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

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

List of which calculations are completed at MP2 /Sadlej_pVTZ

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H2 Hydrogen diatomic 1ΣgD∞h
3 Li Lithium atom 2SKh
4 Na Sodium atom 2SKh
5 K Potassium atom 2SKh
6 Be Beryllium atom 1SKh
7 Mg Magnesium atom 1SKh
8 C Carbon atom 3P0Kh
9 CH4 Methane 1A1Td
10 P Phosphorus atom 4SKh
11 NH3 Ammonia 1A1C3v
12 O Oxygen atom 3SKh
13 S Sulfur atom 3PKh
14 H2O Water 1A1C2v
15 H2S Hydrogen sulfide 1A1C2v
16 F Fluorine atom 2PKh
17 Cl Chlorine atom 2PKh
18 HCl Hydrogen chloride 1ΣC∞v
19 NaLi lithium sodium 1ΣC∞v
20 C2H2 Acetylene 1ΣgD∞h
21 C2H4 Ethylene 1AgD2h
22 C2H6 Ethane 1A1gD3d
23 N2 Nitrogen diatomic 1ΣgD∞h
24 CH3NH2 methyl amine 1A'Cs
25 CO Carbon monoxide 1ΣC∞v
26 NO Nitric oxide 2ΠC∞v
27 O2 Oxygen diatomic 3ΣgD∞h
28 S2 Sulfur diatomic 3ΣgD∞h
29 H2CO Formaldehyde 1A1C2v
30 CH3OH Methyl alcohol 1A'Cs
31 CF Fluoromethylidyne 2ΠC∞v
32 F2 Fluorine diatomic 1ΣgD∞h
33 Cl2 Chlorine diatomic 1ΣgD∞h
34 HOF Hypofluorous acid 1A'Cs
35 CH3F Methyl fluoride 1A1C3v
36 CH3Cl Methyl chloride 1A1C3v
37 CH2CCH2 allene 1A1D2d
38 C3H6 Cyclopropane 1A1'D3h
39 C3H8 Propane 1A1C2v
40 CH3NHCH3 Dimethylamine 1A'Cs
41 N2O Nitrous oxide 1ΣC∞v
42 CO2 Carbon dioxide 1ΣgD∞h
43 NO2 Nitrogen dioxide 2A1C2v
44 SO2 Sulfur dioxide 1A1C2v
45 HCOOH Formic acid 1A'Cs
46 CH3CHO Acetaldehyde 1A'Cs
47 CH3CH2OH Ethanol 1A'Cs
48 CH3OCH3 Dimethyl ether 1A1C2v
49 CH3SCH3 Dimethyl sulfide 1A1C2v
50 CF2 Difluoromethylene 1A1D∞h
51 HCCF Fluoroacetylene 1ΣC∞v
52 CH2F2 Methane, difluoro- 1A1C2v
53 CH2Cl2 Methylene chloride 1A1C2v
54 CH3CH2CH2CH3 Butane 1AgAnti
55 N(CH3)3 Trimethylamine 1A1C3v
56 CH3COCH3 Acetone 1A1C2v
57 CF2O Carbonic difluoride 1A1C2v
58 CHF3 Methane, trifluoro- 1A1C3v
59 C2H4F2 1,2-difluoroethane 1AC2 gauche
60 C5H12 Pentane 1A1C2v
61 CF4 Carbon tetrafluoride 1A1Td
62 CF3Cl Methane, chlorotrifluoro- 1A1C3v
63 CF2Cl2 difluorodichloromethane 1A1C2v
64 CFCl3 Trichloromonofluoromethane 1A1C3v
65 CCl4 Carbon tetrachloride 1A1Td
66 C6H14 Hexane 1AgC2h
67 C5H5N Pyridine 1A1C2v
68 C6H5F Fluorobenzene 1A1C2v

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 anion h-  
5 H+ Hydrogen atom cation h+  
6 D2 Deuterium diatomic d2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He Helium atom he  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 Na+ Sodium atom cation na+  
21 K- Potassium atom anion k-  
22 K+ Potassium atom cation k+  
23 Cu Copper atom cu  
24 Cu- Copper atom anion cu-  
25 Cu+ Copper atom cation cu+  
26 LiH Lithium Hydride lih  
27 LiH- lithium hydride anion lih-  
28 LiH+ lithium hydride cation lih+  
29 NaH sodium hydride nah  
30 NaH- sodium hydride anion nah-  
31 NaH+ sodium hydride cation nah+  
32 KH Potassium hydride kh  
33 KH+ Potassium hydrogen cation kh+  
34 CuH Copper monohydride cuh  
35 Be- Beryllium atom anion be-  
36 Be+ Beryllium atom cation be+  
37 Mg- Magnesium atom anion mg-  
38 Mg+ Magnesium atom cation mg+  
39 Ca Calcium atom ca  
40 Ca- Calcium atom anion ca-  
41 Ca+ Calcium atom cation ca+  
42 Zn Zinc atom zn  
43 Zn- Zinc atom anion zn-  
44 Zn+ Zinc atom cation zn+  
45 BeH beryllium monohydride beh  
46 BeH- berylium monohydride anion beh-  
47 BeH+ beryllium monohydride cation beh+  
48 MgH magnesium monohydride mgh  
49 MgH- magnesium monohydride anion mgh-  
50 MgH+ magnesium monohydride cation mgh+  
51 CaH Calcium monohydride cah  
52 CaH+ Calcium monohydride cation cah+  
53 TiH Titanium monohydride tih  
54 ZnH Zinc monohydride znh  
55 ZnH+ Zinc, protonated znh+  
56 BeH2 beryllium dihydride beh2  
57 BeH2+ Beryllium dihydride cation beh2+  
58 MgH2 magnesium dihydride mgh2  
59 CaH2 Calcium Hydride cah2  
60 ZnH2 Zinc hydride znh2  
61 B Boron atom b  
62 B- Boron atom anion b-  
63 B+ Boron atom cation b+  
64 Al Aluminum atom al  
65 Al- Aluminum atom anion al-  
66 Al+ Aluminum atom cation al+  
67 Sc Scandium atom sc  
68 Sc+ Scandium cation sc+  
69 Ga Gallium atom ga  
70 Ga- Gallium atom anion ga-  
71 Ga+ Gallium atom cation ga+  
72 BH Boron monohydride bh  
73 BH- boron monohydride anion bh-  
74 BH+ boron monohydride cation bh+  
75 AlH aluminum monohydride alh  
76 AlH- aluminum monohydride anion alh-  
77 AlH+ aluminum monohydride cation alh+  
78 ScH Scandium monohydride sch  
79 ScH+ Scandium monohydride cation sch+  
80 GaH Gallium monohydride gah  
81 GaH+ Gallium monohydride cation gah+  
82 BH2 boron dihydride bh2  
83 BH2- boron dihydride anion bh2-  
84 BH2+ Boron dihydride cation bh2+  
85 AlH2 aluminum dihydride alh2  
86 AlH2- aluminum dihydride anion alh2-  
87 AlH2+ aluminum dihydride cation alh2+  
88 BH3 boron trihydride bh3  
89 BH3- boron trihydride anion bh3-  
90 BH3+ boron trihydride cation bh3+  
91 AlH3 aluminum trihydride alh3  
92 AlH3- aluminum trihydride anion alh3-  
93 AlH3+ aluminum trihydride cation alh3+  
94 ScH3 Scandium trihydride sch3  
95 GaH3 Gallium trihydride gah3  
96 BH4 borohydride bh4  
97 BH4- borohydride anion bh4-  
98 AlH4- Aluminum tetrahydride anion alh4-  
99 C- Carbon atom anion c-  
100 C+ Carbon atom cation c+  
101 Si Silicon atom si  
102 Si- Silicon atom anion si-  
103 Si+ Silicon atom cation si+  
104 Ti Titanium atom ti  
105 Ti- Titanium atom anion ti-  
106 Ti+ Titanium atom cation ti+  
107 Ge Germanium atom ge  
108 Ge- Germanium anion ge-  
109 Ge+ Germanium cation ge+  
110 Sn Tin atom sn  
111 Sn+ Tin cation sn+  
112 CH Methylidyne ch  
113 CH- methylidyne anion ch-  
114 CH+ Methylidyne cation ch+  
115 SiH Silylidyne sih  
116 SiH- silicon monohydride anion sih-  
117 SiH+ silicon monohydride cation sih+  
118 GeH germylidene geh  
119 GeH+ Germaniun monohyrdide cation geh+  
120 CH2 Methylene ch2  
121 CH2- methylene anion ch2-  
122 CH2+ methylene cation ch2+  
123 SiH2 silicon dihydride sih2  
124 SiH2- silicon dihydride anion sih2-  
125 SiH2+ silicon dihydride cation sih2+  
126 GeH2 germylene geh2  
127 GeH2- germylene anion geh2-  
128 CH3 Methyl radical ch3  
129 CH3- methyl anion ch3-  
130 CH3+ methyl cation ch3+  
131 SiH3 Silyl radical sih3  
132 SiH3- Silyl anion sih3-  
133 SiH3+ Silyl cation sih3+  
134 GeH3 Germyl radical geh3  
135 GeH3+ germyl cation geh3+  
136 CD4 methane-d4 cd4  
137 CH2D2 methane-d2 ch2d2  
138 CH3D methane-d ch3d  
139 CH4- Methane anion ch4-  
140 CH4+ Methane cation ch4+  
141 CHD3 methane-d3 chd3  
142 SiH2D2 silane-d2 sih2d2  
143 SiH4 Silane sih4  
144 SiH4+ Silane cation sih4+  
145 GeH4 Germane geh4  
146 SnH4 Stannane snh4  
147 SiH5+ Silane, protonated sih5+  
148 N Nitrogen atom n  
149 N- Nitrogen atom anion n-  
150 N+ Nitrogen atom cation n+  
151 P- Phosphorus atom anion p-  
152 P+ Phosphorus atom cation p+  
153 V Vanadium atom v  
154 V+ Vanadium atom cation v+  
155 As Arsenic atomic as  
156 As- Arsenic anion as-  
157 As+ Arsenic cation as+  
158 Sb Antimony atom sb  
159 NH Imidogen nh  
160 NH- Imidogen anion nh-  
161 NH+ imidogen cation nh+  
162 PH phosphorus monohydride ph  
163 PH- phosphorus monohydride anion ph-  
164 PH+ phosphorus monohydride cation ph+  
165 AsH Arsenic monohydride ash  
166 AsH+ Arsenic monohydride cation ash+  
167 SbH Antimony monohydride sbh  
168 ND2 Amidogen-d2 nd2  
169 NH2 Amino radical nh2  
170 NH2- amino anion nh2-  
171 NH2+ Amino cation nh2+  
172 PH2 Phosphino radical ph2  
173 PH2- Phosphino anion ph2-  
174 PH2+ Phosphino cation ph2+  
175 AsH2 Arsenic dihydride ash2  
176 AsH2+ Arsenic dihydride cation ash2+  
177 ND3 Ammonia-d3 nd3  
178 NH3- Ammonia anion nh3-  
179 NH3+ ammonia cation nh3+  
180 PH3 Phosphine ph3  
181 PH3+ Phosphine cation ph3+  
182 AsH3 Arsine ash3  
183 AsH3+ Arsine cation ash3+  
184 SbH3 Stibine sbh3  
185 AsH4+ Arsonium ash4+  
186 NH4 Ammonium radical nh4  
187 NH4+ ammonium cation nh4+  
188 PH4 Phosphoranyl radical ph4  
189 PH4+ phosphonium cation ph4+  
190 O- Oxygen atom anion o-  
191 O+ Oxygen atom cation o+  
192 S- Sulfur atom anion s-  
193 S+ Sulfur atom cation s+  
194 Cr Chromium atom cr  
195 Se Selenium atom se  
196 Se- Selenium atom anion se-  
197 Se+ Selenium atom cation se+  
198 Te Tellurium atom te  
199 Te+ Tellurium atom cation te+  
200 DO Hydroxyl-d od  
201 OH Hydroxyl radical oh  
202 OH- hydroxide anion oh-  
203 OH+ hydoxyl cation oh+  
204 DS Mercapto-d ds  
205 HS Mercapto radical hs  
206 HS- mercapto anion sh-  
207 HS+ sulfur monohydride cation sh+  
208 CrH Chromium hydride crh  
209 CrH+ Chromium hydride cation crh+  
210 HSe Selenium monohydride hse  
211 HSe- selenium monohydride anion hse-  
212 HSe+ selenium monohydride cation hse+  
213 TeH Telluryl radical teh  
214 D2O Deuterium oxide d2o  
215 H2O- water anion h2o-  
216 H2O+ water cation h2o+  
217 HDO Water-d1 hdo  
218 D2S Hydrogen sulfide-d2 d2s  
219 H2S- Hydrogen sulfide anion h2s-  
220 H2S+ Hydrogen sulfide cation h2s+  
221 H2Se Hydrogen selenide h2se  
222 H2Se+ Hydrogen selenide cation h2se+  
223 H2Te Hydrogen Telluride h2te  
224 H3O+ hydronium cation h3o+  
225 H3S+ Sulfonium cation h3s+  
226 H3Se+ Hydrogen Selenide, protonated h3se+  
227 F- Fluorine atom anion f-  
228 F+ Fluorine atom cation f+  
229 Cl- Chlorine atom anion cl-  
230 Cl+ Chlorine atom cation cl+  
231 Mn Manganese atom mn  
232 Br Bromine atom br  
233 Br- Bromine atom anion br-  
234 Br+ Bromine atom cation br+  
235 I Iodine atom iodine  
236 I- Iodine atom anion iodine-  
237 I+ Iodine atom cation iodine+  
238 DF Hydrofluoric acid-d df  
239 HF Hydrogen fluoride hf  
240 HF- hydrogen fluoride anion hf-  
241 HF+ hydrogen fluoride cation hf+  
242 DCl Hydrochloric acid-d dcl  
243 HCl- hydrogen chloride anion hcl-  
244 HCl+ hydrogen chloride cation hcl+  
245 HBr hydrogen bromide hbr  
246 HBr- hydrogen bromide anion hbr-  
247 HBr+ hydrogen bromide cation hbr+  
248 HI Hydrogen iodide hi  
249 HI+ Hydrogen iodide cation hi+  
250 H2F+ dihydrogen fluoride cation h2f+  
251 H2Cl+ dihydrogen monochloride cation h2cl+  
252 H2Br+ protonated hydrogen bromide h2br+  
253 H2I+ Iodonium h2i+  
254 Ne Neon atom ne  
255 Ne- Neon atom anion ne-  
256 Ne+ Neon atom cation ne+  
257 Ar Argon atom ar  
258 Ar- Argon atom anion ar-  
259 Ar+ Argon atom cation ar+  
260 Fe Iron atom fe  
261 Kr Krypton atom kr  
262 Kr+ Krypton cation kr+  
263 Xe Xenon atom xe  
264 HeLi+ Helium Lithium cation heli+  
265 NeH neon hydrogen neh  
266 NeH+ neon hydrogen cation neh+  
267 ArH+ Argon hydride cation arh+  
268 KrH+ Protonated Krypton krh+  
269 XeH+ Xenon, protonated xeh+  
270 H2Ar H2 Ar dimer h2ar  
271 Co Cobalt atom cobalt  
272 Ni Nickel atom ni  
273 Li2 Lithium diatomic li2  
274 Li2- lithium diatomic anion li2-  
275 Li2+ lithium diatomic cation li2+  
276 NaLi- lithium sodium anion lina-  
277 NaLi+ lithium sodium cation lina+  
278 LiK Lithium Potassium lik  
279 Na2 Sodium diatomic na2  
280 Na2- sodium diatomic anion na2-  
281 Na2+ sodium diatomic cation na2+  
282 NaK Sodium Potassium nak  
283 NaK+ Sodium Potassium diatomic cation nak+  
284 K2 Potassium diatomic k2  
285 Cu2 Copper diatomic cu2  
286 LiBe Lithium Beryllium libe  
287 LiMg Lithium magnesium limg  
288 NaBe Sodium Beryllium nabe  
289 NaMg Sodium Magnesium namg  
290 Be2 Beryllium diatomic be2  
291 Be2- Beryllium diatomic anion be2-  
292 Be2+ Beryllium diatomic cation be2+  
293 BeMg Beryllium Magnesium bemg  
294 Mg2 Magnesium diatomic mg2  
295 Mg2- magnesium diatomic anion mg2-  
296 Mg2+ magnesium diatomic cation mg2+  
297 Ca2 Calcium diatomic ca2  
298 LiB Lithium boride lib  
299 LiAl Lithium Aluminum lial  
300 NaAl Sodium aluminum naal  
301 BeB Beryllium monoboride beb  
302 B2 Boron diatomic b2  
303 B2- Boron diatomic anion b2-  
304 B2+ Boron diatomic cation b2+  
305 BAl Boron Aluminum bal  
306 Al2 Aluminum diatomic al2  
307 Al2- aluminum diatomic anion al2-  
308 Al2+ aluminum diatomic cation al2+  
309 BGa Boron Gallium bga  
310 AlGa Aluminum Gallium alga  
311 Ga2 Gallium diatomic ga2  
312 HBBH Diborane(2) hbbh  
313 LiBH4 Lithium borohydride libh4  
314 B2H4 Diborane(4) D2d b2h4  
315 HBHHBH Diborane(4) C2V hbhhbh  
316 B2H6 Diborane b2h6  
317 B2H6+ Diborane cation b2h6  
318 Al2H6 dialane al2h6  
319 Ga2H6 digallane ga2h6  
320 LiC Lithium Carbide lic  
321 BeC Beryllium Carbide bec  
322 CaC Calcium monocarbide cac  
323 BC boron monocarbide bc  
324 BC- boron monocarbide anion bc-  
325 BC+ boron monocarbide cation bc+  
326 AlC Aluminum carbide alc  
327 BSi Boron silicide bsi  
328 C2 Carbon diatomic c2  
329 C2- carbon diatomic anion c2-  
330 C2+ carbon diatomic cation c2+  
331 SiC silicon monocarbide sic  
332 SiC- silicon monocarbide anion sic-  
333 SiC+ silicon monocarbide cation sic+  
334 Si2 Silicon diatomic si2  
335 Si2- silcon diatomic anion si2-  
336 Si2+ silcon diatomic cation si2+  
337 GeC Germanium monocarbide gec  
338 SiGe Silicon Germanium sige  
339 Ge2 Germanium diatomic ge2  
340 C2H Ethynyl radical c2h  
341 C2H- Ethynyl anion c2h-  
342 C2H+ Ethynyl cation c2h+  
343 ZnCH2 Zinc methylene znch2  
344 C2H2+ acetylene cation c2h2+  
345 CCH2 vinylidene vinylidene  
346 H2CC- vinylidene anion h2cc-  
347 HCCH- acetylene anion c2h2-  
348 Si2H2 disilyne si2h2  
349 CH3Li methyl lithium ch3li  
350 CuCH3 monomethyl copper cuch3  
351 ZnCH3 Zinc monomethyl znch3  
352 CH2BH methyleneborane ch2bh  
353 C2H3 vinyl c2h3  
354 C2H3- vinyl anion c2h3-  
355 C2H3+ vinyl cation c2h3+  
356 C2H4- Ethylene anion c2h4-  
357 C2H4+ Ethylene cation c2h4+  
358 CH3CH methylmethylene ch3ch  
359 CH2SiH2 silaethylene ch2sih2  
360 Si2H4 Disilene si2h4  
361 CH3BH2 methylborane ch3bh2  
362 C2H5 Ethyl radical c2h5  
363 C2H5- Ethyl anion c2h5-  
364 C2H5+ Ethyl cation c2h5+  
365 C2H6+ ethane cation c2h6+  
366 CH3SiH3 methyl silane ch3sih3  
367 Si2H6 disilane si2h6  
368 GeH3CH3 methyl germane geh3ch3  
369 C2H7+ Ethane, protonated c2h7+  
370 LiN Lithium Nitride lin  
371 LiN+ Lithium Nitride cation lin+  
372 LiP Lithium monophosphide lip  
373 BeN Beryllium mononitride ben  
374 BeN- Beryllium mononitride anion ben-  
375 BeN+ Beryllium mononitride cation ben+  
376 MgN Magnesium Nitride mgn  
377 BN- boron nitride anion bn-  
378 AlN- aluminum mononitride anion aln-  
379 AlN+ aluminum mononitride cation aln+  
380 BP Boron monophosphide bp  
381 AlP Aluminum monophosphide alp  
382 GaN Gallium mononitride gan  
383 GaP Gallium monophosphide gap  
384 GaAs Gallium arsenide gaas  
385 BN boron nitride bn  
386 BN+ boron nitride cation bn+  
387 AlN Aluminum nitride aln  
388 CN Cyano radical cn  
389 CN- cyanide anion cn-  
390 CN+ Cyano cation cn+  
391 CP Carbon monophosphide cp  
392 CP- carbon monophosphide anion cp-  
393 CP+ carbon monophosphide cation cp+  
394 SiN Silicon nitride sin  
395 SiN- silicon mononitride anion sin-  
396 SiN+ silicon mononitride cation sin+  
397 SiP Silicon monophosphide sip  
398 SiP- Silicon monophosphide anion sip-  
399 SiP+ Silicon monophosphide cation sip+  
400 TiN Titanium mononitride tin  
401 N2- nitrogen diatomic anion n2-  
402 N2+ diatomic nitrogen cation n2+  
403 PN Phosphorus mononitride pn  
404 PN- phosphorus nitride anion pn-  
405 PN+ phosphorus nitride cation pn+  
406 P2 Phosphorus diatomic p2  
407 P2- phosphorus diatomic anion p2-  
408 P2+ phosphorus diatomic cation p2+  
409 AsN Arsenic mononitride asn  
410 AsP Arsenic monophosphide asp  
411 SbN Antimony nitride sbn  
412 As2 Arsenic diatomic as2  
413 HNB hydrogen nitrogen boron hnb  
414 HNC hydrogen isocyanide hnc  
415 HCN Hydrogen cyanide hcn  
416 HCN- Hydrogen cyanide anion hcn-  
417 HCN+ hydrogen cyanide cation hcn+  
418 HNC+ hydrogen isocyanide cation hnc+  
419 HCP Phosphaethyne hcp  
420 HCP+ Phosphaethyne cation hcp+  
421 NNH Dinitrogen monohydride nnh  
422 NNH+ Dinitrogen monohydride cation nnh+  
423 HPO Hydrogen phosphorus oxide hpo  
424 HPO+ Hydrogen phosphorus oxide cation hpo+  
425 LiNH2 lithium amide linh2  
426 HBNH Boranimine hbnh  
427 CNH2 Aminomethylidyne radical cnh2  
428 CNH2+ N-protonated hydrogen isocyanide cnh2+  
429 H2CN Dihydrogen cyanide radical h2cn  
430 H2CN+ hydrocyanonium cation h2cn+  
431 HCNH methyleneazane hcnh  
432 HCNH+ N-protonated HCN hcnh+  
433 H2NN Isodiazene h2nn  
434 N2H2 (E)-diazene n2h2  
435 N2H2 (Z)-Diazene n2h2z  
436 N2H2+ trans-diazene cation n2h2+  
437 CH2NH Methanimine ch3n  
438 CH2NH+ Methanimine cation ch2nh+  
439 CHNH2 aminomethylene chnh2  
440 CHNH2+ Aminocarbene cation chnh2+  
441 CH2PH Phosphaethene ch3p  
442 BH2NH2 Boranamine bh2nh2  
443 CH2NH2+ methyleneamine cation ch2nh2+  
444 N2H4 Hydrazine n2h4  
445 N2H4+ hydrazine cation n2h4+  
446 P2H4 Diphosphine p2h4  
447 CH3NH2+ methyl amine cation ch3nh2+  
448 CH3PH2 Methyl phosphine ch3ph2  
449 SiH3NH2 Silane, amino sih3nh2  
450 N2H5+ protonated hydrazine n2h5+  
451 BH3PH3 borane phosphine bh3ph3  
452 BH3NH3 borane ammonia bh3nh3  
453 CH3NH3 methyl ammonium radical ch3nh3  
454 CH3NH3+ protonated methylamine ch3nh3+  
455 CH3PH3+ methyl phosphine, protonated ch3ph3+  
456 NH3NH3 Ammonia Dimer nh3nh3  
457 N2H7+ ammonia ammonium dimer n2h7+  
458 LiO lithium oxide lio  
459 LiO- lithium oxide anion lio-  
460 LiO+ lithium oxide cation lio+  
461 LiS Lithium monosulfide lis  
462 LiS+ Lithium sulfide cation lis+  
463 NaO sodium monoxide nao  
464 NaO- sodium oxide anion nao-  
465 NaO+ sodium oxide cation nao+  
466 KO Potassium monoxide ko  
467 KO+ Potassium monoxide cation ko+  
468 NaS Sodium sulfide nas  
469 CuO Copper Monoxide cuo  
470 LiSe Lithium monoselenide lise  
471 BeO beryllium oxide beo  
472 BeO- Beryllium monoxide anion beo-  
473 BeO+ Beryllium monoxide cation beo+  
474 BeS beryllium sulfide bes  
475 MgO magnesium oxide mgo  
476 MgO- magnesium oxide anion mgo-  
477 MgO+ magnesium oxide cation mgo+  
478 CaO Calcium monoxide cao  
479 MgS magnesium sulfide mgs  
480 MgS- magnesium sulfide anion mgs-  
481 MgS+ magnesium sulfide cation mgs+  
482 CaS Calcium sulfide cas  
483 ZnO zinc monoxide zno  
484 ZnS Zinc sulfide zns  
485 BeS- Beryllium monosulfide anion bes-  
486 BeS+ Beryllium monosulfide cation bes+  
487 BO boron monoxide bo  
488 BO- boron monoxide anion bo-  
489 AlO Aluminum monoxide alo  
490 AlO- Aluminum monoxide anion alo-  
491 AlO+ aluminum monoxide cation alo+  
492 BS boron sulfide bs  
493 BS- boron monosulfide anion bs-  
494 BS+ boron monosulfide cation bs+  
495 AlS Aluminum sulfide als  
496 AlS- aluminum monosulfide anion als-  
497 AlS+ aluminum monosulfide cation als+  
498 ScO Scandium monoxide sco  
499 GaO Gallium monoxide gao  
500 GaS Gallium monosulfide gas  
501 BO+ boron monoxide cation bo+  
502 CO- carbon monoxide anion co-  
503 CO+ carbon monoxide cation co+  
504 CS carbon monosulfide cs  
505 CS- carbon monosulfide anion cs-  
506 CS+ carbon monosulfide cation cs+  
507 SiO Silicon monoxide sio  
508 SiO- silicon monoxide anion sio-  
509 SiO+ silicon monoxide cation sio+  
510 SiS silicon monosulfide sis  
511 SiS- silicon monosulfide anion sis-  
512 SiS+ silicon monosulfide cation sis+  
513 TiO Titanium monoxide tio  
514 CSe Carbon monoselenide cse  
515 CSe- Carbon monoselenide anion cse-  
516 CSe+ Carbon monoselenide cation cse+  
517 GeO Germanium monoxide geo  
518 GeO+ Germanium monoxide cation geo+  
519 GeS Germanium monosulfide ges  
520 SiSe Silicon Monoselenide sise  
521 SiSe+ Silicon Monoselenide cation sise+  
522 GeSe Germanium monoselenide gese  
523 NO- nitric oxide anion no-  
524 NO+ nitric oxide cation no+  
525 NS Mononitrogen monosulfide ns  
526 NS- nitrogen sulfide anion ns-  
527 NS+ nitrogen sulfide cation ns+  
528 PO Phosphorus monoxide po  
529 PO- phosphorus monoxide anion po-  
530 PO+ phosphorus monoxide cation po+  
531 PS phosphorus sulfide ps  
532 PS- phosphorus monosulfide anion ps-  
533 PS+ phosphorus monosulfide cation ps+  
534 VO Vanadium monoxide vo  
535 AsO Arsenic monoxide aso  
536 NSe Nitrogen monoselenide nse  
537 AsS Arsenic monosulfide ass  
538 PSe Phosphorus monoselenide pse  
539 AsSe Arsenic monoselenide asse  
540 O2- oxygen diatomic anion o2-  
541 O2-- dioxygen dianion o2--  
542 O2+ diatomic oxygen cation o2+  
543 SO Sulfur monoxide so  
544 SO- sulfur monoxide anion so-  
545 SO+ sulfur monoxide cation so+  
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 HBS hydrogen boron sulfide hbs  
567 COH Hydroxymethylidyne coh  
568 COH+ Carbon Monoxide, protonated coh+  
569 HCO Formyl radical hco  
570 HCO- formyl anion hco-  
571 HCO+ Formyl cation hco+  
572 HCS Thioformyl radical hcs  
573 HCS- Thioformyl anion hcs-  
574 HCS+ Thioformyl cation hcs+  
575 HNO Nitrosyl hydride hno  
576 HNO- Nitrosyl hydride anion hno-  
577 HNO+ Nitrosyl hydride cation hno+  
578 NOH Hydroxyimidogen noh  
579 NOH+ O-protonated nitric oxide noh+  
580 HNS Sulfur imide hns  
581 HNS- Sulfur imide anion hns-  
582 HO2 Hydroperoxy radical ho2  
583 HO2- Hydroperoxy anion ho2-  
584 HO2+ Hydroperoxy cation ho2+  
585 HSO+ Sulfur Monoxide, S-protonated HSO+  
586 SOH Sulfur Hydroxide soh  
587 SOH+ Sulfur Monoxide, protonated soh+  
588 HS2 Thiosulfeno radical hs2  
589 H2CO- formaldehyde anion h2co-  
590 H2CO+ formaldehyde cation h2co+  
591 HOCH hydroxycarbene hoch  
592 H2CS Thioformaldehyde h2cs  
593 H2CS- thioformaldehyde anion h2cs-  
594 H2CS+ thioformaldehyde cation h2cs+  
595 H2CSe Selenoformaldehyde h2cse  
596 H2NO nitroxide h2no  
597 H2O2 Hydrogen peroxide h2o2  
598 H2O2+ Hydrogen peroxide cation h2o2+  
599 H2OO water oxide h2oo  
600 HOSH hydrogen thioperoxide hosh  
601 H2S2 Disulfane h2s2  
602 H2S2+ hydrogen disulfide cation h2s2+  
603 H2Se2 hydrogen diselenide h2se2  
604 CH2OH Hydroxymethyl radical ch2oh  
605 CH2OH+ hydroxymethyl cation ch2oh+  
606 CH3O Methoxy radical ch3o  
607 CH3O- methoxy anion ch3o-  
608 CH3O+ Methoxy cation ch3o+  
609 CH3S thiomethoxy ch3s  
610 H2CSH+ Thioformaldehyde, protonated h2csh+  
611 NH2OH hydroxylamine nh2oh  
612 NH2OH+ Hydroxylamine cation nh2oh+  
613 NH3O Ammonia Oxide nh3o  
614 H2POH Phosphinous acid h2poh  
615 H3PO Phosphine oxide h3po  
616 NH2SH Thiohydroxylamine nh2sh  
617 NH3S sulfidoazane nh3s  
618 H3O2+ hydrogen peroxide, protonated h3o2+  
619 CH3OH- Methyl alcohol anion ch3oh-  
620 CH3OH+ Methyl alcohol cation ch3oh+  
621 CH3SH Methanethiol ch3sh  
622 CH3SH+ Methanethiol cation ch3sh+  
623 SiH3OH silanol sih3oh  
624 CH3SeH Methane selenol ch3seh  
625 NH2OH2+ protonated hydroxylamine nh2oh2+  
626 NH3OH+ N-protonated hydroxylamine nh3oh+  
627 H2OH2O water dimer h2oh2o  
628 CH3OH2+ Methanol, protonated ch3oh2+  
629 CH3SH2+ protonated methylsulfide ch3sh2+  
630 H2ONH3 Water Ammonia Dimer h2onh3  
631 H5O2+ Dihydroxonium ion h5o2+  
632 LiF lithium fluoride lif  
633 LiCl lithium chloride licl  
634 LiCl- lithium chloride anion licl-  
635 LiCl+ lithium chloride cation licl+  
636 NaF sodium fluoride naf  
637 NaF- sodium fluoride anion naf-  
638 NaF+ sodium fluoride cation naf+  
639 KF Potassium Fluoride kf  
640 NaCl Sodium Chloride nacl  
641 NaCl- sodium chloride anion nacl-  
642 NaCl+ sodium chloride cation nacl+  
643 KCl Potassium Chloride kcl  
644 CuF Copper monofluoride cuf  
645 LiBr Lithium Bromide libr  
646 LiBr- lithium bromide anion libr-  
647 LiBr+ lithium bromide cation libr+  
648 CuCl Copper monochloride cucl  
649 NaBr Sodium Bromide nabr  
650 NaBr- sodium bromide anion nabr-  
651 NaBr+ sodium bromide cation nabr+  
652 KBr Potassium Bromide kbr  
653 LiI Lithium Iodide lii  
654 NaI Sodium Iodide nai  
655 KI Potassium Iodide ki  
656 LiF- lithium fluoride anion lif-  
657 LiF+ lithium fluoride cation lif+  
658 BeF Beryllium monofluoride bef  
659 BeF- Beryllium monofluoride anion bef-  
660 BeF+ Beryllium monofluoride cation bef+  
661 BeCl beryllium monochloride becl  
662 MgF Magnesium monofluoride mgf  
663 MgF- magnesium fluoride anion mgf-  
664 MgF+ magnesium fluoride cation mgf+  
665 CaF Calcium monofluoride caf  
666 MgCl magnesium monochloride mgcl  
667 MgCl- magnesium monochloride anion mgcl-  
668 MgCl+ magnesium monochloride cation mgcl+  
669 CaCl calcium monochloride cacl  
670 TiCl Titanium Monochloride ticl  
671 ZnF Zinc monofluoride znf  
672 ZnF- Zinc monofluoride anion znf-  
673 ZnF+ Zinc monofluoride cation znf+  
674 ZnCl Zinc monochloride zncl  
675 CaBr Calcium monobromide cabr  
676 BeCl- beryllium monochloride anion becl-  
677 BeCl+ beryllium monochloride cation becl+  
678 BF Boron monofluoride bf  
679 BF- Boron monofluoride anion bf-  
680 BF+ Boron monofluoride cation bf+  
681 AlF Aluminum monofluoride alf  
682 AlF- Aluminum monofluoride anion alf-  
683 AlF+ Aluminum monofluoride cation alf+  
684 BCl boron monochloride bcl  
685 BCl- boron monochloride anion bcl-  
686 BCl+ boron monochloride cation bcl+  
687 AlCl Aluminum monochloride alcl  
688 AlCl- aluminum monochloride anion alcl-  
689 AlCl+ aluminum monochloride cation alcl+  
690 ScF Scandium monofluoride scf  
691 BBr Boron monobromide bbr  
692 GaF Gallium monofluoride gaf  
693 GaF+ Gallium monofluoride cation gaf+  
694 AlBr Aluminum monobromide albr  
695 GaCl Gallium monochloride gacl  
696 GaCl+ Gallium monochloride cation gacl+  
697 AlI Aluminum monoiodide ali  
698 GaBr Gallium monobromide gabr  
699 CF- carbon monofluoride anion cf-  
700 CF+ carbon monofluoride cation cf+  
701 CCl carbon monochloride ccl  
702 CCl- carbon monochloride anion ccl-  
703 CCl+ carbon monochloride cation ccl+  
704 SiF silicon monofluoride sif  
705 SiF- silicon monofluoride anion sif-  
706 SiF+ silicon monofluoride cation sif+  
707 SiCl Clorosilylidyne sicl  
708 SiCl- silicon monochloride anion sicl-  
709 SiCl+ silicon monochloride cation sicl+  
710 CBr Carbon monobromide cbr  
711 GeF Germanium monofluoride gef  
712 GeF+ Germanium monofluoride cation gef+  
713 GeCl Germanium monochloride gecl  
714 GeCl+ Germanium monochloride cation gecl+  
715 SiBr Silicon monobromide sibr  
716 SiBr+ Silicon monobromide cation sibr+  
717 NF nitrogen fluoride nf  
718 NF- nitrogen monofluorine anion nf-  
719 NF+ nitrogen monofluoirde cation nf+  
720 NCl nitrogen monochloride ncl  
721 NCl- nitrogen monochloride anion ncl-  
722 NCl+ nitrogen monochloride cation ncl+  
723 PF phosphorus monofluoride pf  
724 PF- phosphorus monofluoride anion pf-  
725 PF+ phosphorus monofluoride cation pf+  
726 PCl phosphorus chloride pcl  
727 PCl- phosphorus monochloride anion pcl-  
728 PCl+ phosphorus monochloride cation pcl+  
729 AsF Arsenic monofluoride asf  
730 NBr nitrogen monobromide nbr  
731 AsCl Arsenic monochloride ascl  
732 PBr Phosphorus monobromide pbr  
733 SbF Antimony monofluoride sbf  
734 SbCl Antimony monochloride sbcl  
735 FO Oxygen monofluoride fo  
736 FO- flourine oxide anion fo-  
737 FO+ fluorine monoxide cation fo+  
738 ClO Monochlorine monoxide clo  
739 ClO- chlorine monoxide anion clo-  
740 ClO+ chlorine monoxide cation clo+  
741 SF Monosulfur monofluoride sf  
742 SF- sulfur monofluoride anion sf-  
743 SF+ sulfur monofluoride cation sf+  
744 SCl sulfur monochloride scl  
745 SCl- sulfur monochloride anion scl-  
746 SCl+ sulfur monochloride cation scl+  
747 BrO Bromine monoxide bro  
748 BrO- Bromine monoxide anion bro-  
749 BrO+ Bromine monoxide cation bro+  
750 SeF Selenium monofluoride sef  
751 SBr Sulfur monobromide radical sbr  
752 SBr+ Sulfur monobromide cation sbr+  
753 SeCl Selenium monochloride secl  
754 IO Iodine monoxide io  
755 SeBr Selenium monobromide sebr  
756 BrCl Bromine monochloride brcl  
757 F2- flourine diatomic anion f2-  
758 F2+ flourine diatomic cation f2+  
759 ClF Chlorine monofluoride clf  
760 ClF- clorine monofluoride anion clf-  
761 ClF+ clorine monofluoride cation clf+  
762 Cl2- chlorine diatomic anion cl2-  
763 Cl2+ chlorine diatomic cation cl2+  
764 BrF Bromine monofluoride brf  
765 BrF- bromine fluoride anion brf-  
766 BrF+ bromine fluoride cation brf+  
767 BrCl- bromine chloride anion brcl-  
768 BrCl+ bromine chloride cation brcl+  
769 IF Iodine monofluoride if  
770 Br2 Bromine diatomic br2  
771 Br2- bromine diatomic anion br2-  
772 Br2+ bromine diatomic cation br2+  
773 ICl Iodine monochloride icl  
774 IBr Iodine monobromide ibr  
775 I2 Iodine diatomic i2  
776 I2+ Iodine diatomic cation i2+  
777 HCF Fluoromethylene hcf  
778 HCCl Chloromethylene hccl  
779 HSiF fluorosilylene hsif  
780 HSiCl Chlorosilylene hsicl  
781 HSiBr monobromosilylene hsibr  
782 CHBr bromomethylene chbr  
783 DOCl Hypochlorous acid-d docl  
784 HOCl hypochlorous acid hocl  
785 HOCl+ hypochlorous acid cation hocl+  
786 HOBr Hypobromous acid hobr  
787 HOBr+ Hypobromous acid cation hobr+  
788 HOI Hypoiodous acid hoi  
789 F2H+ Fluorine, protonated f2h+  
790 FHF Hydrogen difluoride fhf  
791 FHF- Hydrogen difluoride anion fhf-  
792 ClFH+ Chlorine fluoride, F-protonated clfh+  
793 FClH+ Chlorine fluoride, Cl-protonated fclh+  
794 Cl2H+ Chlorine, protonated cl2h+  
795 CH2Br bromomethyl radical ch2br  
796 CH2F fluoromethyl radical ch2f  
797 CH2F+ fluoromethyl cation ch2f+  
798 CH2Cl+ chloromethyl cation ch2cl+  
799 CH2Cl chloromethyl radical ch2cl  
800 NH2F monofluoroamine nh2f  
801 NH2Cl chloramine nh2cl  
802 H2F2 Hydrogen fluoride dimer h2f2  
803 CH3F+ methyl fluoride cation ch3f+  
804 CD3F methylfluoride-d3 cd3f  
805 CD3Cl methyl chloride d3 cd3cl  
806 CH3Cl+ Methyl chloride cation ch3cl+  
807 SiH3F monofluorosilane sih3f  
808 SiH3Cl chlorosilane sih3cl  
809 CH3Br methyl bromide ch3br  
810 GeH3F monofluorogermane geh3f  
811 GeH3Cl monochlorogermane geh3cl  
812 SiH3Br bromosilane sih3br  
813 CH3I methyl iodide ch3i  
814 SiH3I Silyl Iodide sih3i  
815 NH3Cl+ protonated monochloroammonia nh3cl+  
816 CH3ClH+ methyl chloride, protonated ch3clh+  
817 NH4Cl Ammonium chloride nh4cl  
818 LiNe+ Lithium Neon cation line+  
819 Ne2 Neon diatomic ne2  
820 Ne2+ Neon diatomic cation ne2+  
821 Ar2 Argon diatomic ar2  
822 Ar2+ Argon diatomic cation ar2+  
823 Li3 Lithium trimer li3  
824 Li3+ Lithium trimer cation li3+  
825 C3 carbon trimer c3  
826 C3+ carbon trimer cation c3+  
827 SiC2 Silicon dicarbide sic2  
828 C3H3 cyclopropenyl radical cpr  
829 C3H3 Propargyl radical propargyl  
830 C3H3- Propargyl anion c3h3-  
831 C3H3+ cyclopropenyl cation cpr+  
832 C3H3+ Propargyl cation c3h3+  
833 C3H4 cyclopropene cprop  
834 CH3CCH propyne propyne  
835 C3H5 Allyl radical allyl  
836 C3H5+ Allyl cation allyl+  
837 CH3CHCH 1-propenyl radical ch3chch  
838 Zn(CH3)2 dimethyl zinc dmz  
839 CH2CHCH3 Propene propene  
840 C3H7 n-Propyl radical npropyl  
841 C3H7+ cyclopropane, protonated c3h7+  
842 CH3CHCH3 Isopropyl radical isopropyl  
843 CH3CHCH3+ Isopropyl cation prop2yl+  
844 SiH2(CH3)2 dimethylsilane dms  
845 Si3H8 trisilane si3h8  
846 LiCN lithium cyanide licn  
847 NaCN Sodium Cyanide nacn  
848 KCN Potassium cyanide kcn  
849 CuCN Copper cyanide cucn  
850 ZnCN Zinc monocyanide zncn  
851 ZnNC Zinc isocyanide znnc  
852 AlCN Aluminum monocyanide alcn  
853 AlNC Aluminum isocyanide alnc  
854 CN2 3H-Diazirin-3-ylidene cn2  
855 CNN Diazocarbene cnn  
856 NCN Cyanoimidogen ncn  
857 N3 azide radical n3  
858 N3- azide anion n3-  
859 N3+ azide cation n3+  
860 HCCN cyanomethylene hccn  
861 HCNN diazomethyl radical hcnn  
862 HN3 hydrogen azide hn3  
863 HN3+ Hydrazoic acid cation hn3+  
864 HNCNH diiminomethane hncnh  
865 CH2N2 diazirine ch2n2  
866 CH2NN diazomethane ch2nn  
867 NH2CN cyanamide cyanamide  
868 HNNNH+ 1,2-Triazadienium n2h3+  
869 NH2NN+ hydrazoic acid, protonated nh2nn+  
870 CH3CN Acetonitrile ch3cn  
871 CH3CN- acetonitrile anion ch3cn-  
872 CH3CN+ Acetonitrile cation ch3cn+  
873 CH3NC methyl isocyanide ch3nc  
874 CHNCH2 2H-Azirine c157164  
875 CHNHCH 1H-Azirine chnhch  
876 H2CCNH Ethenimine ch2cnh  
877 H2CNCH methyleneaminomethylene ch2nch  
878 HCCNH2 Ethynamine hccnh2  
879 HCNCH2+ 2H-Azirine cation hcnch2+  
880 HNCNH2+ diiminomethane, protonated hncnh2+  
881 NCNH3+ Cyanamide, protonated ncnh3+  
882 NH2CNH+ cyanamide, cn protonated nh2cnh+  
883 NH3CN+ cyanamide, amine protonated nh3cn+  
884 CH2CHNH vinylazine ch2chnh  
885 CH3CHN methylmethaniminyl radical ch3chn  
886 NHCHNH2 aminomethanimine cn2h4  
887 C2H5N Aziridine c2h5n  
888 CH2CHNH2 aminoethene aminoethene  
889 CH2NCH3 N-methylmethanimine nmm  
890 CH3CHNH ethanimine ethanimine  
891 NH2BHNH2 diaminoborane nh2bhnh2  
892 C2H5NH+ Protonated Aziridine c2h5nh+  
893 C2H6N+ aziridine, protonated c2h6n+  
894 NH2CH2NH2 diaminomethane nh2ch2nh2  
895 CH3CH2NH2 Ethylamine etam  
896 CH3PHCH3 dimethylphosphine ch3phch3  
897 NH2CH2NH3+ diaminoethane, protonated pdam  
898 (CH3)2NH2+ dimethylammonium cation dmam  
899 CH3CH2NH3+ ethylamine, protonated pea  
900 Li2O dilithium oxide li2o  
901 Li2O+ dilithium oxide cation li2o+  
902 Li2S dilithium sulfide li2s  
903 Na2O disodium monoxide na2o  
904 Na2S Sodium sulfide na2s  
905 LiO2 Lithium dioxide lio2  
906 NaO2 Sodium superoxide nao2  
907 CCO Dicarbon monoxide cco  
908 CNO- fulminate cno-  
909 NCO isocyanato radical nco  
910 NCO- cyanate nco-  
911 SCN thiocyanato radical scn  
912 SCN- thiocyanide anion scn-  
913 BO2 Boron dioxide bo2  
914 BO2- Boron dioxide anion bo2-  
915 BO2+ Boron dioxide cation bo2+  
916 N2O- Nitrous oxide anion n2o-  
917 N2O+ Nitrous oxide cation n2o+  
918 NNS Nitrogen sulfide nns  
919 PPO Phosphorus oxide phosphide ppo  
920 CO2- Carbon dioxide anion co2-  
921 CO2+ Carbon dioxide cation co2+  
922 OCS Carbonyl sulfide cos  
923 OCS+ Carbonyl sulfide cation cos+  
924 SiO2 silicon dioxide sio2  
925 CS2 Carbon disulfide cs2  
926 CS2- Carbon disulfide anion cs2-  
927 CS2+ Carbon disulfide cation cs2+  
928 TiO2 Titanium dioxide tio2  
929 SiS2 Silicon disulfide sis2  
930 GeO2 Germanium dioxide geo2  
931 OCSe Carbonyl selenide ocse  
932 SCSe Carbon sulfide selenide scse  
933 GeS2 Germanium disulfide ges2  
934 CSe2 Carbon diselenide cse2  
935 SCTe Carbon sulfide Telluride scte  
936 NO2- Nitrogen dioxide anion no2-  
937 NO2+ Nitrogen dioxide cation no2+  
938 NSO sulfinyl amidogen NSO  
939 PO2 Phosphorus dioxide po2  
940 PO2- Phosphorus dioxide anion po2-  
941 PO2+ Phosphorus dioxide cation po2+  
942 SNO Nitrogen oxide sulfide sno  
943 AsO2 Aresenic dioxide aso2  
944 O3 Ozone o3  
945 O3- Ozone anion o3-  
946 O3+ Ozone cation o3+  
947 SO2- Sulfur dioxide anion so2-  
948 SO2+ Sulfur dioxide cation so2+  
949 SSO Disulfur monoxide sso  
950 S3 Sulfur trimer s3  
951 S3- Sulfur trimer anion s3-  
952 S3+ Sulfur trimer cation s3+  
953 SeO2 Selenium dioxide seo2  
954 SeO2+ Selenium dioxide cation seo2+  
955 TeO2 Tellurium Dioxide teo2  
956 HCCO ketenyl radical ketenyl  
957 CS2H+ Carbon disulfide, protonated cs2h+  
958 HCNO fulminic acid hcno  
959 HNCO Isocyanic acid hnco  
960 HOCN cyanic acid hocn  
961 HNCS Isothiocyanic acid hncs  
962 HSCN thiocyanic acid hscn  
963 HCO2- formate anion hco2-  
964 HNNO nitrosoazane hnno  
965 HNNO+ Nitrous oxide, N-protonated hnno+  
966 NNOH+ Nitrous Oxide, O-protonated nnoh+  
967 HCOO formate neutral radical hcoo  
968 HOCO Hydrocarboxyl radical hoco  
969 HOCO+ Hydrocarboxyl cation hoco+  
970 HNO2 Nitrous acid hno2  
971 HNO2+ nitrous acid cation hno2+  
972 O3H+ protonated ozone o3h+  
973 SO2H+ protonated sulfur dioxide so2h+  
974 C2H2O Oxirene oxirene  
975 CH2CO Ketene ch2co  
976 CH2CO+ Ketene cation ch2co+  
977 HCCOH ethynol hccoh  
978 CH2CS Thioketene ch2cs  
979 Be(OH)2 Beryllium hydroxide beo2h2  
980 Mg(OH)2 Magnesium dihydroxide h2mgo2  
981 NH2NO Nitrosamide nh2no  
982 CH2O2 Dioxirane diox  
983 H2COO Dioxymethyl radical h2coo  
984 H2COO+ dioxymethyl cation h2coo+  
985 H2O3 Hydrogen trioxide h2o3  
986 HSSSH trisulfane hsssh  
987 NaOCH3 Sodium methoxide naoch3  
988 CH2BOH hydroxy(methylene)borane ch2boh  
989 BH3CO Borane carbonyl bh3co  
990 CH3BO Borane, methyloxo- ch3bo  
991 CH2CHO Vinyloxy radical ch2cho  
992 CH2COH+ ketene, protonated ch2coh+  
993 CH3CO Acetyl radical ch3co  
994 CH3CO- Acetyl anion ch3co-  
995 CH3CO+ acetyl cation ch3co+  
996 CH2NOH formaldoxime ch2noh  
997 CH3NO nitrosomethane ch3no  
998 CHONH2 formamide formamide  
999 CNOH3 1,2-oxaziridine cnoh3  
1000 HOCHNH hydroxymethylimine hochnh  
1001 CHSNH2 thioformamide chsnh2  
1002 NHCHSH Methanimidothioic acid nhchsh  
1003 CH2OOH CH2OOH radical ch2ooh  
1004 CH3OO methylperoxy radical ch3oo  
1005 CH3OO- methylperoxy anion ch3oo-  
1006 CH3OO+ methylperoxy cation ch3oo+  
1007 C2H4O Ethylene oxide c2h4o  
1008 C2H4O+ ethylene oxide cation c2h4o+  
1009 CH2CHOH ethenol ch2choh  
1010 CH3CHO+ acetaldehyde cation ch3cho+  
1011 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1012 C2H4S Thiirane thiirane  
1013 CH2CHSH Ethenethiol ch2chsh  
1014 CH3CHS Thioacetaldehyde ch3chs  
1015 H2CONH2+ protonated formamide h2conh2+  
1016 NH2CHOH+ Formamide, O-protonated nh2choh+  
1017 NH3CHO+ Formamide, N-Protonated nh3cho+  
1018 CH2(OH)2 methanediol ch2o2h2  
1019 CH3OOH Methyl peroxide ch3ooh  
1020 CH3SSH Hydrogen methyl disulfide ch3ssh  
1021 HSCH2SH Methanedithiol ch4s2  
1022 H2OH2CO water formaldehyde dimer h2oh2co  
1023 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1024 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1025 CH3CH2O Ethoxy radical ethoxy  
1026 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1027 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1028 CH3OCH2 methoxymethyl radical ch3och2  
1029 NH2CH2OH aminomethanol nh2ch2oh  
1030 CH3CH2SH ethanethiol etsh  
1031 CH3SCH3+ dimethyl sulfide cation mesme+  
1032 CH3SeCH3 dimethylselenide dmse  
1033 CH3OHH2O methanol water dimer ch3ohh2o  
1034 H2OCH3OH water methanol dimer h2och3oh  
1035 CuF2 Copper difluoride cuf2  
1036 ZnF2 Zinc difluoride znf2  
1037 CNF iso cyanogen fluoride cnf  
1038 FCN Cyanogen fluoride fcn  
1039 ClCN chlorocyanogen clcn  
1040 BrCN Cyanogen bromide brcn  
1041 ICN Cyanogen iodide icn  
1042 FBO Boron monofluoride monoxide fbo  
1043 BeF2 Beryllium fluoride bef2  
1044 MgF2 Magnesium fluoride mgf2  
1045 BeCl2 Beryllium chloride becl2  
1046 MgCl2 Magnesium dichloride mgcl2  
1047 CaCl2 Calcium Chloride cacl2  
1048 ZnCl2 Zinc dichloride zncl2  
1049 BeBr2 Beryllium bromide bebr2  
1050 CaBr2 Calcium dibromide cabr2  
1051 CaF2 Calcium difluoride caf2  
1052 FCO Carbonyl fluoride fco  
1053 FCO+ Carbonyl fluoride cation fco+  
1054 ClCO carbonyl monochloride clco  
1055 BF2 Boron difluoride radical bf2  
1056 FNO Nitrosyl fluoride fno  
1057 ClNO Nitrosyl chloride clno  
1058 FNS Thionitrosyl fluoride fns  
1059 FSN Thiazyl fluoride fsn  
1060 OPCl Phosphorus oxychloride opcl  
1061 BrNO Nitrosyl bromide brno  
1062 INO Nitrosyl iodide ino  
1063 CF2- Difluoromethylene anion cf2-  
1064 CF2+ Difluoromethylene cation cf2+  
1065 CFCl chlorofluoromethylene cfcl  
1066 SiF2 Silicon difluoride sif2  
1067 SiF2+ Silicon difluoride cation sif2+  
1068 CCl2 dichloromethylene ccl2  
1069 CCl2- dichloromethylene anion ccl2-  
1070 CCl2+ dichloromethylene cation ccl2+  
1071 SiCl2 Dichlorosilylene sicl2  
1072 GeF2 Germanium difluoride gef2  
1073 GeCl2 Germanium dichloride gecl2  
1074 CBr2 dibromomethylene cbr2  
1075 FOO Dioxygen monofluoride radical foo  
1076 FOO+ Fluorine dioxide cation foo+  
1077 ClOO chloroperoxy radical cloo  
1078 ClOO+ chloroperoxy cation cloo+  
1079 OClO Chlorine dioxide oclo  
1080 OClO- Chlorine dioxide anion oclo-  
1081 OClO+ Chlorine dioxide cation oclo+  
1082 ClSO Sulfur chloride oxide clso  
1083 ClS2 Sulfur chloride cls2  
1084 BrOO Bromine dioxide broo  
1085 OBrO Bromine dioxide radical obro  
1086 NF2 Difluoroamino radical nf2  
1087 NF2+ Difluoroamino cation nf2+  
1088 PF2 Phosphorus difluoride pf2  
1089 PF2+ Phosphorus difluoride cation pf2+  
1090 FClO chlorosyl fluoride fclo  
1091 F2O Difluorine monoxide f2o  
1092 ClOF Chlorine hypofluorite clof  
1093 SF2 sulfur difluoride sf2  
1094 SF2- sulfur difluoride anion sf2-  
1095 SF2+ sulfur difluoride cation sf2+  
1096 Cl2O Dichlorine monoxide cl2o  
1097 SCl2 Sulfur dichloride scl2  
1098 SeF2 Selenium difluoride sef2  
1099 BrOCl Bromine hypochlorite brocl  
1100 SeCl2 Selenium Dichloride secl2  
1101 SBr2 Sulfur dibromide sbr2  
1102 SeBr2 Selenium dibromide sebr2  
1103 BrOBr Bromine oxide brobr  
1104 F3- trifluoride anion f3-  
1105 Cl3- trichloride anion cl3-  
1106 Br3- tribromide anion br3-  
1107 I3- triiodide i3-  
1108 SFCl Sulfur chloride fluoride sfcl  
1109 HCCF+ fluoroacetylene cation hccf+  
1110 HCCCl Chloroacetylene hcccl  
1111 HCCBr bromoacetylene hccbr  
1112 HFCO formyl fluoride hfco  
1113 HFCO+ formyl fluoride cation hfco+  
1114 COHCl Formyl chloride cohcl  
1115 COHBr Formyl bromide cohbr  
1116 BHF2 Difluoroborane bhf2  
1117 BHCl2 Borane, dichloro- bhcl2  
1118 CHCl2 dichloromethyl radical chcl2  
1119 CHF2 difluoromethyl radical chf2  
1120 CHF2+ difluoromethyl cation chf2+  
1121 CHFCl Chlorofluoromethyl radical chfcl  
1122 CHFCl+ Chlorofluoromethyl cation chfcl+  
1123 CHCl2+ dichloromethyl cation chcl2+  
1124 CHBr2 dibromomethyl radical chbr2  
1125 HOClO Chlorous acid hoclo  
1126 NHF2 difluoramine nhf2  
1127 NHCl2 dichloroamine nhcl2  
1128 CH2FCl fluorochloromethane ch2fcl  
1129 SiH2F2 difluorosilane sih2f2  
1130 CH2BrF Methane, bromofluoro- ch2fbr  
1131 CH2BrCl Methane, bromochloro- ch2clbr  
1132 CH2FI fluoroiodomethane ch2fi  
1133 CH2Br2 dibromomethane ch2br2  
1134 CH2ClI chloroiodomethane ch2cli  
1135 CH2BrI bromoiodomethane ch2bri  
1136 CH2I2 Diiodomethane ch2i2  
1137 SiH2Cl2 dichlorosilane sih2cl2  
1138 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1139 CH2CHF Ethene, fluoro- ch2chf  
1140 CH2CHF+ fluoroethene cation ch2chf+  
1141 C2H3Cl Ethene, chloro- ch2chcl  
1142 C2H3Br vinyl bromide c2h3br  
1143 C2H3I Vinyl iodide c2h3i  
1144 CH2FOH fluoromethanol ch2foh  
1145 CH3OCl methyl hypochlorite ch3ocl  
1146 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1147 CHClCH3 1-chloroethyl radical chclch3  
1148 C2H5F fluoroethane c2h5f  
1149 CH3CH2Cl Ethyl chloride c2h5cl  
1150 CH3SiFH2 fluoromethylsilane ch3sifh2  
1151 C2H5Br Ethyl bromide etbr  
1152 C2H5I Ethyl iodide c2h5i  
1153 KrF2 Krypton difluoride krf2  
1154 XeF2 Xenon difluoride xef2  
1155 B4H10 Tetraborane(10) b4h10  
1156 C4 Carbon tetramer c4  
1157 C4+ Carbon tetramer cation c4+  
1158 C4H2 Diacetylene c4h2  
1159 C4H2+ diacetlyene cation c4h2+  
1160 C2H3CCH 1-Buten-3-yne c2h3cch  
1161 C4H4 cyclobutadiene cbd  
1162 C4H4 Tetrahedrane c4h4  
1163 H2CCCCH2 Butatriene h2cccch2  
1164 C4H6 1-Methylcyclopropene c3100047  
1165 C4H6 Cyclobutene c822355  
1166 C4H6 Methylenecyclopropane c6142730  
1167 CH2CCHCH3 1,2-Butadiene butad12  
1168 CH2CHCHCH2 1,3-Butadiene c106990  
1169 CH3CCCH3 2-Butyne c503173  
1170 CHCCH2CH3 1-Butyne c107006  
1171 CH3CHCHCH2 methylallyl radical c4h7  
1172 C4H8 methylcyclopropane mcp  
1173 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1174 CH2CHCH2CH3 1-Butene bute1  
1175 CH3CHCHCH3 2-Butene, (E)- bute2e  
1176 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1177 B(CH3)3 trimethylborane bme3  
1178 Al(CH3)3 trimethyl aluminum tma  
1179 C(CH3)3 Tert-butyl radical tbutyl  
1180 CH2CH(CH3)2 Isobutyl radical isobutyl  
1181 CH3CHCH2CH3 2-Butyl radical butyl2  
1182 CH3CH(CH3)CH3 Isobutane isobutane  
1183 SiH(CH3)3 trimethylsilane trimsi  
1184 Li3N trilithium nitride li3n  
1185 C2N2 Cyanogen c2n2  
1186 C2N2+ Cyanogen cation c2n2+  
1187 P4 Phosphorus tetramer p4  
1188 As4 Arsenic tetramer as4  
1189 HCCCN Cyanoacetylene hcccn  
1190 HCCCN+ Cyanoacetylene cation hcccn+  
1191 H2CNCN cyanamide, methylene ch2ncn  
1192 HNCCNH Ethenediimine hnccnh  
1193 C3H3N acrylonitrile ch2chcn  
1194 C3H3N+ acrylonitrile cation ch2chcn+  
1195 CH3N3 methyl azide ch3n3  
1196 NH2CCNH2 Diaminoacetylene daa  
1197 NH2CH2CN Aminoacetonitrile aan  
1198 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1199 C2H5CN ethyl cyanide c2h5cn  
1200 CH5N3 Guanidine guanidine  
1201 C4H6 Bicyclo[1.1.0]butane c157335  
1202 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1203 H2NCHCHNH2 diaminoethylene dae  
1204 CH6N3+ guanidinium ch6n3+  
1205 C3H7N Cyclopropylamine cpram  
1206 CH7N3 triaminomethane tam  
1207 C3H7N Azetidine azet  
1208 C4H8 cyclobutane cbutane  
1209 C2H8N2 Ethylenediamine ethdiam  
1210 CH3NHNHCH3 dimethyl hydrazine dmh  
1211 CH3CH(NH2)CH3 2-Propanamine pram2  
1212 NH2CH2CH2CH3 1-Propanamine pram1  
1213 P(CH3)3 trimethylphosphine tmp  
1214 N(SiH3)3 trisilylamine tsa  
1215 As(CH3)3 trimethyl arsine tmas  
1216 (CH3)3NH+ protonated trimethyl amine ptma  
1217 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1218 Li2O2 dilithium dioxide li2o2  
1219 Na2O2 disodium dioxide na2o2  
1220 K2O2 dipotassium dioxide k2o2  
1221 C3O Tricarbon monoxide c3o  
1222 B2O2 Diboron dioxide b2o2  
1223 ONNO NO dimer onno  
1224 S2N2 Disulfur dinitride s2n2  
1225 CO3 Carbon trioxide co3  
1226 CO3-- carbonate co3--  
1227 CS3-- Carbonotrithioate cs3--  
1228 NO3 Nitrogen trioxide no3  
1229 NO3- nitrate anion no3-  
1230 NO3+ nitrogen trioxide cation no3+  
1231 SO3 Sulfur trioxide so3  
1232 SO3- Sulfur trioxide anion so3-  
1233 SO3-- Sulfate dianion so3--  
1234 SO3+ Sulfur trioxide cation so3+  
1235 SeO3 selenium trioxide seo3  
1236 S4 Sulfur tetramer s4  
1237 TeO3 Tellurium trioxide teo3  
1238 HCO3- bicarbonate anion hco3-  
1239 HNO3 Nitric acid hno3  
1240 HSO3 Hydroxysulfonyl radical hso3  
1241 NH2NO2 nitramide nh2no2  
1242 C2H2CO cyclopropenone c2h2co  
1243 C3H2O Propadienal c3h2o  
1244 HCCCHO 2-propynal hcccho  
1245 C2H2O2 Ethanedial c2h2o2  
1246 C2H2O2+ Ethanedial cation c2h2o2+  
1247 H2CO3 Carbonic acid h2co3  
1248 H2CS3 thiocarbonic acid h2cs3  
1249 H2NO3+ Nitric Acid, Protonated h2no3+  
1250 H2SO3 Sulfurous acid h2so3  
1251 C2H3NO Nitrosoethylene c2h3no  
1252 CH3NCO methylisocyante ch3nco  
1253 HOCH2CN cyanomethanol hoch2cn  
1254 CH3COO- acetate anion ch3coo-  
1255 CH3NO2 Methane, nitro- ch3no2  
1256 CH3ONO Methyl nitrite ch3ono  
1257 NH2COOH Carbamic acid nh2cooh  
1258 H3BO3 Boric acid h3bo3  
1259 H3AlO3 Aluminum hydroxide h3alo3  
1260 H3CO3+ carbonic acid, protonated h3co3+  
1261 C3H4O 2-Propyn-1-ol c107197  
1262 C3H4O allenol c9000071  
1263 C3H4O Cyclopropanone cpone  
1264 C3H4O Methylketene c6004440  
1265 CH2CHCHO Acrolein c3h4o  
1266 NH2CONH2 Urea urea  
1267 NH2CONH2+ Urea cation urea+  
1268 NH2CSNH2 Thiourea thiourea  
1269 C2H4O2 1,3-dioxetane c2h4o2  
1270 CH3COOH Acetic acid ch3cooh  
1271 CH3OCHO methyl formate ch3ocho  
1272 CHOCH2OH hydroxy acetaldehyde haa  
1273 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1274 NH3COOH+ protonated Carbamic acid nh3cooh+  
1275 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1276 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1277 HCOOHH2O Formic acid water dimer hcoohh2o  
1278 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1279 CH3COCH2 Acetonyl radical ch3coch2  
1280 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1281 CH3C(OH)=NH Ethaninidic acid eia  
1282 CH3CHNOH Acetaldoxime acetaldoxime  
1283 CH3CONH2 Acetamide acetamide  
1284 HCONHCH3 N-methylformamide nmfa  
1285 CH3CSNH2 Ethanethioamide ch3csnh2  
1286 CH5N2O+ urea, N-protonated ch4n2o+  
1287 H2NCOHNH2+ urea, protonated ureah+  
1288 C2H5OO ethylperoxy radical c2h5oo  
1289 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1290 C3H5OH Cyclopropanol cproh  
1291 C3H6O 2-Propen-1-ol c107186  
1292 C3H6O Acetone enol enol  
1293 C3H6O Oxetane oxetane  
1294 C3H6O Propylene oxide prox  
1295 CH3CH2CHO Propanal propanal  
1296 CH3COCH3- acetone anion ch3coch3-  
1297 C3H6S Thietane thietane  
1298 C3H6S Thiirane, methyl- methiirane  
1299 CH3CSCH3 Thioacetone ch3csch3  
1300 C2H6O2 1,2-Ethanediol ethdiol  
1301 CH3OOCH3 dimethylperoxide dmp  
1302 CH3SOCH3 Dimethyl sulfoxide dmso  
1303 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1304 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1305 CH3COHCH3+ acetone, protonated acetoneh+  
1306 HOCH2CH2NH2 monoethanolamine mea  
1307 C3H7OH 1-Propanol proh  
1308 CH3CHOHCH3 Isopropyl alcohol isoproh  
1309 CH3OC2H5 Ethane, methoxy- etome  
1310 C3H7SH 1-Propanethiol prsh  
1311 CH3CHSHCH3 2-Propanethiol isoprsh  
1312 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1313 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1314 Li2F2 Lithium fluoride dimer li2f2  
1315 Na2F2 Sodium Fluoride Dimer na2f2  
1316 Na2Cl2 Disodium dichloride na2cl2  
1317 C2F2 difluoroacetylene c2f2  
1318 C2Cl2 dichloroacetylene c2cl2  
1319 C2Cl2+ dichloroacetylene cation c2cl2+  
1320 FNO2 Nitryl fluoride fno2  
1321 FONO Nitrosyl hypofluorite fono  
1322 ClNO2 Nitryl chloride clno2  
1323 ClONO chlorine nitrite clono  
1324 BrONO Bromine nitrite brono  
1325 N2F2 (Z)-Difluorodiazene n2f2_z  
1326 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1327 CF2O+ Carbonic difluoride cation f2co+  
1328 COFCl Carbonic chloride fluoride cofcl  
1329 CCl2O Phosgene cl2co  
1330 Cl2CS Thiophosgene cl2cs  
1331 COBr2 Carbonic dibromide cobr2  
1332 BF3 Borane, trifluoro- bf3  
1333 BF3- Borane, trifluoro- anion bf3-  
1334 BF3+ boron trifluoride cation bf3+  
1335 AlF3 Aluminum trifluoride alf3  
1336 BClF2 Chlorodifluoroborane bclf2  
1337 AlF2Cl Aluminum chloride difluoride alclf2  
1338 ScF3 Scandium trifluoride ScF3  
1339 AlFCl2 Aluminum dichloride fluoride alcl2f  
1340 BCl3 Borane, trichloro- bcl3  
1341 BCl3+ Boron Trichloride cation bcl3+  
1342 GaF3 Gallium trifluoride gaf3  
1343 AlCl3 Aluminum trichloride alcl3  
1344 GaCl3 Gallium trichloride gacl3  
1345 BBr3 Boron tribromide bbr3  
1346 AlBr3 Aluminum Bromide albr3  
1347 ClO3 Chlorine trioxide clo3  
1348 ClO3- chlorate anion clo3-  
1349 BrO3- Bromate anion bro3-  
1350 CF3 Trifluoromethyl radical cf3  
1351 CF3- Trifluoromethyl anion cf3-  
1352 CF3+ Trifluoromethyl cation cf3+  
1353 CF2Cl difluorochloromethyl radical cf2cl  
1354 SiF3 Silicon trifluoride radical sif3  
1355 SiF3+ Silicon trifluoride cation sif3+  
1356 CFCl2 dichlorofluoromethyl radical cfcl2  
1357 CCl3 Trichloromethyl radical ccl3  
1358 CCl3- Trichloromethyl anion ccl3-  
1359 CCl3+ Trichloromethyl cation ccl3+  
1360 SiCl3 trichlorosilyl radical sicl3  
1361 SiCl3+ trichlorosilyl cation sicl3+  
1362 CBr3 tribromomethyl radical cbr3  
1363 FOOF Perfluoroperoxide foof  
1364 ClO2F Chloryl fluoride clo2f  
1365 F2SO Thionyl Fluoride f2so  
1366 ClOOCl Dichlorine dioxide cloocl  
1367 FSSF Difluorodisulfane fssf  
1368 S2F2 Thio-thionyl fluoride s2f2  
1369 SOCl2 thionyl chloride socl2  
1370 SSCl2 Thiothionyl chloride sscl2  
1371 SeOCl2 selenium oxychloride seocl2  
1372 NF3 Nitrogen trifluoride nf3  
1373 NF3- Nitrogen trifluoride anion nf3-  
1374 NF3+ Nitrogen trifluoride cation nf3+  
1375 PF3 Phosphorus trifluoride pf3  
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 ClF3 Chlorine trifluoride clf3  
1390 BrF3 Bromine trifluoride brf3  
1391 IF3 iodone trifluoride if3  
1392 HClO3 Chloric Acid hclo3  
1393 CHF2Cl difluorochloromethane chf2cl  
1394 SiHF3 trifluorosilane sihf3  
1395 CHFCl2 fluorodichloromethane chfcl2  
1396 CDCl3 trichloromethane-d cdcl3  
1397 CHCl3 Chloroform chcl3  
1398 CHBrF2 Methane, bromodifluoro- chbrf2  
1399 SiHCl3 Trichlorosilane sihcl3  
1400 CHFClBr fluorochlorobromomethane chfclbr  
1401 CHBrCl2 Methane, bromodichloro- chbrcl2  
1402 CHF2I difluoroiodomethane chf2i  
1403 CHBr2F dibromofluoromethane chbr2f  
1404 CHFClI fluorochloroiodomethane chfcli  
1405 CHCl2I dichloroiodomethane chcl2i  
1406 CHClBr2 Methane, dibromochloro- chclbr2  
1407 CHBr3 bromoform chbr3  
1408 CHI3 Iodoform chi3  
1409 NF3H+ protonated nitrogen trifluoride nf3h+  
1410 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1411 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1412 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1413 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1414 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1415 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1416 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1417 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1418 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1419 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1420 C2H2Br2 1,1-dibromoethene c2h2br2  
1421 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1422 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1423 CH2FCHO Fluoroacetaldehyde ch2fcho  
1424 CH3COF Acetyl fluoride ch3cof  
1425 CH2ClCHO chloroacetaldehyde ch2clcho  
1426 CH3COCl Acetyl Chloride ch3cocl  
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 Propane, 2,2-dimethyl- neopentane  
1486 Si(CH3)4 tetramethylsilane tms  
1487 N2O3 Dinitrogen trioxide n2o3  
1488 C3H2N2 Malononitrile c3h2n2  
1489 CH2N4 1H-Tetrazole 1htz  
1490 C3H3N2 imidazolyl radical im  
1491 C3H3N2- imidizolyl anion im-  
1492 C2H3N3 1H-1,2,4-Triazole c288880  
1493 C4H4N pyrrolide radical c4h4n  
1494 C4H4N- pyrrolide anion c4h4n-  
1495 C3H4N2 1H-Imidazole 1himidaz  
1496 C3H4N2 1H-Pyrazole 1hpyraz  
1497 C3H4N2 2H-Imidazole imid2h  
1498 C3H4N2 4H-Imidazole imid4h  
1499 C4H5N (E)-2-Butenenitrile c627269  
1500 C4H5N (Z)-2-Butenenitrile c1190767  
1501 C4H5N 2H-pyrrole pyrrole2  
1502 C4H5N 3H-pyrrole pyrrole3  
1503 C4H5N Cyclopropanecarbonitrile c5500210  
1504 C4H5N Pyrrole pyrrole  
1505 CH2CHCH2CN Allylcyanide ch2chch2cn  
1506 C4H6N+ pyrrole, alpha-protonated appyr  
1507 C4H6N+ pyrrole, beta-protonated bppyr  
1508 C4H6N+ pyrrole, protonated ppyr  
1509 C3H6N2 3-Aminopropionitrile c151188  
1510 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1511 CH3CH2CH2CN Butanenitrile c109740  
1512 C5H8 Bicyclo[2.1.0]pentane c185944  
1513 C5H8 Spiropentane c157404  
1514 C4H9N Cyclobutylamine cbam  
1515 C4H9N Pyrrolidine pyrrolidine  
1516 C3H10N2 1,2-Diaminopropane diampr12  
1517 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1518 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1519 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1520 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1521 NH(C2H5)2 diethylamine dea  
1522 NC4H12+ tetramethyl ammonium cation nc4h12+  
1523 C3O2 Carbon suboxide c3o2  
1524 C3O2+ Carbon suboxide cation c3o2+  
1525 B2O3 diboron trioxide b2o3  
1526 MgCO3 Magnesium Carbonate mgco3  
1527 BeCO3 Beryllium Carbonate beco3  
1528 CaCO3 Calcium Carbonate caco3  
1529 ONONO Nitrosyl nitrite onono  
1530 PO4--- phosphate po4---  
1531 SO4-- sulfate so4--  
1532 HOONO2 peroxy nitric acid hoono2  
1533 HSO4- bisulfate anion hso4-  
1534 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1535 C3H2O2 Propiolic acid c3h2o2  
1536 CHOCOOH oxo acetic acid oaa  
1537 CHOOCHO diformyl ether choocho  
1538 H2SO4 Sulfuric acid h2so4  
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 SO2F2 Sulfuryl fluoride so2f2  
1618 SO2Cl2 Sulfuryl chloride so2cl2  
1619 F3NO Nitrogen trifluoride oxide f3no  
1620 F3PO Phosphoryl fluoride pf3o  
1621 Cl3PO Phosphoryl chloride pcl3o  
1622 SiF4 Silicon tetrafluoride sif4  
1623 TiF4 Titanium tetrafluoride tif4  
1624 CF3Br Bromotrifluoromethane cf3br  
1625 GeF4 Germanium tetrafluoride gef4  
1626 CCl4+ Carbon tetrachloride cation ccl4+  
1627 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1628 SiCl4 Silane, tetrachloro- sicl4  
1629 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1630 CF3I trifluoroiodomethane cf3i  
1631 CBrCl3 Methane, bromotrichloro- cbrcl3  
1632 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1633 GeCl4 Germanium Tetrachloride gecl4  
1634 CBr2ClF dibromochlorofluoromethane cbr2clf  
1635 CBr2Cl2 dibromodichloromethane cbr2cl2  
1636 CCl3I trichloroiodomethane ccl3i  
1637 CFBr3 fluorotribromomethane cfbr3  
1638 CFClBrI fluorochlorobromoiodomethane cfclbri  
1639 CBr3Cl tribromochloromethane cbr3cl  
1640 CF2I2 difluorodiiodomethane cf2i2  
1641 CBr4 Carbon tetrabromide cbr4  
1642 CCl2I2 dichlorodiiodomethane ccl2i2  
1643 SiBr4 Silicon tetrabromide sibr4  
1644 CBr3I tribromoiododmethane cbr3i  
1645 GeBr4 Germanium tetrabromide gebr4  
1646 CI4 tetraiodomethane ci4  
1647 SiI4 silicon tetraiodide sii4  
1648 ClOF3 Chlorine trifluoride oxide clof3  
1649 SF4 Sulfur tetrafluoride sf4  
1650 SeF4 Selenium tetrafluoride sef4  
1651 SCl4 Sulfur tetrachloride scl4  
1652 C2HF3 Trifluoroethylene c2hf3  
1653 C2HF3+ Trifluoroethylene cation c2hf3+  
1654 CHClCCl2 Trichloroethylene chclccl2  
1655 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1656 HClO4 perchloric acid hclo4  
1657 HSO3F Fluorosulfonic acid hso3f  
1658 CF3OH trifluoromethanol cf3oh  
1659 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1660 CHClCCHCl 1,3-dichloroallene chclcchcl  
1661 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1662 CHCl2CHO dichloroacetaldehyde chcl2cho  
1663 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1664 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1665 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1666 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1667 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1668 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1669 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1670 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1671 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1672 NH3BCl3 Amminetrichloroboron nh3bcl3  
1673 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1674 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1675 C3H5ClO Oxirane, (chloromethyl)- c106898  
1676 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1677 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1678 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1679 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1680 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1681 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1682 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1683 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1684 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1685 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1686 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1687 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1688 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1689 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1690 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1691 C4H9F 1-fluorobutane butaf1  
1692 CH3CHFCH2CH3 2-fluorobutane butaf2  
1693 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1694 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1695 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1696 XeF4 Xenon tetrafluoride xef4  
1697 C2H2N2O Furazan furazan  
1698 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1699 NH3BF3 Amminetrifluoroboron nh3bf3  
1700 C6H2 hexatriyne c6h2  
1701 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1702 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1703 C6H4 Benzyne benzyne  
1704 C6H5 phenyl phenyl  
1705 C6H5- phenyl anion phenyl-  
1706 C6H6 Prismane prismane  
1707 C6H6 1,2,4,5-Hexatetraene ht1245  
1708 C6H6 2,4-Hexadiyne hexadiyne  
1709 C6H6 3,4-Dimethylenecyclobutene cb34m  
1710 C6H6 Benzene benzene  
1711 C6H6 Benzvalene bv  
1712 C6H6 Dewar Benzene dewar  
1713 C6H6 Hexa-1,5-diene-3-yne hdy153  
1714 C6H6 Trimethylenecycopropane tmcp  
1715 C6H6+ Benzene cation c6h6+  
1716 C6H7+ benzene, protonated c6h7+  
1717 C6H8 (E)-hexa-1,3,5-triene c821078  
1718 C6H8 (E)-hexa-2,3,4-triene c59660650  
1719 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1720 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1721 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1722 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1723 C6H8 3-Methylenecyclopentene c930267  
1724 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1725 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1726 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1727 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1728 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1729 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1730 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1731 C6H10 1,5-Hexadiene c592427  
1732 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1733 C6H10 1-Hexyne hexyne1  
1734 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1735 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1736 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1737 C6H10 2-Hexyne c764352  
1738 C6H10 3-Hexyne hexyne3  
1739 C6H10 cyclohexene cyclohexene  
1740 C6H10 Cyclopentene, 1-methyl- c693890  
1741 C6H10 Cyclopentene, 3-methyl- c1120623  
1742 C6H10 Cyclopentene, 4-methyl- c1759815  
1743 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1744 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1745 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1746 C6H12 (E)-2-Hexene e2hexene  
1747 C6H12 (E)-3-methylpent-2-ene c616126  
1748 C6H12 (E)-hex-3-ene e3hexene  
1749 C6H12 (Z)-3-methylpent-2-ene c922623  
1750 C6H12 (Z)-hex-2-ene z2hexene  
1751 C6H12 (Z)-hex-3-ene z3hexene  
1752 C6H12 2,3-dimethylbut-1-ene c563780  
1753 C6H12 2,3-dimethyl-but-2-ene tmeet  
1754 C6H12 3-methylenepentane c760214  
1755 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1756 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1757 C6H12 Cyclohexane cyclohexane  
1758 C6H12 Cyclopentane, methyl- c96377  
1759 C6H12 Ethylcyclobutane c4806615  
1760 C6H12 hex-1-ene hexene1  
1761 C6H14 Butane, 2,2-dimethyl- buta22  
1762 C6H14 Butane, 2,3-dimethyl- buta23  
1763 C6H14 Pentane, 2-methyl- penta2  
1764 C6H14 Pentane, 3-methyl- penta3  
1765 C4N2 2-Butynedinitrile c4n2  
1766 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1767 C4H2N2 Fumaronitrile c4h2n2  
1768 C2H2N4 sym-tetrazine ttz  
1769 C3H3N3 1,3,5-Triazine triazine135  
1770 CH3N5 5-Aminotetrazole c4418615  
1771 C4H4N2 1,3-Diazine diazine13  
1772 C4H4N2 Pyrazine pyrazine  
1773 C4H4N2 Pyridazine pyridazine  
1774 C4H4N2 Succinonitrile c110612  
1775 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1776 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1777 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1778 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1779 C5H5N E-2,4-pentadienenitrile bdcn  
1780 B3N3H6 borazine borazine  
1781 C6H6 Fulvene fulvene  
1782 C5H6N+ Pyridinium c5h6n  
1783 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1784 C5H7N (E)-2-Pentenenitrile c26294984  
1785 C5H7N (E)-3-Pentenenitrile c16529661  
1786 C5H7N (Z)-2-Pentenenitrile c25899507  
1787 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1788 C5H7N Cyclobutanecarbonitrile c4426113  
1789 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1790 C5H9N Butanenitrile, 2-methyl- c18936179  
1791 C5H9N Pentanenitrile c110598  
1792 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1793 C6H10 Bicyclo[3.1.0]hexane c285585  
1794 C5H11N Cyclopentanamine cypentam  
1795 C5H11N Piperidine piper  
1796 C4H12N2 1,2-Butanediamine c4426486  
1797 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1798 Li2CO3 Lithium Carbonate li2co3  
1799 Na2CO3 Sodium Carbonate na2co3  
1800 C2O4-- oxalate anion c2o4  
1801 MgSO4 Magnesium Sulfate mgso4  
1802 N2O4 Dinitrogen tetroxide n2o4  
1803 C3H2O3 vinylene carbonate vica  
1804 C2H2O4 Oxalic Acid oxalic  
1805 C2H3NO3 Oxamic acid oxamic  
1806 C4H4O2 2(5H)-Furanone furanone  
1807 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1808 C2H4N2O2 Oxalamide oxalamide  
1809 C2H4N2S2 Ethanedithioamide c79403  
1810 C2H4CO3 Ethylene carbonate etco3  
1811 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1812 C3H4S3 1,3-Dithiolane-2-thione c822388  
1813 C2H4O4 Formic acid dimer fadimer  
1814 C4H5NO 3-Methylisoxazole isox3m  
1815 C4H5NO Isoxazole, 5-methyl- c5765446  
1816 C4H5NS 4-Methylthiazole c693958  
1817 C2H5NO3 Nitric acid, ethyl ester c625581  
1818 C5H6O 2H-Pyran pyran2  
1819 C5H6O 2-methylfuran furan2m  
1820 C5H6O 3-Methylfuran furan3m  
1821 C5H6O Pentadienal pdal  
1822 C5H6S Thiophene, 2-methyl- c554143  
1823 C5H6S Thiophene, 3-methyl- c616444  
1824 C4H6O2 γ–Butyrolactone c96480  
1825 C4H6O2 2,3-Butanedione c431038  
1826 C4H6O2 2-Propenoic acid, methyl ester c96333  
1827 C4H6O2 Crotonic Acid crot  
1828 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1829 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1830 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1831 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1832 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1833 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1834 C4H6OS Vinyl sulfoxide c1115157  
1835 CH6N4S Carbonothioic dihydrazide thiacarb  
1836 C2H6N2O2 (E)-Azodioxymethane c37765154  
1837 C2H6N2O2 Dimethylnitroamine c4164287  
1838 C3H6O3 1,3,5-Trioxane trioxane  
1839 C3H6S3 1,3,5-Trithiane c3h6s3  
1840 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1841 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1842 C4H7NO 2-Pyrrolidinone c616455  
1843 C4H7NO Ethoxyacetonitrile etoaccn  
1844 C4H7NO Methacrylamide c79390  
1845 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1846 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1847 C3H7ONO Propyl nitrite prono  
1848 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1849 CH3CH(NH2)COOH Alanine alanine  
1850 CH3NHCH2COOH Sarcosine sarcosine  
1851 NH2CH2CH2COOH β–alanine betaalanine  
1852 NH2COOC2H5 Urethane urethane  
1853 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1854 C5H8O Cyclopentanone c120923  
1855 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1856 C5H8O Methyl cyclopropyl ketone c765435  
1857 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1858 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1859 NH2CONHC2H5 Urea, ethyl- c625525  
1860 C4H8O2 1,3-Dioxane dioxan13  
1861 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1862 C4H8O2 1,4-Dioxane dioxan14  
1863 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1864 C4H8O2 Ethyl acetate c141786  
1865 C4H8OS s-Ethyl thioacetate c625605  
1866 C3H8O3 1,2,3-Propanetriol glycerin  
1867 C3H8O2S (Methylsulfonyl)ethane c594434  
1868 C4H9NO Butanamide c541355  
1869 C4H9NO Propanamide, 2-methyl- c563837  
1870 C5H10O 2-Butanone, 3-methyl- c563804  
1871 C5H10O 2H-Pyran, tetrahydro- c142687  
1872 C5H10O 2-methylbutyraldehyde 2meba  
1873 C5H10O 2-Pentanone mpk  
1874 C5H10O 3-Pentanone dek  
1875 C5H10O Cyclopentanol c96413  
1876 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1877 C5H10O Pentanal pal  
1878 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1879 C5H10S 3-Ethylthio-1-propene c5296628  
1880 C5H10S Cyclopentanethiol c1679078  
1881 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1882 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1883 C4H10O2 1,1-Dimethoxyethane c534156  
1884 C4H10O2 1,3-Butanediol budiol13  
1885 C4H10O2 1,4-Butanediol budiol14  
1886 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1887 C4H10OS Diethyl sulfoxide c70291  
1888 C4H10S2 1,4-Butanedithiol budisl14  
1889 C4H11NO Diethylhydroxylamine c3710847  
1890 C5H12O 1-Butanol, 2-methyl- c137326  
1891 C5H12O 1-Butanol, 3-methyl- c123513  
1892 C5H12O 1-Pentanol pentanol1  
1893 C5H12O 2-Butanol, 3-methyl- c598754  
1894 C5H12O 2-Pentanol peol2  
1895 C5H12O 3-Pentanol pentan3ol  
1896 C5H12O Butane, 1-methoxy- meobu  
1897 C5H12O Propane, 1-ethoxy- proet  
1898 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1899 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1900 C5H12S 1-Butanethiol, 3-methyl- c541311  
1901 C5H12S 1-Pentanethiol c110667  
1902 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1903 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1904 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1905 C5H12S Butane, 1-(methylthio)- c628295  
1906 C5H12S Ethyl propyl sulfide c4110503  
1907 C5H12S Propane, 2-(ethylthio)- c5145993  
1908 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1909 C4F2 difluorobutadiyne c4f2  
1910 ClCOClCO Oxalyl chloride oxcl  
1911 CF3CN Acetonitrile, trifluoro- cf3cn  
1912 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1913 B2F4 Diboron tetrafluoride b2f4  
1914 B2Cl4 Diboron tetrachloride b2cl4  
1915 C2F4 Tetrafluoroethylene c2f4  
1916 C2F4+ Tetrafluoroethylene cation c2f4+  
1917 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1918 CF2CCl2 difluorodichloroethylene cf2ccl2  
1919 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1920 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1921 C2FCl3 fluorotrichloroethene c2fcl3  
1922 C2Cl4 Tetrachloroethylene c2cl4  
1923 C2Br4 tetrabromoethene c2br4  
1924 CF3OF Trifluoromethylhypofluorite cf3of  
1925 SiF5- silicon pentafluoride anion sif5-  
1926 SOF4 Sulfur tetrafluoride oxide sof4  
1927 PF5 Phosphorus pentafluoride pf5  
1928 AsF5 Arsenic pentafluoride asf5  
1929 PCl5 Phosphorus pentachloride pcl5  
1930 SF5 Sulfur pentafluoride sf5  
1931 SF5+ pentafluoro sulfur cation sf5+  
1932 SbCl5 Antimony pentachloride sbcl5  
1933 BrF5 bromine pentafluoride brf5  
1934 ClF5 chlorinepentafluoride clf5  
1935 IF5 pentafluoroiodine if5  
1936 CF3CHO trifluoroacetaldehyde cf3cho  
1937 CCl3CHO trichloroacetaldehyde ccl3cho  
1938 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1939 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1940 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1941 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1942 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1943 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1944 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1945 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1946 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1947 CF3COOH trifluoroacetic acid cf3cooh  
1948 C4H3ClO Furan, 2-chloro fur2cl  
1949 C4H3ClO Furan,3-chloro fur3cl  
1950 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1951 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1952 C4H8Cl2 1,4-Dichlorobutane c110565  
1953 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1954 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1955 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1956 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1957 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1958 C5H11Cl Pentane, 1-chloro- pencl1  
1959 C4H8O2 Butanoic acid bua  
1960 C6H5CH2 benzyl radical benzyl  
1961 C7H7 cycloheptatrienyl radical c7h7  
1962 C7H7+ cycloheptatrienyl cation c7h7+  
1963 C6H5CH3 toluene toluene  
1964 C7H8 cycloheptatriene cht  
1965 C7H8 Norbornadiene norbor  
1966 C7H8 Quadricyclane qucy  
1967 C7H12 Norbornane nor  
1968 C7H14 cycloheptane c7h14  
1969 C7H16 2-methylhexane 2mhex  
1970 C7H16 3-methylhexane hex3m  
1971 C7H16 heptane heptane  
1972 CH(CN)3 tricyanomethane mecn3  
1973 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1974 C6H7N 2-Methylpyridine mp  
1975 C6H5NH2 aniline aniline  
1976 C6H13N 2-Methylpiperidine pip2m  
1977 C6H13N cyclohexanamine cham  
1978 C6H15N triethylamine tea  
1979 N2O5 Dinitrogen pentoxide n2o5  
1980 C4H2O3 Maleic Anhydride malan  
1981 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1982 C5H4O2 furfural furfural  
1983 C6H5O phenoxy radical phenoxy  
1984 C5H5NO 2(1H)-Pyridinone c72762006  
1985 C5H5NO 2(3H)-Pyridinone c9000048  
1986 C5H5NO 2(5H)-Pyridinone c9000037  
1987 C5H5NO 2-Pyridinol c109104  
1988 C5H5NO 3(2H)-Pyridinone c9000004  
1989 C5H5NO 3(4H)-Pyridinone c9000026  
1990 C5H5NO 3(6H)-Pyridinone c9000015  
1991 C5H5NO 3-Pyridinol c109002  
1992 C5H5NO 4(1H)-Pryidinone c9000060  
1993 C5H5NO 4(3H)-Pryidinone c9000059  
1994 C5H5NO 4-Pyridinol c626642  
1995 C6H5OH phenol phenol  
1996 C6H6O 2,4-Cyclohexadienone c24599573  
1997 C6H6O 2,5-Cyclohexadienone c5664335  
1998 C6H5SH Benzenethiol phsh  
1999 HO2CCHNH2CH2OH Serine serine  
2000 C5H8O2 Acetylacetone acac  
2001 C4H8O2S Sulfolane sulfolane  
2002 C7H10 Norbornene norbornene  
2003 CH(C2H3)3 trivinyl methane tvm  
2004 C6H10O cyclohexanone chexo  
2005 C6H12O hexanal c6h12o  
2006 C6H12O Oxepane oxepane  
2007 C3H7OC3H7 di-n-propyl ether propr  
2008 F2CCCF2 tetrafluoroallene pfa  
2009 CF3COO- trifluoro acetate anion cf3coo-  
2010 CF3COF trifluoroacetyl fluoride cf3cof  
2011 CF3COCl trifluoroacetyl chloride cf3cocl  
2012 PF6 Hexafluorophosphate neutral pf6  
2013 PF6- Hexafluorophosphate ion pf6-  
2014 SF6 Sulfur Hexafluoride sf6  
2015 SeF6 Selenium hexafluoride sef6  
2016 SF5Cl sulfur chloropentafluoride sf5cl  
2017 CF3CHF2 pentafluoroethane cf3chf2  
2018 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2019 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2020 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2021 CCl3CHCl2 pentachloroethane ccl3chcl2  
2022 C6H5Cl chlorobenzene bzcl  
2023 C6H5Br bromobenzene bzbr  
2024 C8H6 Calicene calicene  
2025 C6H5CCH phenylacetylene phac  
2026 C8H6 benzocyclobutadiene bcbd  
2027 C8H6 Pentalene pentalene  
2028 C6H5CHCH2 Styrene styrene  
2029 C8H8 cubane cubane  
2030 C8H8 cyclooctatetraene cot  
2031 C6H5CH2CH3 Ethylbenzene etbz  
2032 CH3C6H4CH3 meta-xylene mxylene  
2033 CH3C6H4CH3 paraxylene pxylene  
2034 C8H14 Bicyclo[2.2.2]octane bico222  
2035 C8H16 cyclooctane cyclooct  
2036 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2037 C8H18 Octane c8h18  
2038 C6H5CN phenyl cyanide phcn  
2039 C6H12N2 Triethylenediamine ted  
2040 C4O4-- squarate dianion c4o4--  
2041 S4N4 Tetrasulfur tetranitride s4n4  
2042 S8 Octasulfur s8  
2043 C6H4O2 parabenzoquinone pbq  
2044 C4H4N2O2 Uracil uracil  
2045 C6H5CHO benzaldehyde benzal  
2046 C6H5OCH3 Anisole anisole  
2047 C5H9NO2 Proline proline  
2048 C6H12O2 Methyl pivalate c598981  
2049 C6H12O2 Hexanoic acid hexa  
2050 C4F4 tetrafluorcyclobutadiene c4f4  
2051 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2052 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2053 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2054 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2055 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2056 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2057 C2F6 hexafluoroethane c2f6  
2058 C2Cl6 hexachloroethane c2cl6  
2059 IF7 Iodine heptafluoride if7  
2060 C6H4F2 metadifluorobenzene mdfb  
2061 C6H4F2 orthodifluorobenzene odfb  
2062 C6H4F2 1,4-difluorobenzene pdfb  
2063 C6H4Cl2 1,2-dichlorobenzene dcb12  
2064 C6H4Cl2 1,3-dichlorobenzene dcb13  
2065 C6H4Cl2 1,4-dichlorobenzene dcb14  
2066 C6H5NO nitrosobenzene bzno  
2067 C9H8 Indene indene  
2068 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2069 C9H12 n-propyl benzene prbz  
2070 C9H20 Nonane nonane  
2071 C(CN)4 tetracyanomethane c5n4  
2072 C5H4N4 purine purine  
2073 C8H7N Indole indole  
2074 C3H3N3O3 cyanuric acid cyanuric  
2075 C6H5NO2 Nitrobenzene c6h5no2  
2076 C6H5COOH benzoic acid benzo  
2077 CH3COC6H5 acetophenone acph  
2078 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2079 C3F6 hexafluoropropene c3f6  
2080 C6H3F3 Benzene trifluoride 123 bzf3a  
2081 C8H18O 1-Octanol octanol  
2082 C10H8 Azulene azu  
2083 C10H8 naphthalene naph  
2084 C10H10 bullvalene bullv  
2085 C10H16 adamantane adamantane  
2086 C6N4 Tetracyanoethylene tcne  
2087 C6N4- tetracyanoethylene anion tcne-  
2088 C10H22 Decane decane  
2089 C4F6 perfluorobutadiene c4f6  
2090 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2091 C3F8 perfluoropropane c3f8  
2092 Fe(CO)5 Iron pentacarbonyl ipc  
2093 Fe(C5H5)2 ferrocene fecp2  
2094 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2095 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2096 C12H8 Acenaphthylene acenaph  
2097 C12H8 biphenylene biph  
2098 C12H10 biphenyl biphenyl  
2099 C12H10 Heptalene heptalene  
2100 C6H12O6 Inositol inositol  
2101 C6F6 hexafluorobenzene c6f6  
2102 S2F10 disulphur decafluoride s2f10  
2103 C13H10 Fluorene fluorene  
2104 C14H10 Anthracene anth  
2105 C14H10 Phenanthrene phenanthrene  
2106 C14H14 Bibenzyl bibenzyl  
2107 C12H10N2 azobenzene azobenzene  
2108 C6H5COC6H5 benzophenone benzophenone  
2109 C16H10 Pyrene pyrene  
2110 C18H12 Tetracene tetracene  
2111 C19H16 Triphenylmethane tpm  
2112 C24H12 Coronene coronene  
2113 C60 Buckminsterfullerene c60