National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

NIST policy on privacy, security, and accessibility.
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

return to home page

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

List of which calculations are completed at B2PLYP=FULLultrafine /aug-cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 H2S Hydrogen sulfide 1A1C2v
2 H2S+ Hydrogen sulfide cation 2B1C2v
3 H3S+ Sulfonium cation 1A1C3v
4 HCl Hydrogen chloride 1ΣC∞v
5 BAl Boron Aluminum 3ΣC∞v
6 Si2H6 disilane 1EuD3d
7 PN Phosphorus mononitride 1ΣC∞v
8 SiO Silicon monoxide 1ΣC∞v
9 SiS silicon monosulfide 1ΣC∞v
10 GeO Germanium monoxide 1ΣC∞v
11 NS Mononitrogen monosulfide 2ΠC∞v
12 PO Phosphorus monoxide 2ΠC∞v
13 SO Sulfur monoxide 3ΣC∞v
14 SO Sulfur monoxide 1ΣC∞v
15 HBS hydrogen boron sulfide 1ΣC∞v
16 H2CS Thioformaldehyde 1A1C2v
17 H2S2 Disulfane 1AC2
18 H2S2+ hydrogen disulfide cation 2BgC2h
19 CH3SH Methanethiol 1A'Cs
20 CH3SH2+ protonated methylsulfide 1A'Cs
21 LiCl lithium chloride 1ΣC∞v
22 AlF Aluminum monofluoride 1Σ+C∞v
23 GeCl+ Germanium monochloride cation   
24 NCl nitrogen monochloride 3ΣC∞v
25 SF Monosulfur monofluoride 2ΠC∞v
26 SCl sulfur monochloride 2ΠC∞v
27 SCl+ sulfur monochloride cation 3ΣgC∞v
28 Cl2+ chlorine diatomic cation 2ΠgD∞h
29 HOCl hypochlorous acid 1A'Cs
30 CH3Cl Methyl chloride 1A1C3v
31 SiH3F monofluorosilane 1A1C3v
32 SiH3Cl chlorosilane 1A1C1
33 Si3H8 trisilane   
34 Na2S Sodium sulfide   
35 Na2S Sodium sulfide   
36 OCS Carbonyl sulfide 1ΣC∞v
37 SO2 Sulfur dioxide 1A1C2v
38 CH2CS Thioketene   
39 CH3CH2SH ethanethiol 1A'Cs
40 CH3CH2SH ethanethiol 1AC1
41 CH3SCH3 Dimethyl sulfide 1A1C2v
42 ClNO Nitrosyl chloride 1A'Cs
43 OPCl Phosphorus oxychloride   
44 SiF2 Silicon difluoride 1A1C2v
45 OClO Chlorine dioxide 2B1D∞h
46 ClSO Sulfur chloride oxide 2A"Cs
47 FClO chlorosyl fluoride 1A'Cs
48 ClOF Chlorine hypofluorite 1A'Cs
49 SF2 sulfur difluoride 1A1C2v
50 SiH2F2 difluorosilane   
51 CH2Cl2 Methylene chloride 1A1C2v
52 SiH2Cl2 dichlorosilane 1A1C2v
53 C2H3Cl Ethene, chloro- 1A'Cs
54 CH3OCl methyl hypochlorite 1A'Cs
55 CH3CH2Cl Ethyl chloride 1A'Cs
56 S2N2 Disulfur dinitride 1AGD2h
57 SO3 Sulfur trioxide 1A1'D3h
58 C3H6S Thietane 1A'Cs
59 ClO2F Chloryl fluoride 1A'Cs
60 PF3 Phosphorus trifluoride 1A1C3v
61 ClF3 Chlorine trifluoride 1A1C2v
62 SiHF3 trifluorosilane   
63 H2SO4 Sulfuric acid 1AC1
64 SO2F2 Sulfuryl fluoride 1A1C2v
65 SF4 Sulfur tetrafluoride 1A1C2v
66 SiF5- silicon pentafluoride anion   

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 h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si Silicon atom si  
110 Si- Silicon atom anion si-  
111 Si+ Silicon atom cation si+  
112 Ti Titanium atom ti  
113 Ti- Titanium atom anion ti-  
114 Ti+ Titanium atom cation ti+  
115 Ge Germanium atom ge  
116 Ge- Germanium anion ge-  
117 Ge+ Germanium cation ge+  
118 Sn Tin atom sn  
119 Sn+ Tin cation sn+  
120 CH Methylidyne ch  
121 CH- methylidyne anion ch-  
122 CH+ Methylidyne cation ch+  
123 SiH Silylidyne sih  
124 SiH- silicon monohydride anion sih-  
125 SiH+ silicon monohydride cation sih+  
126 GeH germylidene geh  
127 GeH+ Germaniun monohyrdide cation geh+  
128 CH2 Methylene ch2  
129 CH2- methylene anion ch2-  
130 CH2+ methylene cation ch2+  
131 SiH2 silicon dihydride sih2  
132 SiH2- silicon dihydride anion sih2-  
133 SiH2+ silicon dihydride cation sih2+  
134 GeH2 germylene geh2  
135 GeH2- germylene anion geh2-  
136 CH3 Methyl radical ch3  
137 CH3- methyl anion ch3-  
138 CH3+ methyl cation ch3+  
139 SiH3 Silyl radical sih3  
140 SiH3- Silyl anion sih3-  
141 SiH3+ Silyl cation sih3+  
142 GeH3 Germyl radical geh3  
143 GeH3+ germyl cation geh3+  
144 CD4 methane-d4 cd4  
145 CH2D2 methane-d2 ch2d2  
146 CH3D methane-d ch3d  
147 CH4 Methane ch4  
148 CH4- Methane anion ch4-  
149 CH4+ Methane cation ch4+  
150 CHD3 methane-d3 chd3  
151 SiH2D2 silane-d2 sih2d2  
152 SiH4 Silane sih4  
153 SiH4+ Silane cation sih4+  
154 GeH4 Germane geh4  
155 SnH4 Stannane snh4  
156 SiH5+ Silane, protonated sih5+  
157 N Nitrogen atom n  
158 N- Nitrogen atom anion n-  
159 N+ Nitrogen atom cation n+  
160 P Phosphorus atom p  
161 P- Phosphorus atom anion p-  
162 P+ Phosphorus atom cation p+  
163 V Vanadium atom v  
164 V+ Vanadium atom cation v+  
165 As Arsenic atomic as  
166 As- Arsenic anion as-  
167 As+ Arsenic cation as+  
168 Sb Antimony atom sb  
169 NH Imidogen nh  
170 NH- Imidogen anion nh-  
171 NH+ imidogen cation nh+  
172 PH phosphorus monohydride ph  
173 PH- phosphorus monohydride anion ph-  
174 PH+ phosphorus monohydride cation ph+  
175 AsH Arsenic monohydride ash  
176 AsH+ Arsenic monohydride cation ash+  
177 SbH Antimony monohydride sbh  
178 ND2 Amidogen-d2 nd2  
179 NH2 Amino radical nh2  
180 NH2- amino anion nh2-  
181 NH2+ Amino cation nh2+  
182 PH2 Phosphino radical ph2  
183 PH2- Phosphino anion ph2-  
184 PH2+ Phosphino cation ph2+  
185 AsH2 Arsenic dihydride ash2  
186 AsH2+ Arsenic dihydride cation ash2+  
187 ND3 Ammonia-d3 nd3  
188 NH3 Ammonia nh3  
189 NH3- Ammonia anion nh3-  
190 NH3+ ammonia cation nh3+  
191 PH3 Phosphine ph3  
192 PH3+ Phosphine cation ph3+  
193 AsH3 Arsine ash3  
194 AsH3+ Arsine cation ash3+  
195 SbH3 Stibine sbh3  
196 AsH4+ Arsonium ash4+  
197 NH4 Ammonium radical nh4  
198 NH4+ ammonium cation nh4+  
199 PH4 Phosphoranyl radical ph4  
200 PH4+ phosphonium cation ph4+  
201 O Oxygen atom o  
202 O- Oxygen atom anion o-  
203 O+ Oxygen atom cation o+  
204 S Sulfur atom s  
205 S- Sulfur atom anion s-  
206 S+ Sulfur atom cation s+  
207 Cr Chromium atom cr  
208 Se Selenium atom se  
209 Se- Selenium atom anion se-  
210 Se+ Selenium atom cation se+  
211 Te Tellurium atom te  
212 Te+ Tellurium atom cation te+  
213 DO Hydroxyl-d od  
214 OH Hydroxyl radical oh  
215 OH- hydroxide anion oh-  
216 OH+ hydoxyl cation oh+  
217 DS Mercapto-d ds  
218 HS Mercapto radical hs  
219 HS- mercapto anion sh-  
220 HS+ sulfur monohydride cation sh+  
221 CrH Chromium hydride crh  
222 CrH+ Chromium hydride cation crh+  
223 HSe Selenium monohydride hse  
224 HSe- selenium monohydride anion hse-  
225 HSe+ selenium monohydride cation hse+  
226 TeH Telluryl radical teh  
227 D2O Deuterium oxide d2o  
228 H2O Water h2o  
229 H2O- water anion h2o-  
230 H2O+ water cation h2o+  
231 HDO Water-d1 hdo  
232 D2S Hydrogen sulfide-d2 d2s  
233 H2S- Hydrogen sulfide anion h2s-  
234 H2Se Hydrogen selenide h2se  
235 H2Se+ Hydrogen selenide cation h2se+  
236 H2Te Hydrogen Telluride h2te  
237 H3O+ hydronium cation h3o+  
238 H3Se+ Hydrogen Selenide, protonated h3se+  
239 F Fluorine atom f  
240 F- Fluorine atom anion f-  
241 F+ Fluorine atom cation f+  
242 Cl Chlorine atom cl  
243 Cl- Chlorine atom anion cl-  
244 Cl+ Chlorine atom cation cl+  
245 Mn Manganese atom mn  
246 Br Bromine atom br  
247 Br- Bromine atom anion br-  
248 Br+ Bromine atom cation br+  
249 I Iodine atom iodine  
250 I- Iodine atom anion iodine-  
251 I+ Iodine atom cation iodine+  
252 DF Hydrofluoric acid-d df  
253 HF Hydrogen fluoride hf  
254 HF- hydrogen fluoride anion hf-  
255 HF+ hydrogen fluoride cation hf+  
256 DCl Hydrochloric acid-d dcl  
257 HCl- hydrogen chloride anion hcl-  
258 HCl+ hydrogen chloride cation hcl+  
259 HBr hydrogen bromide hbr  
260 HBr- hydrogen bromide anion hbr-  
261 HBr+ hydrogen bromide cation hbr+  
262 HI Hydrogen iodide hi  
263 HI+ Hydrogen iodide cation hi+  
264 H2F+ dihydrogen fluoride cation h2f+  
265 H2Cl+ dihydrogen monochloride cation h2cl+  
266 H2Br+ protonated hydrogen bromide h2br+  
267 H2I+ Iodonium h2i+  
268 Ne Neon atom ne  
269 Ne- Neon atom anion ne-  
270 Ne+ Neon atom cation ne+  
271 Ar Argon atom ar  
272 Ar- Argon atom anion ar-  
273 Ar+ Argon atom cation ar+  
274 Fe Iron atom fe  
275 Kr Krypton atom kr  
276 Kr+ Krypton cation kr+  
277 Xe Xenon atom xe  
278 HeLi+ Helium Lithium cation heli+  
279 NeH neon hydrogen neh  
280 NeH+ neon hydrogen cation neh+  
281 ArH+ Argon hydride cation arh+  
282 KrH+ Protonated Krypton krh+  
283 XeH+ Xenon, protonated xeh+  
284 H2Ar H2 Ar dimer h2ar  
285 Co Cobalt atom cobalt  
286 Ni Nickel atom ni  
287 Li2 Lithium diatomic li2  
288 Li2- lithium diatomic anion li2-  
289 Li2+ lithium diatomic cation li2+  
290 NaLi lithium sodium lina  
291 NaLi- lithium sodium anion lina-  
292 NaLi+ lithium sodium cation lina+  
293 LiK Lithium Potassium lik  
294 Na2 Sodium diatomic na2  
295 Na2- sodium diatomic anion na2-  
296 Na2+ sodium diatomic cation na2+  
297 NaK Sodium Potassium nak  
298 NaK+ Sodium Potassium diatomic cation nak+  
299 K2 Potassium diatomic k2  
300 Cu2 Copper diatomic cu2  
301 LiBe Lithium Beryllium libe  
302 LiMg Lithium magnesium limg  
303 NaBe Sodium Beryllium nabe  
304 NaMg Sodium Magnesium namg  
305 Be2 Beryllium diatomic be2  
306 Be2- Beryllium diatomic anion be2-  
307 Be2+ Beryllium diatomic cation be2+  
308 BeMg Beryllium Magnesium bemg  
309 Mg2 Magnesium diatomic mg2  
310 Mg2- magnesium diatomic anion mg2-  
311 Mg2+ magnesium diatomic cation mg2+  
312 Ca2 Calcium diatomic ca2  
313 LiB Lithium boride lib  
314 LiAl Lithium Aluminum lial  
315 NaAl Sodium aluminum naal  
316 BeB Beryllium monoboride beb  
317 B2 Boron diatomic b2  
318 B2- Boron diatomic anion b2-  
319 B2+ Boron diatomic cation b2+  
320 Al2 Aluminum diatomic al2  
321 Al2- aluminum diatomic anion al2-  
322 Al2+ aluminum diatomic cation al2+  
323 BGa Boron Gallium bga  
324 AlGa Aluminum Gallium alga  
325 Ga2 Gallium diatomic ga2  
326 HBBH Diborane(2) hbbh  
327 LiBH4 Lithium borohydride libh4  
328 B2H4 Diborane(4) D2d b2h4  
329 HBHHBH Diborane(4) C2V hbhhbh  
330 B2H6 Diborane b2h6  
331 B2H6+ Diborane cation b2h6  
332 Al2H6 dialane al2h6  
333 Ga2H6 digallane ga2h6  
334 LiC Lithium Carbide lic  
335 BeC Beryllium Carbide bec  
336 CaC Calcium monocarbide cac  
337 BC boron monocarbide bc  
338 BC- boron monocarbide anion bc-  
339 BC+ boron monocarbide cation bc+  
340 AlC Aluminum carbide alc  
341 BSi Boron silicide bsi  
342 C2 Carbon diatomic c2  
343 C2- carbon diatomic anion c2-  
344 C2+ carbon diatomic cation c2+  
345 SiC silicon monocarbide sic  
346 SiC- silicon monocarbide anion sic-  
347 SiC+ silicon monocarbide cation sic+  
348 Si2 Silicon diatomic si2  
349 Si2- silcon diatomic anion si2-  
350 Si2+ silcon diatomic cation si2+  
351 GeC Germanium monocarbide gec  
352 SiGe Silicon Germanium sige  
353 Ge2 Germanium diatomic ge2  
354 C2H Ethynyl radical c2h  
355 C2H- Ethynyl anion c2h-  
356 C2H+ Ethynyl cation c2h+  
357 ZnCH2 Zinc methylene znch2  
358 C2H2 Acetylene c2h2  
359 C2H2+ acetylene cation c2h2+  
360 CCH2 vinylidene vinylidene  
361 H2CC- vinylidene anion h2cc-  
362 HCCH- acetylene anion c2h2-  
363 Si2H2 disilyne si2h2  
364 CH3Li methyl lithium ch3li  
365 CuCH3 monomethyl copper cuch3  
366 ZnCH3 Zinc monomethyl znch3  
367 CH2BH methyleneborane ch2bh  
368 C2H3 vinyl c2h3  
369 C2H3- vinyl anion c2h3-  
370 C2H3+ vinyl cation c2h3+  
371 C2H4 Ethylene c2h4  
372 C2H4- Ethylene anion c2h4-  
373 C2H4+ Ethylene cation c2h4+  
374 CH3CH methylmethylene ch3ch  
375 CH2SiH2 silaethylene ch2sih2  
376 Si2H4 Disilene si2h4  
377 CH3BH2 methylborane ch3bh2  
378 C2H5 Ethyl radical c2h5  
379 C2H5- Ethyl anion c2h5-  
380 C2H5+ Ethyl cation c2h5+  
381 C2H6 Ethane c2h6  
382 C2H6+ ethane cation c2h6+  
383 CH3SiH3 methyl silane ch3sih3  
384 GeH3CH3 methyl germane geh3ch3  
385 C2H7+ Ethane, protonated c2h7+  
386 LiN Lithium Nitride lin  
387 LiN+ Lithium Nitride cation lin+  
388 LiP Lithium monophosphide lip  
389 BeN Beryllium mononitride ben  
390 BeN- Beryllium mononitride anion ben-  
391 BeN+ Beryllium mononitride cation ben+  
392 MgN Magnesium Nitride mgn  
393 BN- boron nitride anion bn-  
394 AlN- aluminum mononitride anion aln-  
395 AlN+ aluminum mononitride cation aln+  
396 BP Boron monophosphide bp  
397 AlP Aluminum monophosphide alp  
398 GaN Gallium mononitride gan  
399 GaP Gallium monophosphide gap  
400 GaAs Gallium arsenide gaas  
401 BN boron nitride bn  
402 BN+ boron nitride cation bn+  
403 AlN Aluminum nitride aln  
404 CN Cyano radical cn  
405 CN- cyanide anion cn-  
406 CN+ Cyano cation cn+  
407 CP Carbon monophosphide cp  
408 CP- carbon monophosphide anion cp-  
409 CP+ carbon monophosphide cation cp+  
410 SiN Silicon nitride sin  
411 SiN- silicon mononitride anion sin-  
412 SiN+ silicon mononitride cation sin+  
413 SiP Silicon monophosphide sip  
414 SiP- Silicon monophosphide anion sip-  
415 SiP+ Silicon monophosphide cation sip+  
416 TiN Titanium mononitride tin  
417 N2 Nitrogen diatomic n2  
418 N2- nitrogen diatomic anion n2-  
419 N2+ diatomic nitrogen cation n2+  
420 PN- phosphorus nitride anion pn-  
421 PN+ phosphorus nitride cation pn+  
422 P2 Phosphorus diatomic p2  
423 P2- phosphorus diatomic anion p2-  
424 P2+ phosphorus diatomic cation p2+  
425 AsN Arsenic mononitride asn  
426 AsP Arsenic monophosphide asp  
427 SbN Antimony nitride sbn  
428 As2 Arsenic diatomic as2  
429 HNB hydrogen nitrogen boron hnb  
430 HNC hydrogen isocyanide hnc  
431 HCN Hydrogen cyanide hcn  
432 HCN- Hydrogen cyanide anion hcn-  
433 HCN+ hydrogen cyanide cation hcn+  
434 HNC+ hydrogen isocyanide cation hnc+  
435 HCP Phosphaethyne hcp  
436 HCP+ Phosphaethyne cation hcp+  
437 NNH Dinitrogen monohydride nnh  
438 NNH+ Dinitrogen monohydride cation nnh+  
439 HPO Hydrogen phosphorus oxide hpo  
440 HPO+ Hydrogen phosphorus oxide cation hpo+  
441 LiNH2 lithium amide linh2  
442 HBNH Boranimine hbnh  
443 CNH2 Aminomethylidyne radical cnh2  
444 CNH2+ N-protonated hydrogen isocyanide cnh2+  
445 H2CN Dihydrogen cyanide radical h2cn  
446 H2CN+ hydrocyanonium cation h2cn+  
447 HCNH methyleneazane hcnh  
448 HCNH+ N-protonated HCN hcnh+  
449 H2NN Isodiazene h2nn  
450 N2H2 (E)-diazene n2h2  
451 N2H2 (Z)-Diazene n2h2z  
452 N2H2+ trans-diazene cation n2h2+  
453 CH2NH Methanimine ch3n  
454 CH2NH+ Methanimine cation ch2nh+  
455 CHNH2 aminomethylene chnh2  
456 CHNH2+ Aminocarbene cation chnh2+  
457 CH2PH Phosphaethene ch3p  
458 BH2NH2 Boranamine bh2nh2  
459 CH2NH2+ methyleneamine cation ch2nh2+  
460 N2H4 Hydrazine n2h4  
461 N2H4+ hydrazine cation n2h4+  
462 P2H4 Diphosphine p2h4  
463 CH3NH2 methyl amine ch3nh2  
464 CH3NH2+ methyl amine cation ch3nh2+  
465 CH3PH2 Methyl phosphine ch3ph2  
466 SiH3NH2 Silane, amino sih3nh2  
467 N2H5+ protonated hydrazine n2h5+  
468 BH3PH3 borane phosphine bh3ph3  
469 BH3NH3 borane ammonia bh3nh3  
470 CH3NH3 methyl ammonium radical ch3nh3  
471 CH3NH3+ protonated methylamine ch3nh3+  
472 CH3PH3+ methyl phosphine, protonated ch3ph3+  
473 NH3NH3 Ammonia Dimer nh3nh3  
474 N2H7+ ammonia ammonium dimer n2h7+  
475 LiO lithium oxide lio  
476 LiO- lithium oxide anion lio-  
477 LiO+ lithium oxide cation lio+  
478 LiS Lithium monosulfide lis  
479 LiS+ Lithium sulfide cation lis+  
480 NaO sodium monoxide nao  
481 NaO- sodium oxide anion nao-  
482 NaO+ sodium oxide cation nao+  
483 KO Potassium monoxide ko  
484 KO+ Potassium monoxide cation ko+  
485 NaS Sodium sulfide nas  
486 CuO Copper Monoxide cuo  
487 LiSe Lithium monoselenide lise  
488 BeO beryllium oxide beo  
489 BeO- Beryllium monoxide anion beo-  
490 BeO+ Beryllium monoxide cation beo+  
491 BeS beryllium sulfide bes  
492 MgO magnesium oxide mgo  
493 MgO- magnesium oxide anion mgo-  
494 MgO+ magnesium oxide cation mgo+  
495 CaO Calcium monoxide cao  
496 MgS magnesium sulfide mgs  
497 MgS- magnesium sulfide anion mgs-  
498 MgS+ magnesium sulfide cation mgs+  
499 CaS Calcium sulfide cas  
500 ZnO zinc monoxide zno  
501 ZnS Zinc sulfide zns  
502 BeS- Beryllium monosulfide anion bes-  
503 BeS+ Beryllium monosulfide cation bes+  
504 BO boron monoxide bo  
505 BO- boron monoxide anion bo-  
506 AlO Aluminum monoxide alo  
507 AlO- Aluminum monoxide anion alo-  
508 AlO+ aluminum monoxide cation alo+  
509 BS boron sulfide bs  
510 BS- boron monosulfide anion bs-  
511 BS+ boron monosulfide cation bs+  
512 AlS Aluminum sulfide als  
513 AlS- aluminum monosulfide anion als-  
514 AlS+ aluminum monosulfide cation als+  
515 ScO Scandium monoxide sco  
516 GaO Gallium monoxide gao  
517 GaS Gallium monosulfide gas  
518 BO+ boron monoxide cation bo+  
519 CO Carbon monoxide co  
520 CO- carbon monoxide anion co-  
521 CO+ carbon monoxide cation co+  
522 CS carbon monosulfide cs  
523 CS- carbon monosulfide anion cs-  
524 CS+ carbon monosulfide cation cs+  
525 SiO- silicon monoxide anion sio-  
526 SiO+ silicon monoxide cation sio+  
527 SiS- silicon monosulfide anion sis-  
528 SiS+ silicon monosulfide cation sis+  
529 TiO Titanium monoxide tio  
530 CSe Carbon monoselenide cse  
531 CSe- Carbon monoselenide anion cse-  
532 CSe+ Carbon monoselenide cation cse+  
533 GeO+ Germanium monoxide cation geo+  
534 GeS Germanium monosulfide ges  
535 SiSe Silicon Monoselenide sise  
536 SiSe+ Silicon Monoselenide cation sise+  
537 GeSe Germanium monoselenide gese  
538 NO Nitric oxide no  
539 NO- nitric oxide anion no-  
540 NO+ nitric oxide cation no+  
541 NS- nitrogen sulfide anion ns-  
542 NS+ nitrogen sulfide cation ns+  
543 PO- phosphorus monoxide anion po-  
544 PO+ phosphorus monoxide cation po+  
545 PS phosphorus sulfide ps  
546 PS- phosphorus monosulfide anion ps-  
547 PS+ phosphorus monosulfide cation ps+  
548 VO Vanadium monoxide vo  
549 AsO Arsenic monoxide aso  
550 NSe Nitrogen monoselenide nse  
551 AsS Arsenic monosulfide ass  
552 PSe Phosphorus monoselenide pse  
553 AsSe Arsenic monoselenide asse  
554 O2 Oxygen diatomic o2  
555 O2- oxygen diatomic anion o2-  
556 O2-- dioxygen dianion o2--  
557 O2+ diatomic oxygen cation o2+  
558 SO- sulfur monoxide anion so-  
559 SO+ sulfur monoxide cation so+  
560 S2 Sulfur diatomic s2  
561 S2- sulfur diatomic anion s2-  
562 S2+ sulfur diatomic cation s2+  
563 SeO Selenium monoxide seo  
564 SeO- selenium monoxide anion seo-  
565 SeO+ selenium monoxide cation seo+  
566 SeS Selenium monosulfide ses  
567 SeS- selenium monosulfide anion ses-  
568 SeS+ selenium monosulfide cation ses+  
569 TeO Tellurium monoxide teo  
570 Se2 Selenium diatomic se2  
571 Se2- selenium diatomic anion se2-  
572 Se2+ selenium diatomic cation se2+  
573 Te2 Tellurium diatomic te2  
574 LiOH lithium hydroxide lioh  
575 NaOH sodium hydroxide naoh  
576 KOH Potassium hydroxide koh  
577 BeOH beryllium monohydroxide beoh  
578 MgOH magnesium hydroxide mgoh  
579 CaOH Calcium monohydroxide caoh  
580 HBO Boron hydride oxide hbo  
581 COH Hydroxymethylidyne coh  
582 COH+ Carbon Monoxide, protonated coh+  
583 HCO Formyl radical hco  
584 HCO- formyl anion hco-  
585 HCO+ Formyl cation hco+  
586 HCS Thioformyl radical hcs  
587 HCS- Thioformyl anion hcs-  
588 HCS+ Thioformyl cation hcs+  
589 HNO Nitrosyl hydride hno  
590 HNO- Nitrosyl hydride anion hno-  
591 HNO+ Nitrosyl hydride cation hno+  
592 NOH Hydroxyimidogen noh  
593 NOH+ O-protonated nitric oxide noh+  
594 HNS Sulfur imide hns  
595 HNS- Sulfur imide anion hns-  
596 HO2 Hydroperoxy radical ho2  
597 HO2- Hydroperoxy anion ho2-  
598 HO2+ Hydroperoxy cation ho2+  
599 HSO+ Sulfur Monoxide, S-protonated HSO+  
600 SOH Sulfur Hydroxide soh  
601 SOH+ Sulfur Monoxide, protonated soh+  
602 HS2 Thiosulfeno radical hs2  
603 H2CO Formaldehyde h2co  
604 H2CO- formaldehyde anion h2co-  
605 H2CO+ formaldehyde cation h2co+  
606 HOCH hydroxycarbene hoch  
607 H2CS- thioformaldehyde anion h2cs-  
608 H2CS+ thioformaldehyde cation h2cs+  
609 H2CSe Selenoformaldehyde h2cse  
610 H2NO nitroxide h2no  
611 H2O2 Hydrogen peroxide h2o2  
612 H2O2+ Hydrogen peroxide cation h2o2+  
613 H2OO water oxide h2oo  
614 HOSH hydrogen thioperoxide hosh  
615 H2Se2 hydrogen diselenide h2se2  
616 CH2OH Hydroxymethyl radical ch2oh  
617 CH2OH+ hydroxymethyl cation ch2oh+  
618 CH3O Methoxy radical ch3o  
619 CH3O- methoxy anion ch3o-  
620 CH3O+ Methoxy cation ch3o+  
621 CH3S thiomethoxy ch3s  
622 H2CSH+ Thioformaldehyde, protonated h2csh+  
623 NH2OH hydroxylamine nh2oh  
624 NH2OH+ Hydroxylamine cation nh2oh+  
625 NH3O Ammonia Oxide nh3o  
626 H2POH Phosphinous acid h2poh  
627 H3PO Phosphine oxide h3po  
628 NH2SH Thiohydroxylamine nh2sh  
629 NH3S sulfidoazane nh3s  
630 H3O2+ hydrogen peroxide, protonated h3o2+  
631 CH3OH Methyl alcohol ch3oh  
632 CH3OH- Methyl alcohol anion ch3oh-  
633 CH3OH+ Methyl alcohol cation ch3oh+  
634 CH3SH+ Methanethiol cation ch3sh+  
635 SiH3OH silanol sih3oh  
636 CH3SeH Methane selenol ch3seh  
637 NH2OH2+ protonated hydroxylamine nh2oh2+  
638 NH3OH+ N-protonated hydroxylamine nh3oh+  
639 H2OH2O water dimer h2oh2o  
640 CH3OH2+ Methanol, protonated ch3oh2+  
641 H2ONH3 Water Ammonia Dimer h2onh3  
642 H5O2+ Dihydroxonium ion h5o2+  
643 LiF lithium fluoride lif  
644 LiCl- lithium chloride anion licl-  
645 LiCl+ lithium chloride cation licl+  
646 NaF sodium fluoride naf  
647 NaF- sodium fluoride anion naf-  
648 NaF+ sodium fluoride cation naf+  
649 KF Potassium Fluoride kf  
650 NaCl Sodium Chloride nacl  
651 NaCl- sodium chloride anion nacl-  
652 NaCl+ sodium chloride cation nacl+  
653 KCl Potassium Chloride kcl  
654 CuF Copper monofluoride cuf  
655 LiBr Lithium Bromide libr  
656 LiBr- lithium bromide anion libr-  
657 LiBr+ lithium bromide cation libr+  
658 CuCl Copper monochloride cucl  
659 NaBr Sodium Bromide nabr  
660 NaBr- sodium bromide anion nabr-  
661 NaBr+ sodium bromide cation nabr+  
662 KBr Potassium Bromide kbr  
663 LiI Lithium Iodide lii  
664 NaI Sodium Iodide nai  
665 KI Potassium Iodide ki  
666 LiF- lithium fluoride anion lif-  
667 LiF+ lithium fluoride cation lif+  
668 BeF Beryllium monofluoride bef  
669 BeF- Beryllium monofluoride anion bef-  
670 BeF+ Beryllium monofluoride cation bef+  
671 BeCl beryllium monochloride becl  
672 MgF Magnesium monofluoride mgf  
673 MgF- magnesium fluoride anion mgf-  
674 MgF+ magnesium fluoride cation mgf+  
675 CaF Calcium monofluoride caf  
676 MgCl magnesium monochloride mgcl  
677 MgCl- magnesium monochloride anion mgcl-  
678 MgCl+ magnesium monochloride cation mgcl+  
679 CaCl calcium monochloride cacl  
680 TiCl Titanium Monochloride ticl  
681 ZnF Zinc monofluoride znf  
682 ZnF- Zinc monofluoride anion znf-  
683 ZnF+ Zinc monofluoride cation znf+  
684 ZnCl Zinc monochloride zncl  
685 CaBr Calcium monobromide cabr  
686 BeCl- beryllium monochloride anion becl-  
687 BeCl+ beryllium monochloride cation becl+  
688 BF Boron monofluoride bf  
689 BF- Boron monofluoride anion bf-  
690 BF+ Boron monofluoride cation bf+  
691 AlF- Aluminum monofluoride anion alf-  
692 AlF+ Aluminum monofluoride cation alf+  
693 BCl boron monochloride bcl  
694 BCl- boron monochloride anion bcl-  
695 BCl+ boron monochloride cation bcl+  
696 AlCl Aluminum monochloride alcl  
697 AlCl- aluminum monochloride anion alcl-  
698 AlCl+ aluminum monochloride cation alcl+  
699 ScF Scandium monofluoride scf  
700 BBr Boron monobromide bbr  
701 GaF Gallium monofluoride gaf  
702 GaF+ Gallium monofluoride cation gaf+  
703 AlBr Aluminum monobromide albr  
704 GaCl Gallium monochloride gacl  
705 GaCl+ Gallium monochloride cation gacl+  
706 AlI Aluminum monoiodide ali  
707 GaBr Gallium monobromide gabr  
708 CF Fluoromethylidyne cf  
709 CF- carbon monofluoride anion cf-  
710 CF+ carbon monofluoride cation cf+  
711 CCl carbon monochloride ccl  
712 CCl- carbon monochloride anion ccl-  
713 CCl+ carbon monochloride cation ccl+  
714 SiF silicon monofluoride sif  
715 SiF- silicon monofluoride anion sif-  
716 SiF+ silicon monofluoride cation sif+  
717 SiCl Clorosilylidyne sicl  
718 SiCl- silicon monochloride anion sicl-  
719 SiCl+ silicon monochloride cation sicl+  
720 CBr Carbon monobromide cbr  
721 GeF Germanium monofluoride gef  
722 GeF+ Germanium monofluoride cation gef+  
723 GeCl Germanium monochloride gecl  
724 SiBr Silicon monobromide sibr  
725 SiBr+ Silicon monobromide cation sibr+  
726 NF nitrogen fluoride nf  
727 NF- nitrogen monofluorine anion nf-  
728 NF+ nitrogen monofluoirde cation nf+  
729 NCl- nitrogen monochloride anion ncl-  
730 NCl+ nitrogen monochloride cation ncl+  
731 PF phosphorus monofluoride pf  
732 PF- phosphorus monofluoride anion pf-  
733 PF+ phosphorus monofluoride cation pf+  
734 PCl phosphorus chloride pcl  
735 PCl- phosphorus monochloride anion pcl-  
736 PCl+ phosphorus monochloride cation pcl+  
737 AsF Arsenic monofluoride asf  
738 NBr nitrogen monobromide nbr  
739 AsCl Arsenic monochloride ascl  
740 PBr Phosphorus monobromide pbr  
741 SbF Antimony monofluoride sbf  
742 SbCl Antimony monochloride sbcl  
743 FO Oxygen monofluoride fo  
744 FO- flourine oxide anion fo-  
745 FO+ fluorine monoxide cation fo+  
746 ClO Monochlorine monoxide clo  
747 ClO- chlorine monoxide anion clo-  
748 ClO+ chlorine monoxide cation clo+  
749 SF- sulfur monofluoride anion sf-  
750 SF+ sulfur monofluoride cation sf+  
751 SCl- sulfur monochloride anion scl-  
752 BrO Bromine monoxide bro  
753 BrO- Bromine monoxide anion bro-  
754 BrO+ Bromine monoxide cation bro+  
755 SeF Selenium monofluoride sef  
756 SBr Sulfur monobromide radical sbr  
757 SBr+ Sulfur monobromide cation sbr+  
758 SeCl Selenium monochloride secl  
759 IO Iodine monoxide io  
760 SeBr Selenium monobromide sebr  
761 BrCl Bromine monochloride brcl  
762 F2 Fluorine diatomic f2  
763 F2- flourine diatomic anion f2-  
764 F2+ flourine diatomic cation f2+  
765 ClF Chlorine monofluoride clf  
766 ClF- clorine monofluoride anion clf-  
767 ClF+ clorine monofluoride cation clf+  
768 Cl2 Chlorine diatomic cl2  
769 Cl2- chlorine diatomic anion cl2-  
770 BrF Bromine monofluoride brf  
771 BrF- bromine fluoride anion brf-  
772 BrF+ bromine fluoride cation brf+  
773 BrCl- bromine chloride anion brcl-  
774 BrCl+ bromine chloride cation brcl+  
775 IF Iodine monofluoride if  
776 Br2 Bromine diatomic br2  
777 Br2- bromine diatomic anion br2-  
778 Br2+ bromine diatomic cation br2+  
779 ICl Iodine monochloride icl  
780 IBr Iodine monobromide ibr  
781 I2 Iodine diatomic i2  
782 I2+ Iodine diatomic cation i2+  
783 HCF Fluoromethylene hcf  
784 HCCl Chloromethylene hccl  
785 HSiF fluorosilylene hsif  
786 HSiCl Chlorosilylene hsicl  
787 HSiBr monobromosilylene hsibr  
788 CHBr bromomethylene chbr  
789 HOF Hypofluorous acid hfo  
790 DOCl Hypochlorous acid-d docl  
791 HOCl+ hypochlorous acid cation hocl+  
792 HOBr Hypobromous acid hobr  
793 HOBr+ Hypobromous acid cation hobr+  
794 HOI Hypoiodous acid hoi  
795 F2H+ Fluorine, protonated f2h+  
796 FHF Hydrogen difluoride fhf  
797 FHF- Hydrogen difluoride anion fhf-  
798 ClFH+ Chlorine fluoride, F-protonated clfh+  
799 FClH+ Chlorine fluoride, Cl-protonated fclh+  
800 Cl2H+ Chlorine, protonated cl2h+  
801 CH2Br bromomethyl radical ch2br  
802 CH2F fluoromethyl radical ch2f  
803 CH2F+ fluoromethyl cation ch2f+  
804 CH2Cl+ chloromethyl cation ch2cl+  
805 CH2Cl chloromethyl radical ch2cl  
806 NH2F monofluoroamine nh2f  
807 NH2Cl chloramine nh2cl  
808 H2F2 Hydrogen fluoride dimer h2f2  
809 CH3F+ methyl fluoride cation ch3f+  
810 CD3F methylfluoride-d3 cd3f  
811 CH3F Methyl fluoride ch3f  
812 CD3Cl methyl chloride d3 cd3cl  
813 CH3Cl+ Methyl chloride cation ch3cl+  
814 CH3Br methyl bromide ch3br  
815 GeH3F monofluorogermane geh3f  
816 GeH3Cl monochlorogermane geh3cl  
817 SiH3Br bromosilane sih3br  
818 CH3I methyl iodide ch3i  
819 SiH3I Silyl Iodide sih3i  
820 NH3Cl+ protonated monochloroammonia nh3cl+  
821 CH3ClH+ methyl chloride, protonated ch3clh+  
822 NH4Cl Ammonium chloride nh4cl  
823 LiNe+ Lithium Neon cation line+  
824 Ne2 Neon diatomic ne2  
825 Ne2+ Neon diatomic cation ne2+  
826 Ar2 Argon diatomic ar2  
827 Ar2+ Argon diatomic cation ar2+  
828 Li3 Lithium trimer li3  
829 Li3+ Lithium trimer cation li3+  
830 C3 carbon trimer c3  
831 C3+ carbon trimer cation c3+  
832 SiC2 Silicon dicarbide sic2  
833 C3H3 cyclopropenyl radical cpr  
834 C3H3 Propargyl radical propargyl  
835 C3H3- Propargyl anion c3h3-  
836 C3H3+ cyclopropenyl cation cpr+  
837 C3H3+ Propargyl cation c3h3+  
838 C3H4 cyclopropene cprop  
839 CH2CCH2 allene allene  
840 CH3CCH propyne propyne  
841 C3H5 Allyl radical allyl  
842 C3H5+ Allyl cation allyl+  
843 CH3CHCH 1-propenyl radical ch3chch  
844 Zn(CH3)2 dimethyl zinc dmz  
845 C3H6 Cyclopropane c3h6  
846 CH2CHCH3 Propene propene  
847 C3H7 n-Propyl radical npropyl  
848 C3H7+ cyclopropane, protonated c3h7+  
849 CH3CHCH3 Isopropyl radical isopropyl  
850 CH3CHCH3+ Isopropyl cation prop2yl+  
851 C3H8 Propane propane  
852 SiH2(CH3)2 dimethylsilane dms  
853 LiCN lithium cyanide licn  
854 NaCN Sodium Cyanide nacn  
855 KCN Potassium cyanide kcn  
856 CuCN Copper cyanide cucn  
857 ZnCN Zinc monocyanide zncn  
858 ZnNC Zinc isocyanide znnc  
859 AlCN Aluminum monocyanide alcn  
860 AlNC Aluminum isocyanide alnc  
861 CN2 3H-Diazirin-3-ylidene cn2  
862 CNN Diazocarbene cnn  
863 NCN Cyanoimidogen ncn  
864 N3 azide radical n3  
865 N3- azide anion n3-  
866 N3+ azide cation n3+  
867 HCCN cyanomethylene hccn  
868 HCNN diazomethyl radical hcnn  
869 HN3 hydrogen azide hn3  
870 HN3+ Hydrazoic acid cation hn3+  
871 HNCNH diiminomethane hncnh  
872 CH2N2 diazirine ch2n2  
873 CH2NN diazomethane ch2nn  
874 NH2CN cyanamide cyanamide  
875 HNNNH+ 1,2-Triazadienium n2h3+  
876 NH2NN+ hydrazoic acid, protonated nh2nn+  
877 CH3CN Acetonitrile ch3cn  
878 CH3CN- acetonitrile anion ch3cn-  
879 CH3CN+ Acetonitrile cation ch3cn+  
880 CH3NC methyl isocyanide ch3nc  
881 CHNCH2 2H-Azirine c157164  
882 CHNHCH 1H-Azirine chnhch  
883 H2CCNH Ethenimine ch2cnh  
884 H2CNCH methyleneaminomethylene ch2nch  
885 HCCNH2 Ethynamine hccnh2  
886 HCNCH2+ 2H-Azirine cation hcnch2+  
887 HNCNH2+ diiminomethane, protonated hncnh2+  
888 NCNH3+ Cyanamide, protonated ncnh3+  
889 NH2CNH+ cyanamide, cn protonated nh2cnh+  
890 NH3CN+ cyanamide, amine protonated nh3cn+  
891 CH2CHNH vinylazine ch2chnh  
892 CH3CHN methylmethaniminyl radical ch3chn  
893 NHCHNH2 aminomethanimine cn2h4  
894 C2H5N Aziridine c2h5n  
895 CH2CHNH2 aminoethene aminoethene  
896 CH2NCH3 N-methylmethanimine nmm  
897 CH3CHNH ethanimine ethanimine  
898 NH2BHNH2 diaminoborane nh2bhnh2  
899 C2H5NH+ Protonated Aziridine c2h5nh+  
900 C2H6N+ aziridine, protonated c2h6n+  
901 NH2CH2NH2 diaminomethane nh2ch2nh2  
902 CH3CH2NH2 Ethylamine etam  
903 CH3NHCH3 Dimethylamine ch3nhch3  
904 CH3PHCH3 dimethylphosphine ch3phch3  
905 NH2CH2NH3+ diaminoethane, protonated pdam  
906 (CH3)2NH2+ dimethylammonium cation dmam  
907 CH3CH2NH3+ ethylamine, protonated pea  
908 Li2O dilithium oxide li2o  
909 Li2O+ dilithium oxide cation li2o+  
910 Li2S dilithium sulfide li2s  
911 Na2O disodium monoxide na2o  
912 LiO2 Lithium dioxide lio2  
913 NaO2 Sodium superoxide nao2  
914 CCO Dicarbon monoxide cco  
915 CNO- fulminate cno-  
916 NCO isocyanato radical nco  
917 NCO- cyanate nco-  
918 SCN thiocyanato radical scn  
919 SCN- thiocyanide anion scn-  
920 BO2 Boron dioxide bo2  
921 BO2- Boron dioxide anion bo2-  
922 BO2+ Boron dioxide cation bo2+  
923 N2O Nitrous oxide n2o  
924 N2O- Nitrous oxide anion n2o-  
925 N2O+ Nitrous oxide cation n2o+  
926 NNS Nitrogen sulfide nns  
927 PPO Phosphorus oxide phosphide ppo  
928 CO2 Carbon dioxide co2  
929 CO2- Carbon dioxide anion co2-  
930 CO2+ Carbon dioxide cation co2+  
931 OCS+ Carbonyl sulfide cation cos+  
932 SiO2 silicon dioxide sio2  
933 CS2 Carbon disulfide cs2  
934 CS2- Carbon disulfide anion cs2-  
935 CS2+ Carbon disulfide cation cs2+  
936 TiO2 Titanium dioxide tio2  
937 SiS2 Silicon disulfide sis2  
938 GeO2 Germanium dioxide geo2  
939 OCSe Carbonyl selenide ocse  
940 SCSe Carbon sulfide selenide scse  
941 GeS2 Germanium disulfide ges2  
942 CSe2 Carbon diselenide cse2  
943 SCTe Carbon sulfide Telluride scte  
944 NO2 Nitrogen dioxide no2  
945 NO2- Nitrogen dioxide anion no2-  
946 NO2+ Nitrogen dioxide cation no2+  
947 NSO sulfinyl amidogen NSO  
948 PO2 Phosphorus dioxide po2  
949 PO2- Phosphorus dioxide anion po2-  
950 PO2+ Phosphorus dioxide cation po2+  
951 SNO Nitrogen oxide sulfide sno  
952 AsO2 Aresenic dioxide aso2  
953 O3 Ozone o3  
954 O3- Ozone anion o3-  
955 O3+ Ozone cation o3+  
956 SO2- Sulfur dioxide anion so2-  
957 SO2+ Sulfur dioxide cation so2+  
958 SSO Disulfur monoxide sso  
959 S3 Sulfur trimer s3  
960 S3- Sulfur trimer anion s3-  
961 S3+ Sulfur trimer cation s3+  
962 SeO2 Selenium dioxide seo2  
963 SeO2+ Selenium dioxide cation seo2+  
964 TeO2 Tellurium Dioxide teo2  
965 HCCO ketenyl radical ketenyl  
966 CS2H+ Carbon disulfide, protonated cs2h+  
967 HCNO fulminic acid hcno  
968 HNCO Isocyanic acid hnco  
969 HOCN cyanic acid hocn  
970 HNCS Isothiocyanic acid hncs  
971 HSCN thiocyanic acid hscn  
972 HCO2- formate anion hco2-  
973 HNNO nitrosoazane hnno  
974 HNNO+ Nitrous oxide, N-protonated hnno+  
975 NNOH+ Nitrous Oxide, O-protonated nnoh+  
976 HCOO formate neutral radical hcoo  
977 HOCO Hydrocarboxyl radical hoco  
978 HOCO+ Hydrocarboxyl cation hoco+  
979 HNO2 Nitrous acid hno2  
980 HNO2+ nitrous acid cation hno2+  
981 O3H+ protonated ozone o3h+  
982 SO2H+ protonated sulfur dioxide so2h+  
983 C2H2O Oxirene oxirene  
984 CH2CO Ketene ch2co  
985 CH2CO+ Ketene cation ch2co+  
986 HCCOH ethynol hccoh  
987 Be(OH)2 Beryllium hydroxide beo2h2  
988 Mg(OH)2 Magnesium dihydroxide h2mgo2  
989 NH2NO Nitrosamide nh2no  
990 CH2O2 Dioxirane diox  
991 H2COO Dioxymethyl radical h2coo  
992 H2COO+ dioxymethyl cation h2coo+  
993 HCOOH Formic acid ch2o2  
994 H2O3 Hydrogen trioxide h2o3  
995 HSSSH trisulfane hsssh  
996 NaOCH3 Sodium methoxide naoch3  
997 CH2BOH hydroxy(methylene)borane ch2boh  
998 BH3CO Borane carbonyl bh3co  
999 CH3BO Borane, methyloxo- ch3bo  
1000 CH2CHO Vinyloxy radical ch2cho  
1001 CH2COH+ ketene, protonated ch2coh+  
1002 CH3CO Acetyl radical ch3co  
1003 CH3CO- Acetyl anion ch3co-  
1004 CH3CO+ acetyl cation ch3co+  
1005 CH2NOH formaldoxime ch2noh  
1006 CH3NO nitrosomethane ch3no  
1007 CHONH2 formamide formamide  
1008 CNOH3 1,2-oxaziridine cnoh3  
1009 HOCHNH hydroxymethylimine hochnh  
1010 CHSNH2 thioformamide chsnh2  
1011 NHCHSH Methanimidothioic acid nhchsh  
1012 CH2OOH CH2OOH radical ch2ooh  
1013 CH3OO methylperoxy radical ch3oo  
1014 CH3OO- methylperoxy anion ch3oo-  
1015 CH3OO+ methylperoxy cation ch3oo+  
1016 C2H4O Ethylene oxide c2h4o  
1017 C2H4O+ ethylene oxide cation c2h4o+  
1018 CH2CHOH ethenol ch2choh  
1019 CH3CHO Acetaldehyde ch3cho  
1020 CH3CHO+ acetaldehyde cation ch3cho+  
1021 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1022 C2H4S Thiirane thiirane  
1023 CH2CHSH Ethenethiol ch2chsh  
1024 CH3CHS Thioacetaldehyde ch3chs  
1025 H2CONH2+ protonated formamide h2conh2+  
1026 NH2CHOH+ Formamide, O-protonated nh2choh+  
1027 NH3CHO+ Formamide, N-Protonated nh3cho+  
1028 CH2(OH)2 methanediol ch2o2h2  
1029 CH3OOH Methyl peroxide ch3ooh  
1030 CH3SSH Hydrogen methyl disulfide ch3ssh  
1031 HSCH2SH Methanedithiol ch4s2  
1032 H2OH2CO water formaldehyde dimer h2oh2co  
1033 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1034 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1035 CH3CH2O Ethoxy radical ethoxy  
1036 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1037 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1038 CH3OCH2 methoxymethyl radical ch3och2  
1039 NH2CH2OH aminomethanol nh2ch2oh  
1040 CH3CH2OH Ethanol etoh  
1041 CH3OCH3 Dimethyl ether meome  
1042 CH3SCH3+ dimethyl sulfide cation mesme+  
1043 CH3SeCH3 dimethylselenide dmse  
1044 CH3OHH2O methanol water dimer ch3ohh2o  
1045 H2OCH3OH water methanol dimer h2och3oh  
1046 CuF2 Copper difluoride cuf2  
1047 ZnF2 Zinc difluoride znf2  
1048 CNF iso cyanogen fluoride cnf  
1049 FCN Cyanogen fluoride fcn  
1050 ClCN chlorocyanogen clcn  
1051 BrCN Cyanogen bromide brcn  
1052 ICN Cyanogen iodide icn  
1053 FBO Boron monofluoride monoxide fbo  
1054 BeF2 Beryllium fluoride bef2  
1055 MgF2 Magnesium fluoride mgf2  
1056 BeCl2 Beryllium chloride becl2  
1057 MgCl2 Magnesium dichloride mgcl2  
1058 CaCl2 Calcium Chloride cacl2  
1059 ZnCl2 Zinc dichloride zncl2  
1060 BeBr2 Beryllium bromide bebr2  
1061 CaBr2 Calcium dibromide cabr2  
1062 CaF2 Calcium difluoride caf2  
1063 FCO Carbonyl fluoride fco  
1064 FCO+ Carbonyl fluoride cation fco+  
1065 ClCO carbonyl monochloride clco  
1066 BF2 Boron difluoride radical bf2  
1067 FNO Nitrosyl fluoride fno  
1068 FNS Thionitrosyl fluoride fns  
1069 FSN Thiazyl fluoride fsn  
1070 BrNO Nitrosyl bromide brno  
1071 INO Nitrosyl iodide ino  
1072 CF2 Difluoromethylene cf2  
1073 CF2- Difluoromethylene anion cf2-  
1074 CF2+ Difluoromethylene cation cf2+  
1075 CFCl chlorofluoromethylene cfcl  
1076 SiF2+ Silicon difluoride cation sif2+  
1077 CCl2 dichloromethylene ccl2  
1078 CCl2- dichloromethylene anion ccl2-  
1079 CCl2+ dichloromethylene cation ccl2+  
1080 SiCl2 Dichlorosilylene sicl2  
1081 GeF2 Germanium difluoride gef2  
1082 GeCl2 Germanium dichloride gecl2  
1083 CBr2 dibromomethylene cbr2  
1084 FOO Dioxygen monofluoride radical foo  
1085 FOO+ Fluorine dioxide cation foo+  
1086 ClOO chloroperoxy radical cloo  
1087 ClOO+ chloroperoxy cation cloo+  
1088 OClO- Chlorine dioxide anion oclo-  
1089 OClO+ Chlorine dioxide cation oclo+  
1090 ClS2 Sulfur chloride cls2  
1091 BrOO Bromine dioxide broo  
1092 OBrO Bromine dioxide radical obro  
1093 NF2 Difluoroamino radical nf2  
1094 NF2+ Difluoroamino cation nf2+  
1095 PF2 Phosphorus difluoride pf2  
1096 PF2+ Phosphorus difluoride cation pf2+  
1097 F2O Difluorine monoxide f2o  
1098 SF2- sulfur difluoride anion sf2-  
1099 SF2+ sulfur difluoride cation sf2+  
1100 Cl2O Dichlorine monoxide cl2o  
1101 SCl2 Sulfur dichloride scl2  
1102 SeF2 Selenium difluoride sef2  
1103 BrOCl Bromine hypochlorite brocl  
1104 SeCl2 Selenium Dichloride secl2  
1105 SBr2 Sulfur dibromide sbr2  
1106 SeBr2 Selenium dibromide sebr2  
1107 BrOBr Bromine oxide brobr  
1108 F3- trifluoride anion f3-  
1109 Cl3- trichloride anion cl3-  
1110 Br3- tribromide anion br3-  
1111 I3- triiodide i3-  
1112 SFCl Sulfur chloride fluoride sfcl  
1113 HCCF Fluoroacetylene hccf  
1114 HCCF+ fluoroacetylene cation hccf+  
1115 HCCCl Chloroacetylene hcccl  
1116 HCCBr bromoacetylene hccbr  
1117 HFCO formyl fluoride hfco  
1118 HFCO+ formyl fluoride cation hfco+  
1119 COHCl Formyl chloride cohcl  
1120 COHBr Formyl bromide cohbr  
1121 BHF2 Difluoroborane bhf2  
1122 BHCl2 Borane, dichloro- bhcl2  
1123 CHCl2 dichloromethyl radical chcl2  
1124 CHF2 difluoromethyl radical chf2  
1125 CHF2+ difluoromethyl cation chf2+  
1126 CHFCl Chlorofluoromethyl radical chfcl  
1127 CHFCl+ Chlorofluoromethyl cation chfcl+  
1128 CHCl2+ dichloromethyl cation chcl2+  
1129 CHBr2 dibromomethyl radical chbr2  
1130 HOClO Chlorous acid hoclo  
1131 NHF2 difluoramine nhf2  
1132 NHCl2 dichloroamine nhcl2  
1133 CH2F2 Methane, difluoro- ch2f2  
1134 CH2FCl fluorochloromethane ch2fcl  
1135 CH2BrF Methane, bromofluoro- ch2fbr  
1136 CH2BrCl Methane, bromochloro- ch2clbr  
1137 CH2FI fluoroiodomethane ch2fi  
1138 CH2Br2 dibromomethane ch2br2  
1139 CH2ClI chloroiodomethane ch2cli  
1140 CH2BrI bromoiodomethane ch2bri  
1141 CH2I2 Diiodomethane ch2i2  
1142 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1143 CH2CHF Ethene, fluoro- ch2chf  
1144 CH2CHF+ fluoroethene cation ch2chf+  
1145 C2H3Br vinyl bromide c2h3br  
1146 C2H3I Vinyl iodide c2h3i  
1147 CH2FOH fluoromethanol ch2foh  
1148 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1149 CHClCH3 1-chloroethyl radical chclch3  
1150 C2H5F fluoroethane c2h5f  
1151 CH3SiFH2 fluoromethylsilane ch3sifh2  
1152 C2H5Br Ethyl bromide etbr  
1153 C2H5I Ethyl iodide c2h5i  
1154 KrF2 Krypton difluoride krf2  
1155 XeF2 Xenon difluoride xef2  
1156 B4H10 Tetraborane(10) b4h10  
1157 C4 Carbon tetramer c4  
1158 C4+ Carbon tetramer cation c4+  
1159 C4H2 Diacetylene c4h2  
1160 C4H2+ diacetlyene cation c4h2+  
1161 C2H3CCH 1-Buten-3-yne c2h3cch  
1162 C4H4 cyclobutadiene cbd  
1163 C4H4 Tetrahedrane c4h4  
1164 H2CCCCH2 Butatriene h2cccch2  
1165 C4H6 1-Methylcyclopropene c3100047  
1166 C4H6 Cyclobutene c822355  
1167 C4H6 Methylenecyclopropane c6142730  
1168 CH2CCHCH3 1,2-Butadiene butad12  
1169 CH2CHCHCH2 1,3-Butadiene c106990  
1170 CH3CCCH3 2-Butyne c503173  
1171 CHCCH2CH3 1-Butyne c107006  
1172 CH3CHCHCH2 methylallyl radical c4h7  
1173 C4H8 methylcyclopropane mcp  
1174 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1175 CH2CHCH2CH3 1-Butene bute1  
1176 CH3CHCHCH3 2-Butene, (E)- bute2e  
1177 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1178 B(CH3)3 trimethylborane bme3  
1179 Al(CH3)3 trimethyl aluminum tma  
1180 C(CH3)3 Tert-butyl radical tbutyl  
1181 CH2CH(CH3)2 Isobutyl radical isobutyl  
1182 CH3CHCH2CH3 2-Butyl radical butyl2  
1183 CH3CH(CH3)CH3 Isobutane isobutane  
1184 CH3CH2CH2CH3 Butane butane  
1185 SiH(CH3)3 trimethylsilane trimsi  
1186 Li3N trilithium nitride li3n  
1187 C2N2 Cyanogen c2n2  
1188 C2N2+ Cyanogen cation c2n2+  
1189 P4 Phosphorus tetramer p4  
1190 As4 Arsenic tetramer as4  
1191 HCCCN Cyanoacetylene hcccn  
1192 HCCCN+ Cyanoacetylene cation hcccn+  
1193 H2CNCN cyanamide, methylene ch2ncn  
1194 HNCCNH Ethenediimine hnccnh  
1195 C3H3N acrylonitrile ch2chcn  
1196 C3H3N+ acrylonitrile cation ch2chcn+  
1197 CH3N3 methyl azide ch3n3  
1198 NH2CCNH2 Diaminoacetylene daa  
1199 NH2CH2CN Aminoacetonitrile aan  
1200 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1201 C2H5CN ethyl cyanide c2h5cn  
1202 CH5N3 Guanidine guanidine  
1203 C4H6 Bicyclo[1.1.0]butane c157335  
1204 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1205 H2NCHCHNH2 diaminoethylene dae  
1206 CH6N3+ guanidinium ch6n3+  
1207 C3H7N Cyclopropylamine cpram  
1208 CH7N3 triaminomethane tam  
1209 C3H7N Azetidine azet  
1210 C4H8 cyclobutane cbutane  
1211 C2H8N2 Ethylenediamine ethdiam  
1212 CH3NHNHCH3 dimethyl hydrazine dmh  
1213 CH3CH(NH2)CH3 2-Propanamine pram2  
1214 N(CH3)3 Trimethylamine trimeam  
1215 NH2CH2CH2CH3 1-Propanamine pram1  
1216 P(CH3)3 trimethylphosphine tmp  
1217 N(SiH3)3 trisilylamine tsa  
1218 As(CH3)3 trimethyl arsine tmas  
1219 (CH3)3NH+ protonated trimethyl amine ptma  
1220 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1221 Li2O2 dilithium dioxide li2o2  
1222 Na2O2 disodium dioxide na2o2  
1223 K2O2 dipotassium dioxide k2o2  
1224 C3O Tricarbon monoxide c3o  
1225 B2O2 Diboron dioxide b2o2  
1226 ONNO NO dimer onno  
1227 CO3 Carbon trioxide co3  
1228 CO3-- carbonate co3--  
1229 CS3-- Carbonotrithioate cs3--  
1230 NO3 Nitrogen trioxide no3  
1231 NO3- nitrate anion no3-  
1232 NO3+ nitrogen trioxide cation no3+  
1233 SO3- Sulfur trioxide anion so3-  
1234 SO3-- Sulfate dianion so3--  
1235 SO3+ Sulfur trioxide cation so3+  
1236 SeO3 selenium trioxide seo3  
1237 S4 Sulfur tetramer s4  
1238 TeO3 Tellurium trioxide teo3  
1239 HCO3- bicarbonate anion hco3-  
1240 HNO3 Nitric acid hno3  
1241 HSO3 Hydroxysulfonyl radical hso3  
1242 NH2NO2 nitramide nh2no2  
1243 C2H2CO cyclopropenone c2h2co  
1244 C3H2O Propadienal c3h2o  
1245 HCCCHO 2-propynal hcccho  
1246 C2H2O2 Ethanedial c2h2o2  
1247 C2H2O2+ Ethanedial cation c2h2o2+  
1248 H2CO3 Carbonic acid h2co3  
1249 H2CS3 thiocarbonic acid h2cs3  
1250 H2NO3+ Nitric Acid, Protonated h2no3+  
1251 H2SO3 Sulfurous acid h2so3  
1252 C2H3NO Nitrosoethylene c2h3no  
1253 CH3NCO methylisocyante ch3nco  
1254 HOCH2CN cyanomethanol hoch2cn  
1255 CH3COO- acetate anion ch3coo-  
1256 CH3NO2 Methane, nitro- ch3no2  
1257 CH3ONO Methyl nitrite ch3ono  
1258 NH2COOH Carbamic acid nh2cooh  
1259 H3BO3 Boric acid h3bo3  
1260 H3AlO3 Aluminum hydroxide h3alo3  
1261 H3CO3+ carbonic acid, protonated h3co3+  
1262 C3H4O 2-Propyn-1-ol c107197  
1263 C3H4O allenol c9000071  
1264 C3H4O Cyclopropanone cpone  
1265 C3H4O Methylketene c6004440  
1266 CH2CHCHO Acrolein c3h4o  
1267 NH2CONH2 Urea urea  
1268 NH2CONH2+ Urea cation urea+  
1269 NH2CSNH2 Thiourea thiourea  
1270 C2H4O2 1,3-dioxetane c2h4o2  
1271 CH3COOH Acetic acid ch3cooh  
1272 CH3OCHO methyl formate ch3ocho  
1273 CHOCH2OH hydroxy acetaldehyde haa  
1274 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1275 NH3COOH+ protonated Carbamic acid nh3cooh+  
1276 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1277 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1278 HCOOHH2O Formic acid water dimer hcoohh2o  
1279 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1280 CH3COCH2 Acetonyl radical ch3coch2  
1281 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1282 CH3C(OH)=NH Ethaninidic acid eia  
1283 CH3CHNOH Acetaldoxime acetaldoxime  
1284 CH3CONH2 Acetamide acetamide  
1285 HCONHCH3 N-methylformamide nmfa  
1286 CH3CSNH2 Ethanethioamide ch3csnh2  
1287 CH5N2O+ urea, N-protonated ch4n2o+  
1288 H2NCOHNH2+ urea, protonated ureah+  
1289 C2H5OO ethylperoxy radical c2h5oo  
1290 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1291 C3H5OH Cyclopropanol cproh  
1292 C3H6O 2-Propen-1-ol c107186  
1293 C3H6O Acetone enol enol  
1294 C3H6O Oxetane oxetane  
1295 C3H6O Propylene oxide prox  
1296 CH3CH2CHO Propanal propanal  
1297 CH3COCH3 Acetone acetone  
1298 CH3COCH3- acetone anion ch3coch3-  
1299 C3H6S Thiirane, methyl- methiirane  
1300 CH3CSCH3 Thioacetone ch3csch3  
1301 C2H6O2 1,2-Ethanediol ethdiol  
1302 CH3OOCH3 dimethylperoxide dmp  
1303 CH3SOCH3 Dimethyl sulfoxide dmso  
1304 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1305 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1306 CH3COHCH3+ acetone, protonated acetoneh+  
1307 HOCH2CH2NH2 monoethanolamine mea  
1308 C3H7OH 1-Propanol proh  
1309 CH3CHOHCH3 Isopropyl alcohol isoproh  
1310 CH3OC2H5 Ethane, methoxy- etome  
1311 C3H7SH 1-Propanethiol prsh  
1312 CH3CHSHCH3 2-Propanethiol isoprsh  
1313 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1314 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1315 Li2F2 Lithium fluoride dimer li2f2  
1316 Na2F2 Sodium Fluoride Dimer na2f2  
1317 Na2Cl2 Disodium dichloride na2cl2  
1318 C2F2 difluoroacetylene c2f2  
1319 C2Cl2 dichloroacetylene c2cl2  
1320 C2Cl2+ dichloroacetylene cation c2cl2+  
1321 FNO2 Nitryl fluoride fno2  
1322 FONO Nitrosyl hypofluorite fono  
1323 ClNO2 Nitryl chloride clno2  
1324 ClONO chlorine nitrite clono  
1325 BrONO Bromine nitrite brono  
1326 N2F2 (Z)-Difluorodiazene n2f2_z  
1327 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1328 CF2O Carbonic difluoride f2co  
1329 CF2O+ Carbonic difluoride cation f2co+  
1330 COFCl Carbonic chloride fluoride cofcl  
1331 CCl2O Phosgene cl2co  
1332 Cl2CS Thiophosgene cl2cs  
1333 COBr2 Carbonic dibromide cobr2  
1334 BF3 Borane, trifluoro- bf3  
1335 BF3- Borane, trifluoro- anion bf3-  
1336 BF3+ boron trifluoride cation bf3+  
1337 AlF3 Aluminum trifluoride alf3  
1338 BClF2 Chlorodifluoroborane bclf2  
1339 AlF2Cl Aluminum chloride difluoride alclf2  
1340 ScF3 Scandium trifluoride ScF3  
1341 AlFCl2 Aluminum dichloride fluoride alcl2f  
1342 BCl3 Borane, trichloro- bcl3  
1343 BCl3+ Boron Trichloride cation bcl3+  
1344 GaF3 Gallium trifluoride gaf3  
1345 AlCl3 Aluminum trichloride alcl3  
1346 GaCl3 Gallium trichloride gacl3  
1347 BBr3 Boron tribromide bbr3  
1348 AlBr3 Aluminum Bromide albr3  
1349 ClO3 Chlorine trioxide clo3  
1350 ClO3- chlorate anion clo3-  
1351 BrO3- Bromate anion bro3-  
1352 CF3 Trifluoromethyl radical cf3  
1353 CF3- Trifluoromethyl anion cf3-  
1354 CF3+ Trifluoromethyl cation cf3+  
1355 CF2Cl difluorochloromethyl radical cf2cl  
1356 SiF3 Silicon trifluoride radical sif3  
1357 SiF3+ Silicon trifluoride cation sif3+  
1358 CFCl2 dichlorofluoromethyl radical cfcl2  
1359 CCl3 Trichloromethyl radical ccl3  
1360 CCl3- Trichloromethyl anion ccl3-  
1361 CCl3+ Trichloromethyl cation ccl3+  
1362 SiCl3 trichlorosilyl radical sicl3  
1363 SiCl3+ trichlorosilyl cation sicl3+  
1364 CBr3 tribromomethyl radical cbr3  
1365 FOOF Perfluoroperoxide foof  
1366 F2SO Thionyl Fluoride f2so  
1367 ClOOCl Dichlorine dioxide cloocl  
1368 FSSF Difluorodisulfane fssf  
1369 S2F2 Thio-thionyl fluoride s2f2  
1370 SOCl2 thionyl chloride socl2  
1371 SSCl2 Thiothionyl chloride sscl2  
1372 SeOCl2 selenium oxychloride seocl2  
1373 NF3 Nitrogen trifluoride nf3  
1374 NF3- Nitrogen trifluoride anion nf3-  
1375 NF3+ Nitrogen trifluoride cation nf3+  
1376 NCl3 nitrogen trichloride ncl3  
1377 AsF3 Arsenic trifluoride asf3  
1378 PCl3 Phosphorus trichloride pcl3  
1379 SbF3 Antimony Trifluoride sbf3  
1380 AsCl3 Arsenous trichloride ascl3  
1381 SbCl3 Antimony Trichloride sbcl3  
1382 NBr3 Nitrogen Tribromide nbr3  
1383 PBr3 Phosphorus tribromide pbr3  
1384 AsBr3 Arsenic tribromide asbr3  
1385 NI3 Nitrogen triiodide ni3  
1386 PI3 Phosphorus triiodide pi3  
1387 ClSSCl Disulfur dichloride s2cl2  
1388 SF3 Sulfur trifluoride sf3  
1389 BrF3 Bromine trifluoride brf3  
1390 IF3 iodone trifluoride if3  
1391 HClO3 Chloric Acid hclo3  
1392 CHF3 Methane, trifluoro- chf3  
1393 CHF2Cl difluorochloromethane chf2cl  
1394 CHFCl2 fluorodichloromethane chfcl2  
1395 CDCl3 trichloromethane-d cdcl3  
1396 CHCl3 Chloroform chcl3  
1397 CHBrF2 Methane, bromodifluoro- chbrf2  
1398 SiHCl3 Trichlorosilane sihcl3  
1399 CHFClBr fluorochlorobromomethane chfclbr  
1400 CHBrCl2 Methane, bromodichloro- chbrcl2  
1401 CHF2I difluoroiodomethane chf2i  
1402 CHBr2F dibromofluoromethane chbr2f  
1403 CHFClI fluorochloroiodomethane chfcli  
1404 CHCl2I dichloroiodomethane chcl2i  
1405 CHClBr2 Methane, dibromochloro- chclbr2  
1406 CHBr3 bromoform chbr3  
1407 CHI3 Iodoform chi3  
1408 NF3H+ protonated nitrogen trifluoride nf3h+  
1409 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1410 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1411 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1412 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1413 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1414 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1415 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1416 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1417 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1418 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1419 C2H2Br2 1,1-dibromoethene c2h2br2  
1420 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1421 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1422 CH2FCHO Fluoroacetaldehyde ch2fcho  
1423 CH3COF Acetyl fluoride ch3cof  
1424 CH2ClCHO chloroacetaldehyde ch2clcho  
1425 CH3COCl Acetyl Chloride ch3cocl  
1426 C2H4F2 1,2-difluoroethane c2h4f2  
1427 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1428 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1429 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1430 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1431 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1432 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1433 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1434 CH2CFCH3 2-fluoropropene 2fpro  
1435 CH2CHCH2F Allyl Fluoride allylf  
1436 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1437 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1438 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1439 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1440 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1441 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1442 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1443 CH2FCH2CH3 1-Fluoropropane prf1  
1444 CH3CHFCH3 2-Fluoropropane prf2  
1445 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1446 CH3CHClCH3 Propane, 2-chloro- prcl2  
1447 CH3CH2CH2Br n-propyl bromide prbr  
1448 CH3CHBrCH3 i-propyl bromide iprbr  
1449 C3H9O+ trimethyl oxonium cation c3h9o+  
1450 B5H9 pentaborane9 b5h9  
1451 C5H4 pentatetraene ptrene  
1452 C5H5 cyclopentadienyl radical c5h5  
1453 C5H5- cylopentadienyl anion c5h5-  
1454 C5H6 1,3-Cyclopentadiene c542927  
1455 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1456 C5H6 3-Penten-1-yne, (E)- c2004695  
1457 C5H6 3-Penten-1-yne, (Z)- c1574409  
1458 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1459 C5H6 Cyclopropylacetylene c6746947  
1460 C5H6 Propellane propellane  
1461 C5H7 1,3-pentadienyl radical pdyl  
1462 C5H7 cyclopentenyl radical cpyl  
1463 C5H8 1,2-Butadiene, 3-methyl- c598254  
1464 C5H8 1,2-Pentadiene c591957  
1465 C5H8 1,3-Butadiene, 2-methyl- c78795  
1466 C5H8 1,3-Pentadiene, (E)- c2004708  
1467 C5H8 1,3-Pentadiene, (Z)- c1574410  
1468 C5H8 1,4-Pentadiene c591935  
1469 C5H8 1-pentyne a1pentyne  
1470 C5H8 2,3-Pentadiene c591968  
1471 C5H8 Bicyclo[1.1.1]pentane bcp  
1472 C5H8 Cyclobutane, methylene- c1120565  
1473 C5H8 Cyclopentene c142290  
1474 C5H8 Ethenylcyclopropane c693867  
1475 CH3CCCH2CH3 2-Pentyne 2pentyne  
1476 C5H10 1-Butene, 2-methyl- c563462  
1477 C5H10 2-Butene, 2-methyl- c513359  
1478 C5H10 2-Pentene, (E)- c646048  
1479 C5H10 2-Pentene, (Z)- c627203  
1480 C5H10 Cyclopentane c287923  
1481 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1482 CH2CHCH2CH2CH3 1-pentene pentene  
1483 C5H11 2-Methylbut-2-yl radical c4348350  
1484 C5H12 Butane, 2-methyl- buta2  
1485 C5H12 Pentane pentane  
1486 C5H12 Propane, 2,2-dimethyl- neopentane  
1487 Si(CH3)4 tetramethylsilane tms  
1488 N2O3 Dinitrogen trioxide n2o3  
1489 C3H2N2 Malononitrile c3h2n2  
1490 CH2N4 1H-Tetrazole 1htz  
1491 C3H3N2 imidazolyl radical im  
1492 C3H3N2- imidizolyl anion im-  
1493 C2H3N3 1H-1,2,4-Triazole c288880  
1494 C4H4N pyrrolide radical c4h4n  
1495 C4H4N- pyrrolide anion c4h4n-  
1496 C3H4N2 1H-Imidazole 1himidaz  
1497 C3H4N2 1H-Pyrazole 1hpyraz  
1498 C3H4N2 2H-Imidazole imid2h  
1499 C3H4N2 4H-Imidazole imid4h  
1500 C4H5N (E)-2-Butenenitrile c627269  
1501 C4H5N (Z)-2-Butenenitrile c1190767  
1502 C4H5N 2H-pyrrole pyrrole2  
1503 C4H5N 3H-pyrrole pyrrole3  
1504 C4H5N Cyclopropanecarbonitrile c5500210  
1505 C4H5N Pyrrole pyrrole  
1506 CH2CHCH2CN Allylcyanide ch2chch2cn  
1507 C4H6N+ pyrrole, alpha-protonated appyr  
1508 C4H6N+ pyrrole, beta-protonated bppyr  
1509 C4H6N+ pyrrole, protonated ppyr  
1510 C3H6N2 3-Aminopropionitrile c151188  
1511 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1512 CH3CH2CH2CN Butanenitrile c109740  
1513 C5H8 Bicyclo[2.1.0]pentane c185944  
1514 C5H8 Spiropentane c157404  
1515 C4H9N Cyclobutylamine cbam  
1516 C4H9N Pyrrolidine pyrrolidine  
1517 C3H10N2 1,2-Diaminopropane diampr12  
1518 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1519 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1520 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1521 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1522 NH(C2H5)2 diethylamine dea  
1523 NC4H12+ tetramethyl ammonium cation nc4h12+  
1524 C3O2 Carbon suboxide c3o2  
1525 C3O2+ Carbon suboxide cation c3o2+  
1526 B2O3 diboron trioxide b2o3  
1527 MgCO3 Magnesium Carbonate mgco3  
1528 BeCO3 Beryllium Carbonate beco3  
1529 CaCO3 Calcium Carbonate caco3  
1530 ONONO Nitrosyl nitrite onono  
1531 PO4--- phosphate po4---  
1532 SO4-- sulfate so4--  
1533 HOONO2 peroxy nitric acid hoono2  
1534 HSO4- bisulfate anion hso4-  
1535 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1536 C3H2O2 Propiolic acid c3h2o2  
1537 CHOCOOH oxo acetic acid oaa  
1538 CHOOCHO diformyl ether choocho  
1539 H2SeO4 Selenic acid h2seo4  
1540 C3H3NO Isoxazole isox  
1541 C3H3NO Oxazole oxazole  
1542 C3H3NS Thiazole thiazole  
1543 CH3C(O)OO acetyl peroxy radical ch3coo2  
1544 CH3NO3 Methyl nitrate ch3no3  
1545 H3PO4 Phosphoric Acid h3po4  
1546 C4H4O Furan furan  
1547 C4H4O+ Furan cation furan+  
1548 CH3COCCH 3-butyn-2-one c1423605  
1549 C4H4S Thiophene furans  
1550 C4H4Se selenophene c4h4se  
1551 C3H4O2 β–Propiolactone beta  
1552 C3H4O2 2-Propenoic acid propenoic2  
1553 C3H4O2 Methyl glyoxal megly  
1554 C3H4O2 propanedial propanedial  
1555 C3H4O2 propenalol propenalol  
1556 HOCHCCHOH allenediol aldiol  
1557 C2H4O3 1,2,3-trioxolane c2h4o3  
1558 C2H4O3 trioxolane124 triox  
1559 HOCH2COOH Hydroxyacetic acid hac  
1560 CH2CHCONH2 Acrylamide c79061  
1561 CH3OCH2CN Methoxyacetonitrile c1738369  
1562 CH5N3S Hydrazinecarbothioamide c79196  
1563 H2NCH2COOH Glycine glycine  
1564 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1565 C4H6O cis-2-butenal butenal2c  
1566 C4H6O Cyclobutanone cbutone  
1567 C4H6O Furan, 2,3-dihydro- furan23h  
1568 C4H6O Furan, 2,5-dihydro- furan25h  
1569 CH2CHOCHCH2 Vinyl ether vinylether  
1570 CHOCHCHCH3 2-Butenal butenal2  
1571 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1572 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1573 CH2CHSCHCH2 Divinyl sulfide divis  
1574 C2H6N2O Urea, methyl- c598505  
1575 C3H6O2 1,3-Dioxolane dioxolane  
1576 CH3CH2COOH Propanoic Acid propanoic  
1577 CH3COOCH3 methyl acetate aame  
1578 HCOOC2H5 Ethyl formate faee  
1579 C2H6O2S Dimethyl sulfone c67710  
1580 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1581 C3H7NO dimethylformamide dmf  
1582 C3H7NO Propanamide propanam  
1583 C2H3OC2H5 Ethene, ethoxy- c109922  
1584 C4H8O Cyclobutanol c2919235  
1585 C4H8O Furan, tetrahydro- thf  
1586 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1587 CH3COCH2CH3 2-Butanone buta2one  
1588 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1589 CHOCH2CH2CH3 Butanal butanal  
1590 C4H8S Thiophene, tetrahydro- tht  
1591 C3H8O2 1,3-Propanediol c504632  
1592 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1593 C3H8O2 Methane, dimethoxy- c109875  
1594 C3H8O2 Propylene glycol c57556  
1595 C3H8S2 1,3-Propanedithiol c109808  
1596 C4H10O 1-Butanol butanol1  
1597 C4H10O 1-Propanol, 2-methyl- c78831  
1598 C4H10O 2-Butanol, (.+/-.)- butanol2  
1599 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1600 C4H10O Ethoxy ethane etoet  
1601 C4H10O Methyl propyl ether meopr  
1602 C4H10O Propane, 2-methoxy- c598538  
1603 C4H10O+ 1-Butanol cation butanol1+  
1604 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1605 C2H5SC2H5 Diethyl sulfide etset  
1606 C4H9SH 1-Butanethiol bush  
1607 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1608 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1609 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1610 FNO3 Fluorine nitrate fno3  
1611 ClONO2 Chlorine nitrate clono2  
1612 BrONO2 Bromine nitrate brono2  
1613 TiCl4 Titanium tetrachloride ticl4  
1614 ClO4- perchlorate anion clo4-  
1615 BF4- tetrafluoroboron anion bf4-  
1616 ClFO3 Perchloryl fluoride clfo3  
1617 SO2Cl2 Sulfuryl chloride so2cl2  
1618 F3NO Nitrogen trifluoride oxide f3no  
1619 F3PO Phosphoryl fluoride pf3o  
1620 Cl3PO Phosphoryl chloride pcl3o  
1621 CF4 Carbon tetrafluoride cf4  
1622 CF3Cl Methane, chlorotrifluoro- cf3cl  
1623 SiF4 Silicon tetrafluoride sif4  
1624 CF2Cl2 difluorodichloromethane cf2cl2  
1625 TiF4 Titanium tetrafluoride tif4  
1626 CFCl3 Trichloromonofluoromethane cfcl3  
1627 CF3Br Bromotrifluoromethane cf3br  
1628 GeF4 Germanium tetrafluoride gef4  
1629 CCl4 Carbon tetrachloride ccl4  
1630 CCl4+ Carbon tetrachloride cation ccl4+  
1631 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1632 SiCl4 Silane, tetrachloro- sicl4  
1633 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1634 CF3I trifluoroiodomethane cf3i  
1635 CBrCl3 Methane, bromotrichloro- cbrcl3  
1636 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1637 GeCl4 Germanium Tetrachloride gecl4  
1638 CBr2ClF dibromochlorofluoromethane cbr2clf  
1639 CBr2Cl2 dibromodichloromethane cbr2cl2  
1640 CCl3I trichloroiodomethane ccl3i  
1641 CFBr3 fluorotribromomethane cfbr3  
1642 CFClBrI fluorochlorobromoiodomethane cfclbri  
1643 CBr3Cl tribromochloromethane cbr3cl  
1644 CF2I2 difluorodiiodomethane cf2i2  
1645 CBr4 Carbon tetrabromide cbr4  
1646 CCl2I2 dichlorodiiodomethane ccl2i2  
1647 SiBr4 Silicon tetrabromide sibr4  
1648 CBr3I tribromoiododmethane cbr3i  
1649 GeBr4 Germanium tetrabromide gebr4  
1650 CI4 tetraiodomethane ci4  
1651 SiI4 silicon tetraiodide sii4  
1652 ClOF3 Chlorine trifluoride oxide clof3  
1653 SeF4 Selenium tetrafluoride sef4  
1654 SCl4 Sulfur tetrachloride scl4  
1655 C2HF3 Trifluoroethylene c2hf3  
1656 C2HF3+ Trifluoroethylene cation c2hf3+  
1657 CHClCCl2 Trichloroethylene chclccl2  
1658 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1659 HClO4 perchloric acid hclo4  
1660 HSO3F Fluorosulfonic acid hso3f  
1661 CF3OH trifluoromethanol cf3oh  
1662 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1663 CHClCCHCl 1,3-dichloroallene chclcchcl  
1664 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1665 CHCl2CHO dichloroacetaldehyde chcl2cho  
1666 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1667 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1668 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1669 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1670 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1671 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1672 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1673 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1674 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1675 NH3BCl3 Amminetrichloroboron nh3bcl3  
1676 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1677 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1678 C3H5ClO Oxirane, (chloromethyl)- c106898  
1679 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1680 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1681 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1682 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1683 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1684 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1685 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1686 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1687 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1688 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1689 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1690 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1691 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1692 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1693 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1694 C4H9F 1-fluorobutane butaf1  
1695 CH3CHFCH2CH3 2-fluorobutane butaf2  
1696 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1697 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1698 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1699 XeF4 Xenon tetrafluoride xef4  
1700 C2H2N2O Furazan furazan  
1701 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1702 NH3BF3 Amminetrifluoroboron nh3bf3  
1703 C6H2 hexatriyne c6h2  
1704 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1705 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1706 C6H4 Benzyne benzyne  
1707 C6H5 phenyl phenyl  
1708 C6H5- phenyl anion phenyl-  
1709 C6H6 Prismane prismane  
1710 C6H6 1,2,4,5-Hexatetraene ht1245  
1711 C6H6 2,4-Hexadiyne hexadiyne  
1712 C6H6 3,4-Dimethylenecyclobutene cb34m  
1713 C6H6 Benzene benzene  
1714 C6H6 Benzvalene bv  
1715 C6H6 Dewar Benzene dewar  
1716 C6H6 Hexa-1,5-diene-3-yne hdy153  
1717 C6H6 Trimethylenecycopropane tmcp  
1718 C6H6+ Benzene cation c6h6+  
1719 C6H7+ benzene, protonated c6h7+  
1720 C6H8 (E)-hexa-1,3,5-triene c821078  
1721 C6H8 (E)-hexa-2,3,4-triene c59660650  
1722 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1723 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1724 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1725 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1726 C6H8 3-Methylenecyclopentene c930267  
1727 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1728 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1729 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1730 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1731 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1732 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1733 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1734 C6H10 1,5-Hexadiene c592427  
1735 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1736 C6H10 1-Hexyne hexyne1  
1737 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1738 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1739 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1740 C6H10 2-Hexyne c764352  
1741 C6H10 3-Hexyne hexyne3  
1742 C6H10 cyclohexene cyclohexene  
1743 C6H10 Cyclopentene, 1-methyl- c693890  
1744 C6H10 Cyclopentene, 3-methyl- c1120623  
1745 C6H10 Cyclopentene, 4-methyl- c1759815  
1746 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1747 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1748 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1749 C6H12 (E)-2-Hexene e2hexene  
1750 C6H12 (E)-3-methylpent-2-ene c616126  
1751 C6H12 (E)-hex-3-ene e3hexene  
1752 C6H12 (Z)-3-methylpent-2-ene c922623  
1753 C6H12 (Z)-hex-2-ene z2hexene  
1754 C6H12 (Z)-hex-3-ene z3hexene  
1755 C6H12 2,3-dimethylbut-1-ene c563780  
1756 C6H12 2,3-dimethyl-but-2-ene tmeet  
1757 C6H12 3-methylenepentane c760214  
1758 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1759 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1760 C6H12 Cyclohexane cyclohexane  
1761 C6H12 Cyclopentane, methyl- c96377  
1762 C6H12 Ethylcyclobutane c4806615  
1763 C6H12 hex-1-ene hexene1  
1764 C6H14 Butane, 2,2-dimethyl- buta22  
1765 C6H14 Butane, 2,3-dimethyl- buta23  
1766 C6H14 Hexane hexane  
1767 C6H14 Pentane, 2-methyl- penta2  
1768 C6H14 Pentane, 3-methyl- penta3  
1769 C4N2 2-Butynedinitrile c4n2  
1770 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1771 C4H2N2 Fumaronitrile c4h2n2  
1772 C2H2N4 sym-tetrazine ttz  
1773 C3H3N3 1,3,5-Triazine triazine135  
1774 CH3N5 5-Aminotetrazole c4418615  
1775 C4H4N2 1,3-Diazine diazine13  
1776 C4H4N2 Pyrazine pyrazine  
1777 C4H4N2 Pyridazine pyridazine  
1778 C4H4N2 Succinonitrile c110612  
1779 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1780 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1781 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1782 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1783 C5H5N E-2,4-pentadienenitrile bdcn  
1784 C5H5N Pyridine pyridine  
1785 B3N3H6 borazine borazine  
1786 C6H6 Fulvene fulvene  
1787 C5H6N+ Pyridinium c5h6n  
1788 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1789 C5H7N (E)-2-Pentenenitrile c26294984  
1790 C5H7N (E)-3-Pentenenitrile c16529661  
1791 C5H7N (Z)-2-Pentenenitrile c25899507  
1792 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1793 C5H7N Cyclobutanecarbonitrile c4426113  
1794 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1795 C5H9N Butanenitrile, 2-methyl- c18936179  
1796 C5H9N Pentanenitrile c110598  
1797 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1798 C6H10 Bicyclo[3.1.0]hexane c285585  
1799 C5H11N Cyclopentanamine cypentam  
1800 C5H11N Piperidine piper  
1801 C4H12N2 1,2-Butanediamine c4426486  
1802 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1803 Li2CO3 Lithium Carbonate li2co3  
1804 Na2CO3 Sodium Carbonate na2co3  
1805 C2O4-- oxalate anion c2o4  
1806 MgSO4 Magnesium Sulfate mgso4  
1807 N2O4 Dinitrogen tetroxide n2o4  
1808 C3H2O3 vinylene carbonate vica  
1809 C2H2O4 Oxalic Acid oxalic  
1810 C2H3NO3 Oxamic acid oxamic  
1811 C4H4O2 2(5H)-Furanone furanone  
1812 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1813 C2H4N2O2 Oxalamide oxalamide  
1814 C2H4N2S2 Ethanedithioamide c79403  
1815 C2H4CO3 Ethylene carbonate etco3  
1816 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1817 C3H4S3 1,3-Dithiolane-2-thione c822388  
1818 C2H4O4 Formic acid dimer fadimer  
1819 C4H5NO 3-Methylisoxazole isox3m  
1820 C4H5NO Isoxazole, 5-methyl- c5765446  
1821 C4H5NS 4-Methylthiazole c693958  
1822 C2H5NO3 Nitric acid, ethyl ester c625581  
1823 C5H6O 2H-Pyran pyran2  
1824 C5H6O 2-methylfuran furan2m  
1825 C5H6O 3-Methylfuran furan3m  
1826 C5H6O Pentadienal pdal  
1827 C5H6S Thiophene, 2-methyl- c554143  
1828 C5H6S Thiophene, 3-methyl- c616444  
1829 C4H6O2 γ–Butyrolactone c96480  
1830 C4H6O2 2,3-Butanedione c431038  
1831 C4H6O2 2-Propenoic acid, methyl ester c96333  
1832 C4H6O2 Crotonic Acid crot  
1833 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1834 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1835 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1836 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1837 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1838 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1839 C4H6OS Vinyl sulfoxide c1115157  
1840 CH6N4S Carbonothioic dihydrazide thiacarb  
1841 C2H6N2O2 (E)-Azodioxymethane c37765154  
1842 C2H6N2O2 Dimethylnitroamine c4164287  
1843 C3H6O3 1,3,5-Trioxane trioxane  
1844 C3H6S3 1,3,5-Trithiane c3h6s3  
1845 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1846 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1847 C4H7NO 2-Pyrrolidinone c616455  
1848 C4H7NO Ethoxyacetonitrile etoaccn  
1849 C4H7NO Methacrylamide c79390  
1850 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1851 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1852 C3H7ONO Propyl nitrite prono  
1853 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1854 CH3CH(NH2)COOH Alanine alanine  
1855 CH3NHCH2COOH Sarcosine sarcosine  
1856 NH2CH2CH2COOH β–alanine betaalanine  
1857 NH2COOC2H5 Urethane urethane  
1858 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1859 C5H8O Cyclopentanone c120923  
1860 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1861 C5H8O Methyl cyclopropyl ketone c765435  
1862 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1863 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1864 NH2CONHC2H5 Urea, ethyl- c625525  
1865 C4H8O2 1,3-Dioxane dioxan13  
1866 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1867 C4H8O2 1,4-Dioxane dioxan14  
1868 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1869 C4H8O2 Ethyl acetate c141786  
1870 C4H8OS s-Ethyl thioacetate c625605  
1871 C3H8O3 1,2,3-Propanetriol glycerin  
1872 C3H8O2S (Methylsulfonyl)ethane c594434  
1873 C4H9NO Butanamide c541355  
1874 C4H9NO Propanamide, 2-methyl- c563837  
1875 C5H10O 2-Butanone, 3-methyl- c563804  
1876 C5H10O 2H-Pyran, tetrahydro- c142687  
1877 C5H10O 2-methylbutyraldehyde 2meba  
1878 C5H10O 2-Pentanone mpk  
1879 C5H10O 3-Pentanone dek  
1880 C5H10O Cyclopentanol c96413  
1881 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1882 C5H10O Pentanal pal  
1883 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1884 C5H10S 3-Ethylthio-1-propene c5296628  
1885 C5H10S Cyclopentanethiol c1679078  
1886 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1887 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1888 C4H10O2 1,1-Dimethoxyethane c534156  
1889 C4H10O2 1,3-Butanediol budiol13  
1890 C4H10O2 1,4-Butanediol budiol14  
1891 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1892 C4H10OS Diethyl sulfoxide c70291  
1893 C4H10S2 1,4-Butanedithiol budisl14  
1894 C4H11NO Diethylhydroxylamine c3710847  
1895 C5H12O 1-Butanol, 2-methyl- c137326  
1896 C5H12O 1-Butanol, 3-methyl- c123513  
1897 C5H12O 1-Pentanol pentanol1  
1898 C5H12O 2-Butanol, 3-methyl- c598754  
1899 C5H12O 2-Pentanol peol2  
1900 C5H12O 3-Pentanol pentan3ol  
1901 C5H12O Butane, 1-methoxy- meobu  
1902 C5H12O Propane, 1-ethoxy- proet  
1903 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1904 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1905 C5H12S 1-Butanethiol, 3-methyl- c541311  
1906 C5H12S 1-Pentanethiol c110667  
1907 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1908 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1909 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1910 C5H12S Butane, 1-(methylthio)- c628295  
1911 C5H12S Ethyl propyl sulfide c4110503  
1912 C5H12S Propane, 2-(ethylthio)- c5145993  
1913 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1914 C4F2 difluorobutadiyne c4f2  
1915 ClCOClCO Oxalyl chloride oxcl  
1916 CF3CN Acetonitrile, trifluoro- cf3cn  
1917 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1918 B2F4 Diboron tetrafluoride b2f4  
1919 B2Cl4 Diboron tetrachloride b2cl4  
1920 C2F4 Tetrafluoroethylene c2f4  
1921 C2F4+ Tetrafluoroethylene cation c2f4+  
1922 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1923 CF2CCl2 difluorodichloroethylene cf2ccl2  
1924 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1925 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1926 C2FCl3 fluorotrichloroethene c2fcl3  
1927 C2Cl4 Tetrachloroethylene c2cl4  
1928 C2Br4 tetrabromoethene c2br4  
1929 CF3OF Trifluoromethylhypofluorite cf3of  
1930 SOF4 Sulfur tetrafluoride oxide sof4  
1931 PF5 Phosphorus pentafluoride pf5  
1932 AsF5 Arsenic pentafluoride asf5  
1933 PCl5 Phosphorus pentachloride pcl5  
1934 SF5 Sulfur pentafluoride sf5  
1935 SF5+ pentafluoro sulfur cation sf5+  
1936 SbCl5 Antimony pentachloride sbcl5  
1937 BrF5 bromine pentafluoride brf5  
1938 ClF5 chlorinepentafluoride clf5  
1939 IF5 pentafluoroiodine if5  
1940 CF3CHO trifluoroacetaldehyde cf3cho  
1941 CCl3CHO trichloroacetaldehyde ccl3cho  
1942 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1943 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1944 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1945 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1946 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1947 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1948 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1949 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1950 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1951 CF3COOH trifluoroacetic acid cf3cooh  
1952 C4H3ClO Furan, 2-chloro fur2cl  
1953 C4H3ClO Furan,3-chloro fur3cl  
1954 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1955 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1956 C4H8Cl2 1,4-Dichlorobutane c110565  
1957 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1958 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1959 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1960 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1961 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1962 C5H11Cl Pentane, 1-chloro- pencl1  
1963 C4H8O2 Butanoic acid bua  
1964 C6H5CH2 benzyl radical benzyl  
1965 C7H7 cycloheptatrienyl radical c7h7  
1966 C7H7+ cycloheptatrienyl cation c7h7+  
1967 C6H5CH3 toluene toluene  
1968 C7H8 cycloheptatriene cht  
1969 C7H8 Norbornadiene norbor  
1970 C7H8 Quadricyclane qucy  
1971 C7H12 Norbornane nor  
1972 C7H14 cycloheptane c7h14  
1973 C7H16 2-methylhexane 2mhex  
1974 C7H16 3-methylhexane hex3m  
1975 C7H16 heptane heptane  
1976 CH(CN)3 tricyanomethane mecn3  
1977 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1978 C6H7N 2-Methylpyridine mp  
1979 C6H5NH2 aniline aniline  
1980 C6H13N 2-Methylpiperidine pip2m  
1981 C6H13N cyclohexanamine cham  
1982 C6H15N triethylamine tea  
1983 N2O5 Dinitrogen pentoxide n2o5  
1984 C4H2O3 Maleic Anhydride malan  
1985 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1986 C5H4O2 furfural furfural  
1987 C6H5O phenoxy radical phenoxy  
1988 C5H5NO 2(1H)-Pyridinone c72762006  
1989 C5H5NO 2(3H)-Pyridinone c9000048  
1990 C5H5NO 2(5H)-Pyridinone c9000037  
1991 C5H5NO 2-Pyridinol c109104  
1992 C5H5NO 3(2H)-Pyridinone c9000004  
1993 C5H5NO 3(4H)-Pyridinone c9000026  
1994 C5H5NO 3(6H)-Pyridinone c9000015  
1995 C5H5NO 3-Pyridinol c109002  
1996 C5H5NO 4(1H)-Pryidinone c9000060  
1997 C5H5NO 4(3H)-Pryidinone c9000059  
1998 C5H5NO 4-Pyridinol c626642  
1999 C6H5OH phenol phenol  
2000 C6H6O 2,4-Cyclohexadienone c24599573  
2001 C6H6O 2,5-Cyclohexadienone c5664335  
2002 C6H5SH Benzenethiol phsh  
2003 HO2CCHNH2CH2OH Serine serine  
2004 C5H8O2 Acetylacetone acac  
2005 C4H8O2S Sulfolane sulfolane  
2006 C7H10 Norbornene norbornene  
2007 CH(C2H3)3 trivinyl methane tvm  
2008 C6H10O cyclohexanone chexo  
2009 C6H12O hexanal c6h12o  
2010 C6H12O Oxepane oxepane  
2011 C3H7OC3H7 di-n-propyl ether propr  
2012 F2CCCF2 tetrafluoroallene pfa  
2013 CF3COO- trifluoro acetate anion cf3coo-  
2014 CF3COF trifluoroacetyl fluoride cf3cof  
2015 CF3COCl trifluoroacetyl chloride cf3cocl  
2016 PF6 Hexafluorophosphate neutral pf6  
2017 PF6- Hexafluorophosphate ion pf6-  
2018 SF6 Sulfur Hexafluoride sf6  
2019 SeF6 Selenium hexafluoride sef6  
2020 SF5Cl sulfur chloropentafluoride sf5cl  
2021 CF3CHF2 pentafluoroethane cf3chf2  
2022 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2023 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2024 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2025 CCl3CHCl2 pentachloroethane ccl3chcl2  
2026 C6H5F Fluorobenzene bzf  
2027 C6H5Cl chlorobenzene bzcl  
2028 C6H5Br bromobenzene bzbr  
2029 C8H6 Calicene calicene  
2030 C6H5CCH phenylacetylene phac  
2031 C8H6 benzocyclobutadiene bcbd  
2032 C8H6 Pentalene pentalene  
2033 C6H5CHCH2 Styrene styrene  
2034 C8H8 cubane cubane  
2035 C8H8 cyclooctatetraene cot  
2036 C6H5CH2CH3 Ethylbenzene etbz  
2037 CH3C6H4CH3 meta-xylene mxylene  
2038 CH3C6H4CH3 paraxylene pxylene  
2039 C8H14 Bicyclo[2.2.2]octane bico222  
2040 C8H16 cyclooctane cyclooct  
2041 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2042 C8H18 Octane c8h18  
2043 C6H5CN phenyl cyanide phcn  
2044 C6H12N2 Triethylenediamine ted  
2045 C4O4-- squarate dianion c4o4--  
2046 S4N4 Tetrasulfur tetranitride s4n4  
2047 S8 Octasulfur s8  
2048 C6H4O2 parabenzoquinone pbq  
2049 C4H4N2O2 Uracil uracil  
2050 C6H5CHO benzaldehyde benzal  
2051 C6H5OCH3 Anisole anisole  
2052 C5H9NO2 Proline proline  
2053 C6H12O2 Methyl pivalate c598981  
2054 C6H12O2 Hexanoic acid hexa  
2055 C4F4 tetrafluorcyclobutadiene c4f4  
2056 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2057 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2058 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2059 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2060 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2061 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2062 C2F6 hexafluoroethane c2f6  
2063 C2Cl6 hexachloroethane c2cl6  
2064 IF7 Iodine heptafluoride if7  
2065 C6H4F2 metadifluorobenzene mdfb  
2066 C6H4F2 orthodifluorobenzene odfb  
2067 C6H4F2 1,4-difluorobenzene pdfb  
2068 C6H4Cl2 1,2-dichlorobenzene dcb12  
2069 C6H4Cl2 1,3-dichlorobenzene dcb13  
2070 C6H4Cl2 1,4-dichlorobenzene dcb14  
2071 C6H5NO nitrosobenzene bzno  
2072 C9H8 Indene indene  
2073 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2074 C9H12 n-propyl benzene prbz  
2075 C9H20 Nonane nonane  
2076 C(CN)4 tetracyanomethane c5n4  
2077 C5H4N4 purine purine  
2078 C8H7N Indole indole  
2079 C3H3N3O3 cyanuric acid cyanuric  
2080 C6H5NO2 Nitrobenzene c6h5no2  
2081 C6H5COOH benzoic acid benzo  
2082 CH3COC6H5 acetophenone acph  
2083 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2084 C3F6 hexafluoropropene c3f6  
2085 C6H3F3 Benzene trifluoride 123 bzf3a  
2086 C8H18O 1-Octanol octanol  
2087 C10H8 Azulene azu  
2088 C10H8 naphthalene naph  
2089 C10H10 bullvalene bullv  
2090 C10H16 adamantane adamantane  
2091 C6N4 Tetracyanoethylene tcne  
2092 C6N4- tetracyanoethylene anion tcne-  
2093 C10H22 Decane decane  
2094 C4F6 perfluorobutadiene c4f6  
2095 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2096 C3F8 perfluoropropane c3f8  
2097 Fe(CO)5 Iron pentacarbonyl ipc  
2098 Fe(C5H5)2 ferrocene fecp2  
2099 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2100 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2101 C12H8 Acenaphthylene acenaph  
2102 C12H8 biphenylene biph  
2103 C12H10 biphenyl biphenyl  
2104 C12H10 Heptalene heptalene  
2105 C6H12O6 Inositol inositol  
2106 C6F6 hexafluorobenzene c6f6  
2107 S2F10 disulphur decafluoride s2f10  
2108 C13H10 Fluorene fluorene  
2109 C14H10 Anthracene anth  
2110 C14H10 Phenanthrene phenanthrene  
2111 C14H14 Bibenzyl bibenzyl  
2112 C12H10N2 azobenzene azobenzene  
2113 C6H5COC6H5 benzophenone benzophenone  
2114 C16H10 Pyrene pyrene  
2115 C18H12 Tetracene tetracene  
2116 C19H16 Triphenylmethane tpm  
2117 C24H12 Coronene coronene  
2118 C60 Buckminsterfullerene c60