National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
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III.F.1. (I.A.4.)

List of which calculations are completed at MP3=FULL /aug-cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 Si Silicon atom 3PKh
2 SiH2 silicon dihydride 1A1C2v
3 SiH2 silicon dihydride 3B1C2v
4 SiH3 Silyl radical 2A1C3v
5 SiH4 Silane 1A1Td
6 P Phosphorus atom 4SKh
7 PH3 Phosphine 1A1C3v
8 PH4+ phosphonium cation   
9 S Sulfur atom 3PKh
10 HS Mercapto radical 2ΠC∞v
11 H2S Hydrogen sulfide 1A1C2v
12 H2S+ Hydrogen sulfide cation 2B1C2v
13 H3S+ Sulfonium cation 1A1C3v
14 HCl Hydrogen chloride 1ΣC∞v
15 BAl Boron Aluminum 3ΣC∞v
16 AlC Aluminum carbide 4ΣC∞v
17 Si2H6 disilane 1EuD3d
18 P2 Phosphorus diatomic 1ΣgD∞h
19 CH2PH Phosphaethene 1A'Cs
20 LiS Lithium monosulfide 2ΠC∞v
21 LiS+ Lithium sulfide cation 3ΣC∞v
22 NaS Sodium sulfide 2ΠC∞v
23 SiO Silicon monoxide 1ΣC∞v
24 SiS silicon monosulfide 1ΣC∞v
25 GeO Germanium monoxide 1ΣC∞v
26 NS Mononitrogen monosulfide 2ΠC∞v
27 PO Phosphorus monoxide 2ΠC∞v
28 PS phosphorus sulfide 2ΣC∞v
29 SO Sulfur monoxide 3ΣC∞v
30 SO Sulfur monoxide 1ΣC∞v
31 HBS hydrogen boron sulfide 1ΣC∞v
32 H2CS Thioformaldehyde 1A1C2v
33 H2S2 Disulfane 1AC2
34 H2S2+ hydrogen disulfide cation 2BgC2h
35 H3PO Phosphine oxide 1A1C3v
36 CH3SH Methanethiol 1A'Cs
37 CH3SH2+ protonated methylsulfide 1A'Cs
38 LiCl lithium chloride 1ΣC∞v
39 AlF Aluminum monofluoride 1Σ+C∞v
40 AlCl Aluminum monochloride 1ΣC∞v
41 GeCl+ Germanium monochloride cation   
42 NCl nitrogen monochloride 3ΣC∞v
43 SF Monosulfur monofluoride 2ΠC∞v
44 SCl sulfur monochloride 2ΠC∞v
45 SCl+ sulfur monochloride cation 3ΣgC∞v
46 Cl2- chlorine diatomic anion 2ΣuD∞h
47 Cl2+ chlorine diatomic cation 2ΠgD∞h
48 CH3Cl Methyl chloride 1A1C3v
49 SiH3F monofluorosilane 1A1C3v
50 SiH3Cl chlorosilane 1A1C1
51 Si3H8 trisilane   
52 Li2S dilithium sulfide 1ΣGD∞h
53 Li2S dilithium sulfide 1A1C2v
54 Na2S Sodium sulfide   
55 Na2S Sodium sulfide   
56 OCS Carbonyl sulfide 1ΣC∞v
57 SO2 Sulfur dioxide 1A1C2v
58 S3+ Sulfur trimer cation 2B2C2v
59 CH2CS Thioketene   
60 ClNO Nitrosyl chloride 1A'Cs
61 OPCl Phosphorus oxychloride   
62 SiF2 Silicon difluoride 1A1C2v
63 OClO Chlorine dioxide 2B1D∞h
64 ClSO Sulfur chloride oxide 2A"Cs
65 FClO chlorosyl fluoride 1A'Cs
66 ClOF Chlorine hypofluorite 1A'Cs
67 SF2 sulfur difluoride 1A1C2v
68 SCl2 Sulfur dichloride 1A1C2v
69 SiH2F2 difluorosilane   
70 SiH2Cl2 dichlorosilane 1A1C2v
71 S2N2 Disulfur dinitride 1AGD2h
72 SO3 Sulfur trioxide 1A1'D3h
73 ClO2F Chloryl fluoride 1A'Cs
74 ClF3 Chlorine trifluoride 1A1C2v
75 SiHF3 trifluorosilane   
76 SiH3CCl3 (trichloromethyl)silane 1A1C3v
77 SiF5- silicon pentafluoride anion   
78 PF6- Hexafluorophosphate ion 1A1GOh
79 SF5Cl sulfur chloropentafluoride 1A1C4v
80 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

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 anion si-  
110 Si+ Silicon atom cation si+  
111 Ti Titanium atom ti  
112 Ti- Titanium atom anion ti-  
113 Ti+ Titanium atom cation ti+  
114 Ge Germanium atom ge  
115 Ge- Germanium anion ge-  
116 Ge+ Germanium cation ge+  
117 Sn Tin atom sn  
118 Sn+ Tin cation sn+  
119 CH Methylidyne ch  
120 CH- methylidyne anion ch-  
121 CH+ Methylidyne cation ch+  
122 SiH Silylidyne sih  
123 SiH- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2- silicon dihydride anion sih2-  
131 SiH2+ silicon dihydride cation sih2+  
132 GeH2 germylene geh2  
133 GeH2- germylene anion geh2-  
134 CH3 Methyl radical ch3  
135 CH3- methyl anion ch3-  
136 CH3+ methyl cation ch3+  
137 SiH3- Silyl anion sih3-  
138 SiH3+ Silyl cation sih3+  
139 GeH3 Germyl radical geh3  
140 GeH3+ germyl cation geh3+  
141 CD4 methane-d4 cd4  
142 CH2D2 methane-d2 ch2d2  
143 CH3D methane-d ch3d  
144 CH4 Methane ch4  
145 CH4- Methane anion ch4-  
146 CH4+ Methane cation ch4+  
147 CHD3 methane-d3 chd3  
148 SiH2D2 silane-d2 sih2d2  
149 SiH4+ Silane cation sih4+  
150 GeH4 Germane geh4  
151 SnH4 Stannane snh4  
152 SiH5+ Silane, protonated sih5+  
153 N Nitrogen atom n  
154 N- Nitrogen atom anion n-  
155 N+ Nitrogen atom cation n+  
156 P- Phosphorus atom anion p-  
157 P+ Phosphorus atom cation p+  
158 V Vanadium atom v  
159 V+ Vanadium atom cation v+  
160 As Arsenic atomic as  
161 As- Arsenic anion as-  
162 As+ Arsenic cation as+  
163 Sb Antimony atom sb  
164 NH Imidogen nh  
165 NH- Imidogen anion nh-  
166 NH+ imidogen cation nh+  
167 PH phosphorus monohydride ph  
168 PH- phosphorus monohydride anion ph-  
169 PH+ phosphorus monohydride cation ph+  
170 AsH Arsenic monohydride ash  
171 AsH+ Arsenic monohydride cation ash+  
172 SbH Antimony monohydride sbh  
173 ND2 Amidogen-d2 nd2  
174 NH2 Amino radical nh2  
175 NH2- amino anion nh2-  
176 NH2+ Amino cation nh2+  
177 PH2 Phosphino radical ph2  
178 PH2- Phosphino anion ph2-  
179 PH2+ Phosphino cation ph2+  
180 AsH2 Arsenic dihydride ash2  
181 AsH2+ Arsenic dihydride cation ash2+  
182 ND3 Ammonia-d3 nd3  
183 NH3 Ammonia nh3  
184 NH3- Ammonia anion nh3-  
185 NH3+ ammonia cation nh3+  
186 PH3+ Phosphine cation ph3+  
187 AsH3 Arsine ash3  
188 AsH3+ Arsine cation ash3+  
189 SbH3 Stibine sbh3  
190 AsH4+ Arsonium ash4+  
191 NH4 Ammonium radical nh4  
192 NH4+ ammonium cation nh4+  
193 PH4 Phosphoranyl radical ph4  
194 O Oxygen atom o  
195 O- Oxygen atom anion o-  
196 O+ Oxygen atom cation o+  
197 S- Sulfur atom anion s-  
198 S+ Sulfur atom cation s+  
199 Cr Chromium atom cr  
200 Se Selenium atom se  
201 Se- Selenium atom anion se-  
202 Se+ Selenium atom cation se+  
203 Te Tellurium atom te  
204 Te+ Tellurium atom cation te+  
205 DO Hydroxyl-d od  
206 OH Hydroxyl radical oh  
207 OH- hydroxide anion oh-  
208 OH+ hydoxyl cation oh+  
209 DS Mercapto-d ds  
210 HS- mercapto anion sh-  
211 HS+ sulfur monohydride cation sh+  
212 CrH Chromium hydride crh  
213 CrH+ Chromium hydride cation crh+  
214 HSe Selenium monohydride hse  
215 HSe- selenium monohydride anion hse-  
216 HSe+ selenium monohydride cation hse+  
217 TeH Telluryl radical teh  
218 D2O Deuterium oxide d2o  
219 H2O Water h2o  
220 H2O- water anion h2o-  
221 H2O+ water cation h2o+  
222 HDO Water-d1 hdo  
223 D2S Hydrogen sulfide-d2 d2s  
224 H2S- Hydrogen sulfide anion h2s-  
225 H2Se Hydrogen selenide h2se  
226 H2Se+ Hydrogen selenide cation h2se+  
227 H2Te Hydrogen Telluride h2te  
228 H3O+ hydronium cation h3o+  
229 H3Se+ Hydrogen Selenide, protonated h3se+  
230 F Fluorine atom f  
231 F- Fluorine atom anion f-  
232 F+ Fluorine atom cation f+  
233 Cl Chlorine atom cl  
234 Cl- Chlorine atom anion cl-  
235 Cl+ Chlorine atom cation cl+  
236 Mn Manganese atom mn  
237 Br Bromine atom br  
238 Br- Bromine atom anion br-  
239 Br+ Bromine atom cation br+  
240 I Iodine atom iodine  
241 I- Iodine atom anion iodine-  
242 I+ Iodine atom cation iodine+  
243 DF Hydrofluoric acid-d df  
244 HF Hydrogen fluoride hf  
245 HF- hydrogen fluoride anion hf-  
246 HF+ hydrogen fluoride cation hf+  
247 DCl Hydrochloric acid-d dcl  
248 HCl- hydrogen chloride anion hcl-  
249 HCl+ hydrogen chloride cation hcl+  
250 HBr hydrogen bromide hbr  
251 HBr- hydrogen bromide anion hbr-  
252 HBr+ hydrogen bromide cation hbr+  
253 HI Hydrogen iodide hi  
254 HI+ Hydrogen iodide cation hi+  
255 H2F+ dihydrogen fluoride cation h2f+  
256 H2Cl+ dihydrogen monochloride cation h2cl+  
257 H2Br+ protonated hydrogen bromide h2br+  
258 H2I+ Iodonium h2i+  
259 Ne Neon atom ne  
260 Ne- Neon atom anion ne-  
261 Ne+ Neon atom cation ne+  
262 Ar Argon atom ar  
263 Ar- Argon atom anion ar-  
264 Ar+ Argon atom cation ar+  
265 Fe Iron atom fe  
266 Kr Krypton atom kr  
267 Kr+ Krypton cation kr+  
268 Xe Xenon atom xe  
269 HeLi+ Helium Lithium cation heli+  
270 NeH neon hydrogen neh  
271 NeH+ neon hydrogen cation neh+  
272 ArH+ Argon hydride cation arh+  
273 KrH+ Protonated Krypton krh+  
274 XeH+ Xenon, protonated xeh+  
275 H2Ar H2 Ar dimer h2ar  
276 Co Cobalt atom cobalt  
277 Ni Nickel atom ni  
278 Li2 Lithium diatomic li2  
279 Li2- lithium diatomic anion li2-  
280 Li2+ lithium diatomic cation li2+  
281 NaLi lithium sodium lina  
282 NaLi- lithium sodium anion lina-  
283 NaLi+ lithium sodium cation lina+  
284 LiK Lithium Potassium lik  
285 Na2 Sodium diatomic na2  
286 Na2- sodium diatomic anion na2-  
287 Na2+ sodium diatomic cation na2+  
288 NaK Sodium Potassium nak  
289 NaK+ Sodium Potassium diatomic cation nak+  
290 K2 Potassium diatomic k2  
291 Cu2 Copper diatomic cu2  
292 LiBe Lithium Beryllium libe  
293 LiMg Lithium magnesium limg  
294 NaBe Sodium Beryllium nabe  
295 NaMg Sodium Magnesium namg  
296 Be2 Beryllium diatomic be2  
297 Be2- Beryllium diatomic anion be2-  
298 Be2+ Beryllium diatomic cation be2+  
299 BeMg Beryllium Magnesium bemg  
300 Mg2 Magnesium diatomic mg2  
301 Mg2- magnesium diatomic anion mg2-  
302 Mg2+ magnesium diatomic cation mg2+  
303 Ca2 Calcium diatomic ca2  
304 LiB Lithium boride lib  
305 LiAl Lithium Aluminum lial  
306 NaAl Sodium aluminum naal  
307 BeB Beryllium monoboride beb  
308 B2 Boron diatomic b2  
309 B2- Boron diatomic anion b2-  
310 B2+ Boron diatomic cation b2+  
311 Al2 Aluminum diatomic al2  
312 Al2- aluminum diatomic anion al2-  
313 Al2+ aluminum diatomic cation al2+  
314 BGa Boron Gallium bga  
315 AlGa Aluminum Gallium alga  
316 Ga2 Gallium diatomic ga2  
317 HBBH Diborane(2) hbbh  
318 LiBH4 Lithium borohydride libh4  
319 B2H4 Diborane(4) D2d b2h4  
320 HBHHBH Diborane(4) C2V hbhhbh  
321 B2H6 Diborane b2h6  
322 B2H6+ Diborane cation b2h6  
323 Al2H6 dialane al2h6  
324 Ga2H6 digallane ga2h6  
325 LiC Lithium Carbide lic  
326 BeC Beryllium Carbide bec  
327 CaC Calcium monocarbide cac  
328 BC boron monocarbide bc  
329 BC- boron monocarbide anion bc-  
330 BC+ boron monocarbide cation bc+  
331 BSi Boron silicide bsi  
332 C2 Carbon diatomic c2  
333 C2- carbon diatomic anion c2-  
334 C2+ carbon diatomic cation c2+  
335 SiC silicon monocarbide sic  
336 SiC- silicon monocarbide anion sic-  
337 SiC+ silicon monocarbide cation sic+  
338 Si2 Silicon diatomic si2  
339 Si2- silcon diatomic anion si2-  
340 Si2+ silcon diatomic cation si2+  
341 GeC Germanium monocarbide gec  
342 SiGe Silicon Germanium sige  
343 Ge2 Germanium diatomic ge2  
344 C2H Ethynyl radical c2h  
345 C2H- Ethynyl anion c2h-  
346 C2H+ Ethynyl cation c2h+  
347 ZnCH2 Zinc methylene znch2  
348 C2H2 Acetylene c2h2  
349 C2H2+ acetylene cation c2h2+  
350 CCH2 vinylidene vinylidene  
351 H2CC- vinylidene anion h2cc-  
352 HCCH- acetylene anion c2h2-  
353 Si2H2 disilyne si2h2  
354 CH3Li methyl lithium ch3li  
355 CuCH3 monomethyl copper cuch3  
356 ZnCH3 Zinc monomethyl znch3  
357 CH2BH methyleneborane ch2bh  
358 C2H3 vinyl c2h3  
359 C2H3- vinyl anion c2h3-  
360 C2H3+ vinyl cation c2h3+  
361 C2H4 Ethylene c2h4  
362 C2H4- Ethylene anion c2h4-  
363 C2H4+ Ethylene cation c2h4+  
364 CH3CH methylmethylene ch3ch  
365 CH2SiH2 silaethylene ch2sih2  
366 Si2H4 Disilene si2h4  
367 CH3BH2 methylborane ch3bh2  
368 C2H5 Ethyl radical c2h5  
369 C2H5- Ethyl anion c2h5-  
370 C2H5+ Ethyl cation c2h5+  
371 C2H6 Ethane c2h6  
372 C2H6+ ethane cation c2h6+  
373 CH3SiH3 methyl silane ch3sih3  
374 GeH3CH3 methyl germane geh3ch3  
375 C2H7+ Ethane, protonated c2h7+  
376 LiN Lithium Nitride lin  
377 LiN+ Lithium Nitride cation lin+  
378 LiP Lithium monophosphide lip  
379 BeN Beryllium mononitride ben  
380 BeN- Beryllium mononitride anion ben-  
381 BeN+ Beryllium mononitride cation ben+  
382 MgN Magnesium Nitride mgn  
383 BN- boron nitride anion bn-  
384 AlN- aluminum mononitride anion aln-  
385 AlN+ aluminum mononitride cation aln+  
386 BP Boron monophosphide bp  
387 AlP Aluminum monophosphide alp  
388 GaN Gallium mononitride gan  
389 GaP Gallium monophosphide gap  
390 GaAs Gallium arsenide gaas  
391 BN boron nitride bn  
392 BN+ boron nitride cation bn+  
393 AlN Aluminum nitride aln  
394 CN Cyano radical cn  
395 CN- cyanide anion cn-  
396 CN+ Cyano cation cn+  
397 CP Carbon monophosphide cp  
398 CP- carbon monophosphide anion cp-  
399 CP+ carbon monophosphide cation cp+  
400 SiN Silicon nitride sin  
401 SiN- silicon mononitride anion sin-  
402 SiN+ silicon mononitride cation sin+  
403 SiP Silicon monophosphide sip  
404 SiP- Silicon monophosphide anion sip-  
405 SiP+ Silicon monophosphide cation sip+  
406 TiN Titanium mononitride tin  
407 N2 Nitrogen diatomic n2  
408 N2- nitrogen diatomic anion n2-  
409 N2+ diatomic nitrogen cation n2+  
410 PN Phosphorus mononitride pn  
411 PN- phosphorus nitride anion pn-  
412 PN+ phosphorus nitride cation pn+  
413 P2- phosphorus diatomic anion p2-  
414 P2+ phosphorus diatomic cation p2+  
415 AsN Arsenic mononitride asn  
416 AsP Arsenic monophosphide asp  
417 SbN Antimony nitride sbn  
418 As2 Arsenic diatomic as2  
419 HNB hydrogen nitrogen boron hnb  
420 HNC hydrogen isocyanide hnc  
421 HCN Hydrogen cyanide hcn  
422 HCN- Hydrogen cyanide anion hcn-  
423 HCN+ hydrogen cyanide cation hcn+  
424 HNC+ hydrogen isocyanide cation hnc+  
425 HCP Phosphaethyne hcp  
426 HCP+ Phosphaethyne cation hcp+  
427 NNH Dinitrogen monohydride nnh  
428 NNH+ Dinitrogen monohydride cation nnh+  
429 HPO Hydrogen phosphorus oxide hpo  
430 HPO+ Hydrogen phosphorus oxide cation hpo+  
431 LiNH2 lithium amide linh2  
432 HBNH Boranimine hbnh  
433 CNH2 Aminomethylidyne radical cnh2  
434 CNH2+ N-protonated hydrogen isocyanide cnh2+  
435 H2CN Dihydrogen cyanide radical h2cn  
436 H2CN+ hydrocyanonium cation h2cn+  
437 HCNH methyleneazane hcnh  
438 HCNH+ N-protonated HCN hcnh+  
439 H2NN Isodiazene h2nn  
440 N2H2 (E)-diazene n2h2  
441 N2H2 (Z)-Diazene n2h2z  
442 N2H2+ trans-diazene cation n2h2+  
443 CH2NH Methanimine ch3n  
444 CH2NH+ Methanimine cation ch2nh+  
445 CHNH2 aminomethylene chnh2  
446 CHNH2+ Aminocarbene cation chnh2+  
447 BH2NH2 Boranamine bh2nh2  
448 CH2NH2+ methyleneamine cation ch2nh2+  
449 N2H4 Hydrazine n2h4  
450 N2H4+ hydrazine cation n2h4+  
451 P2H4 Diphosphine p2h4  
452 CH3NH2 methyl amine ch3nh2  
453 CH3NH2+ methyl amine cation ch3nh2+  
454 CH3PH2 Methyl phosphine ch3ph2  
455 SiH3NH2 Silane, amino sih3nh2  
456 N2H5+ protonated hydrazine n2h5+  
457 BH3PH3 borane phosphine bh3ph3  
458 BH3NH3 borane ammonia bh3nh3  
459 CH3NH3 methyl ammonium radical ch3nh3  
460 CH3NH3+ protonated methylamine ch3nh3+  
461 CH3PH3+ methyl phosphine, protonated ch3ph3+  
462 NH3NH3 Ammonia Dimer nh3nh3  
463 N2H7+ ammonia ammonium dimer n2h7+  
464 LiO lithium oxide lio  
465 LiO- lithium oxide anion lio-  
466 LiO+ lithium oxide cation lio+  
467 NaO sodium monoxide nao  
468 NaO- sodium oxide anion nao-  
469 NaO+ sodium oxide cation nao+  
470 KO Potassium monoxide ko  
471 KO+ Potassium monoxide cation ko+  
472 CuO Copper Monoxide cuo  
473 LiSe Lithium monoselenide lise  
474 BeO beryllium oxide beo  
475 BeO- Beryllium monoxide anion beo-  
476 BeO+ Beryllium monoxide cation beo+  
477 BeS beryllium sulfide bes  
478 MgO magnesium oxide mgo  
479 MgO- magnesium oxide anion mgo-  
480 MgO+ magnesium oxide cation mgo+  
481 CaO Calcium monoxide cao  
482 MgS magnesium sulfide mgs  
483 MgS- magnesium sulfide anion mgs-  
484 MgS+ magnesium sulfide cation mgs+  
485 CaS Calcium sulfide cas  
486 ZnO zinc monoxide zno  
487 ZnS Zinc sulfide zns  
488 BeS- Beryllium monosulfide anion bes-  
489 BeS+ Beryllium monosulfide cation bes+  
490 BO boron monoxide bo  
491 BO- boron monoxide anion bo-  
492 AlO Aluminum monoxide alo  
493 AlO- Aluminum monoxide anion alo-  
494 AlO+ aluminum monoxide cation alo+  
495 BS boron sulfide bs  
496 BS- boron monosulfide anion bs-  
497 BS+ boron monosulfide cation bs+  
498 AlS Aluminum sulfide als  
499 AlS- aluminum monosulfide anion als-  
500 AlS+ aluminum monosulfide cation als+  
501 ScO Scandium monoxide sco  
502 GaO Gallium monoxide gao  
503 GaS Gallium monosulfide gas  
504 BO+ boron monoxide cation bo+  
505 CO Carbon monoxide co  
506 CO- carbon monoxide anion co-  
507 CO+ carbon monoxide cation co+  
508 CS carbon monosulfide cs  
509 CS- carbon monosulfide anion cs-  
510 CS+ carbon monosulfide cation cs+  
511 SiO- silicon monoxide anion sio-  
512 SiO+ silicon monoxide cation sio+  
513 SiS- silicon monosulfide anion sis-  
514 SiS+ silicon monosulfide cation sis+  
515 TiO Titanium monoxide tio  
516 CSe Carbon monoselenide cse  
517 CSe- Carbon monoselenide anion cse-  
518 CSe+ Carbon monoselenide cation cse+  
519 GeO+ Germanium monoxide cation geo+  
520 GeS Germanium monosulfide ges  
521 SiSe Silicon Monoselenide sise  
522 SiSe+ Silicon Monoselenide cation sise+  
523 GeSe Germanium monoselenide gese  
524 NO Nitric oxide no  
525 NO- nitric oxide anion no-  
526 NO+ nitric oxide cation no+  
527 NS- nitrogen sulfide anion ns-  
528 NS+ nitrogen sulfide cation ns+  
529 PO- phosphorus monoxide anion po-  
530 PO+ phosphorus monoxide cation po+  
531 PS- phosphorus monosulfide anion ps-  
532 PS+ phosphorus monosulfide cation ps+  
533 VO Vanadium monoxide vo  
534 AsO Arsenic monoxide aso  
535 NSe Nitrogen monoselenide nse  
536 AsS Arsenic monosulfide ass  
537 PSe Phosphorus monoselenide pse  
538 AsSe Arsenic monoselenide asse  
539 O2 Oxygen diatomic o2  
540 O2- oxygen diatomic anion o2-  
541 O2-- dioxygen dianion o2--  
542 O2+ diatomic oxygen cation o2+  
543 SO- sulfur monoxide anion so-  
544 SO+ sulfur monoxide cation so+  
545 S2 Sulfur diatomic s2  
546 S2- sulfur diatomic anion s2-  
547 S2+ sulfur diatomic cation s2+  
548 SeO Selenium monoxide seo  
549 SeO- selenium monoxide anion seo-  
550 SeO+ selenium monoxide cation seo+  
551 SeS Selenium monosulfide ses  
552 SeS- selenium monosulfide anion ses-  
553 SeS+ selenium monosulfide cation ses+  
554 TeO Tellurium monoxide teo  
555 Se2 Selenium diatomic se2  
556 Se2- selenium diatomic anion se2-  
557 Se2+ selenium diatomic cation se2+  
558 Te2 Tellurium diatomic te2  
559 LiOH lithium hydroxide lioh  
560 NaOH sodium hydroxide naoh  
561 KOH Potassium hydroxide koh  
562 BeOH beryllium monohydroxide beoh  
563 MgOH magnesium hydroxide mgoh  
564 CaOH Calcium monohydroxide caoh  
565 HBO Boron hydride oxide hbo  
566 COH Hydroxymethylidyne coh  
567 COH+ Carbon Monoxide, protonated coh+  
568 HCO Formyl radical hco  
569 HCO- formyl anion hco-  
570 HCO+ Formyl cation hco+  
571 HCS Thioformyl radical hcs  
572 HCS- Thioformyl anion hcs-  
573 HCS+ Thioformyl cation hcs+  
574 HNO Nitrosyl hydride hno  
575 HNO- Nitrosyl hydride anion hno-  
576 HNO+ Nitrosyl hydride cation hno+  
577 NOH Hydroxyimidogen noh  
578 NOH+ O-protonated nitric oxide noh+  
579 HNS Sulfur imide hns  
580 HNS- Sulfur imide anion hns-  
581 HO2 Hydroperoxy radical ho2  
582 HO2- Hydroperoxy anion ho2-  
583 HO2+ Hydroperoxy cation ho2+  
584 HSO+ Sulfur Monoxide, S-protonated HSO+  
585 SOH Sulfur Hydroxide soh  
586 SOH+ Sulfur Monoxide, protonated soh+  
587 HS2 Thiosulfeno radical hs2  
588 H2CO Formaldehyde h2co  
589 H2CO- formaldehyde anion h2co-  
590 H2CO+ formaldehyde cation h2co+  
591 HOCH hydroxycarbene hoch  
592 H2CS- thioformaldehyde anion h2cs-  
593 H2CS+ thioformaldehyde cation h2cs+  
594 H2CSe Selenoformaldehyde h2cse  
595 H2NO nitroxide h2no  
596 H2O2 Hydrogen peroxide h2o2  
597 H2O2+ Hydrogen peroxide cation h2o2+  
598 H2OO water oxide h2oo  
599 HOSH hydrogen thioperoxide hosh  
600 H2Se2 hydrogen diselenide h2se2  
601 CH2OH Hydroxymethyl radical ch2oh  
602 CH2OH+ hydroxymethyl cation ch2oh+  
603 CH3O Methoxy radical ch3o  
604 CH3O- methoxy anion ch3o-  
605 CH3O+ Methoxy cation ch3o+  
606 CH3S thiomethoxy ch3s  
607 H2CSH+ Thioformaldehyde, protonated h2csh+  
608 NH2OH hydroxylamine nh2oh  
609 NH2OH+ Hydroxylamine cation nh2oh+  
610 NH3O Ammonia Oxide nh3o  
611 H2POH Phosphinous acid h2poh  
612 NH2SH Thiohydroxylamine nh2sh  
613 NH3S sulfidoazane nh3s  
614 H3O2+ hydrogen peroxide, protonated h3o2+  
615 CH3OH Methyl alcohol ch3oh  
616 CH3OH- Methyl alcohol anion ch3oh-  
617 CH3OH+ Methyl alcohol cation ch3oh+  
618 CH3SH+ Methanethiol cation ch3sh+  
619 SiH3OH silanol sih3oh  
620 CH3SeH Methane selenol ch3seh  
621 NH2OH2+ protonated hydroxylamine nh2oh2+  
622 NH3OH+ N-protonated hydroxylamine nh3oh+  
623 H2OH2O water dimer h2oh2o  
624 CH3OH2+ Methanol, protonated ch3oh2+  
625 H2ONH3 Water Ammonia Dimer h2onh3  
626 H5O2+ Dihydroxonium ion h5o2+  
627 LiF lithium fluoride lif  
628 LiCl- lithium chloride anion licl-  
629 LiCl+ lithium chloride cation licl+  
630 NaF sodium fluoride naf  
631 NaF- sodium fluoride anion naf-  
632 NaF+ sodium fluoride cation naf+  
633 KF Potassium Fluoride kf  
634 NaCl Sodium Chloride nacl  
635 NaCl- sodium chloride anion nacl-  
636 NaCl+ sodium chloride cation nacl+  
637 KCl Potassium Chloride kcl  
638 CuF Copper monofluoride cuf  
639 LiBr Lithium Bromide libr  
640 LiBr- lithium bromide anion libr-  
641 LiBr+ lithium bromide cation libr+  
642 CuCl Copper monochloride cucl  
643 NaBr Sodium Bromide nabr  
644 NaBr- sodium bromide anion nabr-  
645 NaBr+ sodium bromide cation nabr+  
646 KBr Potassium Bromide kbr  
647 LiI Lithium Iodide lii  
648 NaI Sodium Iodide nai  
649 KI Potassium Iodide ki  
650 LiF- lithium fluoride anion lif-  
651 LiF+ lithium fluoride cation lif+  
652 BeF Beryllium monofluoride bef  
653 BeF- Beryllium monofluoride anion bef-  
654 BeF+ Beryllium monofluoride cation bef+  
655 BeCl beryllium monochloride becl  
656 MgF Magnesium monofluoride mgf  
657 MgF- magnesium fluoride anion mgf-  
658 MgF+ magnesium fluoride cation mgf+  
659 CaF Calcium monofluoride caf  
660 MgCl magnesium monochloride mgcl  
661 MgCl- magnesium monochloride anion mgcl-  
662 MgCl+ magnesium monochloride cation mgcl+  
663 CaCl calcium monochloride cacl  
664 TiCl Titanium Monochloride ticl  
665 ZnF Zinc monofluoride znf  
666 ZnF- Zinc monofluoride anion znf-  
667 ZnF+ Zinc monofluoride cation znf+  
668 ZnCl Zinc monochloride zncl  
669 CaBr Calcium monobromide cabr  
670 BeCl- beryllium monochloride anion becl-  
671 BeCl+ beryllium monochloride cation becl+  
672 BF Boron monofluoride bf  
673 BF- Boron monofluoride anion bf-  
674 BF+ Boron monofluoride cation bf+  
675 AlF- Aluminum monofluoride anion alf-  
676 AlF+ Aluminum monofluoride cation alf+  
677 BCl boron monochloride bcl  
678 BCl- boron monochloride anion bcl-  
679 BCl+ boron monochloride cation bcl+  
680 AlCl- aluminum monochloride anion alcl-  
681 AlCl+ aluminum monochloride cation alcl+  
682 ScF Scandium monofluoride scf  
683 BBr Boron monobromide bbr  
684 GaF Gallium monofluoride gaf  
685 GaF+ Gallium monofluoride cation gaf+  
686 AlBr Aluminum monobromide albr  
687 GaCl Gallium monochloride gacl  
688 GaCl+ Gallium monochloride cation gacl+  
689 AlI Aluminum monoiodide ali  
690 GaBr Gallium monobromide gabr  
691 CF Fluoromethylidyne cf  
692 CF- carbon monofluoride anion cf-  
693 CF+ carbon monofluoride cation cf+  
694 CCl carbon monochloride ccl  
695 CCl- carbon monochloride anion ccl-  
696 CCl+ carbon monochloride cation ccl+  
697 SiF silicon monofluoride sif  
698 SiF- silicon monofluoride anion sif-  
699 SiF+ silicon monofluoride cation sif+  
700 SiCl Clorosilylidyne sicl  
701 SiCl- silicon monochloride anion sicl-  
702 SiCl+ silicon monochloride cation sicl+  
703 CBr Carbon monobromide cbr  
704 GeF Germanium monofluoride gef  
705 GeF+ Germanium monofluoride cation gef+  
706 GeCl Germanium monochloride gecl  
707 SiBr Silicon monobromide sibr  
708 SiBr+ Silicon monobromide cation sibr+  
709 NF nitrogen fluoride nf  
710 NF- nitrogen monofluorine anion nf-  
711 NF+ nitrogen monofluoirde cation nf+  
712 NCl- nitrogen monochloride anion ncl-  
713 NCl+ nitrogen monochloride cation ncl+  
714 PF phosphorus monofluoride pf  
715 PF- phosphorus monofluoride anion pf-  
716 PF+ phosphorus monofluoride cation pf+  
717 PCl phosphorus chloride pcl  
718 PCl- phosphorus monochloride anion pcl-  
719 PCl+ phosphorus monochloride cation pcl+  
720 AsF Arsenic monofluoride asf  
721 NBr nitrogen monobromide nbr  
722 AsCl Arsenic monochloride ascl  
723 PBr Phosphorus monobromide pbr  
724 SbF Antimony monofluoride sbf  
725 SbCl Antimony monochloride sbcl  
726 FO Oxygen monofluoride fo  
727 FO- flourine oxide anion fo-  
728 FO+ fluorine monoxide cation fo+  
729 ClO Monochlorine monoxide clo  
730 ClO- chlorine monoxide anion clo-  
731 ClO+ chlorine monoxide cation clo+  
732 SF- sulfur monofluoride anion sf-  
733 SF+ sulfur monofluoride cation sf+  
734 SCl- sulfur monochloride anion scl-  
735 BrO Bromine monoxide bro  
736 BrO- Bromine monoxide anion bro-  
737 BrO+ Bromine monoxide cation bro+  
738 SeF Selenium monofluoride sef  
739 SBr Sulfur monobromide radical sbr  
740 SBr+ Sulfur monobromide cation sbr+  
741 SeCl Selenium monochloride secl  
742 IO Iodine monoxide io  
743 SeBr Selenium monobromide sebr  
744 BrCl Bromine monochloride brcl  
745 F2 Fluorine diatomic f2  
746 F2- flourine diatomic anion f2-  
747 F2+ flourine diatomic cation f2+  
748 ClF Chlorine monofluoride clf  
749 ClF- clorine monofluoride anion clf-  
750 ClF+ clorine monofluoride cation clf+  
751 Cl2 Chlorine diatomic cl2  
752 BrF Bromine monofluoride brf  
753 BrF- bromine fluoride anion brf-  
754 BrF+ bromine fluoride cation brf+  
755 BrCl- bromine chloride anion brcl-  
756 BrCl+ bromine chloride cation brcl+  
757 IF Iodine monofluoride if  
758 Br2 Bromine diatomic br2  
759 Br2- bromine diatomic anion br2-  
760 Br2+ bromine diatomic cation br2+  
761 ICl Iodine monochloride icl  
762 IBr Iodine monobromide ibr  
763 I2 Iodine diatomic i2  
764 I2+ Iodine diatomic cation i2+  
765 HCF Fluoromethylene hcf  
766 HCCl Chloromethylene hccl  
767 HSiF fluorosilylene hsif  
768 HSiCl Chlorosilylene hsicl  
769 HSiBr monobromosilylene hsibr  
770 CHBr bromomethylene chbr  
771 HOF Hypofluorous acid hfo  
772 DOCl Hypochlorous acid-d docl  
773 HOCl hypochlorous acid hocl  
774 HOCl+ hypochlorous acid cation hocl+  
775 HOBr Hypobromous acid hobr  
776 HOBr+ Hypobromous acid cation hobr+  
777 HOI Hypoiodous acid hoi  
778 F2H+ Fluorine, protonated f2h+  
779 FHF Hydrogen difluoride fhf  
780 FHF- Hydrogen difluoride anion fhf-  
781 ClFH+ Chlorine fluoride, F-protonated clfh+  
782 FClH+ Chlorine fluoride, Cl-protonated fclh+  
783 Cl2H+ Chlorine, protonated cl2h+  
784 CH2Br bromomethyl radical ch2br  
785 CH2F fluoromethyl radical ch2f  
786 CH2F+ fluoromethyl cation ch2f+  
787 CH2Cl+ chloromethyl cation ch2cl+  
788 CH2Cl chloromethyl radical ch2cl  
789 NH2F monofluoroamine nh2f  
790 NH2Cl chloramine nh2cl  
791 H2F2 Hydrogen fluoride dimer h2f2  
792 CH3F+ methyl fluoride cation ch3f+  
793 CD3F methylfluoride-d3 cd3f  
794 CH3F Methyl fluoride ch3f  
795 CD3Cl methyl chloride d3 cd3cl  
796 CH3Cl+ Methyl chloride cation ch3cl+  
797 CH3Br methyl bromide ch3br  
798 GeH3F monofluorogermane geh3f  
799 GeH3Cl monochlorogermane geh3cl  
800 SiH3Br bromosilane sih3br  
801 CH3I methyl iodide ch3i  
802 SiH3I Silyl Iodide sih3i  
803 NH3Cl+ protonated monochloroammonia nh3cl+  
804 CH3ClH+ methyl chloride, protonated ch3clh+  
805 NH4Cl Ammonium chloride nh4cl  
806 LiNe+ Lithium Neon cation line+  
807 Ne2 Neon diatomic ne2  
808 Ne2+ Neon diatomic cation ne2+  
809 Ar2 Argon diatomic ar2  
810 Ar2+ Argon diatomic cation ar2+  
811 Li3 Lithium trimer li3  
812 Li3+ Lithium trimer cation li3+  
813 C3 carbon trimer c3  
814 C3+ carbon trimer cation c3+  
815 SiC2 Silicon dicarbide sic2  
816 C3H3 cyclopropenyl radical cpr  
817 C3H3 Propargyl radical propargyl  
818 C3H3- Propargyl anion c3h3-  
819 C3H3+ cyclopropenyl cation cpr+  
820 C3H3+ Propargyl cation c3h3+  
821 C3H4 cyclopropene cprop  
822 CH2CCH2 allene allene  
823 CH3CCH propyne propyne  
824 C3H5 Allyl radical allyl  
825 C3H5+ Allyl cation allyl+  
826 CH3CHCH 1-propenyl radical ch3chch  
827 Zn(CH3)2 dimethyl zinc dmz  
828 C3H6 Cyclopropane c3h6  
829 CH2CHCH3 Propene propene  
830 C3H7 n-Propyl radical npropyl  
831 C3H7+ cyclopropane, protonated c3h7+  
832 CH3CHCH3 Isopropyl radical isopropyl  
833 CH3CHCH3+ Isopropyl cation prop2yl+  
834 C3H8 Propane propane  
835 SiH2(CH3)2 dimethylsilane dms  
836 LiCN lithium cyanide licn  
837 NaCN Sodium Cyanide nacn  
838 KCN Potassium cyanide kcn  
839 CuCN Copper cyanide cucn  
840 ZnCN Zinc monocyanide zncn  
841 ZnNC Zinc isocyanide znnc  
842 AlCN Aluminum monocyanide alcn  
843 AlNC Aluminum isocyanide alnc  
844 CN2 3H-Diazirin-3-ylidene cn2  
845 CNN Diazocarbene cnn  
846 NCN Cyanoimidogen ncn  
847 N3 azide radical n3  
848 N3- azide anion n3-  
849 N3+ azide cation n3+  
850 HCCN cyanomethylene hccn  
851 HCNN diazomethyl radical hcnn  
852 HN3 hydrogen azide hn3  
853 HN3+ Hydrazoic acid cation hn3+  
854 HNCNH diiminomethane hncnh  
855 CH2N2 diazirine ch2n2  
856 CH2NN diazomethane ch2nn  
857 NH2CN cyanamide cyanamide  
858 HNNNH+ 1,2-Triazadienium n2h3+  
859 NH2NN+ hydrazoic acid, protonated nh2nn+  
860 CH3CN Acetonitrile ch3cn  
861 CH3CN- acetonitrile anion ch3cn-  
862 CH3CN+ Acetonitrile cation ch3cn+  
863 CH3NC methyl isocyanide ch3nc  
864 CHNCH2 2H-Azirine c157164  
865 CHNHCH 1H-Azirine chnhch  
866 H2CCNH Ethenimine ch2cnh  
867 H2CNCH methyleneaminomethylene ch2nch  
868 HCCNH2 Ethynamine hccnh2  
869 HCNCH2+ 2H-Azirine cation hcnch2+  
870 HNCNH2+ diiminomethane, protonated hncnh2+  
871 NCNH3+ Cyanamide, protonated ncnh3+  
872 NH2CNH+ cyanamide, cn protonated nh2cnh+  
873 NH3CN+ cyanamide, amine protonated nh3cn+  
874 CH2CHNH vinylazine ch2chnh  
875 CH3CHN methylmethaniminyl radical ch3chn  
876 NHCHNH2 aminomethanimine cn2h4  
877 C2H5N Aziridine c2h5n  
878 CH2CHNH2 aminoethene aminoethene  
879 CH2NCH3 N-methylmethanimine nmm  
880 CH3CHNH ethanimine ethanimine  
881 NH2BHNH2 diaminoborane nh2bhnh2  
882 C2H5NH+ Protonated Aziridine c2h5nh+  
883 C2H6N+ aziridine, protonated c2h6n+  
884 NH2CH2NH2 diaminomethane nh2ch2nh2  
885 CH3CH2NH2 Ethylamine etam  
886 CH3NHCH3 Dimethylamine ch3nhch3  
887 CH3PHCH3 dimethylphosphine ch3phch3  
888 NH2CH2NH3+ diaminoethane, protonated pdam  
889 (CH3)2NH2+ dimethylammonium cation dmam  
890 CH3CH2NH3+ ethylamine, protonated pea  
891 Li2O dilithium oxide li2o  
892 Li2O+ dilithium oxide cation li2o+  
893 Na2O disodium monoxide na2o  
894 LiO2 Lithium dioxide lio2  
895 NaO2 Sodium superoxide nao2  
896 CCO Dicarbon monoxide cco  
897 CNO- fulminate cno-  
898 NCO isocyanato radical nco  
899 NCO- cyanate nco-  
900 SCN thiocyanato radical scn  
901 SCN- thiocyanide anion scn-  
902 BO2 Boron dioxide bo2  
903 BO2- Boron dioxide anion bo2-  
904 BO2+ Boron dioxide cation bo2+  
905 N2O Nitrous oxide n2o  
906 N2O- Nitrous oxide anion n2o-  
907 N2O+ Nitrous oxide cation n2o+  
908 NNS Nitrogen sulfide nns  
909 PPO Phosphorus oxide phosphide ppo  
910 CO2 Carbon dioxide co2  
911 CO2- Carbon dioxide anion co2-  
912 CO2+ Carbon dioxide cation co2+  
913 OCS+ Carbonyl sulfide cation cos+  
914 SiO2 silicon dioxide sio2  
915 CS2 Carbon disulfide cs2  
916 CS2- Carbon disulfide anion cs2-  
917 CS2+ Carbon disulfide cation cs2+  
918 TiO2 Titanium dioxide tio2  
919 SiS2 Silicon disulfide sis2  
920 GeO2 Germanium dioxide geo2  
921 OCSe Carbonyl selenide ocse  
922 SCSe Carbon sulfide selenide scse  
923 GeS2 Germanium disulfide ges2  
924 CSe2 Carbon diselenide cse2  
925 SCTe Carbon sulfide Telluride scte  
926 NO2 Nitrogen dioxide no2  
927 NO2- Nitrogen dioxide anion no2-  
928 NO2+ Nitrogen dioxide cation no2+  
929 NSO sulfinyl amidogen NSO  
930 PO2 Phosphorus dioxide po2  
931 PO2- Phosphorus dioxide anion po2-  
932 PO2+ Phosphorus dioxide cation po2+  
933 SNO Nitrogen oxide sulfide sno  
934 AsO2 Aresenic dioxide aso2  
935 O3 Ozone o3  
936 O3- Ozone anion o3-  
937 O3+ Ozone cation o3+  
938 SO2- Sulfur dioxide anion so2-  
939 SO2+ Sulfur dioxide cation so2+  
940 SSO Disulfur monoxide sso  
941 S3 Sulfur trimer s3  
942 S3- Sulfur trimer anion s3-  
943 SeO2 Selenium dioxide seo2  
944 SeO2+ Selenium dioxide cation seo2+  
945 TeO2 Tellurium Dioxide teo2  
946 HCCO ketenyl radical ketenyl  
947 CS2H+ Carbon disulfide, protonated cs2h+  
948 HCNO fulminic acid hcno  
949 HNCO Isocyanic acid hnco  
950 HOCN cyanic acid hocn  
951 HNCS Isothiocyanic acid hncs  
952 HSCN thiocyanic acid hscn  
953 HCO2- formate anion hco2-  
954 HNNO nitrosoazane hnno  
955 HNNO+ Nitrous oxide, N-protonated hnno+  
956 NNOH+ Nitrous Oxide, O-protonated nnoh+  
957 HCOO formate neutral radical hcoo  
958 HOCO Hydrocarboxyl radical hoco  
959 HOCO+ Hydrocarboxyl cation hoco+  
960 HNO2 Nitrous acid hno2  
961 HNO2+ nitrous acid cation hno2+  
962 O3H+ protonated ozone o3h+  
963 SO2H+ protonated sulfur dioxide so2h+  
964 C2H2O Oxirene oxirene  
965 CH2CO Ketene ch2co  
966 CH2CO+ Ketene cation ch2co+  
967 HCCOH ethynol hccoh  
968 Be(OH)2 Beryllium hydroxide beo2h2  
969 Mg(OH)2 Magnesium dihydroxide h2mgo2  
970 NH2NO Nitrosamide nh2no  
971 CH2O2 Dioxirane diox  
972 H2COO Dioxymethyl radical h2coo  
973 H2COO+ dioxymethyl cation h2coo+  
974 HCOOH Formic acid ch2o2  
975 H2O3 Hydrogen trioxide h2o3  
976 HSSSH trisulfane hsssh  
977 NaOCH3 Sodium methoxide naoch3  
978 CH2BOH hydroxy(methylene)borane ch2boh  
979 BH3CO Borane carbonyl bh3co  
980 CH3BO Borane, methyloxo- ch3bo  
981 CH2CHO Vinyloxy radical ch2cho  
982 CH2COH+ ketene, protonated ch2coh+  
983 CH3CO Acetyl radical ch3co  
984 CH3CO- Acetyl anion ch3co-  
985 CH3CO+ acetyl cation ch3co+  
986 CH2NOH formaldoxime ch2noh  
987 CH3NO nitrosomethane ch3no  
988 CHONH2 formamide formamide  
989 CNOH3 1,2-oxaziridine cnoh3  
990 HOCHNH hydroxymethylimine hochnh  
991 CHSNH2 thioformamide chsnh2  
992 NHCHSH Methanimidothioic acid nhchsh  
993 CH2OOH CH2OOH radical ch2ooh  
994 CH3OO methylperoxy radical ch3oo  
995 CH3OO- methylperoxy anion ch3oo-  
996 CH3OO+ methylperoxy cation ch3oo+  
997 C2H4O Ethylene oxide c2h4o  
998 C2H4O+ ethylene oxide cation c2h4o+  
999 CH2CHOH ethenol ch2choh  
1000 CH3CHO Acetaldehyde ch3cho  
1001 CH3CHO+ acetaldehyde cation ch3cho+  
1002 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1003 C2H4S Thiirane thiirane  
1004 CH2CHSH Ethenethiol ch2chsh  
1005 CH3CHS Thioacetaldehyde ch3chs  
1006 H2CONH2+ protonated formamide h2conh2+  
1007 NH2CHOH+ Formamide, O-protonated nh2choh+  
1008 NH3CHO+ Formamide, N-Protonated nh3cho+  
1009 CH2(OH)2 methanediol ch2o2h2  
1010 CH3OOH Methyl peroxide ch3ooh  
1011 CH3SSH Hydrogen methyl disulfide ch3ssh  
1012 HSCH2SH Methanedithiol ch4s2  
1013 H2OH2CO water formaldehyde dimer h2oh2co  
1014 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1015 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1016 CH3CH2O Ethoxy radical ethoxy  
1017 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1018 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1019 CH3OCH2 methoxymethyl radical ch3och2  
1020 NH2CH2OH aminomethanol nh2ch2oh  
1021 CH3CH2OH Ethanol etoh  
1022 CH3OCH3 Dimethyl ether meome  
1023 CH3CH2SH ethanethiol etsh  
1024 CH3SCH3 Dimethyl sulfide mesme  
1025 CH3SCH3+ dimethyl sulfide cation mesme+  
1026 CH3SeCH3 dimethylselenide dmse  
1027 CH3OHH2O methanol water dimer ch3ohh2o  
1028 H2OCH3OH water methanol dimer h2och3oh  
1029 CuF2 Copper difluoride cuf2  
1030 ZnF2 Zinc difluoride znf2  
1031 CNF iso cyanogen fluoride cnf  
1032 FCN Cyanogen fluoride fcn  
1033 ClCN chlorocyanogen clcn  
1034 BrCN Cyanogen bromide brcn  
1035 ICN Cyanogen iodide icn  
1036 FBO Boron monofluoride monoxide fbo  
1037 BeF2 Beryllium fluoride bef2  
1038 MgF2 Magnesium fluoride mgf2  
1039 BeCl2 Beryllium chloride becl2  
1040 MgCl2 Magnesium dichloride mgcl2  
1041 CaCl2 Calcium Chloride cacl2  
1042 ZnCl2 Zinc dichloride zncl2  
1043 BeBr2 Beryllium bromide bebr2  
1044 CaBr2 Calcium dibromide cabr2  
1045 CaF2 Calcium difluoride caf2  
1046 FCO Carbonyl fluoride fco  
1047 FCO+ Carbonyl fluoride cation fco+  
1048 ClCO carbonyl monochloride clco  
1049 BF2 Boron difluoride radical bf2  
1050 FNO Nitrosyl fluoride fno  
1051 FNS Thionitrosyl fluoride fns  
1052 FSN Thiazyl fluoride fsn  
1053 BrNO Nitrosyl bromide brno  
1054 INO Nitrosyl iodide ino  
1055 CF2 Difluoromethylene cf2  
1056 CF2- Difluoromethylene anion cf2-  
1057 CF2+ Difluoromethylene cation cf2+  
1058 CFCl chlorofluoromethylene cfcl  
1059 SiF2+ Silicon difluoride cation sif2+  
1060 CCl2 dichloromethylene ccl2  
1061 CCl2- dichloromethylene anion ccl2-  
1062 CCl2+ dichloromethylene cation ccl2+  
1063 SiCl2 Dichlorosilylene sicl2  
1064 GeF2 Germanium difluoride gef2  
1065 GeCl2 Germanium dichloride gecl2  
1066 CBr2 dibromomethylene cbr2  
1067 FOO Dioxygen monofluoride radical foo  
1068 FOO+ Fluorine dioxide cation foo+  
1069 ClOO chloroperoxy radical cloo  
1070 ClOO+ chloroperoxy cation cloo+  
1071 OClO- Chlorine dioxide anion oclo-  
1072 OClO+ Chlorine dioxide cation oclo+  
1073 ClS2 Sulfur chloride cls2  
1074 BrOO Bromine dioxide broo  
1075 OBrO Bromine dioxide radical obro  
1076 NF2 Difluoroamino radical nf2  
1077 NF2+ Difluoroamino cation nf2+  
1078 PF2 Phosphorus difluoride pf2  
1079 PF2+ Phosphorus difluoride cation pf2+  
1080 F2O Difluorine monoxide f2o  
1081 SF2- sulfur difluoride anion sf2-  
1082 SF2+ sulfur difluoride cation sf2+  
1083 Cl2O Dichlorine monoxide cl2o  
1084 SeF2 Selenium difluoride sef2  
1085 BrOCl Bromine hypochlorite brocl  
1086 SeCl2 Selenium Dichloride secl2  
1087 SBr2 Sulfur dibromide sbr2  
1088 SeBr2 Selenium dibromide sebr2  
1089 BrOBr Bromine oxide brobr  
1090 F3- trifluoride anion f3-  
1091 Cl3- trichloride anion cl3-  
1092 Br3- tribromide anion br3-  
1093 I3- triiodide i3-  
1094 SFCl Sulfur chloride fluoride sfcl  
1095 HCCF Fluoroacetylene hccf  
1096 HCCF+ fluoroacetylene cation hccf+  
1097 HCCCl Chloroacetylene hcccl  
1098 HCCBr bromoacetylene hccbr  
1099 HFCO formyl fluoride hfco  
1100 HFCO+ formyl fluoride cation hfco+  
1101 COHCl Formyl chloride cohcl  
1102 COHBr Formyl bromide cohbr  
1103 BHF2 Difluoroborane bhf2  
1104 BHCl2 Borane, dichloro- bhcl2  
1105 CHCl2 dichloromethyl radical chcl2  
1106 CHF2 difluoromethyl radical chf2  
1107 CHF2+ difluoromethyl cation chf2+  
1108 CHFCl Chlorofluoromethyl radical chfcl  
1109 CHFCl+ Chlorofluoromethyl cation chfcl+  
1110 CHCl2+ dichloromethyl cation chcl2+  
1111 CHBr2 dibromomethyl radical chbr2  
1112 HOClO Chlorous acid hoclo  
1113 NHF2 difluoramine nhf2  
1114 NHCl2 dichloroamine nhcl2  
1115 CH2F2 Methane, difluoro- ch2f2  
1116 CH2FCl fluorochloromethane ch2fcl  
1117 CH2Cl2 Methylene chloride ch2cl2  
1118 CH2BrF Methane, bromofluoro- ch2fbr  
1119 CH2BrCl Methane, bromochloro- ch2clbr  
1120 CH2FI fluoroiodomethane ch2fi  
1121 CH2Br2 dibromomethane ch2br2  
1122 CH2ClI chloroiodomethane ch2cli  
1123 CH2BrI bromoiodomethane ch2bri  
1124 CH2I2 Diiodomethane ch2i2  
1125 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1126 CH2CHF Ethene, fluoro- ch2chf  
1127 CH2CHF+ fluoroethene cation ch2chf+  
1128 C2H3Cl Ethene, chloro- ch2chcl  
1129 C2H3Br vinyl bromide c2h3br  
1130 C2H3I Vinyl iodide c2h3i  
1131 CH2FOH fluoromethanol ch2foh  
1132 CH3OCl methyl hypochlorite ch3ocl  
1133 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1134 CHClCH3 1-chloroethyl radical chclch3  
1135 C2H5F fluoroethane c2h5f  
1136 CH3CH2Cl Ethyl chloride c2h5cl  
1137 CH3SiFH2 fluoromethylsilane ch3sifh2  
1138 C2H5Br Ethyl bromide etbr  
1139 C2H5I Ethyl iodide c2h5i  
1140 KrF2 Krypton difluoride krf2  
1141 XeF2 Xenon difluoride xef2  
1142 B4H10 Tetraborane(10) b4h10  
1143 C4 Carbon tetramer c4  
1144 C4+ Carbon tetramer cation c4+  
1145 C4H2 Diacetylene c4h2  
1146 C4H2+ diacetlyene cation c4h2+  
1147 C2H3CCH 1-Buten-3-yne c2h3cch  
1148 C4H4 cyclobutadiene cbd  
1149 C4H4 Tetrahedrane c4h4  
1150 H2CCCCH2 Butatriene h2cccch2  
1151 C4H6 1-Methylcyclopropene c3100047  
1152 C4H6 Cyclobutene c822355  
1153 C4H6 Methylenecyclopropane c6142730  
1154 CH2CCHCH3 1,2-Butadiene butad12  
1155 CH2CHCHCH2 1,3-Butadiene c106990  
1156 CH3CCCH3 2-Butyne c503173  
1157 CHCCH2CH3 1-Butyne c107006  
1158 CH3CHCHCH2 methylallyl radical c4h7  
1159 C4H8 methylcyclopropane mcp  
1160 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1161 CH2CHCH2CH3 1-Butene bute1  
1162 CH3CHCHCH3 2-Butene, (E)- bute2e  
1163 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1164 B(CH3)3 trimethylborane bme3  
1165 Al(CH3)3 trimethyl aluminum tma  
1166 C(CH3)3 Tert-butyl radical tbutyl  
1167 CH2CH(CH3)2 Isobutyl radical isobutyl  
1168 CH3CHCH2CH3 2-Butyl radical butyl2  
1169 CH3CH(CH3)CH3 Isobutane isobutane  
1170 CH3CH2CH2CH3 Butane butane  
1171 SiH(CH3)3 trimethylsilane trimsi  
1172 Li3N trilithium nitride li3n  
1173 C2N2 Cyanogen c2n2  
1174 C2N2+ Cyanogen cation c2n2+  
1175 P4 Phosphorus tetramer p4  
1176 As4 Arsenic tetramer as4  
1177 HCCCN Cyanoacetylene hcccn  
1178 HCCCN+ Cyanoacetylene cation hcccn+  
1179 H2CNCN cyanamide, methylene ch2ncn  
1180 HNCCNH Ethenediimine hnccnh  
1181 C3H3N acrylonitrile ch2chcn  
1182 C3H3N+ acrylonitrile cation ch2chcn+  
1183 CH3N3 methyl azide ch3n3  
1184 NH2CCNH2 Diaminoacetylene daa  
1185 NH2CH2CN Aminoacetonitrile aan  
1186 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1187 C2H5CN ethyl cyanide c2h5cn  
1188 CH5N3 Guanidine guanidine  
1189 C4H6 Bicyclo[1.1.0]butane c157335  
1190 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1191 H2NCHCHNH2 diaminoethylene dae  
1192 CH6N3+ guanidinium ch6n3+  
1193 C3H7N Cyclopropylamine cpram  
1194 CH7N3 triaminomethane tam  
1195 C3H7N Azetidine azet  
1196 C4H8 cyclobutane cbutane  
1197 C2H8N2 Ethylenediamine ethdiam  
1198 CH3NHNHCH3 dimethyl hydrazine dmh  
1199 CH3CH(NH2)CH3 2-Propanamine pram2  
1200 N(CH3)3 Trimethylamine trimeam  
1201 NH2CH2CH2CH3 1-Propanamine pram1  
1202 P(CH3)3 trimethylphosphine tmp  
1203 N(SiH3)3 trisilylamine tsa  
1204 As(CH3)3 trimethyl arsine tmas  
1205 (CH3)3NH+ protonated trimethyl amine ptma  
1206 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1207 Li2O2 dilithium dioxide li2o2  
1208 Na2O2 disodium dioxide na2o2  
1209 K2O2 dipotassium dioxide k2o2  
1210 C3O Tricarbon monoxide c3o  
1211 B2O2 Diboron dioxide b2o2  
1212 ONNO NO dimer onno  
1213 CO3 Carbon trioxide co3  
1214 CO3-- carbonate co3--  
1215 CS3-- Carbonotrithioate cs3--  
1216 NO3 Nitrogen trioxide no3  
1217 NO3- nitrate anion no3-  
1218 NO3+ nitrogen trioxide cation no3+  
1219 SO3- Sulfur trioxide anion so3-  
1220 SO3-- Sulfate dianion so3--  
1221 SO3+ Sulfur trioxide cation so3+  
1222 SeO3 selenium trioxide seo3  
1223 S4 Sulfur tetramer s4  
1224 TeO3 Tellurium trioxide teo3  
1225 HCO3- bicarbonate anion hco3-  
1226 HNO3 Nitric acid hno3  
1227 HSO3 Hydroxysulfonyl radical hso3  
1228 NH2NO2 nitramide nh2no2  
1229 C2H2CO cyclopropenone c2h2co  
1230 C3H2O Propadienal c3h2o  
1231 HCCCHO 2-propynal hcccho  
1232 C2H2O2 Ethanedial c2h2o2  
1233 C2H2O2+ Ethanedial cation c2h2o2+  
1234 H2CO3 Carbonic acid h2co3  
1235 H2CS3 thiocarbonic acid h2cs3  
1236 H2NO3+ Nitric Acid, Protonated h2no3+  
1237 H2SO3 Sulfurous acid h2so3  
1238 C2H3NO Nitrosoethylene c2h3no  
1239 CH3NCO methylisocyante ch3nco  
1240 HOCH2CN cyanomethanol hoch2cn  
1241 CH3COO- acetate anion ch3coo-  
1242 CH3NO2 Methane, nitro- ch3no2  
1243 CH3ONO Methyl nitrite ch3ono  
1244 NH2COOH Carbamic acid nh2cooh  
1245 H3BO3 Boric acid h3bo3  
1246 H3AlO3 Aluminum hydroxide h3alo3  
1247 H3CO3+ carbonic acid, protonated h3co3+  
1248 C3H4O 2-Propyn-1-ol c107197  
1249 C3H4O allenol c9000071  
1250 C3H4O Cyclopropanone cpone  
1251 C3H4O Methylketene c6004440  
1252 CH2CHCHO Acrolein c3h4o  
1253 NH2CONH2 Urea urea  
1254 NH2CONH2+ Urea cation urea+  
1255 NH2CSNH2 Thiourea thiourea  
1256 C2H4O2 1,3-dioxetane c2h4o2  
1257 CH3COOH Acetic acid ch3cooh  
1258 CH3OCHO methyl formate ch3ocho  
1259 CHOCH2OH hydroxy acetaldehyde haa  
1260 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1261 NH3COOH+ protonated Carbamic acid nh3cooh+  
1262 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1263 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1264 HCOOHH2O Formic acid water dimer hcoohh2o  
1265 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1266 CH3COCH2 Acetonyl radical ch3coch2  
1267 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1268 CH3C(OH)=NH Ethaninidic acid eia  
1269 CH3CHNOH Acetaldoxime acetaldoxime  
1270 CH3CONH2 Acetamide acetamide  
1271 HCONHCH3 N-methylformamide nmfa  
1272 CH3CSNH2 Ethanethioamide ch3csnh2  
1273 CH5N2O+ urea, N-protonated ch4n2o+  
1274 H2NCOHNH2+ urea, protonated ureah+  
1275 C2H5OO ethylperoxy radical c2h5oo  
1276 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1277 C3H5OH Cyclopropanol cproh  
1278 C3H6O 2-Propen-1-ol c107186  
1279 C3H6O Acetone enol enol  
1280 C3H6O Oxetane oxetane  
1281 C3H6O Propylene oxide prox  
1282 CH3CH2CHO Propanal propanal  
1283 CH3COCH3 Acetone acetone  
1284 CH3COCH3- acetone anion ch3coch3-  
1285 C3H6S Thietane thietane  
1286 C3H6S Thiirane, methyl- methiirane  
1287 CH3CSCH3 Thioacetone ch3csch3  
1288 C2H6O2 1,2-Ethanediol ethdiol  
1289 CH3OOCH3 dimethylperoxide dmp  
1290 CH3SOCH3 Dimethyl sulfoxide dmso  
1291 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1292 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1293 CH3COHCH3+ acetone, protonated acetoneh+  
1294 HOCH2CH2NH2 monoethanolamine mea  
1295 C3H7OH 1-Propanol proh  
1296 CH3CHOHCH3 Isopropyl alcohol isoproh  
1297 CH3OC2H5 Ethane, methoxy- etome  
1298 C3H7SH 1-Propanethiol prsh  
1299 CH3CHSHCH3 2-Propanethiol isoprsh  
1300 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1301 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1302 Li2F2 Lithium fluoride dimer li2f2  
1303 Na2F2 Sodium Fluoride Dimer na2f2  
1304 Na2Cl2 Disodium dichloride na2cl2  
1305 C2F2 difluoroacetylene c2f2  
1306 C2Cl2 dichloroacetylene c2cl2  
1307 C2Cl2+ dichloroacetylene cation c2cl2+  
1308 FNO2 Nitryl fluoride fno2  
1309 FONO Nitrosyl hypofluorite fono  
1310 ClNO2 Nitryl chloride clno2  
1311 ClONO chlorine nitrite clono  
1312 BrONO Bromine nitrite brono  
1313 N2F2 (Z)-Difluorodiazene n2f2_z  
1314 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1315 CF2O Carbonic difluoride f2co  
1316 CF2O+ Carbonic difluoride cation f2co+  
1317 COFCl Carbonic chloride fluoride cofcl  
1318 CCl2O Phosgene cl2co  
1319 Cl2CS Thiophosgene cl2cs  
1320 COBr2 Carbonic dibromide cobr2  
1321 BF3 Borane, trifluoro- bf3  
1322 BF3- Borane, trifluoro- anion bf3-  
1323 BF3+ boron trifluoride cation bf3+  
1324 AlF3 Aluminum trifluoride alf3  
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 F2SO Thionyl Fluoride f2so  
1354 ClOOCl Dichlorine dioxide cloocl  
1355 FSSF Difluorodisulfane fssf  
1356 S2F2 Thio-thionyl fluoride s2f2  
1357 SOCl2 thionyl chloride socl2  
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 NI3 Nitrogen triiodide ni3  
1374 PI3 Phosphorus triiodide pi3  
1375 ClSSCl Disulfur dichloride s2cl2  
1376 SF3 Sulfur trifluoride sf3  
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 CHFCl2 fluorodichloromethane chfcl2  
1383 CDCl3 trichloromethane-d cdcl3  
1384 CHCl3 Chloroform chcl3  
1385 CHBrF2 Methane, bromodifluoro- chbrf2  
1386 SiHCl3 Trichlorosilane sihcl3  
1387 CHFClBr fluorochlorobromomethane chfclbr  
1388 CHBrCl2 Methane, bromodichloro- chbrcl2  
1389 CHF2I difluoroiodomethane chf2i  
1390 CHBr2F dibromofluoromethane chbr2f  
1391 CHFClI fluorochloroiodomethane chfcli  
1392 CHCl2I dichloroiodomethane chcl2i  
1393 CHClBr2 Methane, dibromochloro- chclbr2  
1394 CHBr3 bromoform chbr3  
1395 CHI3 Iodoform chi3  
1396 NF3H+ protonated nitrogen trifluoride nf3h+  
1397 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1398 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1399 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1400 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1401 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1402 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1403 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1404 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1405 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1406 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1407 C2H2Br2 1,1-dibromoethene c2h2br2  
1408 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1409 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1410 CH2FCHO Fluoroacetaldehyde ch2fcho  
1411 CH3COF Acetyl fluoride ch3cof  
1412 CH2ClCHO chloroacetaldehyde ch2clcho  
1413 CH3COCl Acetyl Chloride ch3cocl  
1414 C2H4F2 1,2-difluoroethane c2h4f2  
1415 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1416 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1417 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1418 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1419 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1420 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1421 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1422 CH2CFCH3 2-fluoropropene 2fpro  
1423 CH2CHCH2F Allyl Fluoride allylf  
1424 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1425 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1426 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1427 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1428 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1429 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1430 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1431 CH2FCH2CH3 1-Fluoropropane prf1  
1432 CH3CHFCH3 2-Fluoropropane prf2  
1433 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1434 CH3CHClCH3 Propane, 2-chloro- prcl2  
1435 CH3CH2CH2Br n-propyl bromide prbr  
1436 CH3CHBrCH3 i-propyl bromide iprbr  
1437 C3H9O+ trimethyl oxonium cation c3h9o+  
1438 B5H9 pentaborane9 b5h9  
1439 C5H4 pentatetraene ptrene  
1440 C5H5 cyclopentadienyl radical c5h5  
1441 C5H5- cylopentadienyl anion c5h5-  
1442 C5H6 1,3-Cyclopentadiene c542927  
1443 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1444 C5H6 3-Penten-1-yne, (E)- c2004695  
1445 C5H6 3-Penten-1-yne, (Z)- c1574409  
1446 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1447 C5H6 Cyclopropylacetylene c6746947  
1448 C5H6 Propellane propellane  
1449 C5H7 1,3-pentadienyl radical pdyl  
1450 C5H7 cyclopentenyl radical cpyl  
1451 C5H8 1,2-Butadiene, 3-methyl- c598254  
1452 C5H8 1,2-Pentadiene c591957  
1453 C5H8 1,3-Butadiene, 2-methyl- c78795  
1454 C5H8 1,3-Pentadiene, (E)- c2004708  
1455 C5H8 1,3-Pentadiene, (Z)- c1574410  
1456 C5H8 1,4-Pentadiene c591935  
1457 C5H8 1-pentyne a1pentyne  
1458 C5H8 2,3-Pentadiene c591968  
1459 C5H8 Bicyclo[1.1.1]pentane bcp  
1460 C5H8 Cyclobutane, methylene- c1120565  
1461 C5H8 Cyclopentene c142290  
1462 C5H8 Ethenylcyclopropane c693867  
1463 CH3CCCH2CH3 2-Pentyne 2pentyne  
1464 C5H10 1-Butene, 2-methyl- c563462  
1465 C5H10 2-Butene, 2-methyl- c513359  
1466 C5H10 2-Pentene, (E)- c646048  
1467 C5H10 2-Pentene, (Z)- c627203  
1468 C5H10 Cyclopentane c287923  
1469 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1470 CH2CHCH2CH2CH3 1-pentene pentene  
1471 C5H11 2-Methylbut-2-yl radical c4348350  
1472 C5H12 Butane, 2-methyl- buta2  
1473 C5H12 Pentane pentane  
1474 C5H12 Propane, 2,2-dimethyl- neopentane  
1475 Si(CH3)4 tetramethylsilane tms  
1476 N2O3 Dinitrogen trioxide n2o3  
1477 C3H2N2 Malononitrile c3h2n2  
1478 CH2N4 1H-Tetrazole 1htz  
1479 C3H3N2 imidazolyl radical im  
1480 C3H3N2- imidizolyl anion im-  
1481 C2H3N3 1H-1,2,4-Triazole c288880  
1482 C4H4N pyrrolide radical c4h4n  
1483 C4H4N- pyrrolide anion c4h4n-  
1484 C3H4N2 1H-Imidazole 1himidaz  
1485 C3H4N2 1H-Pyrazole 1hpyraz  
1486 C3H4N2 2H-Imidazole imid2h  
1487 C3H4N2 4H-Imidazole imid4h  
1488 C4H5N (E)-2-Butenenitrile c627269  
1489 C4H5N (Z)-2-Butenenitrile c1190767  
1490 C4H5N 2H-pyrrole pyrrole2  
1491 C4H5N 3H-pyrrole pyrrole3  
1492 C4H5N Cyclopropanecarbonitrile c5500210  
1493 C4H5N Pyrrole pyrrole  
1494 CH2CHCH2CN Allylcyanide ch2chch2cn  
1495 C4H6N+ pyrrole, alpha-protonated appyr  
1496 C4H6N+ pyrrole, beta-protonated bppyr  
1497 C4H6N+ pyrrole, protonated ppyr  
1498 C3H6N2 3-Aminopropionitrile c151188  
1499 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1500 CH3CH2CH2CN Butanenitrile c109740  
1501 C5H8 Bicyclo[2.1.0]pentane c185944  
1502 C5H8 Spiropentane c157404  
1503 C4H9N Cyclobutylamine cbam  
1504 C4H9N Pyrrolidine pyrrolidine  
1505 C3H10N2 1,2-Diaminopropane diampr12  
1506 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1507 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1508 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1509 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1510 NH(C2H5)2 diethylamine dea  
1511 NC4H12+ tetramethyl ammonium cation nc4h12+  
1512 C3O2 Carbon suboxide c3o2  
1513 C3O2+ Carbon suboxide cation c3o2+  
1514 B2O3 diboron trioxide b2o3  
1515 MgCO3 Magnesium Carbonate mgco3  
1516 BeCO3 Beryllium Carbonate beco3  
1517 CaCO3 Calcium Carbonate caco3  
1518 ONONO Nitrosyl nitrite onono  
1519 PO4--- phosphate po4---  
1520 SO4-- sulfate so4--  
1521 HOONO2 peroxy nitric acid hoono2  
1522 HSO4- bisulfate anion hso4-  
1523 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1524 C3H2O2 Propiolic acid c3h2o2  
1525 CHOCOOH oxo acetic acid oaa  
1526 CHOOCHO diformyl ether choocho  
1527 H2SO4 Sulfuric acid h2so4  
1528 H2SeO4 Selenic acid h2seo4  
1529 C3H3NO Isoxazole isox  
1530 C3H3NO Oxazole oxazole  
1531 C3H3NS Thiazole thiazole  
1532 CH3C(O)OO acetyl peroxy radical ch3coo2  
1533 CH3NO3 Methyl nitrate ch3no3  
1534 H3PO4 Phosphoric Acid h3po4  
1535 C4H4O Furan furan  
1536 C4H4O+ Furan cation furan+  
1537 CH3COCCH 3-butyn-2-one c1423605  
1538 C4H4S Thiophene furans  
1539 C4H4Se selenophene c4h4se  
1540 C3H4O2 β–Propiolactone beta  
1541 C3H4O2 2-Propenoic acid propenoic2  
1542 C3H4O2 Methyl glyoxal megly  
1543 C3H4O2 propanedial propanedial  
1544 C3H4O2 propenalol propenalol  
1545 HOCHCCHOH allenediol aldiol  
1546 C2H4O3 1,2,3-trioxolane c2h4o3  
1547 C2H4O3 trioxolane124 triox  
1548 HOCH2COOH Hydroxyacetic acid hac  
1549 CH2CHCONH2 Acrylamide c79061  
1550 CH3OCH2CN Methoxyacetonitrile c1738369  
1551 CH5N3S Hydrazinecarbothioamide c79196  
1552 H2NCH2COOH Glycine glycine  
1553 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1554 C4H6O cis-2-butenal butenal2c  
1555 C4H6O Cyclobutanone cbutone  
1556 C4H6O Furan, 2,3-dihydro- furan23h  
1557 C4H6O Furan, 2,5-dihydro- furan25h  
1558 CH2CHOCHCH2 Vinyl ether vinylether  
1559 CHOCHCHCH3 2-Butenal butenal2  
1560 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1561 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1562 CH2CHSCHCH2 Divinyl sulfide divis  
1563 C2H6N2O Urea, methyl- c598505  
1564 C3H6O2 1,3-Dioxolane dioxolane  
1565 CH3CH2COOH Propanoic Acid propanoic  
1566 CH3COOCH3 methyl acetate aame  
1567 HCOOC2H5 Ethyl formate faee  
1568 C2H6O2S Dimethyl sulfone c67710  
1569 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1570 C3H7NO dimethylformamide dmf  
1571 C3H7NO Propanamide propanam  
1572 C2H3OC2H5 Ethene, ethoxy- c109922  
1573 C4H8O Cyclobutanol c2919235  
1574 C4H8O Furan, tetrahydro- thf  
1575 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1576 CH3COCH2CH3 2-Butanone buta2one  
1577 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1578 CHOCH2CH2CH3 Butanal butanal  
1579 C4H8S Thiophene, tetrahydro- tht  
1580 C3H8O2 1,3-Propanediol c504632  
1581 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1582 C3H8O2 Methane, dimethoxy- c109875  
1583 C3H8O2 Propylene glycol c57556  
1584 C3H8S2 1,3-Propanedithiol c109808  
1585 C4H10O 1-Butanol butanol1  
1586 C4H10O 1-Propanol, 2-methyl- c78831  
1587 C4H10O 2-Butanol, (.+/-.)- butanol2  
1588 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1589 C4H10O Ethoxy ethane etoet  
1590 C4H10O Methyl propyl ether meopr  
1591 C4H10O Propane, 2-methoxy- c598538  
1592 C4H10O+ 1-Butanol cation butanol1+  
1593 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1594 C2H5SC2H5 Diethyl sulfide etset  
1595 C4H9SH 1-Butanethiol bush  
1596 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1597 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1598 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1599 FNO3 Fluorine nitrate fno3  
1600 ClONO2 Chlorine nitrate clono2  
1601 BrONO2 Bromine nitrate brono2  
1602 TiCl4 Titanium tetrachloride ticl4  
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 SF4 Sulfur tetrafluoride sf4  
1644 SeF4 Selenium tetrafluoride sef4  
1645 SCl4 Sulfur tetrachloride scl4  
1646 C2HF3 Trifluoroethylene c2hf3  
1647 C2HF3+ Trifluoroethylene cation c2hf3+  
1648 CHClCCl2 Trichloroethylene chclccl2  
1649 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1650 HClO4 perchloric acid hclo4  
1651 HSO3F Fluorosulfonic acid hso3f  
1652 CF3OH trifluoromethanol cf3oh  
1653 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1654 CHClCCHCl 1,3-dichloroallene chclcchcl  
1655 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1656 CHCl2CHO dichloroacetaldehyde chcl2cho  
1657 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1658 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1659 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1660 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1661 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1662 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1663 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1664 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1665 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1666 NH3BCl3 Amminetrichloroboron nh3bcl3  
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 SOF4 Sulfur tetrafluoride oxide sof4  
1921 PF5 Phosphorus pentafluoride pf5  
1922 AsF5 Arsenic pentafluoride asf5  
1923 PCl5 Phosphorus pentachloride pcl5  
1924 SF5 Sulfur pentafluoride sf5  
1925 SF5+ pentafluoro sulfur cation sf5+  
1926 SbCl5 Antimony pentachloride sbcl5  
1927 BrF5 bromine pentafluoride brf5  
1928 ClF5 chlorinepentafluoride clf5  
1929 IF5 pentafluoroiodine if5  
1930 CF3CHO trifluoroacetaldehyde cf3cho  
1931 CCl3CHO trichloroacetaldehyde ccl3cho  
1932 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1933 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1934 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1935 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1936 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1937 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1938 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1939 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1940 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1941 CF3COOH trifluoroacetic acid cf3cooh  
1942 C4H3ClO Furan, 2-chloro fur2cl  
1943 C4H3ClO Furan,3-chloro fur3cl  
1944 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1945 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1946 C4H8Cl2 1,4-Dichlorobutane c110565  
1947 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1948 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1949 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1950 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1951 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1952 C5H11Cl Pentane, 1-chloro- pencl1  
1953 C4H8O2 Butanoic acid bua  
1954 C6H5CH2 benzyl radical benzyl  
1955 C7H7 cycloheptatrienyl radical c7h7  
1956 C7H7+ cycloheptatrienyl cation c7h7+  
1957 C6H5CH3 toluene toluene  
1958 C7H8 cycloheptatriene cht  
1959 C7H8 Norbornadiene norbor  
1960 C7H8 Quadricyclane qucy  
1961 C7H12 Norbornane nor  
1962 C7H14 cycloheptane c7h14  
1963 C7H16 2-methylhexane 2mhex  
1964 C7H16 3-methylhexane hex3m  
1965 C7H16 heptane heptane  
1966 CH(CN)3 tricyanomethane mecn3  
1967 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1968 C6H7N 2-Methylpyridine mp  
1969 C6H5NH2 aniline aniline  
1970 C6H13N 2-Methylpiperidine pip2m  
1971 C6H13N cyclohexanamine cham  
1972 C6H15N triethylamine tea  
1973 N2O5 Dinitrogen pentoxide n2o5  
1974 C4H2O3 Maleic Anhydride malan  
1975 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1976 C5H4O2 furfural furfural  
1977 C6H5O phenoxy radical phenoxy  
1978 C5H5NO 2(1H)-Pyridinone c72762006  
1979 C5H5NO 2(3H)-Pyridinone c9000048  
1980 C5H5NO 2(5H)-Pyridinone c9000037  
1981 C5H5NO 2-Pyridinol c109104  
1982 C5H5NO 3(2H)-Pyridinone c9000004  
1983 C5H5NO 3(4H)-Pyridinone c9000026  
1984 C5H5NO 3(6H)-Pyridinone c9000015  
1985 C5H5NO 3-Pyridinol c109002  
1986 C5H5NO 4(1H)-Pryidinone c9000060  
1987 C5H5NO 4(3H)-Pryidinone c9000059  
1988 C5H5NO 4-Pyridinol c626642  
1989 C6H5OH phenol phenol  
1990 C6H6O 2,4-Cyclohexadienone c24599573  
1991 C6H6O 2,5-Cyclohexadienone c5664335  
1992 C6H5SH Benzenethiol phsh  
1993 HO2CCHNH2CH2OH Serine serine  
1994 C5H8O2 Acetylacetone acac  
1995 C4H8O2S Sulfolane sulfolane  
1996 C7H10 Norbornene norbornene  
1997 CH(C2H3)3 trivinyl methane tvm  
1998 C6H10O cyclohexanone chexo  
1999 C6H12O hexanal c6h12o  
2000 C6H12O Oxepane oxepane  
2001 C3H7OC3H7 di-n-propyl ether propr  
2002 F2CCCF2 tetrafluoroallene pfa  
2003 CF3COO- trifluoro acetate anion cf3coo-  
2004 CF3COF trifluoroacetyl fluoride cf3cof  
2005 CF3COCl trifluoroacetyl chloride cf3cocl  
2006 PF6 Hexafluorophosphate neutral pf6  
2007 SF6 Sulfur Hexafluoride sf6  
2008 SeF6 Selenium hexafluoride sef6  
2009 CF3CHF2 pentafluoroethane cf3chf2  
2010 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2011 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2012 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2013 CCl3CHCl2 pentachloroethane ccl3chcl2  
2014 C6H5F Fluorobenzene bzf  
2015 C6H5Cl chlorobenzene bzcl  
2016 C6H5Br bromobenzene bzbr  
2017 C8H6 Calicene calicene  
2018 C6H5CCH phenylacetylene phac  
2019 C8H6 benzocyclobutadiene bcbd  
2020 C8H6 Pentalene pentalene  
2021 C6H5CHCH2 Styrene styrene  
2022 C8H8 cubane cubane  
2023 C8H8 cyclooctatetraene cot  
2024 C6H5CH2CH3 Ethylbenzene etbz  
2025 CH3C6H4CH3 meta-xylene mxylene  
2026 CH3C6H4CH3 paraxylene pxylene  
2027 C8H14 Bicyclo[2.2.2]octane bico222  
2028 C8H16 cyclooctane cyclooct  
2029 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2030 C8H18 Octane c8h18  
2031 C6H5CN phenyl cyanide phcn  
2032 C6H12N2 Triethylenediamine ted  
2033 C4O4-- squarate dianion c4o4--  
2034 S4N4 Tetrasulfur tetranitride s4n4  
2035 S8 Octasulfur s8  
2036 C6H4O2 parabenzoquinone pbq  
2037 C4H4N2O2 Uracil uracil  
2038 C6H5CHO benzaldehyde benzal  
2039 C6H5OCH3 Anisole anisole  
2040 C5H9NO2 Proline proline  
2041 C6H12O2 Methyl pivalate c598981  
2042 C6H12O2 Hexanoic acid hexa  
2043 C4F4 tetrafluorcyclobutadiene c4f4  
2044 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2045 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2046 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2047 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2048 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2049 C2F6 hexafluoroethane c2f6  
2050 C2Cl6 hexachloroethane c2cl6  
2051 IF7 Iodine heptafluoride if7  
2052 C6H4F2 metadifluorobenzene mdfb  
2053 C6H4F2 orthodifluorobenzene odfb  
2054 C6H4F2 1,4-difluorobenzene pdfb  
2055 C6H4Cl2 1,2-dichlorobenzene dcb12  
2056 C6H4Cl2 1,3-dichlorobenzene dcb13  
2057 C6H4Cl2 1,4-dichlorobenzene dcb14  
2058 C6H5NO nitrosobenzene bzno  
2059 C9H8 Indene indene  
2060 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2061 C9H12 n-propyl benzene prbz  
2062 C9H20 Nonane nonane  
2063 C(CN)4 tetracyanomethane c5n4  
2064 C5H4N4 purine purine  
2065 C8H7N Indole indole  
2066 C3H3N3O3 cyanuric acid cyanuric  
2067 C6H5NO2 Nitrobenzene c6h5no2  
2068 C6H5COOH benzoic acid benzo  
2069 CH3COC6H5 acetophenone acph  
2070 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2071 C3F6 hexafluoropropene c3f6  
2072 C6H3F3 Benzene trifluoride 123 bzf3a  
2073 C8H18O 1-Octanol octanol  
2074 C10H8 Azulene azu  
2075 C10H8 naphthalene naph  
2076 C10H10 bullvalene bullv  
2077 C10H16 adamantane adamantane  
2078 C6N4 Tetracyanoethylene tcne  
2079 C6N4- tetracyanoethylene anion tcne-  
2080 C10H22 Decane decane  
2081 C4F6 perfluorobutadiene c4f6  
2082 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2083 C3F8 perfluoropropane c3f8  
2084 Fe(CO)5 Iron pentacarbonyl ipc  
2085 Fe(C5H5)2 ferrocene fecp2  
2086 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2087 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2088 C12H8 Acenaphthylene acenaph  
2089 C12H8 biphenylene biph  
2090 C12H10 biphenyl biphenyl  
2091 C12H10 Heptalene heptalene  
2092 C6H12O6 Inositol inositol  
2093 C6F6 hexafluorobenzene c6f6  
2094 S2F10 disulphur decafluoride s2f10  
2095 C13H10 Fluorene fluorene  
2096 C14H10 Anthracene anth  
2097 C14H10 Phenanthrene phenanthrene  
2098 C14H14 Bibenzyl bibenzyl  
2099 C12H10N2 azobenzene azobenzene  
2100 C6H5COC6H5 benzophenone benzophenone  
2101 C16H10 Pyrene pyrene  
2102 C18H12 Tetracene tetracene  
2103 C19H16 Triphenylmethane tpm  
2104 C24H12 Coronene coronene  
2105 C60 Buckminsterfullerene c60