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 /STO-3G

Jump to calculations not yet done
count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 Li Lithium atom 2SKh
3 Na Sodium atom 2SKh
4 K Potassium atom 2SKh
5 Cu Copper atom 2SKh
6 LiH Lithium Hydride 1ΣC∞v
7 Be Beryllium atom 1SKh
8 Be+ Beryllium atom cation 2SKh
9 Mg Magnesium atom 1SKh
10 Mg+ Magnesium atom cation 2SKh
11 B Boron atom 2PKh
12 B Boron atom 4PKh
13 B+ Boron atom cation 1SKh
14 Al Aluminum atom 2PKh
15 Al+ Aluminum atom cation 1SKh
16 C Carbon atom 3P0Kh
17 C Carbon atom 3P1Kh
18 C+ Carbon atom cation 2PKh
19 Si Silicon atom 3PKh
20 Si Silicon atom 1SKh
21 Si+ Silicon atom cation 2PKh
22 Ti Titanium atom 3FKh
23 CH4 Methane 1A1Td
24 N Nitrogen atom 4SKh
25 N Nitrogen atom 2DKh
26 N+ Nitrogen atom cation 3PKh
27 P Phosphorus atom 4SKh
28 NH3 Ammonia 1A1C3v
29 O Oxygen atom 3SKh
30 O+ Oxygen atom cation 4SKh
31 S Sulfur atom 3PKh
32 OH Hydroxyl radical 2ΠC∞v
33 H2O Water 1A1C2v
34 F Fluorine atom 2PKh
35 F+ Fluorine atom cation 3SKh
36 Cl+ Chlorine atom cation 3PKh
37 HF Hydrogen fluoride 1ΣC∞v
38 HCl Hydrogen chloride 1ΣC∞v
39 Na2 Sodium diatomic 1ΣgD∞h
40 C2H2 Acetylene 1ΣgD∞h
41 C2H4 Ethylene 1AgD2h
42 C2H6 Ethane 1A1gD3d
43 BN boron nitride 3ΠC∞v
44 AlN Aluminum nitride 3ΠiC∞v
45 N2 Nitrogen diatomic 1ΣgD∞h
46 N2H2 (E)-diazene 1AgC2h
47 BO- boron monoxide anion 1ΣC∞v
48 CO Carbon monoxide 1ΣC∞v
49 CSe Carbon monoselenide 1ΣC∞v
50 NO Nitric oxide 2ΠC∞v
51 O2 Oxygen diatomic 3ΣgD∞h
52 SeO Selenium monoxide 3ΣC∞v
53 SeS Selenium monosulfide 3ΣC∞v
54 H2CO Formaldehyde 1A1C2v
55 BF Boron monofluoride 1ΣC∞v
56 CF- carbon monofluoride anion 3ΣC∞v
57 F2 Fluorine diatomic 1ΣgD∞h
58 Cl2 Chlorine diatomic 1ΣgD∞h
59 C3H5 Allyl radical 2A2C2v
60 C3H6 Cyclopropane 1A1'D3h
61 CH2CHCH3 Propene 1A'Cs
62 HN3 hydrogen azide 1A'Cs
63 NHCHNH2 aminomethanimine 1AC1
64 Li2O dilithium oxide 1ΣgD∞h
65 CO2 Carbon dioxide 1ΣgD∞h
66 SO2 Sulfur dioxide 1A1C2v
67 HCCF Fluoroacetylene 1ΣC∞v
68 C4 Carbon tetramer 3ΣgD∞h
69 C3H4O allenol 1A'Cs
70 NH2CONH2 Urea 1AC2
71 BF3 Borane, trifluoro- 1A'D3h
72 AlF3 Aluminum trifluoride 1A1'D3h
73 SOCl2 thionyl chloride 1A'Cs
74 NI3 Nitrogen triiodide   
75 TiCl4 Titanium tetrachloride 1A1Td
76 SF4 Sulfur tetrafluoride 1A1C2v
77 C2Cl6 hexachloroethane 1A1gD3d
78 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 he  
13 He- Helium atom anion he-  
14 He+ Helium atom cation he+  
15 HeH Helium hydride heh  
16 HeH+ Helium hydride cation heh+  
17 He2+ helium diatomic cation he2+  
18 Li- Lithium atom anion li-  
19 Li+ Lithium atom cation li+  
20 Na- Sodium atom anion na-  
21 Na+ Sodium atom cation na+  
22 K- Potassium atom anion k-  
23 K+ Potassium atom cation k+  
24 Cu- Copper atom anion cu-  
25 Cu+ Copper atom cation cu+  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH Potassium hydride kh  
32 KH+ Potassium hydrogen cation kh+  
33 CuH Copper monohydride cuh  
34 Be- Beryllium atom anion be-  
35 Mg- Magnesium atom anion mg-  
36 Ca Calcium atom ca  
37 Ca- Calcium atom anion ca-  
38 Ca+ Calcium atom cation ca+  
39 Zn Zinc atom zn  
40 Zn- Zinc atom anion zn-  
41 Zn+ Zinc atom cation zn+  
42 BeH beryllium monohydride beh  
43 BeH- berylium monohydride anion beh-  
44 BeH+ beryllium monohydride cation beh+  
45 MgH magnesium monohydride mgh  
46 MgH- magnesium monohydride anion mgh-  
47 MgH+ magnesium monohydride cation mgh+  
48 CaH Calcium monohydride cah  
49 CaH+ Calcium monohydride cation cah+  
50 TiH Titanium monohydride tih  
51 ZnH Zinc monohydride znh  
52 ZnH+ Zinc, protonated znh+  
53 BeH2 beryllium dihydride beh2  
54 BeH2+ Beryllium dihydride cation beh2+  
55 MgH2 magnesium dihydride mgh2  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B- Boron atom anion b-  
59 Al- Aluminum atom anion al-  
60 Sc Scandium atom sc  
61 Sc+ Scandium cation sc+  
62 Ga Gallium atom ga  
63 Ga- Gallium atom anion ga-  
64 Ga+ Gallium atom cation ga+  
65 BH Boron monohydride bh  
66 BH- boron monohydride anion bh-  
67 BH+ boron monohydride cation bh+  
68 AlH aluminum monohydride alh  
69 AlH- aluminum monohydride anion alh-  
70 AlH+ aluminum monohydride cation alh+  
71 ScH Scandium monohydride sch  
72 ScH+ Scandium monohydride cation sch+  
73 GaH Gallium monohydride gah  
74 GaH+ Gallium monohydride cation gah+  
75 BH2 boron dihydride bh2  
76 BH2- boron dihydride anion bh2-  
77 BH2+ Boron dihydride cation bh2+  
78 AlH2 aluminum dihydride alh2  
79 AlH2- aluminum dihydride anion alh2-  
80 AlH2+ aluminum dihydride cation alh2+  
81 BH3 boron trihydride bh3  
82 BH3- boron trihydride anion bh3-  
83 BH3+ boron trihydride cation bh3+  
84 AlH3 aluminum trihydride alh3  
85 AlH3- aluminum trihydride anion alh3-  
86 AlH3+ aluminum trihydride cation alh3+  
87 ScH3 Scandium trihydride sch3  
88 GaH3 Gallium trihydride gah3  
89 BH4 borohydride bh4  
90 BH4- borohydride anion bh4-  
91 AlH4- Aluminum tetrahydride anion alh4-  
92 C- Carbon atom anion c-  
93 Si- Silicon atom anion si-  
94 Ti- Titanium atom anion ti-  
95 Ti+ Titanium atom cation ti+  
96 Ge Germanium atom ge  
97 Ge- Germanium anion ge-  
98 Ge+ Germanium cation ge+  
99 Sn Tin atom sn  
100 Sn+ Tin cation sn+  
101 CH Methylidyne ch  
102 CH- methylidyne anion ch-  
103 CH+ Methylidyne cation ch+  
104 SiH Silylidyne sih  
105 SiH- silicon monohydride anion sih-  
106 SiH+ silicon monohydride cation sih+  
107 GeH germylidene geh  
108 GeH+ Germaniun monohyrdide cation geh+  
109 CH2 Methylene ch2  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2 silicon dihydride sih2  
113 SiH2- silicon dihydride anion sih2-  
114 SiH2+ silicon dihydride cation sih2+  
115 GeH2 germylene geh2  
116 GeH2- germylene anion geh2-  
117 CH3 Methyl radical ch3  
118 CH3- methyl anion ch3-  
119 CH3+ methyl cation ch3+  
120 SiH3 Silyl radical sih3  
121 SiH3- Silyl anion sih3-  
122 SiH3+ Silyl cation sih3+  
123 GeH3 Germyl radical geh3  
124 GeH3+ germyl cation geh3+  
125 CD4 methane-d4 cd4  
126 CH2D2 methane-d2 ch2d2  
127 CH3D methane-d ch3d  
128 CH4- Methane anion ch4-  
129 CH4+ Methane cation ch4+  
130 CHD3 methane-d3 chd3  
131 SiH2D2 silane-d2 sih2d2  
132 SiH4 Silane sih4  
133 SiH4+ Silane cation sih4+  
134 GeH4 Germane geh4  
135 SnH4 Stannane snh4  
136 SiH5+ Silane, protonated sih5+  
137 N- Nitrogen atom anion n-  
138 P- Phosphorus atom anion p-  
139 P+ Phosphorus atom cation p+  
140 V Vanadium atom v  
141 V+ Vanadium atom cation v+  
142 As Arsenic atomic as  
143 As- Arsenic anion as-  
144 As+ Arsenic cation as+  
145 Sb Antimony atom sb  
146 NH Imidogen nh  
147 NH- Imidogen anion nh-  
148 NH+ imidogen cation nh+  
149 PH phosphorus monohydride ph  
150 PH- phosphorus monohydride anion ph-  
151 PH+ phosphorus monohydride cation ph+  
152 AsH Arsenic monohydride ash  
153 AsH+ Arsenic monohydride cation ash+  
154 SbH Antimony monohydride sbh  
155 ND2 Amidogen-d2 nd2  
156 NH2 Amino radical nh2  
157 NH2- amino anion nh2-  
158 NH2+ Amino cation nh2+  
159 PH2 Phosphino radical ph2  
160 PH2- Phosphino anion ph2-  
161 PH2+ Phosphino cation ph2+  
162 AsH2 Arsenic dihydride ash2  
163 AsH2+ Arsenic dihydride cation ash2+  
164 ND3 Ammonia-d3 nd3  
165 NH3- Ammonia anion nh3-  
166 NH3+ ammonia cation nh3+  
167 PH3 Phosphine ph3  
168 PH3+ Phosphine cation ph3+  
169 AsH3 Arsine ash3  
170 AsH3+ Arsine cation ash3+  
171 SbH3 Stibine sbh3  
172 AsH4+ Arsonium ash4+  
173 NH4 Ammonium radical nh4  
174 NH4+ ammonium cation nh4+  
175 PH4 Phosphoranyl radical ph4  
176 PH4+ phosphonium cation ph4+  
177 O- Oxygen atom anion o-  
178 S- Sulfur atom anion s-  
179 S+ Sulfur atom cation s+  
180 Cr Chromium atom cr  
181 Se Selenium atom se  
182 Se- Selenium atom anion se-  
183 Se+ Selenium atom cation se+  
184 Te Tellurium atom te  
185 Te+ Tellurium atom cation te+  
186 DO Hydroxyl-d od  
187 OH- hydroxide anion oh-  
188 OH+ hydoxyl cation oh+  
189 DS Mercapto-d ds  
190 HS Mercapto radical hs  
191 HS- mercapto anion sh-  
192 HS+ sulfur monohydride cation sh+  
193 CrH Chromium hydride crh  
194 CrH+ Chromium hydride cation crh+  
195 HSe Selenium monohydride hse  
196 HSe- selenium monohydride anion hse-  
197 HSe+ selenium monohydride cation hse+  
198 TeH Telluryl radical teh  
199 D2O Deuterium oxide d2o  
200 H2O- water anion h2o-  
201 H2O+ water cation h2o+  
202 HDO Water-d1 hdo  
203 D2S Hydrogen sulfide-d2 d2s  
204 H2S Hydrogen sulfide h2s  
205 H2S- Hydrogen sulfide anion h2s-  
206 H2S+ Hydrogen sulfide cation h2s+  
207 H2Se Hydrogen selenide h2se  
208 H2Se+ Hydrogen selenide cation h2se+  
209 H2Te Hydrogen Telluride h2te  
210 H3O+ hydronium cation h3o+  
211 H3S+ Sulfonium cation h3s+  
212 H3Se+ Hydrogen Selenide, protonated h3se+  
213 F- Fluorine atom anion f-  
214 Cl Chlorine atom cl  
215 Cl- Chlorine atom anion cl-  
216 Mn Manganese atom mn  
217 Br Bromine atom br  
218 Br- Bromine atom anion br-  
219 Br+ Bromine atom cation br+  
220 I Iodine atom iodine  
221 I- Iodine atom anion iodine-  
222 I+ Iodine atom cation iodine+  
223 DF Hydrofluoric acid-d df  
224 HF- hydrogen fluoride anion hf-  
225 HF+ hydrogen fluoride cation hf+  
226 DCl Hydrochloric acid-d dcl  
227 HCl- hydrogen chloride anion hcl-  
228 HCl+ hydrogen chloride cation hcl+  
229 HBr hydrogen bromide hbr  
230 HBr- hydrogen bromide anion hbr-  
231 HBr+ hydrogen bromide cation hbr+  
232 HI Hydrogen iodide hi  
233 HI+ Hydrogen iodide cation hi+  
234 H2F+ dihydrogen fluoride cation h2f+  
235 H2Cl+ dihydrogen monochloride cation h2cl+  
236 H2Br+ protonated hydrogen bromide h2br+  
237 H2I+ Iodonium h2i+  
238 Ne Neon atom ne  
239 Ne- Neon atom anion ne-  
240 Ne+ Neon atom cation ne+  
241 Ar Argon atom ar  
242 Ar- Argon atom anion ar-  
243 Ar+ Argon atom cation ar+  
244 Fe Iron atom fe  
245 Kr Krypton atom kr  
246 Kr+ Krypton cation kr+  
247 Xe Xenon atom xe  
248 HeLi+ Helium Lithium cation heli+  
249 NeH neon hydrogen neh  
250 NeH+ neon hydrogen cation neh+  
251 ArH+ Argon hydride cation arh+  
252 KrH+ Protonated Krypton krh+  
253 XeH+ Xenon, protonated xeh+  
254 H2Ar H2 Ar dimer h2ar  
255 Co Cobalt atom cobalt  
256 Ni Nickel atom ni  
257 Li2 Lithium diatomic li2  
258 Li2- lithium diatomic anion li2-  
259 Li2+ lithium diatomic cation li2+  
260 NaLi lithium sodium lina  
261 NaLi- lithium sodium anion lina-  
262 NaLi+ lithium sodium cation lina+  
263 LiK Lithium Potassium lik  
264 Na2- sodium diatomic anion na2-  
265 Na2+ sodium diatomic cation na2+  
266 NaK Sodium Potassium nak  
267 NaK+ Sodium Potassium diatomic cation nak+  
268 K2 Potassium diatomic k2  
269 Cu2 Copper diatomic cu2  
270 LiBe Lithium Beryllium libe  
271 LiMg Lithium magnesium limg  
272 NaBe Sodium Beryllium nabe  
273 NaMg Sodium Magnesium namg  
274 Be2 Beryllium diatomic be2  
275 Be2- Beryllium diatomic anion be2-  
276 Be2+ Beryllium diatomic cation be2+  
277 BeMg Beryllium Magnesium bemg  
278 Mg2 Magnesium diatomic mg2  
279 Mg2- magnesium diatomic anion mg2-  
280 Mg2+ magnesium diatomic cation mg2+  
281 Ca2 Calcium diatomic ca2  
282 LiB Lithium boride lib  
283 LiAl Lithium Aluminum lial  
284 NaAl Sodium aluminum naal  
285 BeB Beryllium monoboride beb  
286 B2 Boron diatomic b2  
287 B2- Boron diatomic anion b2-  
288 B2+ Boron diatomic cation b2+  
289 BAl Boron Aluminum bal  
290 Al2 Aluminum diatomic al2  
291 Al2- aluminum diatomic anion al2-  
292 Al2+ aluminum diatomic cation al2+  
293 BGa Boron Gallium bga  
294 AlGa Aluminum Gallium alga  
295 Ga2 Gallium diatomic ga2  
296 HBBH Diborane(2) hbbh  
297 LiBH4 Lithium borohydride libh4  
298 B2H4 Diborane(4) D2d b2h4  
299 HBHHBH Diborane(4) C2V hbhhbh  
300 B2H6 Diborane b2h6  
301 B2H6+ Diborane cation b2h6  
302 Al2H6 dialane al2h6  
303 Ga2H6 digallane ga2h6  
304 LiC Lithium Carbide lic  
305 BeC Beryllium Carbide bec  
306 CaC Calcium monocarbide cac  
307 BC boron monocarbide bc  
308 BC- boron monocarbide anion bc-  
309 BC+ boron monocarbide cation bc+  
310 AlC Aluminum carbide alc  
311 BSi Boron silicide bsi  
312 C2 Carbon diatomic c2  
313 C2- carbon diatomic anion c2-  
314 C2+ carbon diatomic cation c2+  
315 SiC silicon monocarbide sic  
316 SiC- silicon monocarbide anion sic-  
317 SiC+ silicon monocarbide cation sic+  
318 Si2 Silicon diatomic si2  
319 Si2- silcon diatomic anion si2-  
320 Si2+ silcon diatomic cation si2+  
321 GeC Germanium monocarbide gec  
322 SiGe Silicon Germanium sige  
323 Ge2 Germanium diatomic ge2  
324 C2H Ethynyl radical c2h  
325 C2H- Ethynyl anion c2h-  
326 C2H+ Ethynyl cation c2h+  
327 ZnCH2 Zinc methylene znch2  
328 C2H2+ acetylene cation c2h2+  
329 CCH2 vinylidene vinylidene  
330 H2CC- vinylidene anion h2cc-  
331 HCCH- acetylene anion c2h2-  
332 Si2H2 disilyne si2h2  
333 CH3Li methyl lithium ch3li  
334 CuCH3 monomethyl copper cuch3  
335 ZnCH3 Zinc monomethyl znch3  
336 CH2BH methyleneborane ch2bh  
337 C2H3 vinyl c2h3  
338 C2H3- vinyl anion c2h3-  
339 C2H3+ vinyl cation c2h3+  
340 C2H4- Ethylene anion c2h4-  
341 C2H4+ Ethylene cation c2h4+  
342 CH3CH methylmethylene ch3ch  
343 CH2SiH2 silaethylene ch2sih2  
344 Si2H4 Disilene si2h4  
345 CH3BH2 methylborane ch3bh2  
346 C2H5 Ethyl radical c2h5  
347 C2H5- Ethyl anion c2h5-  
348 C2H5+ Ethyl cation c2h5+  
349 C2H6+ ethane cation c2h6+  
350 CH3SiH3 methyl silane ch3sih3  
351 Si2H6 disilane si2h6  
352 GeH3CH3 methyl germane geh3ch3  
353 C2H7+ Ethane, protonated c2h7+  
354 LiN Lithium Nitride lin  
355 LiN+ Lithium Nitride cation lin+  
356 LiP Lithium monophosphide lip  
357 BeN Beryllium mononitride ben  
358 BeN- Beryllium mononitride anion ben-  
359 BeN+ Beryllium mononitride cation ben+  
360 MgN Magnesium Nitride mgn  
361 BN- boron nitride anion bn-  
362 AlN- aluminum mononitride anion aln-  
363 AlN+ aluminum mononitride cation aln+  
364 BP Boron monophosphide bp  
365 AlP Aluminum monophosphide alp  
366 GaN Gallium mononitride gan  
367 GaP Gallium monophosphide gap  
368 GaAs Gallium arsenide gaas  
369 BN+ boron nitride cation bn+  
370 CN Cyano radical cn  
371 CN- cyanide anion cn-  
372 CN+ Cyano cation cn+  
373 CP Carbon monophosphide cp  
374 CP- carbon monophosphide anion cp-  
375 CP+ carbon monophosphide cation cp+  
376 SiN Silicon nitride sin  
377 SiN- silicon mononitride anion sin-  
378 SiN+ silicon mononitride cation sin+  
379 SiP Silicon monophosphide sip  
380 SiP- Silicon monophosphide anion sip-  
381 SiP+ Silicon monophosphide cation sip+  
382 TiN Titanium mononitride tin  
383 N2- nitrogen diatomic anion n2-  
384 N2+ diatomic nitrogen cation n2+  
385 PN Phosphorus mononitride pn  
386 PN- phosphorus nitride anion pn-  
387 PN+ phosphorus nitride cation pn+  
388 P2 Phosphorus diatomic p2  
389 P2- phosphorus diatomic anion p2-  
390 P2+ phosphorus diatomic cation p2+  
391 AsN Arsenic mononitride asn  
392 AsP Arsenic monophosphide asp  
393 SbN Antimony nitride sbn  
394 As2 Arsenic diatomic as2  
395 HNB hydrogen nitrogen boron hnb  
396 HNC hydrogen isocyanide hnc  
397 HCN Hydrogen cyanide hcn  
398 HCN- Hydrogen cyanide anion hcn-  
399 HCN+ hydrogen cyanide cation hcn+  
400 HNC+ hydrogen isocyanide cation hnc+  
401 HCP Phosphaethyne hcp  
402 HCP+ Phosphaethyne cation hcp+  
403 NNH Dinitrogen monohydride nnh  
404 NNH+ Dinitrogen monohydride cation nnh+  
405 HPO Hydrogen phosphorus oxide hpo  
406 HPO+ Hydrogen phosphorus oxide cation hpo+  
407 LiNH2 lithium amide linh2  
408 HBNH Boranimine hbnh  
409 CNH2 Aminomethylidyne radical cnh2  
410 CNH2+ N-protonated hydrogen isocyanide cnh2+  
411 H2CN Dihydrogen cyanide radical h2cn  
412 H2CN+ hydrocyanonium cation h2cn+  
413 HCNH methyleneazane hcnh  
414 HCNH+ N-protonated HCN hcnh+  
415 H2NN Isodiazene h2nn  
416 N2H2 (Z)-Diazene n2h2z  
417 N2H2+ trans-diazene cation n2h2+  
418 CH2NH Methanimine ch3n  
419 CH2NH+ Methanimine cation ch2nh+  
420 CHNH2 aminomethylene chnh2  
421 CHNH2+ Aminocarbene cation chnh2+  
422 CH2PH Phosphaethene ch3p  
423 BH2NH2 Boranamine bh2nh2  
424 CH2NH2+ methyleneamine cation ch2nh2+  
425 N2H4 Hydrazine n2h4  
426 N2H4+ hydrazine cation n2h4+  
427 P2H4 Diphosphine p2h4  
428 CH3NH2 methyl amine ch3nh2  
429 CH3NH2+ methyl amine cation ch3nh2+  
430 CH3PH2 Methyl phosphine ch3ph2  
431 SiH3NH2 Silane, amino sih3nh2  
432 N2H5+ protonated hydrazine n2h5+  
433 BH3PH3 borane phosphine bh3ph3  
434 BH3NH3 borane ammonia bh3nh3  
435 CH3NH3 methyl ammonium radical ch3nh3  
436 CH3NH3+ protonated methylamine ch3nh3+  
437 CH3PH3+ methyl phosphine, protonated ch3ph3+  
438 NH3NH3 Ammonia Dimer nh3nh3  
439 N2H7+ ammonia ammonium dimer n2h7+  
440 LiO lithium oxide lio  
441 LiO- lithium oxide anion lio-  
442 LiO+ lithium oxide cation lio+  
443 LiS Lithium monosulfide lis  
444 LiS+ Lithium sulfide cation lis+  
445 NaO sodium monoxide nao  
446 NaO- sodium oxide anion nao-  
447 NaO+ sodium oxide cation nao+  
448 KO Potassium monoxide ko  
449 KO+ Potassium monoxide cation ko+  
450 NaS Sodium sulfide nas  
451 CuO Copper Monoxide cuo  
452 LiSe Lithium monoselenide lise  
453 BeO beryllium oxide beo  
454 BeO- Beryllium monoxide anion beo-  
455 BeO+ Beryllium monoxide cation beo+  
456 BeS beryllium sulfide bes  
457 MgO magnesium oxide mgo  
458 MgO- magnesium oxide anion mgo-  
459 MgO+ magnesium oxide cation mgo+  
460 CaO Calcium monoxide cao  
461 MgS magnesium sulfide mgs  
462 MgS- magnesium sulfide anion mgs-  
463 MgS+ magnesium sulfide cation mgs+  
464 CaS Calcium sulfide cas  
465 ZnO zinc monoxide zno  
466 ZnS Zinc sulfide zns  
467 BeS- Beryllium monosulfide anion bes-  
468 BeS+ Beryllium monosulfide cation bes+  
469 BO boron monoxide bo  
470 AlO Aluminum monoxide alo  
471 AlO- Aluminum monoxide anion alo-  
472 AlO+ aluminum monoxide cation alo+  
473 BS boron sulfide bs  
474 BS- boron monosulfide anion bs-  
475 BS+ boron monosulfide cation bs+  
476 AlS Aluminum sulfide als  
477 AlS- aluminum monosulfide anion als-  
478 AlS+ aluminum monosulfide cation als+  
479 ScO Scandium monoxide sco  
480 GaO Gallium monoxide gao  
481 GaS Gallium monosulfide gas  
482 BO+ boron monoxide cation bo+  
483 CO- carbon monoxide anion co-  
484 CO+ carbon monoxide cation co+  
485 CS carbon monosulfide cs  
486 CS- carbon monosulfide anion cs-  
487 CS+ carbon monosulfide cation cs+  
488 SiO Silicon monoxide sio  
489 SiO- silicon monoxide anion sio-  
490 SiO+ silicon monoxide cation sio+  
491 SiS silicon monosulfide sis  
492 SiS- silicon monosulfide anion sis-  
493 SiS+ silicon monosulfide cation sis+  
494 TiO Titanium monoxide tio  
495 CSe- Carbon monoselenide anion cse-  
496 CSe+ Carbon monoselenide cation cse+  
497 GeO Germanium monoxide geo  
498 GeO+ Germanium monoxide cation geo+  
499 GeS Germanium monosulfide ges  
500 SiSe Silicon Monoselenide sise  
501 SiSe+ Silicon Monoselenide cation sise+  
502 GeSe Germanium monoselenide gese  
503 NO- nitric oxide anion no-  
504 NO+ nitric oxide cation no+  
505 NS Mononitrogen monosulfide ns  
506 NS- nitrogen sulfide anion ns-  
507 NS+ nitrogen sulfide cation ns+  
508 PO Phosphorus monoxide po  
509 PO- phosphorus monoxide anion po-  
510 PO+ phosphorus monoxide cation po+  
511 PS phosphorus sulfide ps  
512 PS- phosphorus monosulfide anion ps-  
513 PS+ phosphorus monosulfide cation ps+  
514 VO Vanadium monoxide vo  
515 AsO Arsenic monoxide aso  
516 NSe Nitrogen monoselenide nse  
517 AsS Arsenic monosulfide ass  
518 PSe Phosphorus monoselenide pse  
519 AsSe Arsenic monoselenide asse  
520 O2- oxygen diatomic anion o2-  
521 O2-- dioxygen dianion o2--  
522 O2+ diatomic oxygen cation o2+  
523 SO Sulfur monoxide so  
524 SO- sulfur monoxide anion so-  
525 SO+ sulfur monoxide cation so+  
526 S2 Sulfur diatomic s2  
527 S2- sulfur diatomic anion s2-  
528 S2+ sulfur diatomic cation s2+  
529 SeO- selenium monoxide anion seo-  
530 SeO+ selenium monoxide cation seo+  
531 SeS- selenium monosulfide anion ses-  
532 SeS+ selenium monosulfide cation ses+  
533 TeO Tellurium monoxide teo  
534 Se2 Selenium diatomic se2  
535 Se2- selenium diatomic anion se2-  
536 Se2+ selenium diatomic cation se2+  
537 Te2 Tellurium diatomic te2  
538 LiOH lithium hydroxide lioh  
539 NaOH sodium hydroxide naoh  
540 KOH Potassium hydroxide koh  
541 BeOH beryllium monohydroxide beoh  
542 MgOH magnesium hydroxide mgoh  
543 CaOH Calcium monohydroxide caoh  
544 HBO Boron hydride oxide hbo  
545 HBS hydrogen boron sulfide hbs  
546 COH Hydroxymethylidyne coh  
547 COH+ Carbon Monoxide, protonated coh+  
548 HCO Formyl radical hco  
549 HCO- formyl anion hco-  
550 HCO+ Formyl cation hco+  
551 HCS Thioformyl radical hcs  
552 HCS- Thioformyl anion hcs-  
553 HCS+ Thioformyl cation hcs+  
554 HNO Nitrosyl hydride hno  
555 HNO- Nitrosyl hydride anion hno-  
556 HNO+ Nitrosyl hydride cation hno+  
557 NOH Hydroxyimidogen noh  
558 NOH+ O-protonated nitric oxide noh+  
559 HNS Sulfur imide hns  
560 HNS- Sulfur imide anion hns-  
561 HO2 Hydroperoxy radical ho2  
562 HO2- Hydroperoxy anion ho2-  
563 HO2+ Hydroperoxy cation ho2+  
564 HSO+ Sulfur Monoxide, S-protonated HSO+  
565 SOH Sulfur Hydroxide soh  
566 SOH+ Sulfur Monoxide, protonated soh+  
567 HS2 Thiosulfeno radical hs2  
568 H2CO- formaldehyde anion h2co-  
569 H2CO+ formaldehyde cation h2co+  
570 HOCH hydroxycarbene hoch  
571 H2CS Thioformaldehyde h2cs  
572 H2CS- thioformaldehyde anion h2cs-  
573 H2CS+ thioformaldehyde cation h2cs+  
574 H2CSe Selenoformaldehyde h2cse  
575 H2NO nitroxide h2no  
576 H2O2 Hydrogen peroxide h2o2  
577 H2O2+ Hydrogen peroxide cation h2o2+  
578 H2OO water oxide h2oo  
579 HOSH hydrogen thioperoxide hosh  
580 H2S2 Disulfane h2s2  
581 H2S2+ hydrogen disulfide cation h2s2+  
582 H2Se2 hydrogen diselenide h2se2  
583 CH2OH Hydroxymethyl radical ch2oh  
584 CH2OH+ hydroxymethyl cation ch2oh+  
585 CH3O Methoxy radical ch3o  
586 CH3O- methoxy anion ch3o-  
587 CH3O+ Methoxy cation ch3o+  
588 CH3S thiomethoxy ch3s  
589 H2CSH+ Thioformaldehyde, protonated h2csh+  
590 NH2OH hydroxylamine nh2oh  
591 NH2OH+ Hydroxylamine cation nh2oh+  
592 NH3O Ammonia Oxide nh3o  
593 H2POH Phosphinous acid h2poh  
594 H3PO Phosphine oxide h3po  
595 NH2SH Thiohydroxylamine nh2sh  
596 NH3S sulfidoazane nh3s  
597 H3O2+ hydrogen peroxide, protonated h3o2+  
598 CH3OH Methyl alcohol ch3oh  
599 CH3OH- Methyl alcohol anion ch3oh-  
600 CH3OH+ Methyl alcohol cation ch3oh+  
601 CH3SH Methanethiol ch3sh  
602 CH3SH+ Methanethiol cation ch3sh+  
603 SiH3OH silanol sih3oh  
604 CH3SeH Methane selenol ch3seh  
605 NH2OH2+ protonated hydroxylamine nh2oh2+  
606 NH3OH+ N-protonated hydroxylamine nh3oh+  
607 H2OH2O water dimer h2oh2o  
608 CH3OH2+ Methanol, protonated ch3oh2+  
609 CH3SH2+ protonated methylsulfide ch3sh2+  
610 H2ONH3 Water Ammonia Dimer h2onh3  
611 H5O2+ Dihydroxonium ion h5o2+  
612 LiF lithium fluoride lif  
613 LiCl lithium chloride licl  
614 LiCl- lithium chloride anion licl-  
615 LiCl+ lithium chloride cation licl+  
616 NaF sodium fluoride naf  
617 NaF- sodium fluoride anion naf-  
618 NaF+ sodium fluoride cation naf+  
619 KF Potassium Fluoride kf  
620 NaCl Sodium Chloride nacl  
621 NaCl- sodium chloride anion nacl-  
622 NaCl+ sodium chloride cation nacl+  
623 KCl Potassium Chloride kcl  
624 CuF Copper monofluoride cuf  
625 LiBr Lithium Bromide libr  
626 LiBr- lithium bromide anion libr-  
627 LiBr+ lithium bromide cation libr+  
628 CuCl Copper monochloride cucl  
629 NaBr Sodium Bromide nabr  
630 NaBr- sodium bromide anion nabr-  
631 NaBr+ sodium bromide cation nabr+  
632 KBr Potassium Bromide kbr  
633 LiI Lithium Iodide lii  
634 NaI Sodium Iodide nai  
635 KI Potassium Iodide ki  
636 LiF- lithium fluoride anion lif-  
637 LiF+ lithium fluoride cation lif+  
638 BeF Beryllium monofluoride bef  
639 BeF- Beryllium monofluoride anion bef-  
640 BeF+ Beryllium monofluoride cation bef+  
641 BeCl beryllium monochloride becl  
642 MgF Magnesium monofluoride mgf  
643 MgF- magnesium fluoride anion mgf-  
644 MgF+ magnesium fluoride cation mgf+  
645 CaF Calcium monofluoride caf  
646 MgCl magnesium monochloride mgcl  
647 MgCl- magnesium monochloride anion mgcl-  
648 MgCl+ magnesium monochloride cation mgcl+  
649 CaCl calcium monochloride cacl  
650 TiCl Titanium Monochloride ticl  
651 ZnF Zinc monofluoride znf  
652 ZnF- Zinc monofluoride anion znf-  
653 ZnF+ Zinc monofluoride cation znf+  
654 ZnCl Zinc monochloride zncl  
655 CaBr Calcium monobromide cabr  
656 BeCl- beryllium monochloride anion becl-  
657 BeCl+ beryllium monochloride cation becl+  
658 BF- Boron monofluoride anion bf-  
659 BF+ Boron monofluoride cation bf+  
660 AlF Aluminum monofluoride alf  
661 AlF- Aluminum monofluoride anion alf-  
662 AlF+ Aluminum monofluoride cation alf+  
663 BCl boron monochloride bcl  
664 BCl- boron monochloride anion bcl-  
665 BCl+ boron monochloride cation bcl+  
666 AlCl Aluminum monochloride alcl  
667 AlCl- aluminum monochloride anion alcl-  
668 AlCl+ aluminum monochloride cation alcl+  
669 ScF Scandium monofluoride scf  
670 BBr Boron monobromide bbr  
671 GaF Gallium monofluoride gaf  
672 GaF+ Gallium monofluoride cation gaf+  
673 AlBr Aluminum monobromide albr  
674 GaCl Gallium monochloride gacl  
675 GaCl+ Gallium monochloride cation gacl+  
676 AlI Aluminum monoiodide ali  
677 GaBr Gallium monobromide gabr  
678 CF Fluoromethylidyne cf  
679 CF+ carbon monofluoride cation cf+  
680 CCl carbon monochloride ccl  
681 CCl- carbon monochloride anion ccl-  
682 CCl+ carbon monochloride cation ccl+  
683 SiF silicon monofluoride sif  
684 SiF- silicon monofluoride anion sif-  
685 SiF+ silicon monofluoride cation sif+  
686 SiCl Clorosilylidyne sicl  
687 SiCl- silicon monochloride anion sicl-  
688 SiCl+ silicon monochloride cation sicl+  
689 CBr Carbon monobromide cbr  
690 GeF Germanium monofluoride gef  
691 GeF+ Germanium monofluoride cation gef+  
692 GeCl Germanium monochloride gecl  
693 GeCl+ Germanium monochloride cation gecl+  
694 SiBr Silicon monobromide sibr  
695 SiBr+ Silicon monobromide cation sibr+  
696 NF nitrogen fluoride nf  
697 NF- nitrogen monofluorine anion nf-  
698 NF+ nitrogen monofluoirde cation nf+  
699 NCl nitrogen monochloride ncl  
700 NCl- nitrogen monochloride anion ncl-  
701 NCl+ nitrogen monochloride cation ncl+  
702 PF phosphorus monofluoride pf  
703 PF- phosphorus monofluoride anion pf-  
704 PF+ phosphorus monofluoride cation pf+  
705 PCl phosphorus chloride pcl  
706 PCl- phosphorus monochloride anion pcl-  
707 PCl+ phosphorus monochloride cation pcl+  
708 AsF Arsenic monofluoride asf  
709 NBr nitrogen monobromide nbr  
710 AsCl Arsenic monochloride ascl  
711 PBr Phosphorus monobromide pbr  
712 SbF Antimony monofluoride sbf  
713 SbCl Antimony monochloride sbcl  
714 FO Oxygen monofluoride fo  
715 FO- flourine oxide anion fo-  
716 FO+ fluorine monoxide cation fo+  
717 ClO Monochlorine monoxide clo  
718 ClO- chlorine monoxide anion clo-  
719 ClO+ chlorine monoxide cation clo+  
720 SF Monosulfur monofluoride sf  
721 SF- sulfur monofluoride anion sf-  
722 SF+ sulfur monofluoride cation sf+  
723 SCl sulfur monochloride scl  
724 SCl- sulfur monochloride anion scl-  
725 SCl+ sulfur monochloride cation scl+  
726 BrO Bromine monoxide bro  
727 BrO- Bromine monoxide anion bro-  
728 BrO+ Bromine monoxide cation bro+  
729 SeF Selenium monofluoride sef  
730 SBr Sulfur monobromide radical sbr  
731 SBr+ Sulfur monobromide cation sbr+  
732 SeCl Selenium monochloride secl  
733 IO Iodine monoxide io  
734 SeBr Selenium monobromide sebr  
735 BrCl Bromine monochloride brcl  
736 F2- flourine diatomic anion f2-  
737 F2+ flourine diatomic cation f2+  
738 ClF Chlorine monofluoride clf  
739 ClF- clorine monofluoride anion clf-  
740 ClF+ clorine monofluoride cation clf+  
741 Cl2- chlorine diatomic anion cl2-  
742 Cl2+ chlorine diatomic cation cl2+  
743 BrF Bromine monofluoride brf  
744 BrF- bromine fluoride anion brf-  
745 BrF+ bromine fluoride cation brf+  
746 BrCl- bromine chloride anion brcl-  
747 BrCl+ bromine chloride cation brcl+  
748 IF Iodine monofluoride if  
749 Br2 Bromine diatomic br2  
750 Br2- bromine diatomic anion br2-  
751 Br2+ bromine diatomic cation br2+  
752 ICl Iodine monochloride icl  
753 IBr Iodine monobromide ibr  
754 I2 Iodine diatomic i2  
755 I2+ Iodine diatomic cation i2+  
756 HCF Fluoromethylene hcf  
757 HCCl Chloromethylene hccl  
758 HSiF fluorosilylene hsif  
759 HSiCl Chlorosilylene hsicl  
760 HSiBr monobromosilylene hsibr  
761 CHBr bromomethylene chbr  
762 HOF Hypofluorous acid hfo  
763 DOCl Hypochlorous acid-d docl  
764 HOCl hypochlorous acid hocl  
765 HOCl+ hypochlorous acid cation hocl+  
766 HOBr Hypobromous acid hobr  
767 HOBr+ Hypobromous acid cation hobr+  
768 HOI Hypoiodous acid hoi  
769 F2H+ Fluorine, protonated f2h+  
770 FHF Hydrogen difluoride fhf  
771 FHF- Hydrogen difluoride anion fhf-  
772 ClFH+ Chlorine fluoride, F-protonated clfh+  
773 FClH+ Chlorine fluoride, Cl-protonated fclh+  
774 Cl2H+ Chlorine, protonated cl2h+  
775 CH2Br bromomethyl radical ch2br  
776 CH2F fluoromethyl radical ch2f  
777 CH2F+ fluoromethyl cation ch2f+  
778 CH2Cl+ chloromethyl cation ch2cl+  
779 CH2Cl chloromethyl radical ch2cl  
780 NH2F monofluoroamine nh2f  
781 NH2Cl chloramine nh2cl  
782 H2F2 Hydrogen fluoride dimer h2f2  
783 CH3F+ methyl fluoride cation ch3f+  
784 CD3F methylfluoride-d3 cd3f  
785 CH3F Methyl fluoride ch3f  
786 CD3Cl methyl chloride d3 cd3cl  
787 CH3Cl Methyl chloride ch3cl  
788 CH3Cl+ Methyl chloride cation ch3cl+  
789 SiH3F monofluorosilane sih3f  
790 SiH3Cl chlorosilane sih3cl  
791 CH3Br methyl bromide ch3br  
792 GeH3F monofluorogermane geh3f  
793 GeH3Cl monochlorogermane geh3cl  
794 SiH3Br bromosilane sih3br  
795 CH3I methyl iodide ch3i  
796 SiH3I Silyl Iodide sih3i  
797 NH3Cl+ protonated monochloroammonia nh3cl+  
798 CH3ClH+ methyl chloride, protonated ch3clh+  
799 NH4Cl Ammonium chloride nh4cl  
800 LiNe+ Lithium Neon cation line+  
801 Ne2 Neon diatomic ne2  
802 Ne2+ Neon diatomic cation ne2+  
803 Ar2 Argon diatomic ar2  
804 Ar2+ Argon diatomic cation ar2+  
805 Li3 Lithium trimer li3  
806 Li3+ Lithium trimer cation li3+  
807 C3 carbon trimer c3  
808 C3+ carbon trimer cation c3+  
809 SiC2 Silicon dicarbide sic2  
810 C3H3 cyclopropenyl radical cpr  
811 C3H3 Propargyl radical propargyl  
812 C3H3- Propargyl anion c3h3-  
813 C3H3+ cyclopropenyl cation cpr+  
814 C3H3+ Propargyl cation c3h3+  
815 C3H4 cyclopropene cprop  
816 CH2CCH2 allene allene  
817 CH3CCH propyne propyne  
818 C3H5+ Allyl cation allyl+  
819 CH3CHCH 1-propenyl radical ch3chch  
820 Zn(CH3)2 dimethyl zinc dmz  
821 C3H7 n-Propyl radical npropyl  
822 C3H7+ cyclopropane, protonated c3h7+  
823 CH3CHCH3 Isopropyl radical isopropyl  
824 CH3CHCH3+ Isopropyl cation prop2yl+  
825 C3H8 Propane propane  
826 SiH2(CH3)2 dimethylsilane dms  
827 Si3H8 trisilane si3h8  
828 LiCN lithium cyanide licn  
829 NaCN Sodium Cyanide nacn  
830 KCN Potassium cyanide kcn  
831 CuCN Copper cyanide cucn  
832 ZnCN Zinc monocyanide zncn  
833 ZnNC Zinc isocyanide znnc  
834 AlCN Aluminum monocyanide alcn  
835 AlNC Aluminum isocyanide alnc  
836 CN2 3H-Diazirin-3-ylidene cn2  
837 CNN Diazocarbene cnn  
838 NCN Cyanoimidogen ncn  
839 N3 azide radical n3  
840 N3- azide anion n3-  
841 N3+ azide cation n3+  
842 HCCN cyanomethylene hccn  
843 HCNN diazomethyl radical hcnn  
844 HN3+ Hydrazoic acid cation hn3+  
845 HNCNH diiminomethane hncnh  
846 CH2N2 diazirine ch2n2  
847 CH2NN diazomethane ch2nn  
848 NH2CN cyanamide cyanamide  
849 HNNNH+ 1,2-Triazadienium n2h3+  
850 NH2NN+ hydrazoic acid, protonated nh2nn+  
851 CH3CN Acetonitrile ch3cn  
852 CH3CN- acetonitrile anion ch3cn-  
853 CH3CN+ Acetonitrile cation ch3cn+  
854 CH3NC methyl isocyanide ch3nc  
855 CHNCH2 2H-Azirine c157164  
856 CHNHCH 1H-Azirine chnhch  
857 H2CCNH Ethenimine ch2cnh  
858 H2CNCH methyleneaminomethylene ch2nch  
859 HCCNH2 Ethynamine hccnh2  
860 HCNCH2+ 2H-Azirine cation hcnch2+  
861 HNCNH2+ diiminomethane, protonated hncnh2+  
862 NCNH3+ Cyanamide, protonated ncnh3+  
863 NH2CNH+ cyanamide, cn protonated nh2cnh+  
864 NH3CN+ cyanamide, amine protonated nh3cn+  
865 CH2CHNH vinylazine ch2chnh  
866 CH3CHN methylmethaniminyl radical ch3chn  
867 C2H5N Aziridine c2h5n  
868 CH2CHNH2 aminoethene aminoethene  
869 CH2NCH3 N-methylmethanimine nmm  
870 CH3CHNH ethanimine ethanimine  
871 NH2BHNH2 diaminoborane nh2bhnh2  
872 C2H5NH+ Protonated Aziridine c2h5nh+  
873 C2H6N+ aziridine, protonated c2h6n+  
874 NH2CH2NH2 diaminomethane nh2ch2nh2  
875 CH3CH2NH2 Ethylamine etam  
876 CH3NHCH3 Dimethylamine ch3nhch3  
877 CH3PHCH3 dimethylphosphine ch3phch3  
878 NH2CH2NH3+ diaminoethane, protonated pdam  
879 (CH3)2NH2+ dimethylammonium cation dmam  
880 CH3CH2NH3+ ethylamine, protonated pea  
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 radical ch3co  
977 CH3CO- Acetyl anion ch3co-  
978 CH3CO+ acetyl cation ch3co+  
979 CH2NOH formaldoxime ch2noh  
980 CH3NO nitrosomethane ch3no  
981 CHONH2 formamide formamide  
982 CNOH3 1,2-oxaziridine cnoh3  
983 HOCHNH hydroxymethylimine hochnh  
984 CHSNH2 thioformamide chsnh2  
985 NHCHSH Methanimidothioic acid nhchsh  
986 CH2OOH CH2OOH radical ch2ooh  
987 CH3OO methylperoxy radical ch3oo  
988 CH3OO- methylperoxy anion ch3oo-  
989 CH3OO+ methylperoxy cation ch3oo+  
990 C2H4O Ethylene oxide c2h4o  
991 C2H4O+ ethylene oxide cation c2h4o+  
992 CH2CHOH ethenol ch2choh  
993 CH3CHO Acetaldehyde ch3cho  
994 CH3CHO+ acetaldehyde cation ch3cho+  
995 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
996 C2H4S Thiirane thiirane  
997 CH2CHSH Ethenethiol ch2chsh  
998 CH3CHS Thioacetaldehyde ch3chs  
999 H2CONH2+ protonated formamide h2conh2+  
1000 NH2CHOH+ Formamide, O-protonated nh2choh+  
1001 NH3CHO+ Formamide, N-Protonated nh3cho+  
1002 CH2(OH)2 methanediol ch2o2h2  
1003 CH3OOH Methyl peroxide ch3ooh  
1004 CH3SSH Hydrogen methyl disulfide ch3ssh  
1005 HSCH2SH Methanedithiol ch4s2  
1006 H2OH2CO water formaldehyde dimer h2oh2co  
1007 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1008 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1009 CH3CH2O Ethoxy radical ethoxy  
1010 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1011 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1012 CH3OCH2 methoxymethyl radical ch3och2  
1013 NH2CH2OH aminomethanol nh2ch2oh  
1014 CH3CH2OH Ethanol etoh  
1015 CH3OCH3 Dimethyl ether meome  
1016 CH3CH2SH ethanethiol etsh  
1017 CH3SCH3 Dimethyl sulfide mesme  
1018 CH3SCH3+ dimethyl sulfide cation mesme+  
1019 CH3SeCH3 dimethylselenide dmse  
1020 CH3OHH2O methanol water dimer ch3ohh2o  
1021 H2OCH3OH water methanol dimer h2och3oh  
1022 CuF2 Copper difluoride cuf2  
1023 ZnF2 Zinc difluoride znf2  
1024 CNF iso cyanogen fluoride cnf  
1025 FCN Cyanogen fluoride fcn  
1026 ClCN chlorocyanogen clcn  
1027 BrCN Cyanogen bromide brcn  
1028 ICN Cyanogen iodide icn  
1029 FBO Boron monofluoride monoxide fbo  
1030 BeF2 Beryllium fluoride bef2  
1031 MgF2 Magnesium fluoride mgf2  
1032 BeCl2 Beryllium chloride becl2  
1033 MgCl2 Magnesium dichloride mgcl2  
1034 CaCl2 Calcium Chloride cacl2  
1035 ZnCl2 Zinc dichloride zncl2  
1036 BeBr2 Beryllium bromide bebr2  
1037 CaBr2 Calcium dibromide cabr2  
1038 CaF2 Calcium difluoride caf2  
1039 FCO Carbonyl fluoride fco  
1040 FCO+ Carbonyl fluoride cation fco+  
1041 ClCO carbonyl monochloride clco  
1042 BF2 Boron difluoride radical bf2  
1043 FNO Nitrosyl fluoride fno  
1044 ClNO Nitrosyl chloride clno  
1045 FNS Thionitrosyl fluoride fns  
1046 FSN Thiazyl fluoride fsn  
1047 OPCl Phosphorus oxychloride opcl  
1048 BrNO Nitrosyl bromide brno  
1049 INO Nitrosyl iodide ino  
1050 CF2 Difluoromethylene cf2  
1051 CF2- Difluoromethylene anion cf2-  
1052 CF2+ Difluoromethylene cation cf2+  
1053 CFCl chlorofluoromethylene cfcl  
1054 SiF2 Silicon difluoride sif2  
1055 SiF2+ Silicon difluoride cation sif2+  
1056 CCl2 dichloromethylene ccl2  
1057 CCl2- dichloromethylene anion ccl2-  
1058 CCl2+ dichloromethylene cation ccl2+  
1059 SiCl2 Dichlorosilylene sicl2  
1060 GeF2 Germanium difluoride gef2  
1061 GeCl2 Germanium dichloride gecl2  
1062 CBr2 dibromomethylene cbr2  
1063 FOO Dioxygen monofluoride radical foo  
1064 FOO+ Fluorine dioxide cation foo+  
1065 ClOO chloroperoxy radical cloo  
1066 ClOO+ chloroperoxy cation cloo+  
1067 OClO Chlorine dioxide oclo  
1068 OClO- Chlorine dioxide anion oclo-  
1069 OClO+ Chlorine dioxide cation oclo+  
1070 ClSO Sulfur chloride oxide clso  
1071 ClS2 Sulfur chloride cls2  
1072 BrOO Bromine dioxide broo  
1073 OBrO Bromine dioxide radical obro  
1074 NF2 Difluoroamino radical nf2  
1075 NF2+ Difluoroamino cation nf2+  
1076 PF2 Phosphorus difluoride pf2  
1077 PF2+ Phosphorus difluoride cation pf2+  
1078 FClO chlorosyl fluoride fclo  
1079 F2O Difluorine monoxide f2o  
1080 ClOF Chlorine hypofluorite clof  
1081 SF2 sulfur difluoride sf2  
1082 SF2- sulfur difluoride anion sf2-  
1083 SF2+ sulfur difluoride cation sf2+  
1084 Cl2O Dichlorine monoxide cl2o  
1085 SCl2 Sulfur dichloride scl2  
1086 SeF2 Selenium difluoride sef2  
1087 BrOCl Bromine hypochlorite brocl  
1088 SeCl2 Selenium Dichloride secl2  
1089 SBr2 Sulfur dibromide sbr2  
1090 SeBr2 Selenium dibromide sebr2  
1091 BrOBr Bromine oxide brobr  
1092 F3- trifluoride anion f3-  
1093 Cl3- trichloride anion cl3-  
1094 Br3- tribromide anion br3-  
1095 I3- triiodide i3-  
1096 SFCl Sulfur chloride fluoride sfcl  
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 cation c4+  
1147 C4H2 Diacetylene c4h2  
1148 C4H2+ diacetlyene cation c4h2+  
1149 C2H3CCH 1-Buten-3-yne c2h3cch  
1150 C4H4 cyclobutadiene cbd  
1151 C4H4 Tetrahedrane c4h4  
1152 H2CCCCH2 Butatriene h2cccch2  
1153 C4H6 1-Methylcyclopropene c3100047  
1154 C4H6 Cyclobutene c822355  
1155 C4H6 Methylenecyclopropane c6142730  
1156 CH2CCHCH3 1,2-Butadiene butad12  
1157 CH2CHCHCH2 1,3-Butadiene c106990  
1158 CH3CCCH3 2-Butyne c503173  
1159 CHCCH2CH3 1-Butyne c107006  
1160 CH3CHCHCH2 methylallyl radical c4h7  
1161 C4H8 methylcyclopropane mcp  
1162 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1163 CH2CHCH2CH3 1-Butene bute1  
1164 CH3CHCHCH3 2-Butene, (E)- bute2e  
1165 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1166 B(CH3)3 trimethylborane bme3  
1167 Al(CH3)3 trimethyl aluminum tma  
1168 C(CH3)3 Tert-butyl radical tbutyl  
1169 CH2CH(CH3)2 Isobutyl radical isobutyl  
1170 CH3CHCH2CH3 2-Butyl radical butyl2  
1171 CH3CH(CH3)CH3 Isobutane isobutane  
1172 CH3CH2CH2CH3 Butane butane  
1173 SiH(CH3)3 trimethylsilane trimsi  
1174 Li3N trilithium nitride li3n  
1175 C2N2 Cyanogen c2n2  
1176 C2N2+ Cyanogen cation c2n2+  
1177 P4 Phosphorus tetramer p4  
1178 As4 Arsenic tetramer as4  
1179 HCCCN Cyanoacetylene hcccn  
1180 HCCCN+ Cyanoacetylene cation hcccn+  
1181 H2CNCN cyanamide, methylene ch2ncn  
1182 HNCCNH Ethenediimine hnccnh  
1183 C3H3N acrylonitrile ch2chcn  
1184 C3H3N+ acrylonitrile cation ch2chcn+  
1185 CH3N3 methyl azide ch3n3  
1186 NH2CCNH2 Diaminoacetylene daa  
1187 NH2CH2CN Aminoacetonitrile aan  
1188 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1189 C2H5CN ethyl cyanide c2h5cn  
1190 CH5N3 Guanidine guanidine  
1191 C4H6 Bicyclo[1.1.0]butane c157335  
1192 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1193 H2NCHCHNH2 diaminoethylene dae  
1194 CH6N3+ guanidinium ch6n3+  
1195 C3H7N Cyclopropylamine cpram  
1196 CH7N3 triaminomethane tam  
1197 C3H7N Azetidine azet  
1198 C4H8 cyclobutane cbutane  
1199 C2H8N2 Ethylenediamine ethdiam  
1200 CH3NHNHCH3 dimethyl hydrazine dmh  
1201 CH3CH(NH2)CH3 2-Propanamine pram2  
1202 N(CH3)3 Trimethylamine trimeam  
1203 NH2CH2CH2CH3 1-Propanamine pram1  
1204 P(CH3)3 trimethylphosphine tmp  
1205 N(SiH3)3 trisilylamine tsa  
1206 As(CH3)3 trimethyl arsine tmas  
1207 (CH3)3NH+ protonated trimethyl amine ptma  
1208 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1209 Li2O2 dilithium dioxide li2o2  
1210 Na2O2 disodium dioxide na2o2  
1211 K2O2 dipotassium dioxide k2o2  
1212 C3O Tricarbon monoxide c3o  
1213 B2O2 Diboron dioxide b2o2  
1214 ONNO NO dimer onno  
1215 S2N2 Disulfur dinitride s2n2  
1216 CO3 Carbon trioxide co3  
1217 CO3-- carbonate co3--  
1218 CS3-- Carbonotrithioate cs3--  
1219 NO3 Nitrogen trioxide no3  
1220 NO3- nitrate anion no3-  
1221 NO3+ nitrogen trioxide cation no3+  
1222 SO3 Sulfur trioxide so3  
1223 SO3- Sulfur trioxide anion so3-  
1224 SO3-- Sulfate dianion so3--  
1225 SO3+ Sulfur trioxide cation so3+  
1226 SeO3 selenium trioxide seo3  
1227 S4 Sulfur tetramer s4  
1228 TeO3 Tellurium trioxide teo3  
1229 HCO3- bicarbonate anion hco3-  
1230 HNO3 Nitric acid hno3  
1231 HSO3 Hydroxysulfonyl radical hso3  
1232 NH2NO2 nitramide nh2no2  
1233 C2H2CO cyclopropenone c2h2co  
1234 C3H2O Propadienal c3h2o  
1235 HCCCHO 2-propynal hcccho  
1236 C2H2O2 Ethanedial c2h2o2  
1237 C2H2O2+ Ethanedial cation c2h2o2+  
1238 H2CO3 Carbonic acid h2co3  
1239 H2CS3 thiocarbonic acid h2cs3  
1240 H2NO3+ Nitric Acid, Protonated h2no3+  
1241 H2SO3 Sulfurous acid h2so3  
1242 C2H3NO Nitrosoethylene c2h3no  
1243 CH3NCO methylisocyante ch3nco  
1244 HOCH2CN cyanomethanol hoch2cn  
1245 CH3COO- acetate anion ch3coo-  
1246 CH3NO2 Methane, nitro- ch3no2  
1247 CH3ONO Methyl nitrite ch3ono  
1248 NH2COOH Carbamic acid nh2cooh  
1249 H3BO3 Boric acid h3bo3  
1250 H3AlO3 Aluminum hydroxide h3alo3  
1251 H3CO3+ carbonic acid, protonated h3co3+  
1252 C3H4O 2-Propyn-1-ol c107197  
1253 C3H4O Cyclopropanone cpone  
1254 C3H4O Methylketene c6004440  
1255 CH2CHCHO Acrolein c3h4o  
1256 NH2CONH2+ Urea cation urea+  
1257 NH2CSNH2 Thiourea thiourea  
1258 C2H4O2 1,3-dioxetane c2h4o2  
1259 CH3COOH Acetic acid ch3cooh  
1260 CH3OCHO methyl formate ch3ocho  
1261 CHOCH2OH hydroxy acetaldehyde haa  
1262 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1263 NH3COOH+ protonated Carbamic acid nh3cooh+  
1264 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1265 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1266 HCOOHH2O Formic acid water dimer hcoohh2o  
1267 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1268 CH3COCH2 Acetonyl radical ch3coch2  
1269 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1270 CH3C(OH)=NH Ethaninidic acid eia  
1271 CH3CHNOH Acetaldoxime acetaldoxime  
1272 CH3CONH2 Acetamide acetamide  
1273 HCONHCH3 N-methylformamide nmfa  
1274 CH3CSNH2 Ethanethioamide ch3csnh2  
1275 CH5N2O+ urea, N-protonated ch4n2o+  
1276 H2NCOHNH2+ urea, protonated ureah+  
1277 C2H5OO ethylperoxy radical c2h5oo  
1278 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1279 C3H5OH Cyclopropanol cproh  
1280 C3H6O 2-Propen-1-ol c107186  
1281 C3H6O Acetone enol enol  
1282 C3H6O Oxetane oxetane  
1283 C3H6O Propylene oxide prox  
1284 CH3CH2CHO Propanal propanal  
1285 CH3COCH3 Acetone acetone  
1286 CH3COCH3- acetone anion ch3coch3-  
1287 C3H6S Thietane thietane  
1288 C3H6S Thiirane, methyl- methiirane  
1289 CH3CSCH3 Thioacetone ch3csch3  
1290 C2H6O2 1,2-Ethanediol ethdiol  
1291 CH3OOCH3 dimethylperoxide dmp  
1292 CH3SOCH3 Dimethyl sulfoxide dmso  
1293 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1294 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1295 CH3COHCH3+ acetone, protonated acetoneh+  
1296 HOCH2CH2NH2 monoethanolamine mea  
1297 C3H7OH 1-Propanol proh  
1298 CH3CHOHCH3 Isopropyl alcohol isoproh  
1299 CH3OC2H5 Ethane, methoxy- etome  
1300 C3H7SH 1-Propanethiol prsh  
1301 CH3CHSHCH3 2-Propanethiol isoprsh  
1302 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1303 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1304 Li2F2 Lithium fluoride dimer li2f2  
1305 Na2F2 Sodium Fluoride Dimer na2f2  
1306 Na2Cl2 Disodium dichloride na2cl2  
1307 C2F2 difluoroacetylene c2f2  
1308 C2Cl2 dichloroacetylene c2cl2  
1309 C2Cl2+ dichloroacetylene cation c2cl2+  
1310 FNO2 Nitryl fluoride fno2  
1311 FONO Nitrosyl hypofluorite fono  
1312 ClNO2 Nitryl chloride clno2  
1313 ClONO chlorine nitrite clono  
1314 BrONO Bromine nitrite brono  
1315 N2F2 (Z)-Difluorodiazene n2f2_z  
1316 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1317 CF2O Carbonic difluoride f2co  
1318 CF2O+ Carbonic difluoride cation f2co+  
1319 COFCl Carbonic chloride fluoride cofcl  
1320 CCl2O Phosgene cl2co  
1321 Cl2CS Thiophosgene cl2cs  
1322 COBr2 Carbonic dibromide cobr2  
1323 BF3- Borane, trifluoro- anion bf3-  
1324 BF3+ boron trifluoride cation bf3+  
1325 BClF2 Chlorodifluoroborane bclf2  
1326 AlF2Cl Aluminum chloride difluoride alclf2  
1327 ScF3 Scandium trifluoride ScF3  
1328 AlFCl2 Aluminum dichloride fluoride alcl2f  
1329 BCl3 Borane, trichloro- bcl3  
1330 BCl3+ Boron Trichloride cation bcl3+  
1331 GaF3 Gallium trifluoride gaf3  
1332 AlCl3 Aluminum trichloride alcl3  
1333 GaCl3 Gallium trichloride gacl3  
1334 BBr3 Boron tribromide bbr3  
1335 AlBr3 Aluminum Bromide albr3  
1336 ClO3 Chlorine trioxide clo3  
1337 ClO3- chlorate anion clo3-  
1338 BrO3- Bromate anion bro3-  
1339 CF3 Trifluoromethyl radical cf3  
1340 CF3- Trifluoromethyl anion cf3-  
1341 CF3+ Trifluoromethyl cation cf3+  
1342 CF2Cl difluorochloromethyl radical cf2cl  
1343 SiF3 Silicon trifluoride radical sif3  
1344 SiF3+ Silicon trifluoride cation sif3+  
1345 CFCl2 dichlorofluoromethyl radical cfcl2  
1346 CCl3 Trichloromethyl radical ccl3  
1347 CCl3- Trichloromethyl anion ccl3-  
1348 CCl3+ Trichloromethyl cation ccl3+  
1349 SiCl3 trichlorosilyl radical sicl3  
1350 SiCl3+ trichlorosilyl cation sicl3+  
1351 CBr3 tribromomethyl radical cbr3  
1352 FOOF Perfluoroperoxide foof  
1353 ClO2F Chloryl fluoride clo2f  
1354 F2SO Thionyl Fluoride f2so  
1355 ClOOCl Dichlorine dioxide cloocl  
1356 FSSF Difluorodisulfane fssf  
1357 S2F2 Thio-thionyl fluoride s2f2  
1358 SSCl2 Thiothionyl chloride sscl2  
1359 SeOCl2 selenium oxychloride seocl2  
1360 NF3 Nitrogen trifluoride nf3  
1361 NF3- Nitrogen trifluoride anion nf3-  
1362 NF3+ Nitrogen trifluoride cation nf3+  
1363 PF3 Phosphorus trifluoride pf3  
1364 NCl3 nitrogen trichloride ncl3  
1365 AsF3 Arsenic trifluoride asf3  
1366 PCl3 Phosphorus trichloride pcl3  
1367 SbF3 Antimony Trifluoride sbf3  
1368 AsCl3 Arsenous trichloride ascl3  
1369 SbCl3 Antimony Trichloride sbcl3  
1370 NBr3 Nitrogen Tribromide nbr3  
1371 PBr3 Phosphorus tribromide pbr3  
1372 AsBr3 Arsenic tribromide asbr3  
1373 PI3 Phosphorus triiodide pi3  
1374 ClSSCl Disulfur dichloride s2cl2  
1375 SF3 Sulfur trifluoride sf3  
1376 ClF3 Chlorine trifluoride clf3  
1377 BrF3 Bromine trifluoride brf3  
1378 IF3 iodone trifluoride if3  
1379 HClO3 Chloric Acid hclo3  
1380 CHF3 Methane, trifluoro- chf3  
1381 CHF2Cl difluorochloromethane chf2cl  
1382 SiHF3 trifluorosilane sihf3  
1383 CHFCl2 fluorodichloromethane chfcl2  
1384 CDCl3 trichloromethane-d cdcl3  
1385 CHCl3 Chloroform chcl3  
1386 CHBrF2 Methane, bromodifluoro- chbrf2  
1387 SiHCl3 Trichlorosilane sihcl3  
1388 CHFClBr fluorochlorobromomethane chfclbr  
1389 CHBrCl2 Methane, bromodichloro- chbrcl2  
1390 CHF2I difluoroiodomethane chf2i  
1391 CHBr2F dibromofluoromethane chbr2f  
1392 CHFClI fluorochloroiodomethane chfcli  
1393 CHCl2I dichloroiodomethane chcl2i  
1394 CHClBr2 Methane, dibromochloro- chclbr2  
1395 CHBr3 bromoform chbr3  
1396 CHI3 Iodoform chi3  
1397 NF3H+ protonated nitrogen trifluoride nf3h+  
1398 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1399 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1400 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1401 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1402 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1403 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1404 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1405 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1406 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1407 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1408 C2H2Br2 1,1-dibromoethene c2h2br2  
1409 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1410 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1411 CH2FCHO Fluoroacetaldehyde ch2fcho  
1412 CH3COF Acetyl fluoride ch3cof  
1413 CH2ClCHO chloroacetaldehyde ch2clcho  
1414 CH3COCl Acetyl Chloride ch3cocl  
1415 C2H4F2 1,2-difluoroethane c2h4f2  
1416 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1417 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1418 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1419 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1420 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1421 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1422 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1423 CH2CFCH3 2-fluoropropene 2fpro  
1424 CH2CHCH2F Allyl Fluoride allylf  
1425 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1426 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1427 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1428 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1429 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1430 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1431 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1432 CH2FCH2CH3 1-Fluoropropane prf1  
1433 CH3CHFCH3 2-Fluoropropane prf2  
1434 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1435 CH3CHClCH3 Propane, 2-chloro- prcl2  
1436 CH3CH2CH2Br n-propyl bromide prbr  
1437 CH3CHBrCH3 i-propyl bromide iprbr  
1438 C3H9O+ trimethyl oxonium cation c3h9o+  
1439 B5H9 pentaborane9 b5h9  
1440 C5H4 pentatetraene ptrene  
1441 C5H5 cyclopentadienyl radical c5h5  
1442 C5H5- cylopentadienyl anion c5h5-  
1443 C5H6 1,3-Cyclopentadiene c542927  
1444 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1445 C5H6 3-Penten-1-yne, (E)- c2004695  
1446 C5H6 3-Penten-1-yne, (Z)- c1574409  
1447 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1448 C5H6 Cyclopropylacetylene c6746947  
1449 C5H6 Propellane propellane  
1450 C5H7 1,3-pentadienyl radical pdyl  
1451 C5H7 cyclopentenyl radical cpyl  
1452 C5H8 1,2-Butadiene, 3-methyl- c598254  
1453 C5H8 1,2-Pentadiene c591957  
1454 C5H8 1,3-Butadiene, 2-methyl- c78795  
1455 C5H8 1,3-Pentadiene, (E)- c2004708  
1456 C5H8 1,3-Pentadiene, (Z)- c1574410  
1457 C5H8 1,4-Pentadiene c591935  
1458 C5H8 1-pentyne a1pentyne  
1459 C5H8 2,3-Pentadiene c591968  
1460 C5H8 Bicyclo[1.1.1]pentane bcp  
1461 C5H8 Cyclobutane, methylene- c1120565  
1462 C5H8 Cyclopentene c142290  
1463 C5H8 Ethenylcyclopropane c693867  
1464 CH3CCCH2CH3 2-Pentyne 2pentyne  
1465 C5H10 1-Butene, 2-methyl- c563462  
1466 C5H10 2-Butene, 2-methyl- c513359  
1467 C5H10 2-Pentene, (E)- c646048  
1468 C5H10 2-Pentene, (Z)- c627203  
1469 C5H10 Cyclopentane c287923  
1470 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1471 CH2CHCH2CH2CH3 1-pentene pentene  
1472 C5H11 2-Methylbut-2-yl radical c4348350  
1473 C5H12 Butane, 2-methyl- buta2  
1474 C5H12 Pentane pentane  
1475 C5H12 Propane, 2,2-dimethyl- neopentane  
1476 Si(CH3)4 tetramethylsilane tms  
1477 N2O3 Dinitrogen trioxide n2o3  
1478 C3H2N2 Malononitrile c3h2n2  
1479 CH2N4 1H-Tetrazole 1htz  
1480 C3H3N2 imidazolyl radical im  
1481 C3H3N2- imidizolyl anion im-  
1482 C2H3N3 1H-1,2,4-Triazole c288880  
1483 C4H4N pyrrolide radical c4h4n  
1484 C4H4N- pyrrolide anion c4h4n-  
1485 C3H4N2 1H-Imidazole 1himidaz  
1486 C3H4N2 1H-Pyrazole 1hpyraz  
1487 C3H4N2 2H-Imidazole imid2h  
1488 C3H4N2 4H-Imidazole imid4h  
1489 C4H5N (E)-2-Butenenitrile c627269  
1490 C4H5N (Z)-2-Butenenitrile c1190767  
1491 C4H5N 2H-pyrrole pyrrole2  
1492 C4H5N 3H-pyrrole pyrrole3  
1493 C4H5N Cyclopropanecarbonitrile c5500210  
1494 C4H5N Pyrrole pyrrole  
1495 CH2CHCH2CN Allylcyanide ch2chch2cn  
1496 C4H6N+ pyrrole, alpha-protonated appyr  
1497 C4H6N+ pyrrole, beta-protonated bppyr  
1498 C4H6N+ pyrrole, protonated ppyr  
1499 C3H6N2 3-Aminopropionitrile c151188  
1500 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1501 CH3CH2CH2CN Butanenitrile c109740  
1502 C5H8 Bicyclo[2.1.0]pentane c185944  
1503 C5H8 Spiropentane c157404  
1504 C4H9N Cyclobutylamine cbam  
1505 C4H9N Pyrrolidine pyrrolidine  
1506 C3H10N2 1,2-Diaminopropane diampr12  
1507 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1508 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1509 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1510 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1511 NH(C2H5)2 diethylamine dea  
1512 NC4H12+ tetramethyl ammonium cation nc4h12+  
1513 C3O2 Carbon suboxide c3o2  
1514 C3O2+ Carbon suboxide cation c3o2+  
1515 B2O3 diboron trioxide b2o3  
1516 MgCO3 Magnesium Carbonate mgco3  
1517 BeCO3 Beryllium Carbonate beco3  
1518 CaCO3 Calcium Carbonate caco3  
1519 ONONO Nitrosyl nitrite onono  
1520 PO4--- phosphate po4---  
1521 SO4-- sulfate so4--  
1522 HOONO2 peroxy nitric acid hoono2  
1523 HSO4- bisulfate anion hso4-  
1524 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1525 C3H2O2 Propiolic acid c3h2o2  
1526 CHOCOOH oxo acetic acid oaa  
1527 CHOOCHO diformyl ether choocho  
1528 H2SO4 Sulfuric acid h2so4  
1529 H2SeO4 Selenic acid h2seo4  
1530 C3H3NO Isoxazole isox  
1531 C3H3NO Oxazole oxazole  
1532 C3H3NS Thiazole thiazole  
1533 CH3C(O)OO acetyl peroxy radical ch3coo2  
1534 CH3NO3 Methyl nitrate ch3no3  
1535 H3PO4 Phosphoric Acid h3po4  
1536 C4H4O Furan furan  
1537 C4H4O+ Furan cation furan+  
1538 CH3COCCH 3-butyn-2-one c1423605  
1539 C4H4S Thiophene furans  
1540 C4H4Se selenophene c4h4se  
1541 C3H4O2 β–Propiolactone beta  
1542 C3H4O2 2-Propenoic acid propenoic2  
1543 C3H4O2 Methyl glyoxal megly  
1544 C3H4O2 propanedial propanedial  
1545 C3H4O2 propenalol propenalol  
1546 HOCHCCHOH allenediol aldiol  
1547 C2H4O3 1,2,3-trioxolane c2h4o3  
1548 C2H4O3 trioxolane124 triox  
1549 HOCH2COOH Hydroxyacetic acid hac  
1550 CH2CHCONH2 Acrylamide c79061  
1551 CH3OCH2CN Methoxyacetonitrile c1738369  
1552 CH5N3S Hydrazinecarbothioamide c79196  
1553 H2NCH2COOH Glycine glycine  
1554 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1555 C4H6O cis-2-butenal butenal2c  
1556 C4H6O Cyclobutanone cbutone  
1557 C4H6O Furan, 2,3-dihydro- furan23h  
1558 C4H6O Furan, 2,5-dihydro- furan25h  
1559 CH2CHOCHCH2 Vinyl ether vinylether  
1560 CHOCHCHCH3 2-Butenal butenal2  
1561 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1562 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1563 CH2CHSCHCH2 Divinyl sulfide divis  
1564 C2H6N2O Urea, methyl- c598505  
1565 C3H6O2 1,3-Dioxolane dioxolane  
1566 CH3CH2COOH Propanoic Acid propanoic  
1567 CH3COOCH3 methyl acetate aame  
1568 HCOOC2H5 Ethyl formate faee  
1569 C2H6O2S Dimethyl sulfone c67710  
1570 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1571 C3H7NO dimethylformamide dmf  
1572 C3H7NO Propanamide propanam  
1573 C2H3OC2H5 Ethene, ethoxy- c109922  
1574 C4H8O Cyclobutanol c2919235  
1575 C4H8O Furan, tetrahydro- thf  
1576 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1577 CH3COCH2CH3 2-Butanone buta2one  
1578 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1579 CHOCH2CH2CH3 Butanal butanal  
1580 C4H8S Thiophene, tetrahydro- tht  
1581 C3H8O2 1,3-Propanediol c504632  
1582 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1583 C3H8O2 Methane, dimethoxy- c109875  
1584 C3H8O2 Propylene glycol c57556  
1585 C3H8S2 1,3-Propanedithiol c109808  
1586 C4H10O 1-Butanol butanol1  
1587 C4H10O 1-Propanol, 2-methyl- c78831  
1588 C4H10O 2-Butanol, (.+/-.)- butanol2  
1589 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1590 C4H10O Ethoxy ethane etoet  
1591 C4H10O Methyl propyl ether meopr  
1592 C4H10O Propane, 2-methoxy- c598538  
1593 C4H10O+ 1-Butanol cation butanol1+  
1594 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1595 C2H5SC2H5 Diethyl sulfide etset  
1596 C4H9SH 1-Butanethiol bush  
1597 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1598 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1599 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1600 FNO3 Fluorine nitrate fno3  
1601 ClONO2 Chlorine nitrate clono2  
1602 BrONO2 Bromine nitrate brono2  
1603 ClO4- perchlorate anion clo4-  
1604 BF4- tetrafluoroboron anion bf4-  
1605 ClFO3 Perchloryl fluoride clfo3  
1606 SO2F2 Sulfuryl fluoride so2f2  
1607 SO2Cl2 Sulfuryl chloride so2cl2  
1608 F3NO Nitrogen trifluoride oxide f3no  
1609 F3PO Phosphoryl fluoride pf3o  
1610 Cl3PO Phosphoryl chloride pcl3o  
1611 CF4 Carbon tetrafluoride cf4  
1612 CF3Cl Methane, chlorotrifluoro- cf3cl  
1613 SiF4 Silicon tetrafluoride sif4  
1614 CF2Cl2 difluorodichloromethane cf2cl2  
1615 TiF4 Titanium tetrafluoride tif4  
1616 CFCl3 Trichloromonofluoromethane cfcl3  
1617 CF3Br Bromotrifluoromethane cf3br  
1618 GeF4 Germanium tetrafluoride gef4  
1619 CCl4 Carbon tetrachloride ccl4  
1620 CCl4+ Carbon tetrachloride cation ccl4+  
1621 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1622 SiCl4 Silane, tetrachloro- sicl4  
1623 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1624 CF3I trifluoroiodomethane cf3i  
1625 CBrCl3 Methane, bromotrichloro- cbrcl3  
1626 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1627 GeCl4 Germanium Tetrachloride gecl4  
1628 CBr2ClF dibromochlorofluoromethane cbr2clf  
1629 CBr2Cl2 dibromodichloromethane cbr2cl2  
1630 CCl3I trichloroiodomethane ccl3i  
1631 CFBr3 fluorotribromomethane cfbr3  
1632 CFClBrI fluorochlorobromoiodomethane cfclbri  
1633 CBr3Cl tribromochloromethane cbr3cl  
1634 CF2I2 difluorodiiodomethane cf2i2  
1635 CBr4 Carbon tetrabromide cbr4  
1636 CCl2I2 dichlorodiiodomethane ccl2i2  
1637 SiBr4 Silicon tetrabromide sibr4  
1638 CBr3I tribromoiododmethane cbr3i  
1639 GeBr4 Germanium tetrabromide gebr4  
1640 CI4 tetraiodomethane ci4  
1641 SiI4 silicon tetraiodide sii4  
1642 ClOF3 Chlorine trifluoride oxide clof3  
1643 SeF4 Selenium tetrafluoride sef4  
1644 SCl4 Sulfur tetrachloride scl4  
1645 C2HF3 Trifluoroethylene c2hf3  
1646 C2HF3+ Trifluoroethylene cation c2hf3+  
1647 CHClCCl2 Trichloroethylene chclccl2  
1648 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1649 HClO4 perchloric acid hclo4  
1650 HSO3F Fluorosulfonic acid hso3f  
1651 CF3OH trifluoromethanol cf3oh  
1652 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1653 CHClCCHCl 1,3-dichloroallene chclcchcl  
1654 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1655 CHCl2CHO dichloroacetaldehyde chcl2cho  
1656 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1657 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1658 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1659 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1660 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1661 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1662 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1663 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1664 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1665 NH3BCl3 Amminetrichloroboron nh3bcl3  
1666 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1667 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1668 C3H5ClO Oxirane, (chloromethyl)- c106898  
1669 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1670 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1671 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1672 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1673 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1674 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1675 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1676 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1677 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1678 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1679 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1680 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1681 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1682 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1683 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1684 C4H9F 1-fluorobutane butaf1  
1685 CH3CHFCH2CH3 2-fluorobutane butaf2  
1686 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1687 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1688 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1689 XeF4 Xenon tetrafluoride xef4  
1690 C2H2N2O Furazan furazan  
1691 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1692 NH3BF3 Amminetrifluoroboron nh3bf3  
1693 C6H2 hexatriyne c6h2  
1694 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1695 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1696 C6H4 Benzyne benzyne  
1697 C6H5 phenyl phenyl  
1698 C6H5- phenyl anion phenyl-  
1699 C6H6 Prismane prismane  
1700 C6H6 1,2,4,5-Hexatetraene ht1245  
1701 C6H6 2,4-Hexadiyne hexadiyne  
1702 C6H6 3,4-Dimethylenecyclobutene cb34m  
1703 C6H6 Benzene benzene  
1704 C6H6 Benzvalene bv  
1705 C6H6 Dewar Benzene dewar  
1706 C6H6 Hexa-1,5-diene-3-yne hdy153  
1707 C6H6 Trimethylenecycopropane tmcp  
1708 C6H6+ Benzene cation c6h6+  
1709 C6H7+ benzene, protonated c6h7+  
1710 C6H8 (E)-hexa-1,3,5-triene c821078  
1711 C6H8 (E)-hexa-2,3,4-triene c59660650  
1712 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1713 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1714 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1715 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1716 C6H8 3-Methylenecyclopentene c930267  
1717 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1718 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1719 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1720 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1721 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1722 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1723 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1724 C6H10 1,5-Hexadiene c592427  
1725 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1726 C6H10 1-Hexyne hexyne1  
1727 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1728 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1729 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1730 C6H10 2-Hexyne c764352  
1731 C6H10 3-Hexyne hexyne3  
1732 C6H10 cyclohexene cyclohexene  
1733 C6H10 Cyclopentene, 1-methyl- c693890  
1734 C6H10 Cyclopentene, 3-methyl- c1120623  
1735 C6H10 Cyclopentene, 4-methyl- c1759815  
1736 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1737 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1738 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1739 C6H12 (E)-2-Hexene e2hexene  
1740 C6H12 (E)-3-methylpent-2-ene c616126  
1741 C6H12 (E)-hex-3-ene e3hexene  
1742 C6H12 (Z)-3-methylpent-2-ene c922623  
1743 C6H12 (Z)-hex-2-ene z2hexene  
1744 C6H12 (Z)-hex-3-ene z3hexene  
1745 C6H12 2,3-dimethylbut-1-ene c563780  
1746 C6H12 2,3-dimethyl-but-2-ene tmeet  
1747 C6H12 3-methylenepentane c760214  
1748 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1749 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1750 C6H12 Cyclohexane cyclohexane  
1751 C6H12 Cyclopentane, methyl- c96377  
1752 C6H12 Ethylcyclobutane c4806615  
1753 C6H12 hex-1-ene hexene1  
1754 C6H14 Butane, 2,2-dimethyl- buta22  
1755 C6H14 Butane, 2,3-dimethyl- buta23  
1756 C6H14 Hexane hexane  
1757 C6H14 Pentane, 2-methyl- penta2  
1758 C6H14 Pentane, 3-methyl- penta3  
1759 C4N2 2-Butynedinitrile c4n2  
1760 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1761 C4H2N2 Fumaronitrile c4h2n2  
1762 C2H2N4 sym-tetrazine ttz  
1763 C3H3N3 1,3,5-Triazine triazine135  
1764 CH3N5 5-Aminotetrazole c4418615  
1765 C4H4N2 1,3-Diazine diazine13  
1766 C4H4N2 Pyrazine pyrazine  
1767 C4H4N2 Pyridazine pyridazine  
1768 C4H4N2 Succinonitrile c110612  
1769 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1770 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1771 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1772 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1773 C5H5N E-2,4-pentadienenitrile bdcn  
1774 C5H5N Pyridine pyridine  
1775 B3N3H6 borazine borazine  
1776 C6H6 Fulvene fulvene  
1777 C5H6N+ Pyridinium c5h6n  
1778 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1779 C5H7N (E)-2-Pentenenitrile c26294984  
1780 C5H7N (E)-3-Pentenenitrile c16529661  
1781 C5H7N (Z)-2-Pentenenitrile c25899507  
1782 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1783 C5H7N Cyclobutanecarbonitrile c4426113  
1784 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1785 C5H9N Butanenitrile, 2-methyl- c18936179  
1786 C5H9N Pentanenitrile c110598  
1787 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1788 C6H10 Bicyclo[3.1.0]hexane c285585  
1789 C5H11N Cyclopentanamine cypentam  
1790 C5H11N Piperidine piper  
1791 C4H12N2 1,2-Butanediamine c4426486  
1792 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1793 Li2CO3 Lithium Carbonate li2co3  
1794 Na2CO3 Sodium Carbonate na2co3  
1795 C2O4-- oxalate anion c2o4  
1796 MgSO4 Magnesium Sulfate mgso4  
1797 N2O4 Dinitrogen tetroxide n2o4  
1798 C3H2O3 vinylene carbonate vica  
1799 C2H2O4 Oxalic Acid oxalic  
1800 C2H3NO3 Oxamic acid oxamic  
1801 C4H4O2 2(5H)-Furanone furanone  
1802 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1803 C2H4N2O2 Oxalamide oxalamide  
1804 C2H4N2S2 Ethanedithioamide c79403  
1805 C2H4CO3 Ethylene carbonate etco3  
1806 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1807 C3H4S3 1,3-Dithiolane-2-thione c822388  
1808 C2H4O4 Formic acid dimer fadimer  
1809 C4H5NO 3-Methylisoxazole isox3m  
1810 C4H5NO Isoxazole, 5-methyl- c5765446  
1811 C4H5NS 4-Methylthiazole c693958  
1812 C2H5NO3 Nitric acid, ethyl ester c625581  
1813 C5H6O 2H-Pyran pyran2  
1814 C5H6O 2-methylfuran furan2m  
1815 C5H6O 3-Methylfuran furan3m  
1816 C5H6O Pentadienal pdal  
1817 C5H6S Thiophene, 2-methyl- c554143  
1818 C5H6S Thiophene, 3-methyl- c616444  
1819 C4H6O2 γ–Butyrolactone c96480  
1820 C4H6O2 2,3-Butanedione c431038  
1821 C4H6O2 2-Propenoic acid, methyl ester c96333  
1822 C4H6O2 Crotonic Acid crot  
1823 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1824 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1825 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1826 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1827 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1828 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1829 C4H6OS Vinyl sulfoxide c1115157  
1830 CH6N4S Carbonothioic dihydrazide thiacarb  
1831 C2H6N2O2 (E)-Azodioxymethane c37765154  
1832 C2H6N2O2 Dimethylnitroamine c4164287  
1833 C3H6O3 1,3,5-Trioxane trioxane  
1834 C3H6S3 1,3,5-Trithiane c3h6s3  
1835 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1836 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1837 C4H7NO 2-Pyrrolidinone c616455  
1838 C4H7NO Ethoxyacetonitrile etoaccn  
1839 C4H7NO Methacrylamide c79390  
1840 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1841 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1842 C3H7ONO Propyl nitrite prono  
1843 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1844 CH3CH(NH2)COOH Alanine alanine  
1845 CH3NHCH2COOH Sarcosine sarcosine  
1846 NH2CH2CH2COOH β–alanine betaalanine  
1847 NH2COOC2H5 Urethane urethane  
1848 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1849 C5H8O Cyclopentanone c120923  
1850 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1851 C5H8O Methyl cyclopropyl ketone c765435  
1852 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1853 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1854 NH2CONHC2H5 Urea, ethyl- c625525  
1855 C4H8O2 1,3-Dioxane dioxan13  
1856 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1857 C4H8O2 1,4-Dioxane dioxan14  
1858 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1859 C4H8O2 Ethyl acetate c141786  
1860 C4H8OS s-Ethyl thioacetate c625605  
1861 C3H8O3 1,2,3-Propanetriol glycerin  
1862 C3H8O2S (Methylsulfonyl)ethane c594434  
1863 C4H9NO Butanamide c541355  
1864 C4H9NO Propanamide, 2-methyl- c563837  
1865 C5H10O 2-Butanone, 3-methyl- c563804  
1866 C5H10O 2H-Pyran, tetrahydro- c142687  
1867 C5H10O 2-methylbutyraldehyde 2meba  
1868 C5H10O 2-Pentanone mpk  
1869 C5H10O 3-Pentanone dek  
1870 C5H10O Cyclopentanol c96413  
1871 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1872 C5H10O Pentanal pal  
1873 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1874 C5H10S 3-Ethylthio-1-propene c5296628  
1875 C5H10S Cyclopentanethiol c1679078  
1876 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1877 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1878 C4H10O2 1,1-Dimethoxyethane c534156  
1879 C4H10O2 1,3-Butanediol budiol13  
1880 C4H10O2 1,4-Butanediol budiol14  
1881 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1882 C4H10OS Diethyl sulfoxide c70291  
1883 C4H10S2 1,4-Butanedithiol budisl14  
1884 C4H11NO Diethylhydroxylamine c3710847  
1885 C5H12O 1-Butanol, 2-methyl- c137326  
1886 C5H12O 1-Butanol, 3-methyl- c123513  
1887 C5H12O 1-Pentanol pentanol1  
1888 C5H12O 2-Butanol, 3-methyl- c598754  
1889 C5H12O 2-Pentanol peol2  
1890 C5H12O 3-Pentanol pentan3ol  
1891 C5H12O Butane, 1-methoxy- meobu  
1892 C5H12O Propane, 1-ethoxy- proet  
1893 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1894 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1895 C5H12S 1-Butanethiol, 3-methyl- c541311  
1896 C5H12S 1-Pentanethiol c110667  
1897 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1898 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1899 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1900 C5H12S Butane, 1-(methylthio)- c628295  
1901 C5H12S Ethyl propyl sulfide c4110503  
1902 C5H12S Propane, 2-(ethylthio)- c5145993  
1903 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1904 C4F2 difluorobutadiyne c4f2  
1905 ClCOClCO Oxalyl chloride oxcl  
1906 CF3CN Acetonitrile, trifluoro- cf3cn  
1907 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1908 B2F4 Diboron tetrafluoride b2f4  
1909 B2Cl4 Diboron tetrachloride b2cl4  
1910 C2F4 Tetrafluoroethylene c2f4  
1911 C2F4+ Tetrafluoroethylene cation c2f4+  
1912 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1913 CF2CCl2 difluorodichloroethylene cf2ccl2  
1914 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1915 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1916 C2FCl3 fluorotrichloroethene c2fcl3  
1917 C2Cl4 Tetrachloroethylene c2cl4  
1918 C2Br4 tetrabromoethene c2br4  
1919 CF3OF Trifluoromethylhypofluorite cf3of  
1920 SiF5- silicon pentafluoride anion sif5-  
1921 SOF4 Sulfur tetrafluoride oxide sof4  
1922 PF5 Phosphorus pentafluoride pf5  
1923 AsF5 Arsenic pentafluoride asf5  
1924 PCl5 Phosphorus pentachloride pcl5  
1925 SF5 Sulfur pentafluoride sf5  
1926 SF5+ pentafluoro sulfur cation sf5+  
1927 SbCl5 Antimony pentachloride sbcl5  
1928 BrF5 bromine pentafluoride brf5  
1929 ClF5 chlorinepentafluoride clf5  
1930 IF5 pentafluoroiodine if5  
1931 CF3CHO trifluoroacetaldehyde cf3cho  
1932 CCl3CHO trichloroacetaldehyde ccl3cho  
1933 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1934 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1935 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1936 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1937 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1938 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1939 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1940 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1941 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1942 CF3COOH trifluoroacetic acid cf3cooh  
1943 C4H3ClO Furan, 2-chloro fur2cl  
1944 C4H3ClO Furan,3-chloro fur3cl  
1945 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1946 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1947 C4H8Cl2 1,4-Dichlorobutane c110565  
1948 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1949 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1950 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1951 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1952 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1953 C5H11Cl Pentane, 1-chloro- pencl1  
1954 C4H8O2 Butanoic acid bua  
1955 C6H5CH2 benzyl radical benzyl  
1956 C7H7 cycloheptatrienyl radical c7h7  
1957 C7H7+ cycloheptatrienyl cation c7h7+  
1958 C6H5CH3 toluene toluene  
1959 C7H8 cycloheptatriene cht  
1960 C7H8 Norbornadiene norbor  
1961 C7H8 Quadricyclane qucy  
1962 C7H12 Norbornane nor  
1963 C7H14 cycloheptane c7h14  
1964 C7H16 2-methylhexane 2mhex  
1965 C7H16 3-methylhexane hex3m  
1966 C7H16 heptane heptane  
1967 CH(CN)3 tricyanomethane mecn3  
1968 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1969 C6H7N 2-Methylpyridine mp  
1970 C6H5NH2 aniline aniline  
1971 C6H13N 2-Methylpiperidine pip2m  
1972 C6H13N cyclohexanamine cham  
1973 C6H15N triethylamine tea  
1974 N2O5 Dinitrogen pentoxide n2o5  
1975 C4H2O3 Maleic Anhydride malan  
1976 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1977 C5H4O2 furfural furfural  
1978 C6H5O phenoxy radical phenoxy  
1979 C5H5NO 2(1H)-Pyridinone c72762006  
1980 C5H5NO 2(3H)-Pyridinone c9000048  
1981 C5H5NO 2(5H)-Pyridinone c9000037  
1982 C5H5NO 2-Pyridinol c109104  
1983 C5H5NO 3(2H)-Pyridinone c9000004  
1984 C5H5NO 3(4H)-Pyridinone c9000026  
1985 C5H5NO 3(6H)-Pyridinone c9000015  
1986 C5H5NO 3-Pyridinol c109002  
1987 C5H5NO 4(1H)-Pryidinone c9000060  
1988 C5H5NO 4(3H)-Pryidinone c9000059  
1989 C5H5NO 4-Pyridinol c626642  
1990 C6H5OH phenol phenol  
1991 C6H6O 2,4-Cyclohexadienone c24599573  
1992 C6H6O 2,5-Cyclohexadienone c5664335  
1993 C6H5SH Benzenethiol phsh  
1994 HO2CCHNH2CH2OH Serine serine  
1995 C5H8O2 Acetylacetone acac  
1996 C4H8O2S Sulfolane sulfolane  
1997 C7H10 Norbornene norbornene  
1998 CH(C2H3)3 trivinyl methane tvm  
1999 C6H10O cyclohexanone chexo  
2000 C6H12O hexanal c6h12o  
2001 C6H12O Oxepane oxepane  
2002 C3H7OC3H7 di-n-propyl ether propr  
2003 F2CCCF2 tetrafluoroallene pfa  
2004 CF3COO- trifluoro acetate anion cf3coo-  
2005 CF3COF trifluoroacetyl fluoride cf3cof  
2006 CF3COCl trifluoroacetyl chloride cf3cocl  
2007 PF6 Hexafluorophosphate neutral pf6  
2008 PF6- Hexafluorophosphate ion pf6-  
2009 SF6 Sulfur Hexafluoride sf6  
2010 SeF6 Selenium hexafluoride sef6  
2011 SF5Cl sulfur chloropentafluoride sf5cl  
2012 CF3CHF2 pentafluoroethane cf3chf2  
2013 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2014 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2015 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2016 CCl3CHCl2 pentachloroethane ccl3chcl2  
2017 C6H5F Fluorobenzene bzf  
2018 C6H5Cl chlorobenzene bzcl  
2019 C6H5Br bromobenzene bzbr  
2020 C8H6 Calicene calicene  
2021 C6H5CCH phenylacetylene phac  
2022 C8H6 benzocyclobutadiene bcbd  
2023 C8H6 Pentalene pentalene  
2024 C6H5CHCH2 Styrene styrene  
2025 C8H8 cubane cubane  
2026 C8H8 cyclooctatetraene cot  
2027 C6H5CH2CH3 Ethylbenzene etbz  
2028 CH3C6H4CH3 meta-xylene mxylene  
2029 CH3C6H4CH3 paraxylene pxylene  
2030 C8H14 Bicyclo[2.2.2]octane bico222  
2031 C8H16 cyclooctane cyclooct  
2032 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2033 C8H18 Octane c8h18  
2034 C6H5CN phenyl cyanide phcn  
2035 C6H12N2 Triethylenediamine ted  
2036 C4O4-- squarate dianion c4o4--  
2037 S4N4 Tetrasulfur tetranitride s4n4  
2038 S8 Octasulfur s8  
2039 C6H4O2 parabenzoquinone pbq  
2040 C4H4N2O2 Uracil uracil  
2041 C6H5CHO benzaldehyde benzal  
2042 C6H5OCH3 Anisole anisole  
2043 C5H9NO2 Proline proline  
2044 C6H12O2 Methyl pivalate c598981  
2045 C6H12O2 Hexanoic acid hexa  
2046 C4F4 tetrafluorcyclobutadiene c4f4  
2047 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2048 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2049 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2050 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2051 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2052 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2053 C2F6 hexafluoroethane c2f6  
2054 IF7 Iodine heptafluoride if7  
2055 C6H4F2 metadifluorobenzene mdfb  
2056 C6H4F2 orthodifluorobenzene odfb  
2057 C6H4F2 1,4-difluorobenzene pdfb  
2058 C6H4Cl2 1,2-dichlorobenzene dcb12  
2059 C6H4Cl2 1,3-dichlorobenzene dcb13  
2060 C6H4Cl2 1,4-dichlorobenzene dcb14  
2061 C6H5NO nitrosobenzene bzno  
2062 C9H8 Indene indene  
2063 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2064 C9H12 n-propyl benzene prbz  
2065 C9H20 Nonane nonane  
2066 C(CN)4 tetracyanomethane c5n4  
2067 C5H4N4 purine purine  
2068 C8H7N Indole indole  
2069 C3H3N3O3 cyanuric acid cyanuric  
2070 C6H5NO2 Nitrobenzene c6h5no2  
2071 CH3COC6H5 acetophenone acph  
2072 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2073 C3F6 hexafluoropropene c3f6  
2074 C6H3F3 Benzene trifluoride 123 bzf3a  
2075 C8H18O 1-Octanol octanol  
2076 C10H8 Azulene azu  
2077 C10H8 naphthalene naph  
2078 C10H10 bullvalene bullv  
2079 C10H16 adamantane adamantane  
2080 C6N4 Tetracyanoethylene tcne  
2081 C6N4- tetracyanoethylene anion tcne-  
2082 C10H22 Decane decane  
2083 C4F6 perfluorobutadiene c4f6  
2084 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2085 C3F8 perfluoropropane c3f8  
2086 Fe(CO)5 Iron pentacarbonyl ipc  
2087 Fe(C5H5)2 ferrocene fecp2  
2088 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2089 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2090 C12H8 Acenaphthylene acenaph  
2091 C12H8 biphenylene biph  
2092 C12H10 biphenyl biphenyl  
2093 C12H10 Heptalene heptalene  
2094 C6H12O6 Inositol inositol  
2095 C6F6 hexafluorobenzene c6f6  
2096 S2F10 disulphur decafluoride s2f10  
2097 C13H10 Fluorene fluorene  
2098 C14H10 Anthracene anth  
2099 C14H10 Phenanthrene phenanthrene  
2100 C14H14 Bibenzyl bibenzyl  
2101 C12H10N2 azobenzene azobenzene  
2102 C6H5COC6H5 benzophenone benzophenone  
2103 C16H10 Pyrene pyrene  
2104 C18H12 Tetracene tetracene  
2105 C19H16 Triphenylmethane tpm  
2106 C24H12 Coronene coronene  
2107 C60 Buckminsterfullerene c60