1470 C5H10 1-Butene, 2-methyl- c563462  
1471 C5H10 2-Butene, 2-methyl- c513359  
1472 C5H10 2-Pentene, (E)- c646048  
1473 C5H10 2-Pentene, (Z)- c627203  
1474 C5H10 Cyclopentane c287923  
1475 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1476 CH2CHCH2CH2CH3 1-pentene pentene  
1477 C5H11 2-Methylbut-2-yl radical c4348350  
1478 C5H12 Butane, 2-methyl- buta2  
1479 C5H12 Pentane pentane  
1480 C5H12 Propane, 2,2-dimethyl- neopentane  
1481 Si(CH3)4 tetramethylsilane tms  
1482 N2O3 Dinitrogen trioxide n2o3  
1483 C3H2N2 Malononitrile c3h2n2  
1484 CH2N4 1H-Tetrazole 1htz  
1485 C3H3N2 imidazolyl radical im  
1486 C3H3N2- imidizolyl anion im-  
1487 C2H3N3 1H-1,2,4-Triazole c288880  
1488 C4H4N pyrrolide radical c4h4n  
1489 C4H4N- pyrrolide anion c4h4n-  
1490 C3H4N2 1H-Imidazole 1himidaz  
1491 C3H4N2 1H-Pyrazole 1hpyraz  
1492 C3H4N2 2H-Imidazole imid2h  
1493 C3H4N2 4H-Imidazole imid4h  
1494 C4H5N (E)-2-Butenenitrile c627269  
1495 C4H5N (Z)-2-Butenenitrile c1190767  
1496 C4H5N 2H-pyrrole pyrrole2  
1497 C4H5N 3H-pyrrole pyrrole3  
1498 C4H5N Cyclopropanecarbonitrile c5500210  
1499 C4H5N Pyrrole pyrrole  
1500 CH2CHCH2CN Allylcyanide ch2chch2cn  
1501 C4H6N+ pyrrole, alpha-protonated appyr  
1502 C4H6N+ pyrrole, beta-protonated bppyr  
1503 C4H6N+ pyrrole, protonated ppyr  
1504 C3H6N2 3-Aminopropionitrile c151188  
1505 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1506 CH3CH2CH2CN Butanenitrile c109740  
1507 C5H8 Bicyclo[2.1.0]pentane c185944  
1508 C5H8 Spiropentane c157404  
1509 C4H9N Cyclobutylamine cbam  
1510 C4H9N Pyrrolidine pyrrolidine  
1511 C3H10N2 1,2-Diaminopropane diampr12  
1512 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1513 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1514 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1515 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1516 NH(C2H5)2 diethylamine dea  
1517 NC4H12+ tetramethyl ammonium cation nc4h12+  
1518 C3O2 Carbon suboxide c3o2  
1519 C3O2+ Carbon suboxide cation c3o2+  
1520 B2O3 diboron trioxide b2o3  
1521 MgCO3 Magnesium Carbonate mgco3  
1522 BeCO3 Beryllium Carbonate beco3  
1523 CaCO3 Calcium Carbonate caco3  
1524 ONONO Nitrosyl nitrite onono  
1525 PO4--- phosphate po4---  
1526 SO4-- sulfate so4--  
1527 HOONO2 peroxy nitric acid hoono2  
1528 HSO4- bisulfate anion hso4-  
1529 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1530 C3H2O2 Propiolic acid c3h2o2  
1531 CHOCOOH oxo acetic acid oaa  
1532 CHOOCHO diformyl ether choocho  
1533 H2SO4 Sulfuric acid h2so4  
1534 H2SeO4 Selenic acid h2seo4  
1535 C3H3NO Isoxazole isox  
1536 C3H3NO Oxazole oxazole  
1537 C3H3NS Thiazole thiazole  
1538 CH3C(O)OO acetyl peroxy radical ch3coo2  
1539 CH3NO3 Methyl nitrate ch3no3  
1540 H3PO4 Phosphoric Acid h3po4  
1541 C4H4O Furan furan  
1542 C4H4O+ Furan cation furan+  
1543 CH3COCCH 3-butyn-2-one c1423605  
1544 C4H4S Thiophene furans  
1545 C4H4Se selenophene c4h4se  
1546 C3H4O2 β–Propiolactone beta  
1547 C3H4O2 2-Propenoic acid propenoic2  
1548 C3H4O2 Methyl glyoxal megly  
1549 C3H4O2 propanedial propanedial  
1550 C3H4O2 propenalol propenalol  
1551 HOCHCCHOH allenediol aldiol  
1552 C2H4O3 1,2,3-trioxolane c2h4o3  
1553 C2H4O3 trioxolane124 triox  
1554 HOCH2COOH Hydroxyacetic acid hac  
1555 CH2CHCONH2 Acrylamide c79061  
1556 CH3OCH2CN Methoxyacetonitrile c1738369  
1557 CH5N3S Hydrazinecarbothioamide c79196  
1558 H2NCH2COOH Glycine glycine  
1559 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1560 C4H6O cis-2-butenal butenal2c  
1561 C4H6O Cyclobutanone cbutone  
1562 C4H6O Furan, 2,3-dihydro- furan23h  
1563 C4H6O Furan, 2,5-dihydro- furan25h  
1564 CH2CHOCHCH2 Vinyl ether vinylether  
1565 CHOCHCHCH3 2-Butenal butenal2  
1566 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1567 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1568 CH2CHSCHCH2 Divinyl sulfide divis  
1569 C2H6N2O Urea, methyl- c598505  
1570 C3H6O2 1,3-Dioxolane dioxolane  
1571 CH3CH2COOH Propanoic Acid propanoic  
1572 CH3COOCH3 methyl acetate aame  
1573 HCOOC2H5 Ethyl formate faee  
1574 C2H6O2S Dimethyl sulfone c67710  
1575 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1576 C3H7NO dimethylformamide dmf  
1577 C3H7NO Propanamide propanam  
1578 C2H3OC2H5 Ethene, ethoxy- c109922  
1579 C4H8O Cyclobutanol c2919235  
1580 C4H8O Furan, tetrahydro- thf  
1581 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1582 CH3COCH2CH3 2-Butanone buta2one  
1583 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1584 CHOCH2CH2CH3 Butanal butanal  
1585 C4H8S Thiophene, tetrahydro- tht  
1586 C3H8O2 1,3-Propanediol c504632  
1587 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1588 C3H8O2 Methane, dimethoxy- c109875  
1589 C3H8O2 Propylene glycol c57556  
1590 C3H8S2 1,3-Propanedithiol c109808  
1591 C4H10O 1-Butanol butanol1  
1592 C4H10O 1-Propanol, 2-methyl- c78831  
1593 C4H10O 2-Butanol, (.+/-.)- butanol2  
1594 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1595 C4H10O Ethoxy ethane etoet  
1596 C4H10O Methyl propyl ether meopr  
1597 C4H10O Propane, 2-methoxy- c598538  
1598 C4H10O+ 1-Butanol cation butanol1+  
1599 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1600 C2H5SC2H5 Diethyl sulfide etset  
1601 C4H9SH 1-Butanethiol bush  
1602 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1603 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1604 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1605 FNO3 Fluorine nitrate fno3  
1606 ClONO2 Chlorine nitrate clono2  
1607 BrONO2 Bromine nitrate brono2  
1608 TiCl4 Titanium tetrachloride ticl4  
1609 ClO4- perchlorate anion clo4-  
1610 BF4- tetrafluoroboron anion bf4-  
1611 ClFO3 Perchloryl fluoride clfo3  
1612 SO2F2 Sulfuryl fluoride so2f2  
1613 SO2Cl2 Sulfuryl chloride so2cl2  
1614 F3NO Nitrogen trifluoride oxide f3no  
1615 F3PO Phosphoryl fluoride pf3o  
1616 Cl3PO Phosphoryl chloride pcl3o  
1617 CF4 Carbon tetrafluoride cf4  
1618 CF3Cl Methane, chlorotrifluoro- cf3cl  
1619 SiF4 Silicon tetrafluoride sif4  
1620 CF2Cl2 difluorodichloromethane cf2cl2  
1621 TiF4 Titanium tetrafluoride tif4  
1622 CFCl3 Trichloromonofluoromethane cfcl3  
1623 CF3Br Bromotrifluoromethane cf3br  
1624 GeF4 Germanium tetrafluoride gef4  
1625 CCl4 Carbon tetrachloride ccl4  
1626 CCl4+ Carbon tetrachloride cation ccl4+  
1627 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1628 SiCl4 Silane, tetrachloro- sicl4  
1629 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1630 CF3I trifluoroiodomethane cf3i  
1631 CBrCl3 Methane, bromotrichloro- cbrcl3  
1632 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1633 GeCl4 Germanium Tetrachloride gecl4  
1634 CBr2ClF dibromochlorofluoromethane cbr2clf  
1635 CBr2Cl2 dibromodichloromethane cbr2cl2  
1636 CCl3I trichloroiodomethane ccl3i  
1637 CFBr3 fluorotribromomethane cfbr3  
1638 CFClBrI fluorochlorobromoiodomethane cfclbri  
1639 CBr3Cl tribromochloromethane cbr3cl  
1640 CF2I2 difluorodiiodomethane cf2i2  
1641 CBr4 Carbon tetrabromide cbr4  
1642 CCl2I2 dichlorodiiodomethane ccl2i2  
1643 SiBr4 Silicon tetrabromide sibr4  
1644 CBr3I tribromoiododmethane cbr3i  
1645 GeBr4 Germanium tetrabromide gebr4  
1646 CI4 tetraiodomethane ci4  
1647 SiI4 silicon tetraiodide sii4  
1648 ClOF3 Chlorine trifluoride oxide clof3  
1649 SF4 Sulfur tetrafluoride sf4  
1650 SeF4 Selenium tetrafluoride sef4  
1651 SCl4 Sulfur tetrachloride scl4  
1652 C2HF3 Trifluoroethylene c2hf3  
1653 C2HF3+ Trifluoroethylene cation c2hf3+  
1654 CHClCCl2 Trichloroethylene chclccl2  
1655 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1656 HClO4 perchloric acid hclo4  
1657 HSO3F Fluorosulfonic acid hso3f  
1658 CF3OH trifluoromethanol cf3oh  
1659 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1660 CHClCCHCl 1,3-dichloroallene chclcchcl  
1661 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1662 CHCl2CHO dichloroacetaldehyde chcl2cho  
1663 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1664 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1665 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1666 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1667 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1668 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1669 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1670 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1671 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1672 NH3BCl3 Amminetrichloroboron nh3bcl3  
1673 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1674 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1675 C3H5ClO Oxirane, (chloromethyl)- c106898  
1676 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1677 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1678 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1679 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1680 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1681 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1682 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1683 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1684 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1685 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1686 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1687 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1688 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1689 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1690 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1691 C4H9F 1-fluorobutane butaf1  
1692 CH3CHFCH2CH3 2-fluorobutane butaf2  
1693 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1694 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1695 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1696 XeF4 Xenon tetrafluoride xef4  
1697 C2H2N2O Furazan furazan  
1698 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1699 NH3BF3 Amminetrifluoroboron nh3bf3  
1700 C6H2 hexatriyne c6h2  
1701 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1702 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1703 C6H4 Benzyne benzyne  
1704 C6H5 phenyl phenyl  
1705 C6H5- phenyl anion phenyl-  
1706 C6H6 Prismane prismane  
1707 C6H6 1,2,4,5-Hexatetraene ht1245  
1708 C6H6 2,4-Hexadiyne hexadiyne  
1709 C6H6 3,4-Dimethylenecyclobutene cb34m  
1710 C6H6 Benzene benzene  
1711 C6H6 Benzvalene bv  
1712 C6H6 Dewar Benzene dewar  
1713 C6H6 Hexa-1,5-diene-3-yne hdy153  
1714 C6H6 Trimethylenecycopropane tmcp  
1715 C6H6+ Benzene cation c6h6+  
1716 C6H7+ benzene, protonated c6h7+  
1717 C6H8 (E)-hexa-1,3,5-triene c821078  
1718 C6H8 (E)-hexa-2,3,4-triene c59660650  
1719 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1720 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1721 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1722 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1723 C6H8 3-Methylenecyclopentene c930267  
1724 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1725 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1726 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1727 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1728 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1729 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1730 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1731 C6H10 1,5-Hexadiene c592427  
1732 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1733 C6H10 1-Hexyne hexyne1  
1734 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1735 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1736 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1737 C6H10 2-Hexyne c764352  
1738 C6H10 3-Hexyne hexyne3  
1739 C6H10 cyclohexene cyclohexene  
1740 C6H10 Cyclopentene, 1-methyl- c693890  
1741 C6H10 Cyclopentene, 3-methyl- c1120623  
1742 C6H10 Cyclopentene, 4-methyl- c1759815  
1743 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1744 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1745 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1746 C6H12 (E)-2-Hexene e2hexene  
1747 C6H12 (E)-3-methylpent-2-ene c616126  
1748 C6H12 (E)-hex-3-ene e3hexene  
1749 C6H12 (Z)-3-methylpent-2-ene c922623  
1750 C6H12 (Z)-hex-2-ene z2hexene  
1751 C6H12 (Z)-hex-3-ene z3hexene  
1752 C6H12 2,3-dimethylbut-1-ene c563780  
1753 C6H12 2,3-dimethyl-but-2-ene tmeet  
1754 C6H12 3-methylenepentane c760214  
1755 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1756 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1757 C6H12 Cyclohexane cyclohexane  
1758 C6H12 Cyclopentane, methyl- c96377  
1759 C6H12 Ethylcyclobutane c4806615  
1760 C6H12 hex-1-ene hexene1  
1761 C6H14 Butane, 2,2-dimethyl- buta22  
1762 C6H14 Butane, 2,3-dimethyl- buta23  
1763 C6H14 Hexane hexane  
1764 C6H14 Pentane, 2-methyl- penta2  
1765 C6H14 Pentane, 3-methyl- penta3  
1766 C4N2 2-Butynedinitrile c4n2  
1767 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1768 C4H2N2 Fumaronitrile c4h2n2  
1769 C2H2N4 sym-tetrazine ttz  
1770 C3H3N3 1,3,5-Triazine triazine135  
1771 CH3N5 5-Aminotetrazole c4418615  
1772 C4H4N2 1,3-Diazine diazine13  
1773 C4H4N2 Pyrazine pyrazine  
1774 C4H4N2 Pyridazine pyridazine  
1775 C4H4N2 Succinonitrile c110612  
1776 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1777 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1778 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1779 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1780 C5H5N E-2,4-pentadienenitrile bdcn  
1781 C5H5N Pyridine pyridine  
1782 B3N3H6 borazine borazine  
1783 C6H6 Fulvene fulvene  
1784 C5H6N+ Pyridinium c5h6n  
1785 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1786 C5H7N (E)-2-Pentenenitrile c26294984  
1787 C5H7N (E)-3-Pentenenitrile c16529661  
1788 C5H7N (Z)-2-Pentenenitrile c25899507  
1789 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1790 C5H7N Cyclobutanecarbonitrile c4426113  
1791 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1792 C5H9N Butanenitrile, 2-methyl- c18936179  
1793 C5H9N Pentanenitrile c110598  
1794 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1795 C6H10 Bicyclo[3.1.0]hexane c285585  
1796 C5H11N Cyclopentanamine cypentam  
1797 C5H11N Piperidine piper  
1798 C4H12N2 1,2-Butanediamine c4426486  
1799 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1800 Li2CO3 Lithium Carbonate li2co3  
1801 Na2CO3 Sodium Carbonate na2co3  
1802 C2O4-- oxalate anion c2o4  
1803 MgSO4 Magnesium Sulfate mgso4  
1804 N2O4 Dinitrogen tetroxide n2o4  
1805 C3H2O3 vinylene carbonate vica  
1806 C2H2O4 Oxalic Acid oxalic  
1807 C2H3NO3 Oxamic acid oxamic  
1808 C4H4O2 2(5H)-Furanone furanone  
1809 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1810 C2H4N2O2 Oxalamide oxalamide  
1811 C2H4N2S2 Ethanedithioamide c79403  
1812 C2H4CO3 Ethylene carbonate etco3  
1813 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1814 C3H4S3 1,3-Dithiolane-2-thione c822388  
1815 C2H4O4 Formic acid dimer fadimer  
1816 C4H5NO 3-Methylisoxazole isox3m  
1817 C4H5NO Isoxazole, 5-methyl- c5765446  
1818 C4H5NS 4-Methylthiazole c693958  
1819 C2H5NO3 Nitric acid, ethyl ester c625581  
1820 C5H6O 2H-Pyran pyran2  
1821 C5H6O 2-methylfuran furan2m  
1822 C5H6O 3-Methylfuran furan3m  
1823 C5H6O Pentadienal pdal  
1824 C5H6S Thiophene, 2-methyl- c554143  
1825 C5H6S Thiophene, 3-methyl- c616444  
1826 C4H6O2 γ–Butyrolactone c96480  
1827 C4H6O2 2,3-Butanedione c431038  
1828 C4H6O2 2-Propenoic acid, methyl ester c96333  
1829 C4H6O2 Crotonic Acid crot  
1830 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1831 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1832 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1833 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1834 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1835 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1836 C4H6OS Vinyl sulfoxide c1115157  
1837 CH6N4S Carbonothioic dihydrazide thiacarb  
1838 C2H6N2O2 (E)-Azodioxymethane c37765154  
1839 C2H6N2O2 Dimethylnitroamine c4164287  
1840 C3H6O3 1,3,5-Trioxane trioxane  
1841 C3H6S3 1,3,5-Trithiane c3h6s3  
1842 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1843 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1844 C4H7NO 2-Pyrrolidinone c616455  
1845 C4H7NO Ethoxyacetonitrile etoaccn  
1846 C4H7NO Methacrylamide c79390  
1847 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1848 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1849 C3H7ONO Propyl nitrite prono  
1850 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1851 CH3CH(NH2)COOH Alanine alanine  
1852 CH3NHCH2COOH Sarcosine sarcosine  
1853 NH2CH2CH2COOH β–alanine betaalanine  
1854 NH2COOC2H5 Urethane urethane  
1855 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1856 C5H8O Cyclopentanone c120923  
1857 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1858 C5H8O Methyl cyclopropyl ketone c765435  
1859 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1860 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1861 NH2CONHC2H5 Urea, ethyl- c625525  
1862 C4H8O2 1,3-Dioxane dioxan13  
1863 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1864 C4H8O2 1,4-Dioxane dioxan14  
1865 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1866 C4H8O2 Ethyl acetate c141786  
1867 C4H8OS s-Ethyl thioacetate c625605  
1868 C3H8O3 1,2,3-Propanetriol glycerin  
1869 C3H8O2S (Methylsulfonyl)ethane c594434  
1870 C4H9NO Butanamide c541355  
1871 C4H9NO Propanamide, 2-methyl- c563837  
1872 C5H10O 2-Butanone, 3-methyl- c563804  
1873 C5H10O 2H-Pyran, tetrahydro- c142687  
1874 C5H10O 2-methylbutyraldehyde 2meba  
1875 C5H10O 2-Pentanone mpk  
1876 C5H10O 3-Pentanone dek  
1877 C5H10O Cyclopentanol c96413  
1878 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1879 C5H10O Pentanal pal  
1880 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1881 C5H10S 3-Ethylthio-1-propene c5296628  
1882 C5H10S Cyclopentanethiol c1679078  
1883 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1884 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1885 C4H10O2 1,1-Dimethoxyethane c534156  
1886 C4H10O2 1,3-Butanediol budiol13  
1887 C4H10O2 1,4-Butanediol budiol14  
1888 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1889 C4H10OS Diethyl sulfoxide c70291  
1890 C4H10S2 1,4-Butanedithiol budisl14  
1891 C4H11NO Diethylhydroxylamine c3710847  
1892 C5H12O 1-Butanol, 2-methyl- c137326  
1893 C5H12O 1-Butanol, 3-methyl- c123513  
1894 C5H12O 1-Pentanol pentanol1  
1895 C5H12O 2-Butanol, 3-methyl- c598754  
1896 C5H12O 2-Pentanol peol2  
1897 C5H12O 3-Pentanol pentan3ol  
1898 C5H12O Butane, 1-methoxy- meobu  
1899 C5H12O Propane, 1-ethoxy- proet  
1900 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1901 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1902 C5H12S 1-Butanethiol, 3-methyl- c541311  
1903 C5H12S 1-Pentanethiol c110667  
1904 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1905 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1906 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1907 C5H12S Butane, 1-(methylthio)- c628295  
1908 C5H12S Ethyl propyl sulfide c4110503  
1909 C5H12S Propane, 2-(ethylthio)- c5145993  
1910 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1911 C4F2 difluorobutadiyne c4f2  
1912 ClCOClCO Oxalyl chloride oxcl  
1913 CF3CN Acetonitrile, trifluoro- cf3cn  
1914 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1915 B2F4 Diboron tetrafluoride b2f4  
1916 B2Cl4 Diboron tetrachloride b2cl4  
1917 C2F4 Tetrafluoroethylene c2f4  
1918 C2F4+ Tetrafluoroethylene cation c2f4+  
1919 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1920 CF2CCl2 difluorodichloroethylene cf2ccl2  
1921 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1922 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1923 C2FCl3 fluorotrichloroethene c2fcl3  
1924 C2Cl4 Tetrachloroethylene c2cl4  
1925 C2Br4 tetrabromoethene c2br4  
1926 CF3OF Trifluoromethylhypofluorite cf3of  
1927 SiF5- silicon pentafluoride anion sif5-  
1928 SOF4 Sulfur tetrafluoride oxide sof4  
1929 PF5 Phosphorus pentafluoride pf5  
1930 AsF5 Arsenic pentafluoride asf5  
1931 PCl5 Phosphorus pentachloride pcl5  
1932 SF5 Sulfur pentafluoride sf5  
1933 SF5+ pentafluoro sulfur cation sf5+  
1934 SbCl5 Antimony pentachloride sbcl5  
1935 BrF5 bromine pentafluoride brf5  
1936 ClF5 chlorinepentafluoride clf5  
1937 IF5 pentafluoroiodine if5  
1938 CF3CHO trifluoroacetaldehyde cf3cho  
1939 CCl3CHO trichloroacetaldehyde ccl3cho  
1940 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1941 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1942 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1943 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1944 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1945 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1946 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1947 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1948 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1949 CF3COOH trifluoroacetic acid cf3cooh  
1950 C4H3ClO Furan, 2-chloro fur2cl  
1951 C4H3ClO Furan,3-chloro fur3cl  
1952 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1953 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1954 C4H8Cl2 1,4-Dichlorobutane c110565  
1955 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1956 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1957 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1958 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1959 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1960 C5H11Cl Pentane, 1-chloro- pencl1  
1961 C4H8O2 Butanoic acid bua  
1962 C6H5CH2 benzyl radical benzyl  
1963 C7H7 cycloheptatrienyl radical c7h7  
1964 C7H7+ cycloheptatrienyl cation c7h7+  
1965 C6H5CH3 toluene toluene  
1966 C7H8 cycloheptatriene cht  
1967 C7H8 Norbornadiene norbor  
1968 C7H8 Quadricyclane qucy  
1969 C7H12 Norbornane nor  
1970 C7H14 cycloheptane c7h14  
1971 C7H16 2-methylhexane 2mhex  
1972 C7H16 3-methylhexane hex3m  
1973 C7H16 heptane heptane  
1974 CH(CN)3 tricyanomethane mecn3  
1975 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1976 C6H7N 2-Methylpyridine mp  
1977 C6H5NH2 aniline aniline  
1978 C6H13N 2-Methylpiperidine pip2m  
1979 C6H13N cyclohexanamine cham  
1980 C6H15N triethylamine tea  
1981 N2O5 Dinitrogen pentoxide n2o5  
1982 C4H2O3 Maleic Anhydride malan  
1983 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1984 C5H4O2 furfural furfural  
1985 C6H5O phenoxy radical phenoxy  
1986 C5H5NO 2(1H)-Pyridinone c72762006  
1987 C5H5NO 2(3H)-Pyridinone c9000048  
1988 C5H5NO 2(5H)-Pyridinone c9000037  
1989 C5H5NO 2-Pyridinol c109104  
1990 C5H5NO 3(2H)-Pyridinone c9000004  
1991 C5H5NO 3(4H)-Pyridinone c9000026  
1992 C5H5NO 3(6H)-Pyridinone c9000015  
1993 C5H5NO 3-Pyridinol c109002  
1994 C5H5NO 4(1H)-Pryidinone c9000060  
1995 C5H5NO 4(3H)-Pryidinone c9000059  
1996 C5H5NO 4-Pyridinol c626642  
1997 C6H5OH phenol phenol  
1998 C6H6O 2,4-Cyclohexadienone c24599573  
1999 C6H6O 2,5-Cyclohexadienone c5664335  
2000 C6H5SH Benzenethiol phsh  
2001 HO2CCHNH2CH2OH Serine serine  
2002 C5H8O2 Acetylacetone acac  
2003 C4H8O2S Sulfolane sulfolane  
2004 C7H10 Norbornene norbornene  
2005 CH(C2H3)3 trivinyl methane tvm  
2006 C6H10O cyclohexanone chexo  
2007 C6H12O hexanal c6h12o  
2008 C6H12O Oxepane oxepane  
2009 C3H7OC3H7 di-n-propyl ether propr  
2010 F2CCCF2 tetrafluoroallene pfa  
2011 CF3COO- trifluoro acetate anion cf3coo-  
2012 CF3COF trifluoroacetyl fluoride cf3cof  
2013 CF3COCl trifluoroacetyl chloride cf3cocl  
2014 PF6 Hexafluorophosphate neutral pf6  
2015 PF6- Hexafluorophosphate ion pf6-  
2016 SF6 Sulfur Hexafluoride sf6  
2017 SeF6 Selenium hexafluoride sef6  
2018 SF5Cl sulfur chloropentafluoride sf5cl  
2019 CF3CHF2 pentafluoroethane cf3chf2  
2020 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2021 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2022 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2023 CCl3CHCl2 pentachloroethane ccl3chcl2  
2024 C6H5F Fluorobenzene bzf  
2025 C6H5Cl chlorobenzene bzcl  
2026 C6H5Br bromobenzene bzbr  
2027 C8H6 Calicene calicene  
2028 C6H5CCH phenylacetylene phac  
2029 C8H6 benzocyclobutadiene bcbd  
2030 C8H6 Pentalene pentalene  
2031 C6H5CHCH2 Styrene styrene  
2032 C8H8 cubane cubane  
2033 C8H8 cyclooctatetraene cot  
2034 C6H5CH2CH3 Ethylbenzene etbz  
2035 CH3C6H4CH3 meta-xylene mxylene  
2036 CH3C6H4CH3 paraxylene pxylene  
2037 C8H14 Bicyclo[2.2.2]octane bico222  
2038 C8H16 cyclooctane cyclooct  
2039 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2040 C8H18 Octane c8h18  
2041 C6H5CN phenyl cyanide phcn  
2042 C6H12N2 Triethylenediamine ted  
2043 C4O4-- squarate dianion c4o4--  
2044 S4N4 Tetrasulfur tetranitride s4n4  
2045 S8 Octasulfur s8  
2046 C6H4O2 parabenzoquinone pbq  
2047 C4H4N2O2 Uracil uracil  
2048 C6H5CHO benzaldehyde benzal  
2049 C6H5OCH3 Anisole anisole  
2050 C5H9NO2 Proline proline  
2051 C6H12O2 Methyl pivalate c598981  
2052 C6H12O2 Hexanoic acid hexa  
2053 C4F4 tetrafluorcyclobutadiene c4f4  
2054 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2055 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2056 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2057 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2058 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2059 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2060 C2F6 hexafluoroethane c2f6  
2061 C2Cl6 hexachloroethane c2cl6  
2062 IF7 Iodine heptafluoride if7  
2063 C6H4F2 metadifluorobenzene mdfb  
2064 C6H4F2 orthodifluorobenzene odfb  
2065 C6H4F2 1,4-difluorobenzene pdfb  
2066 C6H4Cl2 1,2-dichlorobenzene dcb12  
2067 C6H4Cl2 1,3-dichlorobenzene dcb13  
2068 C6H4Cl2 1,4-dichlorobenzene dcb14  
2069 C6H5NO nitrosobenzene bzno  
2070 C9H8 Indene indene  
2071 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2072 C9H12 n-propyl benzene prbz  
2073 C9H20 Nonane nonane  
2074 C(CN)4 tetracyanomethane c5n4  
2075 C5H4N4 purine purine  
2076 C8H7N Indole indole  
2077 C3H3N3O3 cyanuric acid cyanuric  
2078 C6H5NO2 Nitrobenzene c6h5no2  
2079 C6H5COOH benzoic acid benzo  
2080 CH3COC6H5 acetophenone acph  
2081 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2082 C3F6 hexafluoropropene c3f6  
2083 C6H3F3 Benzene trifluoride 123 bzf3a  
2084 C8H18O 1-Octanol octanol  
2085 C10H8 Azulene azu  
2086 C10H8 naphthalene naph  
2087 C10H10 bullvalene bullv  
2088 C10H16 adamantane adamantane  
2089 C6N4 Tetracyanoethylene tcne  
2090 C6N4- tetracyanoethylene anion tcne-  
2091 C10H22 Decane decane  
2092 C4F6 perfluorobutadiene c4f6  
2093 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2094 C3F8 perfluoropropane c3f8  
2095 Fe(CO)5 Iron pentacarbonyl ipc  
2096 Fe(C5H5)2 ferrocene fecp2  
2097 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2098 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2099 C12H8 Acenaphthylene acenaph  
2100 C12H8 biphenylene biph  
2101 C12H10 biphenyl biphenyl  
2102 C12H10 Heptalene heptalene  
2103 C6H12O6 Inositol inositol  
2104 C6F6 hexafluorobenzene c6f6  
2105 S2F10 disulphur decafluoride s2f10  
2106 C13H10 Fluorene fluorene  
2107 C14H10 Anthracene anth  
2108 C14H10 Phenanthrene phenanthrene  
2109 C14H14 Bibenzyl bibenzyl  
2110 C12H10N2 azobenzene azobenzene  
2111 C6H5COC6H5 benzophenone benzophenone  
2112 C16H10 Pyrene pyrene  
2113 C18H12 Tetracene tetracene  
2114 C19H16 Triphenylmethane tpm  
2115 C24H12 Coronene coronene  
2116 C60 Buckminsterfullerene c60