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 CISD /6-311G**

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 Ca Calcium atom 1SKh
13 Zn Zinc atom 1SKh
14 CaH Calcium monohydride 2ΣC∞v
15 B Boron atom 2PKh
16 B Boron atom 4PKh
17 B+ Boron atom cation 1SKh
18 Al Aluminum atom 2PKh
19 Al+ Aluminum atom cation 1SKh
20 C Carbon atom 3P0Kh
21 C Carbon atom 3P1Kh
22 C+ Carbon atom cation 2PKh
23 Si Silicon atom 3PKh
24 Si Silicon atom 1SKh
25 Si+ Silicon atom cation 2PKh
26 Ti Titanium atom 3FKh
27 CH4 Methane 1A1Td
28 N Nitrogen atom 4SKh
29 N Nitrogen atom 2DKh
30 N+ Nitrogen atom cation 3PKh
31 P Phosphorus atom 4SKh
32 NH3 Ammonia 1A1C3v
33 O Oxygen atom 3SKh
34 O+ Oxygen atom cation 4SKh
35 S Sulfur atom 3PKh
36 OH Hydroxyl radical 2ΠC∞v
37 H2O Water 1A1C2v
38 F Fluorine atom 2PKh
39 F+ Fluorine atom cation 3SKh
40 Cl Chlorine atom 2PKh
41 Cl+ Chlorine atom cation 3PKh
42 Br Bromine atom 2PKh
43 HF Hydrogen fluoride 1ΣC∞v
44 HCl Hydrogen chloride 1ΣC∞v
45 HI Hydrogen iodide 1ΣC∞v
46 Ne Neon atom 1SKh
47 Ne+ Neon atom cation 2PKh
48 Ar Argon atom 1SKh
49 Na2 Sodium diatomic 1ΣgD∞h
50 Cu2 Copper diatomic 1ΣgD∞h
51 C2H2 Acetylene 1ΣgD∞h
52 CuCH3 monomethyl copper 1A1C3v
53 C2H4 Ethylene 1AgD2h
54 C2H6 Ethane 1A1gD3d
55 BN boron nitride 3ΠC∞v
56 AlN Aluminum nitride 3ΠiC∞v
57 N2 Nitrogen diatomic 1ΣgD∞h
58 N2H2 (E)-diazene 1AgC2h
59 CaO Calcium monoxide 1ΣC∞v
60 ZnO zinc monoxide 1ΣC∞v
61 BO- boron monoxide anion 1ΣC∞v
62 CO Carbon monoxide 1ΣC∞v
63 CSe Carbon monoselenide 1ΣC∞v
64 NO Nitric oxide 2ΠC∞v
65 O2 Oxygen diatomic 3ΣgD∞h
66 SeS Selenium monosulfide 3ΣC∞v
67 CaOH Calcium monohydroxide 2Σ+C∞v
68 H2CO Formaldehyde 1A1C2v
69 CuF Copper monofluoride 1ΣC∞v
70 LiBr Lithium Bromide 1ΣC∞v
71 CuCl Copper monochloride 1ΣC∞v
72 NaBr Sodium Bromide 1ΣC∞v
73 CaF Calcium monofluoride 2ΣC∞v
74 CaCl calcium monochloride 2ΣC∞v
75 BF Boron monofluoride 1ΣC∞v
76 CF- carbon monofluoride anion 3ΣC∞v
77 BrCl Bromine monochloride 1ΣC∞v
78 F2 Fluorine diatomic 1ΣgD∞h
79 Cl2 Chlorine diatomic 1ΣgD∞h
80 BrF Bromine monofluoride 1ΣC∞v
81 CH3Br methyl bromide 1A1C3v
82 CH3I methyl iodide 1A1C3v
83 C3H5 Allyl radical 2A2C2v
84 C3H6 Cyclopropane 1A1'D3h
85 CH2CHCH3 Propene 1A'Cs
86 HN3 hydrogen azide 1A'Cs
87 NHCHNH2 aminomethanimine 1AC1
88 CO2 Carbon dioxide 1ΣgD∞h
89 SO2 Sulfur dioxide 1A1C2v
90 BrCN Cyanogen bromide 1ΣC∞v
91 CaF2 Calcium difluoride 1ΣgC2v
92 HCCF Fluoroacetylene 1ΣC∞v
93 CH2FI fluoroiodomethane   
94 CH2Br2 dibromomethane 1A1C2v
95 CH2I2 Diiodomethane   
96 C2H3Br vinyl bromide 1A'Cs
97 C4 Carbon tetramer 3ΣgD∞h
98 C2H8N2 Ethylenediamine 1AgC2h
99 C3H4O allenol 1A'Cs
100 BF3 Borane, trifluoro- 1A'D3h
101 AlF3 Aluminum trifluoride 1A1'D3h
102 SeOCl2 selenium oxychloride 1A'Cs
103 BrF3 Bromine trifluoride 1A1C2v
104 CHF2I difluoroiodomethane   
105 CHFClI fluorochloroiodomethane   
106 CHBr3 bromoform 1A1C3v
107 C3H2N2 Malononitrile 1A1Cs
108 CaCO3 Calcium Carbonate 1A1C2v
109 TiCl4 Titanium tetrachloride 1A1Td
110 CBr4 Carbon tetrabromide 1A1Td
111 SF4 Sulfur tetrafluoride 1A1C2v
112 CH3CH(NH2)COOH Alanine 1AC1
113 CH3NHCH2COOH Sarcosine 1AC1
114 NH2CH2CH2COOH β–alanine 1AC1
115 C5H12O 3-Pentanol 1AC1
116 BrF5 bromine pentafluoride 1A1C4v
117 C6H5COOH benzoic acid 1A'Cs

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