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 wB97X-D /cc-pCVDZ

Jump to calculations not yet done
count Species Name State Conformation
1 HS Mercapto radical 2ΠC∞v
2 H2O Water 1A1C2v
3 H2S Hydrogen sulfide 1A1C2v
4 H2S+ Hydrogen sulfide cation 2B1C2v
5 H3S+ Sulfonium cation 1A1C3v
6 HCl+ hydrogen chloride cation 2ΠC∞v
7 H2Cl+ dihydrogen monochloride cation 1A1C2v
8 Si2H6 disilane 1EuD3d
9 CN Cyano radical 2ΣC∞v
10 N2 Nitrogen diatomic 1ΣgD∞h
11 HCN Hydrogen cyanide 1ΣC∞v
12 NNH+ Dinitrogen monohydride cation 1ΣC∞v
13 CaS Calcium sulfide 1ΣC∞v
14 BO boron monoxide 2ΣC∞v
15 CO Carbon monoxide 1ΣC∞v
16 CO- carbon monoxide anion 2ΠC∞v
17 CO+ carbon monoxide cation 2ΣC∞v
18 NO Nitric oxide 2ΠC∞v
19 NS Mononitrogen monosulfide 2ΠC∞v
20 PO Phosphorus monoxide 2ΠC∞v
21 O2 Oxygen diatomic 3ΣgD∞h
22 SO Sulfur monoxide 3ΣC∞v
23 CH3SH Methanethiol 1A'Cs
24 CH3SH2+ protonated methylsulfide 1A'Cs
25 NCl nitrogen monochloride 3ΣC∞v
26 ClO Monochlorine monoxide 2ΠC∞v
27 SCl sulfur monochloride 2ΠC∞v
28 F2 Fluorine diatomic 1ΣgD∞h
29 ClF Chlorine monofluoride 1Σ+C∞v
30 Cl2 Chlorine diatomic 1ΣgD∞h
31 Cl2+ chlorine diatomic cation 2ΠgD∞h
32 CH3Cl Methyl chloride 1A1C3v
33 Si3H8 trisilane   
34 CO2 Carbon dioxide 1ΣgD∞h
35 NSO sulfinyl amidogen   
36 SNO Nitrogen oxide sulfide   
37 BH3CO Borane carbonyl 1A1C3v
38 FNS Thionitrosyl fluoride 1A'Cs
39 FSN Thiazyl fluoride 1A'Cs
40 OClO Chlorine dioxide 2B1D∞h
41 ClSO Sulfur chloride oxide 2A"Cs
42 FClO chlorosyl fluoride 1A'Cs
43 ClOF Chlorine hypofluorite 1A'Cs
44 S2N2 Disulfur dinitride 1AGD2h
45 ClO2F Chloryl fluoride 1A'Cs
46 SiF5- silicon pentafluoride anion   

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si Silicon atom si  
110 Si- Silicon atom anion si-  
111 Si+ Silicon atom cation si+  
112 Ti Titanium atom ti  
113 Ti- Titanium atom anion ti-  
114 Ti+ Titanium atom cation ti+  
115 Ge Germanium atom ge  
116 Ge- Germanium anion ge-  
117 Ge+ Germanium cation ge+  
118 Sn Tin atom sn  
119 Sn+ Tin cation sn+  
120 CH Methylidyne ch  
121 CH- methylidyne anion ch-  
122 CH+ Methylidyne cation ch+  
123 SiH Silylidyne sih  
124 SiH- silicon monohydride anion sih-  
125 SiH+ silicon monohydride cation sih+  
126 GeH germylidene geh  
127 GeH+ Germaniun monohyrdide cation geh+  
128 CH2 Methylene ch2  
129 CH2- methylene anion ch2-  
130 CH2+ methylene cation ch2+  
131 SiH2 silicon dihydride sih2  
132 SiH2- silicon dihydride anion sih2-  
133 SiH2+ silicon dihydride cation sih2+  
134 GeH2 germylene geh2  
135 GeH2- germylene anion geh2-  
136 CH3 Methyl radical ch3  
137 CH3- methyl anion ch3-  
138 CH3+ methyl cation ch3+  
139 SiH3 Silyl radical sih3  
140 SiH3- Silyl anion sih3-  
141 SiH3+ Silyl cation sih3+  
142 GeH3 Germyl radical geh3  
143 GeH3+ germyl cation geh3+  
144 CD4 methane-d4 cd4  
145 CH2D2 methane-d2 ch2d2  
146 CH3D methane-d ch3d  
147 CH4 Methane ch4  
148 CH4- Methane anion ch4-  
149 CH4+ Methane cation ch4+  
150 CHD3 methane-d3 chd3  
151 SiH2D2 silane-d2 sih2d2  
152 SiH4 Silane sih4  
153 SiH4+ Silane cation sih4+  
154 GeH4 Germane geh4  
155 SnH4 Stannane snh4  
156 SiH5+ Silane, protonated sih5+  
157 N Nitrogen atom n  
158 N- Nitrogen atom anion n-  
159 N+ Nitrogen atom cation n+  
160 P Phosphorus atom p  
161 P- Phosphorus atom anion p-  
162 P+ Phosphorus atom cation p+  
163 V Vanadium atom v  
164 V+ Vanadium atom cation v+  
165 As Arsenic atomic as  
166 As- Arsenic anion as-  
167 As+ Arsenic cation as+  
168 Sb Antimony atom sb  
169 NH Imidogen nh  
170 NH- Imidogen anion nh-  
171 NH+ imidogen cation nh+  
172 PH phosphorus monohydride ph  
173 PH- phosphorus monohydride anion ph-  
174 PH+ phosphorus monohydride cation ph+  
175 AsH Arsenic monohydride ash  
176 AsH+ Arsenic monohydride cation ash+  
177 SbH Antimony monohydride sbh  
178 ND2 Amidogen-d2 nd2  
179 NH2 Amino radical nh2  
180 NH2- amino anion nh2-  
181 NH2+ Amino cation nh2+  
182 PH2 Phosphino radical ph2  
183 PH2- Phosphino anion ph2-  
184 PH2+ Phosphino cation ph2+  
185 AsH2 Arsenic dihydride ash2  
186 AsH2+ Arsenic dihydride cation ash2+  
187 ND3 Ammonia-d3 nd3  
188 NH3 Ammonia nh3  
189 NH3- Ammonia anion nh3-  
190 NH3+ ammonia cation nh3+  
191 PH3 Phosphine ph3  
192 PH3+ Phosphine cation ph3+  
193 AsH3 Arsine ash3  
194 AsH3+ Arsine cation ash3+  
195 SbH3 Stibine sbh3  
196 AsH4+ Arsonium ash4+  
197 NH4 Ammonium radical nh4  
198 NH4+ ammonium cation nh4+  
199 PH4 Phosphoranyl radical ph4  
200 PH4+ phosphonium cation ph4+  
201 O Oxygen atom o  
202 O- Oxygen atom anion o-  
203 O+ Oxygen atom cation o+  
204 S Sulfur atom s  
205 S- Sulfur atom anion s-  
206 S+ Sulfur atom cation s+  
207 Cr Chromium atom cr  
208 Se Selenium atom se  
209 Se- Selenium atom anion se-  
210 Se+ Selenium atom cation se+  
211 Te Tellurium atom te  
212 Te+ Tellurium atom cation te+  
213 DO Hydroxyl-d od  
214 OH Hydroxyl radical oh  
215 OH- hydroxide anion oh-  
216 OH+ hydoxyl cation oh+  
217 DS Mercapto-d ds  
218 HS- mercapto anion sh-  
219 HS+ sulfur monohydride cation sh+  
220 CrH Chromium hydride crh  
221 CrH+ Chromium hydride cation crh+  
222 HSe Selenium monohydride hse  
223 HSe- selenium monohydride anion hse-  
224 HSe+ selenium monohydride cation hse+  
225 TeH Telluryl radical teh  
226 D2O Deuterium oxide d2o  
227 H2O- water anion h2o-  
228 H2O+ water cation h2o+  
229 HDO Water-d1 hdo  
230 D2S Hydrogen sulfide-d2 d2s  
231 H2S- Hydrogen sulfide anion h2s-  
232 H2Se Hydrogen selenide h2se  
233 H2Se+ Hydrogen selenide cation h2se+  
234 H2Te Hydrogen Telluride h2te  
235 H3O+ hydronium cation h3o+  
236 H3Se+ Hydrogen Selenide, protonated h3se+  
237 F Fluorine atom f  
238 F- Fluorine atom anion f-  
239 F+ Fluorine atom cation f+  
240 Cl Chlorine atom cl  
241 Cl- Chlorine atom anion cl-  
242 Cl+ Chlorine atom cation cl+  
243 Mn Manganese atom mn  
244 Br Bromine atom br  
245 Br- Bromine atom anion br-  
246 Br+ Bromine atom cation br+  
247 I Iodine atom iodine  
248 I- Iodine atom anion iodine-  
249 I+ Iodine atom cation iodine+  
250 DF Hydrofluoric acid-d df  
251 HF Hydrogen fluoride hf  
252 HF- hydrogen fluoride anion hf-  
253 HF+ hydrogen fluoride cation hf+  
254 DCl Hydrochloric acid-d dcl  
255 HCl Hydrogen chloride hcl  
256 HCl- hydrogen chloride anion hcl-  
257 HBr hydrogen bromide hbr  
258 HBr- hydrogen bromide anion hbr-  
259 HBr+ hydrogen bromide cation hbr+  
260 HI Hydrogen iodide hi  
261 HI+ Hydrogen iodide cation hi+  
262 H2F+ dihydrogen fluoride cation h2f+  
263 H2Br+ protonated hydrogen bromide h2br+  
264 H2I+ Iodonium h2i+  
265 Ne Neon atom ne  
266 Ne- Neon atom anion ne-  
267 Ne+ Neon atom cation ne+  
268 Ar Argon atom ar  
269 Ar- Argon atom anion ar-  
270 Ar+ Argon atom cation ar+  
271 Fe Iron atom fe  
272 Kr Krypton atom kr  
273 Kr+ Krypton cation kr+  
274 Xe Xenon atom xe  
275 HeLi+ Helium Lithium cation heli+  
276 NeH neon hydrogen neh  
277 NeH+ neon hydrogen cation neh+  
278 ArH+ Argon hydride cation arh+  
279 KrH+ Protonated Krypton krh+  
280 XeH+ Xenon, protonated xeh+  
281 H2Ar H2 Ar dimer h2ar  
282 Co Cobalt atom cobalt  
283 Ni Nickel atom ni  
284 Li2 Lithium diatomic li2  
285 Li2- lithium diatomic anion li2-  
286 Li2+ lithium diatomic cation li2+  
287 NaLi lithium sodium lina  
288 NaLi- lithium sodium anion lina-  
289 NaLi+ lithium sodium cation lina+  
290 LiK Lithium Potassium lik  
291 Na2 Sodium diatomic na2  
292 Na2- sodium diatomic anion na2-  
293 Na2+ sodium diatomic cation na2+  
294 NaK Sodium Potassium nak  
295 NaK+ Sodium Potassium diatomic cation nak+  
296 K2 Potassium diatomic k2  
297 Cu2 Copper diatomic cu2  
298 LiBe Lithium Beryllium libe  
299 LiMg Lithium magnesium limg  
300 NaBe Sodium Beryllium nabe  
301 NaMg Sodium Magnesium namg  
302 Be2 Beryllium diatomic be2  
303 Be2- Beryllium diatomic anion be2-  
304 Be2+ Beryllium diatomic cation be2+  
305 BeMg Beryllium Magnesium bemg  
306 Mg2 Magnesium diatomic mg2  
307 Mg2- magnesium diatomic anion mg2-  
308 Mg2+ magnesium diatomic cation mg2+  
309 Ca2 Calcium diatomic ca2  
310 LiB Lithium boride lib  
311 LiAl Lithium Aluminum lial  
312 NaAl Sodium aluminum naal  
313 BeB Beryllium monoboride beb  
314 B2 Boron diatomic b2  
315 B2- Boron diatomic anion b2-  
316 B2+ Boron diatomic cation b2+  
317 BAl Boron Aluminum bal  
318 Al2 Aluminum diatomic al2  
319 Al2- aluminum diatomic anion al2-  
320 Al2+ aluminum diatomic cation al2+  
321 BGa Boron Gallium bga  
322 AlGa Aluminum Gallium alga  
323 Ga2 Gallium diatomic ga2  
324 HBBH Diborane(2) hbbh  
325 LiBH4 Lithium borohydride libh4  
326 B2H4 Diborane(4) D2d b2h4  
327 HBHHBH Diborane(4) C2V hbhhbh  
328 B2H6 Diborane b2h6  
329 B2H6+ Diborane cation b2h6  
330 Al2H6 dialane al2h6  
331 Ga2H6 digallane ga2h6  
332 LiC Lithium Carbide lic  
333 BeC Beryllium Carbide bec  
334 CaC Calcium monocarbide cac  
335 BC boron monocarbide bc  
336 BC- boron monocarbide anion bc-  
337 BC+ boron monocarbide cation bc+  
338 AlC Aluminum carbide alc  
339 BSi Boron silicide bsi  
340 C2 Carbon diatomic c2  
341 C2- carbon diatomic anion c2-  
342 C2+ carbon diatomic cation c2+  
343 SiC silicon monocarbide sic  
344 SiC- silicon monocarbide anion sic-  
345 SiC+ silicon monocarbide cation sic+  
346 Si2 Silicon diatomic si2  
347 Si2- silcon diatomic anion si2-  
348 Si2+ silcon diatomic cation si2+  
349 GeC Germanium monocarbide gec  
350 SiGe Silicon Germanium sige  
351 Ge2 Germanium diatomic ge2  
352 C2H Ethynyl radical c2h  
353 C2H- Ethynyl anion c2h-  
354 C2H+ Ethynyl cation c2h+  
355 ZnCH2 Zinc methylene znch2  
356 C2H2 Acetylene c2h2  
357 C2H2+ acetylene cation c2h2+  
358 CCH2 vinylidene vinylidene  
359 H2CC- vinylidene anion h2cc-  
360 HCCH- acetylene anion c2h2-  
361 Si2H2 disilyne si2h2  
362 CH3Li methyl lithium ch3li  
363 CuCH3 monomethyl copper cuch3  
364 ZnCH3 Zinc monomethyl znch3  
365 CH2BH methyleneborane ch2bh  
366 C2H3 vinyl c2h3  
367 C2H3- vinyl anion c2h3-  
368 C2H3+ vinyl cation c2h3+  
369 C2H4 Ethylene c2h4  
370 C2H4- Ethylene anion c2h4-  
371 C2H4+ Ethylene cation c2h4+  
372 CH3CH methylmethylene ch3ch  
373 CH2SiH2 silaethylene ch2sih2  
374 Si2H4 Disilene si2h4  
375 CH3BH2 methylborane ch3bh2  
376 C2H5 Ethyl radical c2h5  
377 C2H5- Ethyl anion c2h5-  
378 C2H5+ Ethyl cation c2h5+  
379 C2H6 Ethane c2h6  
380 C2H6+ ethane cation c2h6+  
381 CH3SiH3 methyl silane ch3sih3  
382 GeH3CH3 methyl germane geh3ch3  
383 C2H7+ Ethane, protonated c2h7+  
384 LiN Lithium Nitride lin  
385 LiN+ Lithium Nitride cation lin+  
386 LiP Lithium monophosphide lip  
387 BeN Beryllium mononitride ben  
388 BeN- Beryllium mononitride anion ben-  
389 BeN+ Beryllium mononitride cation ben+  
390 MgN Magnesium Nitride mgn  
391 BN- boron nitride anion bn-  
392 AlN- aluminum mononitride anion aln-  
393 AlN+ aluminum mononitride cation aln+  
394 BP Boron monophosphide bp  
395 AlP Aluminum monophosphide alp  
396 GaN Gallium mononitride gan  
397 GaP Gallium monophosphide gap  
398 GaAs Gallium arsenide gaas  
399 BN boron nitride bn  
400 BN+ boron nitride cation bn+  
401 AlN Aluminum nitride aln  
402 CN- cyanide anion cn-  
403 CN+ Cyano cation cn+  
404 CP Carbon monophosphide cp  
405 CP- carbon monophosphide anion cp-  
406 CP+ carbon monophosphide cation cp+  
407 SiN Silicon nitride sin  
408 SiN- silicon mononitride anion sin-  
409 SiN+ silicon mononitride cation sin+  
410 SiP Silicon monophosphide sip  
411 SiP- Silicon monophosphide anion sip-  
412 SiP+ Silicon monophosphide cation sip+  
413 TiN Titanium mononitride tin  
414 N2- nitrogen diatomic anion n2-  
415 N2+ diatomic nitrogen cation n2+  
416 PN Phosphorus mononitride pn  
417 PN- phosphorus nitride anion pn-  
418 PN+ phosphorus nitride cation pn+  
419 P2 Phosphorus diatomic p2  
420 P2- phosphorus diatomic anion p2-  
421 P2+ phosphorus diatomic cation p2+  
422 AsN Arsenic mononitride asn  
423 AsP Arsenic monophosphide asp  
424 SbN Antimony nitride sbn  
425 As2 Arsenic diatomic as2  
426 HNB hydrogen nitrogen boron hnb  
427 HNC hydrogen isocyanide hnc  
428 HCN- Hydrogen cyanide anion hcn-  
429 HCN+ hydrogen cyanide cation hcn+  
430 HNC+ hydrogen isocyanide cation hnc+  
431 HCP Phosphaethyne hcp  
432 HCP+ Phosphaethyne cation hcp+  
433 NNH Dinitrogen monohydride nnh  
434 HPO Hydrogen phosphorus oxide hpo  
435 HPO+ Hydrogen phosphorus oxide cation hpo+  
436 LiNH2 lithium amide linh2  
437 HBNH Boranimine hbnh  
438 CNH2 Aminomethylidyne radical cnh2  
439 CNH2+ N-protonated hydrogen isocyanide cnh2+  
440 H2CN Dihydrogen cyanide radical h2cn  
441 H2CN+ hydrocyanonium cation h2cn+  
442 HCNH methyleneazane hcnh  
443 HCNH+ N-protonated HCN hcnh+  
444 H2NN Isodiazene h2nn  
445 N2H2 (E)-diazene n2h2  
446 N2H2 (Z)-Diazene n2h2z  
447 N2H2+ trans-diazene cation n2h2+  
448 CH2NH Methanimine ch3n  
449 CH2NH+ Methanimine cation ch2nh+  
450 CHNH2 aminomethylene chnh2  
451 CHNH2+ Aminocarbene cation chnh2+  
452 CH2PH Phosphaethene ch3p  
453 BH2NH2 Boranamine bh2nh2  
454 CH2NH2+ methyleneamine cation ch2nh2+  
455 N2H4 Hydrazine n2h4  
456 N2H4+ hydrazine cation n2h4+  
457 P2H4 Diphosphine p2h4  
458 CH3NH2 methyl amine ch3nh2  
459 CH3NH2+ methyl amine cation ch3nh2+  
460 CH3PH2 Methyl phosphine ch3ph2  
461 SiH3NH2 Silane, amino sih3nh2  
462 N2H5+ protonated hydrazine n2h5+  
463 BH3PH3 borane phosphine bh3ph3  
464 BH3NH3 borane ammonia bh3nh3  
465 CH3NH3 methyl ammonium radical ch3nh3  
466 CH3NH3+ protonated methylamine ch3nh3+  
467 CH3PH3+ methyl phosphine, protonated ch3ph3+  
468 NH3NH3 Ammonia Dimer nh3nh3  
469 N2H7+ ammonia ammonium dimer n2h7+  
470 LiO lithium oxide lio  
471 LiO- lithium oxide anion lio-  
472 LiO+ lithium oxide cation lio+  
473 LiS Lithium monosulfide lis  
474 LiS+ Lithium sulfide cation lis+  
475 NaO sodium monoxide nao  
476 NaO- sodium oxide anion nao-  
477 NaO+ sodium oxide cation nao+  
478 KO Potassium monoxide ko  
479 KO+ Potassium monoxide cation ko+  
480 NaS Sodium sulfide nas  
481 CuO Copper Monoxide cuo  
482 LiSe Lithium monoselenide lise  
483 BeO beryllium oxide beo  
484 BeO- Beryllium monoxide anion beo-  
485 BeO+ Beryllium monoxide cation beo+  
486 BeS beryllium sulfide bes  
487 MgO magnesium oxide mgo  
488 MgO- magnesium oxide anion mgo-  
489 MgO+ magnesium oxide cation mgo+  
490 CaO Calcium monoxide cao  
491 MgS magnesium sulfide mgs  
492 MgS- magnesium sulfide anion mgs-  
493 MgS+ magnesium sulfide cation mgs+  
494 ZnO zinc monoxide zno  
495 ZnS Zinc sulfide zns  
496 BeS- Beryllium monosulfide anion bes-  
497 BeS+ Beryllium monosulfide cation bes+  
498 BO- boron monoxide anion bo-  
499 AlO Aluminum monoxide alo  
500 AlO- Aluminum monoxide anion alo-  
501 AlO+ aluminum monoxide cation alo+  
502 BS boron sulfide bs  
503 BS- boron monosulfide anion bs-  
504 BS+ boron monosulfide cation bs+  
505 AlS Aluminum sulfide als  
506 AlS- aluminum monosulfide anion als-  
507 AlS+ aluminum monosulfide cation als+  
508 ScO Scandium monoxide sco  
509 GaO Gallium monoxide gao  
510 GaS Gallium monosulfide gas  
511 BO+ boron monoxide cation bo+  
512 CS carbon monosulfide cs  
513 CS- carbon monosulfide anion cs-  
514 CS+ carbon monosulfide cation cs+  
515 SiO Silicon monoxide sio  
516 SiO- silicon monoxide anion sio-  
517 SiO+ silicon monoxide cation sio+  
518 SiS silicon monosulfide sis  
519 SiS- silicon monosulfide anion sis-  
520 SiS+ silicon monosulfide cation sis+  
521 TiO Titanium monoxide tio  
522 CSe Carbon monoselenide cse  
523 CSe- Carbon monoselenide anion cse-  
524 CSe+ Carbon monoselenide cation cse+  
525 GeO Germanium monoxide geo  
526 GeO+ Germanium monoxide cation geo+  
527 GeS Germanium monosulfide ges  
528 SiSe Silicon Monoselenide sise  
529 SiSe+ Silicon Monoselenide cation sise+  
530 GeSe Germanium monoselenide gese  
531 NO- nitric oxide anion no-  
532 NO+ nitric oxide cation no+  
533 NS- nitrogen sulfide anion ns-  
534 NS+ nitrogen sulfide cation ns+  
535 PO- phosphorus monoxide anion po-  
536 PO+ phosphorus monoxide cation po+  
537 PS phosphorus sulfide ps  
538 PS- phosphorus monosulfide anion ps-  
539 PS+ phosphorus monosulfide cation ps+  
540 VO Vanadium monoxide vo  
541 AsO Arsenic monoxide aso  
542 NSe Nitrogen monoselenide nse  
543 AsS Arsenic monosulfide ass  
544 PSe Phosphorus monoselenide pse  
545 AsSe Arsenic monoselenide asse  
546 O2- oxygen diatomic anion o2-  
547 O2-- dioxygen dianion o2--  
548 O2+ diatomic oxygen cation o2+  
549 SO- sulfur monoxide anion so-  
550 SO+ sulfur monoxide cation so+  
551 S2 Sulfur diatomic s2  
552 S2- sulfur diatomic anion s2-  
553 S2+ sulfur diatomic cation s2+  
554 SeO Selenium monoxide seo  
555 SeO- selenium monoxide anion seo-  
556 SeO+ selenium monoxide cation seo+  
557 SeS Selenium monosulfide ses  
558 SeS- selenium monosulfide anion ses-  
559 SeS+ selenium monosulfide cation ses+  
560 TeO Tellurium monoxide teo  
561 Se2 Selenium diatomic se2  
562 Se2- selenium diatomic anion se2-  
563 Se2+ selenium diatomic cation se2+  
564 Te2 Tellurium diatomic te2  
565 LiOH lithium hydroxide lioh  
566 NaOH sodium hydroxide naoh  
567 KOH Potassium hydroxide koh  
568 BeOH beryllium monohydroxide beoh  
569 MgOH magnesium hydroxide mgoh  
570 CaOH Calcium monohydroxide caoh  
571 HBO Boron hydride oxide hbo  
572 HBS hydrogen boron sulfide hbs  
573 COH Hydroxymethylidyne coh  
574 COH+ Carbon Monoxide, protonated coh+  
575 HCO Formyl radical hco  
576 HCO- formyl anion hco-  
577 HCO+ Formyl cation hco+  
578 HCS Thioformyl radical hcs  
579 HCS- Thioformyl anion hcs-  
580 HCS+ Thioformyl cation hcs+  
581 HNO Nitrosyl hydride hno  
582 HNO- Nitrosyl hydride anion hno-  
583 HNO+ Nitrosyl hydride cation hno+  
584 NOH Hydroxyimidogen noh  
585 NOH+ O-protonated nitric oxide noh+  
586 HNS Sulfur imide hns  
587 HNS- Sulfur imide anion hns-  
588 HO2 Hydroperoxy radical ho2  
589 HO2- Hydroperoxy anion ho2-  
590 HO2+ Hydroperoxy cation ho2+  
591 HSO+ Sulfur Monoxide, S-protonated HSO+  
592 SOH Sulfur Hydroxide soh  
593 SOH+ Sulfur Monoxide, protonated soh+  
594 HS2 Thiosulfeno radical hs2  
595 H2CO Formaldehyde h2co  
596 H2CO- formaldehyde anion h2co-  
597 H2CO+ formaldehyde cation h2co+  
598 HOCH hydroxycarbene hoch  
599 H2CS Thioformaldehyde h2cs  
600 H2CS- thioformaldehyde anion h2cs-  
601 H2CS+ thioformaldehyde cation h2cs+  
602 H2CSe Selenoformaldehyde h2cse  
603 H2NO nitroxide h2no  
604 H2O2 Hydrogen peroxide h2o2  
605 H2O2+ Hydrogen peroxide cation h2o2+  
606 H2OO water oxide h2oo  
607 HOSH hydrogen thioperoxide hosh  
608 H2S2 Disulfane h2s2  
609 H2S2+ hydrogen disulfide cation h2s2+  
610 H2Se2 hydrogen diselenide h2se2  
611 CH2OH Hydroxymethyl radical ch2oh  
612 CH2OH+ hydroxymethyl cation ch2oh+  
613 CH3O Methoxy radical ch3o  
614 CH3O- methoxy anion ch3o-  
615 CH3O+ Methoxy cation ch3o+  
616 CH3S thiomethoxy ch3s  
617 H2CSH+ Thioformaldehyde, protonated h2csh+  
618 NH2OH hydroxylamine nh2oh  
619 NH2OH+ Hydroxylamine cation nh2oh+  
620 NH3O Ammonia Oxide nh3o  
621 H2POH Phosphinous acid h2poh  
622 H3PO Phosphine oxide h3po  
623 NH2SH Thiohydroxylamine nh2sh  
624 NH3S sulfidoazane nh3s  
625 H3O2+ hydrogen peroxide, protonated h3o2+  
626 CH3OH Methyl alcohol ch3oh  
627 CH3OH- Methyl alcohol anion ch3oh-  
628 CH3OH+ Methyl alcohol cation ch3oh+  
629 CH3SH+ Methanethiol cation ch3sh+  
630 SiH3OH silanol sih3oh  
631 CH3SeH Methane selenol ch3seh  
632 NH2OH2+ protonated hydroxylamine nh2oh2+  
633 NH3OH+ N-protonated hydroxylamine nh3oh+  
634 H2OH2O water dimer h2oh2o  
635 CH3OH2+ Methanol, protonated ch3oh2+  
636 H2ONH3 Water Ammonia Dimer h2onh3  
637 H5O2+ Dihydroxonium ion h5o2+  
638 LiF lithium fluoride lif  
639 LiCl lithium chloride licl  
640 LiCl- lithium chloride anion licl-  
641 LiCl+ lithium chloride cation licl+  
642 NaF sodium fluoride naf  
643 NaF- sodium fluoride anion naf-  
644 NaF+ sodium fluoride cation naf+  
645 KF Potassium Fluoride kf  
646 NaCl Sodium Chloride nacl  
647 NaCl- sodium chloride anion nacl-  
648 NaCl+ sodium chloride cation nacl+  
649 KCl Potassium Chloride kcl  
650 CuF Copper monofluoride cuf  
651 LiBr Lithium Bromide libr  
652 LiBr- lithium bromide anion libr-  
653 LiBr+ lithium bromide cation libr+  
654 CuCl Copper monochloride cucl  
655 NaBr Sodium Bromide nabr  
656 NaBr- sodium bromide anion nabr-  
657 NaBr+ sodium bromide cation nabr+  
658 KBr Potassium Bromide kbr  
659 LiI Lithium Iodide lii  
660 NaI Sodium Iodide nai  
661 KI Potassium Iodide ki  
662 LiF- lithium fluoride anion lif-  
663 LiF+ lithium fluoride cation lif+  
664 BeF Beryllium monofluoride bef  
665 BeF- Beryllium monofluoride anion bef-  
666 BeF+ Beryllium monofluoride cation bef+  
667 BeCl beryllium monochloride becl  
668 MgF Magnesium monofluoride mgf  
669 MgF- magnesium fluoride anion mgf-  
670 MgF+ magnesium fluoride cation mgf+  
671 CaF Calcium monofluoride caf  
672 MgCl magnesium monochloride mgcl  
673 MgCl- magnesium monochloride anion mgcl-  
674 MgCl+ magnesium monochloride cation mgcl+  
675 CaCl calcium monochloride cacl  
676 TiCl Titanium Monochloride ticl  
677 ZnF Zinc monofluoride znf  
678 ZnF- Zinc monofluoride anion znf-  
679 ZnF+ Zinc monofluoride cation znf+  
680 ZnCl Zinc monochloride zncl  
681 CaBr Calcium monobromide cabr  
682 BeCl- beryllium monochloride anion becl-  
683 BeCl+ beryllium monochloride cation becl+  
684 BF Boron monofluoride bf  
685 BF- Boron monofluoride anion bf-  
686 BF+ Boron monofluoride cation bf+  
687 AlF Aluminum monofluoride alf  
688 AlF- Aluminum monofluoride anion alf-  
689 AlF+ Aluminum monofluoride cation alf+  
690 BCl boron monochloride bcl  
691 BCl- boron monochloride anion bcl-  
692 BCl+ boron monochloride cation bcl+  
693 AlCl Aluminum monochloride alcl  
694 AlCl- aluminum monochloride anion alcl-  
695 AlCl+ aluminum monochloride cation alcl+  
696 ScF Scandium monofluoride scf  
697 BBr Boron monobromide bbr  
698 GaF Gallium monofluoride gaf  
699 GaF+ Gallium monofluoride cation gaf+  
700 AlBr Aluminum monobromide albr  
701 GaCl Gallium monochloride gacl  
702 GaCl+ Gallium monochloride cation gacl+  
703 AlI Aluminum monoiodide ali  
704 GaBr Gallium monobromide gabr  
705 CF Fluoromethylidyne cf  
706 CF- carbon monofluoride anion cf-  
707 CF+ carbon monofluoride cation cf+  
708 CCl carbon monochloride ccl  
709 CCl- carbon monochloride anion ccl-  
710 CCl+ carbon monochloride cation ccl+  
711 SiF silicon monofluoride sif  
712 SiF- silicon monofluoride anion sif-  
713 SiF+ silicon monofluoride cation sif+  
714 SiCl Clorosilylidyne sicl  
715 SiCl- silicon monochloride anion sicl-  
716 SiCl+ silicon monochloride cation sicl+  
717 CBr Carbon monobromide cbr  
718 GeF Germanium monofluoride gef  
719 GeF+ Germanium monofluoride cation gef+  
720 GeCl Germanium monochloride gecl  
721 GeCl+ Germanium monochloride cation gecl+  
722 SiBr Silicon monobromide sibr  
723 SiBr+ Silicon monobromide cation sibr+  
724 NF nitrogen fluoride nf  
725 NF- nitrogen monofluorine anion nf-  
726 NF+ nitrogen monofluoirde cation nf+  
727 NCl- nitrogen monochloride anion ncl-  
728 NCl+ nitrogen monochloride cation ncl+  
729 PF phosphorus monofluoride pf  
730 PF- phosphorus monofluoride anion pf-  
731 PF+ phosphorus monofluoride cation pf+  
732 PCl phosphorus chloride pcl  
733 PCl- phosphorus monochloride anion pcl-  
734 PCl+ phosphorus monochloride cation pcl+  
735 AsF Arsenic monofluoride asf  
736 NBr nitrogen monobromide nbr  
737 AsCl Arsenic monochloride ascl  
738 PBr Phosphorus monobromide pbr  
739 SbF Antimony monofluoride sbf  
740 SbCl Antimony monochloride sbcl  
741 FO Oxygen monofluoride fo  
742 FO- flourine oxide anion fo-  
743 FO+ fluorine monoxide cation fo+  
744 ClO- chlorine monoxide anion clo-  
745 ClO+ chlorine monoxide cation clo+  
746 SF Monosulfur monofluoride sf  
747 SF- sulfur monofluoride anion sf-  
748 SF+ sulfur monofluoride cation sf+  
749 SCl- sulfur monochloride anion scl-  
750 SCl+ sulfur monochloride cation scl+  
751 BrO Bromine monoxide bro  
752 BrO- Bromine monoxide anion bro-  
753 BrO+ Bromine monoxide cation bro+  
754 SeF Selenium monofluoride sef  
755 SBr Sulfur monobromide radical sbr  
756 SBr+ Sulfur monobromide cation sbr+  
757 SeCl Selenium monochloride secl  
758 IO Iodine monoxide io  
759 SeBr Selenium monobromide sebr  
760 BrCl Bromine monochloride brcl  
761 F2- flourine diatomic anion f2-  
762 F2+ flourine diatomic cation f2+  
763 ClF- clorine monofluoride anion clf-  
764 ClF+ clorine monofluoride cation clf+  
765 Cl2- chlorine diatomic anion cl2-  
766 BrF Bromine monofluoride brf  
767 BrF- bromine fluoride anion brf-  
768 BrF+ bromine fluoride cation brf+  
769 BrCl- bromine chloride anion brcl-  
770 BrCl+ bromine chloride cation brcl+  
771 IF Iodine monofluoride if  
772 Br2 Bromine diatomic br2  
773 Br2- bromine diatomic anion br2-  
774 Br2+ bromine diatomic cation br2+  
775 ICl Iodine monochloride icl  
776 IBr Iodine monobromide ibr  
777 I2 Iodine diatomic i2  
778 I2+ Iodine diatomic cation i2+  
779 HCF Fluoromethylene hcf  
780 HCCl Chloromethylene hccl  
781 HSiF fluorosilylene hsif  
782 HSiCl Chlorosilylene hsicl  
783 HSiBr monobromosilylene hsibr  
784 CHBr bromomethylene chbr  
785 HOF Hypofluorous acid hfo  
786 DOCl Hypochlorous acid-d docl  
787 HOCl hypochlorous acid hocl  
788 HOCl+ hypochlorous acid cation hocl+  
789 HOBr Hypobromous acid hobr  
790 HOBr+ Hypobromous acid cation hobr+  
791 HOI Hypoiodous acid hoi  
792 F2H+ Fluorine, protonated f2h+  
793 FHF Hydrogen difluoride fhf  
794 FHF- Hydrogen difluoride anion fhf-  
795 ClFH+ Chlorine fluoride, F-protonated clfh+  
796 FClH+ Chlorine fluoride, Cl-protonated fclh+  
797 Cl2H+ Chlorine, protonated cl2h+  
798 CH2Br bromomethyl radical ch2br  
799 CH2F fluoromethyl radical ch2f  
800 CH2F+ fluoromethyl cation ch2f+  
801 CH2Cl+ chloromethyl cation ch2cl+  
802 CH2Cl chloromethyl radical ch2cl  
803 NH2F monofluoroamine nh2f  
804 NH2Cl chloramine nh2cl  
805 H2F2 Hydrogen fluoride dimer h2f2  
806 CH3F+ methyl fluoride cation ch3f+  
807 CD3F methylfluoride-d3 cd3f  
808 CH3F Methyl fluoride ch3f  
809 CD3Cl methyl chloride d3 cd3cl  
810 CH3Cl+ Methyl chloride cation ch3cl+  
811 SiH3F monofluorosilane sih3f  
812 SiH3Cl chlorosilane sih3cl  
813 CH3Br methyl bromide ch3br  
814 GeH3F monofluorogermane geh3f  
815 GeH3Cl monochlorogermane geh3cl  
816 SiH3Br bromosilane sih3br  
817 CH3I methyl iodide ch3i  
818 SiH3I Silyl Iodide sih3i  
819 NH3Cl+ protonated monochloroammonia nh3cl+  
820 CH3ClH+ methyl chloride, protonated ch3clh+  
821 NH4Cl Ammonium chloride nh4cl  
822 LiNe+ Lithium Neon cation line+  
823 Ne2 Neon diatomic ne2  
824 Ne2+ Neon diatomic cation ne2+  
825 Ar2 Argon diatomic ar2  
826 Ar2+ Argon diatomic cation ar2+  
827 Li3 Lithium trimer li3  
828 Li3+ Lithium trimer cation li3+  
829 C3 carbon trimer c3  
830 C3+ carbon trimer cation c3+  
831 SiC2 Silicon dicarbide sic2  
832 C3H3 cyclopropenyl radical cpr  
833 C3H3 Propargyl radical propargyl  
834 C3H3- Propargyl anion c3h3-  
835 C3H3+ cyclopropenyl cation cpr+  
836 C3H3+ Propargyl cation c3h3+  
837 C3H4 cyclopropene cprop  
838 CH2CCH2 allene allene  
839 CH3CCH propyne propyne  
840 C3H5 Allyl radical allyl  
841 C3H5+ Allyl cation allyl+  
842 CH3CHCH 1-propenyl radical ch3chch  
843 Zn(CH3)2 dimethyl zinc dmz  
844 C3H6 Cyclopropane c3h6  
845 CH2CHCH3 Propene propene  
846 C3H7 n-Propyl radical npropyl  
847 C3H7+ cyclopropane, protonated c3h7+  
848 CH3CHCH3 Isopropyl radical isopropyl  
849 CH3CHCH3+ Isopropyl cation prop2yl+  
850 C3H8 Propane propane  
851 SiH2(CH3)2 dimethylsilane dms  
852 LiCN lithium cyanide licn  
853 NaCN Sodium Cyanide nacn  
854 KCN Potassium cyanide kcn  
855 CuCN Copper cyanide cucn  
856 ZnCN Zinc monocyanide zncn  
857 ZnNC Zinc isocyanide znnc  
858 AlCN Aluminum monocyanide alcn  
859 AlNC Aluminum isocyanide alnc  
860 CN2 3H-Diazirin-3-ylidene cn2  
861 CNN Diazocarbene cnn  
862 NCN Cyanoimidogen ncn  
863 N3 azide radical n3  
864 N3- azide anion n3-  
865 N3+ azide cation n3+  
866 HCCN cyanomethylene hccn  
867 HCNN diazomethyl radical hcnn  
868 HN3 hydrogen azide hn3  
869 HN3+ Hydrazoic acid cation hn3+  
870 HNCNH diiminomethane hncnh  
871 CH2N2 diazirine ch2n2  
872 CH2NN diazomethane ch2nn  
873 NH2CN cyanamide cyanamide  
874 HNNNH+ 1,2-Triazadienium n2h3+  
875 NH2NN+ hydrazoic acid, protonated nh2nn+  
876 CH3CN Acetonitrile ch3cn  
877 CH3CN- acetonitrile anion ch3cn-  
878 CH3CN+ Acetonitrile cation ch3cn+  
879 CH3NC methyl isocyanide ch3nc  
880 CHNCH2 2H-Azirine c157164  
881 CHNHCH 1H-Azirine chnhch  
882 H2CCNH Ethenimine ch2cnh  
883 H2CNCH methyleneaminomethylene ch2nch  
884 HCCNH2 Ethynamine hccnh2  
885 HCNCH2+ 2H-Azirine cation hcnch2+  
886 HNCNH2+ diiminomethane, protonated hncnh2+  
887 NCNH3+ Cyanamide, protonated ncnh3+  
888 NH2CNH+ cyanamide, cn protonated nh2cnh+  
889 NH3CN+ cyanamide, amine protonated nh3cn+  
890 CH2CHNH vinylazine ch2chnh  
891 CH3CHN methylmethaniminyl radical ch3chn  
892 NHCHNH2 aminomethanimine cn2h4  
893 C2H5N Aziridine c2h5n  
894 CH2CHNH2 aminoethene aminoethene  
895 CH2NCH3 N-methylmethanimine nmm  
896 CH3CHNH ethanimine ethanimine  
897 NH2BHNH2 diaminoborane nh2bhnh2  
898 C2H5NH+ Protonated Aziridine c2h5nh+  
899 C2H6N+ aziridine, protonated c2h6n+  
900 NH2CH2NH2 diaminomethane nh2ch2nh2  
901 CH3CH2NH2 Ethylamine etam  
902 CH3NHCH3 Dimethylamine ch3nhch3  
903 CH3PHCH3 dimethylphosphine ch3phch3  
904 NH2CH2NH3+ diaminoethane, protonated pdam  
905 (CH3)2NH2+ dimethylammonium cation dmam  
906 CH3CH2NH3+ ethylamine, protonated pea  
907 Li2O dilithium oxide li2o  
908 Li2O+ dilithium oxide cation li2o+  
909 Li2S dilithium sulfide li2s  
910 Na2O disodium monoxide na2o  
911 Na2S Sodium sulfide na2s  
912 LiO2 Lithium dioxide lio2  
913 NaO2 Sodium superoxide nao2  
914 CCO Dicarbon monoxide cco  
915 CNO- fulminate cno-  
916 NCO isocyanato radical nco  
917 NCO- cyanate nco-  
918 SCN thiocyanato radical scn  
919 SCN- thiocyanide anion scn-  
920 BO2 Boron dioxide bo2  
921 BO2- Boron dioxide anion bo2-  
922 BO2+ Boron dioxide cation bo2+  
923 N2O Nitrous oxide n2o  
924 N2O- Nitrous oxide anion n2o-  
925 N2O+ Nitrous oxide cation n2o+  
926 NNS Nitrogen sulfide nns  
927 PPO Phosphorus oxide phosphide ppo  
928 CO2- Carbon dioxide anion co2-  
929 CO2+ Carbon dioxide cation co2+  
930 OCS Carbonyl sulfide cos  
931 OCS+ Carbonyl sulfide cation cos+  
932 SiO2 silicon dioxide sio2  
933 CS2 Carbon disulfide cs2  
934 CS2- Carbon disulfide anion cs2-  
935 CS2+ Carbon disulfide cation cs2+  
936 TiO2 Titanium dioxide tio2  
937 SiS2 Silicon disulfide sis2  
938 GeO2 Germanium dioxide geo2  
939 OCSe Carbonyl selenide ocse  
940 SCSe Carbon sulfide selenide scse  
941 GeS2 Germanium disulfide ges2  
942 CSe2 Carbon diselenide cse2  
943 SCTe Carbon sulfide Telluride scte  
944 NO2 Nitrogen dioxide no2  
945 NO2- Nitrogen dioxide anion no2-  
946 NO2+ Nitrogen dioxide cation no2+  
947 PO2 Phosphorus dioxide po2  
948 PO2- Phosphorus dioxide anion po2-  
949 PO2+ Phosphorus dioxide cation po2+  
950 AsO2 Aresenic dioxide aso2  
951 O3 Ozone o3  
952 O3- Ozone anion o3-  
953 O3+ Ozone cation o3+  
954 SO2 Sulfur dioxide so2  
955 SO2- Sulfur dioxide anion so2-  
956 SO2+ Sulfur dioxide cation so2+  
957 SSO Disulfur monoxide sso  
958 S3 Sulfur trimer s3  
959 S3- Sulfur trimer anion s3-  
960 S3+ Sulfur trimer cation s3+  
961 SeO2 Selenium dioxide seo2  
962 SeO2+ Selenium dioxide cation seo2+  
963 TeO2 Tellurium Dioxide teo2  
964 HCCO ketenyl radical ketenyl  
965 CS2H+ Carbon disulfide, protonated cs2h+  
966 HCNO fulminic acid hcno  
967 HNCO Isocyanic acid hnco  
968 HOCN cyanic acid hocn  
969 HNCS Isothiocyanic acid hncs  
970 HSCN thiocyanic acid hscn  
971 HCO2- formate anion hco2-  
972 HNNO nitrosoazane hnno  
973 HNNO+ Nitrous oxide, N-protonated hnno+  
974 NNOH+ Nitrous Oxide, O-protonated nnoh+  
975 HCOO formate neutral radical hcoo  
976 HOCO Hydrocarboxyl radical hoco  
977 HOCO+ Hydrocarboxyl cation hoco+  
978 HNO2 Nitrous acid hno2  
979 HNO2+ nitrous acid cation hno2+  
980 O3H+ protonated ozone o3h+  
981 SO2H+ protonated sulfur dioxide so2h+  
982 C2H2O Oxirene oxirene  
983 CH2CO Ketene ch2co  
984 CH2CO+ Ketene cation ch2co+  
985 HCCOH ethynol hccoh  
986 CH2CS Thioketene ch2cs  
987 Be(OH)2 Beryllium hydroxide beo2h2  
988 Mg(OH)2 Magnesium dihydroxide h2mgo2  
989 NH2NO Nitrosamide nh2no  
990 CH2O2 Dioxirane diox  
991 H2COO Dioxymethyl radical h2coo  
992 H2COO+ dioxymethyl cation h2coo+  
993 HCOOH Formic acid ch2o2  
994 H2O3 Hydrogen trioxide h2o3  
995 HSSSH trisulfane hsssh  
996 NaOCH3 Sodium methoxide naoch3  
997 CH2BOH hydroxy(methylene)borane ch2boh  
998 CH3BO Borane, methyloxo- ch3bo  
999 CH2CHO Vinyloxy radical ch2cho  
1000 CH2COH+ ketene, protonated ch2coh+  
1001 CH3CO Acetyl radical ch3co  
1002 CH3CO- Acetyl anion ch3co-  
1003 CH3CO+ acetyl cation ch3co+  
1004 CH2NOH formaldoxime ch2noh  
1005 CH3NO nitrosomethane ch3no  
1006 CHONH2 formamide formamide  
1007 CNOH3 1,2-oxaziridine cnoh3  
1008 HOCHNH hydroxymethylimine hochnh  
1009 CHSNH2 thioformamide chsnh2  
1010 NHCHSH Methanimidothioic acid nhchsh  
1011 CH2OOH CH2OOH radical ch2ooh  
1012 CH3OO methylperoxy radical ch3oo  
1013 CH3OO- methylperoxy anion ch3oo-  
1014 CH3OO+ methylperoxy cation ch3oo+  
1015 C2H4O Ethylene oxide c2h4o  
1016 C2H4O+ ethylene oxide cation c2h4o+  
1017 CH2CHOH ethenol ch2choh  
1018 CH3CHO Acetaldehyde ch3cho  
1019 CH3CHO+ acetaldehyde cation ch3cho+  
1020 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1021 C2H4S Thiirane thiirane  
1022 CH2CHSH Ethenethiol ch2chsh  
1023 CH3CHS Thioacetaldehyde ch3chs  
1024 H2CONH2+ protonated formamide h2conh2+  
1025 NH2CHOH+ Formamide, O-protonated nh2choh+  
1026 NH3CHO+ Formamide, N-Protonated nh3cho+  
1027 CH2(OH)2 methanediol ch2o2h2  
1028 CH3OOH Methyl peroxide ch3ooh  
1029 CH3SSH Hydrogen methyl disulfide ch3ssh  
1030 HSCH2SH Methanedithiol ch4s2  
1031 H2OH2CO water formaldehyde dimer h2oh2co  
1032 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1033 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1034 CH3CH2O Ethoxy radical ethoxy  
1035 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1036 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1037 CH3OCH2 methoxymethyl radical ch3och2  
1038 NH2CH2OH aminomethanol nh2ch2oh  
1039 CH3CH2OH Ethanol etoh  
1040 CH3OCH3 Dimethyl ether meome  
1041 CH3CH2SH ethanethiol etsh  
1042 CH3SCH3 Dimethyl sulfide mesme  
1043 CH3SCH3+ dimethyl sulfide cation mesme+  
1044 CH3SeCH3 dimethylselenide dmse  
1045 CH3OHH2O methanol water dimer ch3ohh2o  
1046 H2OCH3OH water methanol dimer h2och3oh  
1047 CuF2 Copper difluoride cuf2  
1048 ZnF2 Zinc difluoride znf2  
1049 CNF iso cyanogen fluoride cnf  
1050 FCN Cyanogen fluoride fcn  
1051 ClCN chlorocyanogen clcn  
1052 BrCN Cyanogen bromide brcn  
1053 ICN Cyanogen iodide icn  
1054 FBO Boron monofluoride monoxide fbo  
1055 BeF2 Beryllium fluoride bef2  
1056 MgF2 Magnesium fluoride mgf2  
1057 BeCl2 Beryllium chloride becl2  
1058 MgCl2 Magnesium dichloride mgcl2  
1059 CaCl2 Calcium Chloride cacl2  
1060 ZnCl2 Zinc dichloride zncl2  
1061 BeBr2 Beryllium bromide bebr2  
1062 CaBr2 Calcium dibromide cabr2  
1063 CaF2 Calcium difluoride caf2  
1064 FCO Carbonyl fluoride fco  
1065 FCO+ Carbonyl fluoride cation fco+  
1066 ClCO carbonyl monochloride clco  
1067 BF2 Boron difluoride radical bf2  
1068 FNO Nitrosyl fluoride fno  
1069 ClNO Nitrosyl chloride clno  
1070 OPCl Phosphorus oxychloride opcl  
1071 BrNO Nitrosyl bromide brno  
1072 INO Nitrosyl iodide ino  
1073 CF2 Difluoromethylene cf2  
1074 CF2- Difluoromethylene anion cf2-  
1075 CF2+ Difluoromethylene cation cf2+  
1076 CFCl chlorofluoromethylene cfcl  
1077 SiF2 Silicon difluoride sif2  
1078 SiF2+ Silicon difluoride cation sif2+  
1079 CCl2 dichloromethylene ccl2  
1080 CCl2- dichloromethylene anion ccl2-  
1081 CCl2+ dichloromethylene cation ccl2+  
1082 SiCl2 Dichlorosilylene sicl2  
1083 GeF2 Germanium difluoride gef2  
1084 GeCl2 Germanium dichloride gecl2  
1085 CBr2 dibromomethylene cbr2  
1086 FOO Dioxygen monofluoride radical foo  
1087 FOO+ Fluorine dioxide cation foo+  
1088 ClOO chloroperoxy radical cloo  
1089 ClOO+ chloroperoxy cation cloo+  
1090 OClO- Chlorine dioxide anion oclo-  
1091 OClO+ Chlorine dioxide cation oclo+  
1092 ClS2 Sulfur chloride cls2  
1093 BrOO Bromine dioxide broo  
1094 OBrO Bromine dioxide radical obro  
1095 NF2 Difluoroamino radical nf2  
1096 NF2+ Difluoroamino cation nf2+  
1097 PF2 Phosphorus difluoride pf2  
1098 PF2+ Phosphorus difluoride cation pf2+  
1099 F2O Difluorine monoxide f2o  
1100 SF2 sulfur difluoride sf2  
1101 SF2- sulfur difluoride anion sf2-  
1102 SF2+ sulfur difluoride cation sf2+  
1103 Cl2O Dichlorine monoxide cl2o  
1104 SCl2 Sulfur dichloride scl2  
1105 SeF2 Selenium difluoride sef2  
1106 BrOCl Bromine hypochlorite brocl  
1107 SeCl2 Selenium Dichloride secl2  
1108 SBr2 Sulfur dibromide sbr2  
1109 SeBr2 Selenium dibromide sebr2  
1110 BrOBr Bromine oxide brobr  
1111 F3- trifluoride anion f3-  
1112 Cl3- trichloride anion cl3-  
1113 Br3- tribromide anion br3-  
1114 I3- triiodide i3-  
1115 SFCl Sulfur chloride fluoride sfcl  
1116 HCCF Fluoroacetylene hccf  
1117 HCCF+ fluoroacetylene cation hccf+  
1118 HCCCl Chloroacetylene hcccl  
1119 HCCBr bromoacetylene hccbr  
1120 HFCO formyl fluoride hfco  
1121 HFCO+ formyl fluoride cation hfco+  
1122 COHCl Formyl chloride cohcl  
1123 COHBr Formyl bromide cohbr  
1124 BHF2 Difluoroborane bhf2  
1125 BHCl2 Borane, dichloro- bhcl2  
1126 CHCl2 dichloromethyl radical chcl2  
1127 CHF2 difluoromethyl radical chf2  
1128 CHF2+ difluoromethyl cation chf2+  
1129 CHFCl Chlorofluoromethyl radical chfcl  
1130 CHFCl+ Chlorofluoromethyl cation chfcl+  
1131 CHCl2+ dichloromethyl cation chcl2+  
1132 CHBr2 dibromomethyl radical chbr2  
1133 HOClO Chlorous acid hoclo  
1134 NHF2 difluoramine nhf2  
1135 NHCl2 dichloroamine nhcl2  
1136 CH2F2 Methane, difluoro- ch2f2  
1137 CH2FCl fluorochloromethane ch2fcl  
1138 SiH2F2 difluorosilane sih2f2  
1139 CH2Cl2 Methylene chloride ch2cl2  
1140 CH2BrF Methane, bromofluoro- ch2fbr  
1141 CH2BrCl Methane, bromochloro- ch2clbr  
1142 CH2FI fluoroiodomethane ch2fi  
1143 CH2Br2 dibromomethane ch2br2  
1144 CH2ClI chloroiodomethane ch2cli  
1145 CH2BrI bromoiodomethane ch2bri  
1146 CH2I2 Diiodomethane ch2i2  
1147 SiH2Cl2 dichlorosilane sih2cl2  
1148 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1149 CH2CHF Ethene, fluoro- ch2chf  
1150 CH2CHF+ fluoroethene cation ch2chf+  
1151 C2H3Cl Ethene, chloro- ch2chcl  
1152 C2H3Br vinyl bromide c2h3br  
1153 C2H3I Vinyl iodide c2h3i  
1154 CH2FOH fluoromethanol ch2foh  
1155 CH3OCl methyl hypochlorite ch3ocl  
1156 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1157 CHClCH3 1-chloroethyl radical chclch3  
1158 C2H5F fluoroethane c2h5f  
1159 CH3CH2Cl Ethyl chloride c2h5cl  
1160 CH3SiFH2 fluoromethylsilane ch3sifh2  
1161 C2H5Br Ethyl bromide etbr  
1162 C2H5I Ethyl iodide c2h5i  
1163 KrF2 Krypton difluoride krf2  
1164 XeF2 Xenon difluoride xef2  
1165 B4H10 Tetraborane(10) b4h10  
1166 C4 Carbon tetramer c4  
1167 C4+ Carbon tetramer cation c4+  
1168 C4H2 Diacetylene c4h2  
1169 C4H2+ diacetlyene cation c4h2+  
1170 C2H3CCH 1-Buten-3-yne c2h3cch  
1171 C4H4 cyclobutadiene cbd  
1172 C4H4 Tetrahedrane c4h4  
1173 H2CCCCH2 Butatriene h2cccch2  
1174 C4H6 1-Methylcyclopropene c3100047  
1175 C4H6 Cyclobutene c822355  
1176 C4H6 Methylenecyclopropane c6142730  
1177 CH2CCHCH3 1,2-Butadiene butad12  
1178 CH2CHCHCH2 1,3-Butadiene c106990  
1179 CH3CCCH3 2-Butyne c503173  
1180 CHCCH2CH3 1-Butyne c107006  
1181 CH3CHCHCH2 methylallyl radical c4h7  
1182 C4H8 methylcyclopropane mcp  
1183 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1184 CH2CHCH2CH3 1-Butene bute1  
1185 CH3CHCHCH3 2-Butene, (E)- bute2e  
1186 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1187 B(CH3)3 trimethylborane bme3  
1188 Al(CH3)3 trimethyl aluminum tma  
1189 C(CH3)3 Tert-butyl radical tbutyl  
1190 CH2CH(CH3)2 Isobutyl radical isobutyl  
1191 CH3CHCH2CH3 2-Butyl radical butyl2  
1192 CH3CH(CH3)CH3 Isobutane isobutane  
1193 CH3CH2CH2CH3 Butane butane  
1194 SiH(CH3)3 trimethylsilane trimsi  
1195 Li3N trilithium nitride li3n  
1196 C2N2 Cyanogen c2n2  
1197 C2N2+ Cyanogen cation c2n2+  
1198 P4 Phosphorus tetramer p4  
1199 As4 Arsenic tetramer as4  
1200 HCCCN Cyanoacetylene hcccn  
1201 HCCCN+ Cyanoacetylene cation hcccn+  
1202 H2CNCN cyanamide, methylene ch2ncn  
1203 HNCCNH Ethenediimine hnccnh  
1204 C3H3N acrylonitrile ch2chcn  
1205 C3H3N+ acrylonitrile cation ch2chcn+  
1206 CH3N3 methyl azide ch3n3  
1207 NH2CCNH2 Diaminoacetylene daa  
1208 NH2CH2CN Aminoacetonitrile aan  
1209 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1210 C2H5CN ethyl cyanide c2h5cn  
1211 CH5N3 Guanidine guanidine  
1212 C4H6 Bicyclo[1.1.0]butane c157335  
1213 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1214 H2NCHCHNH2 diaminoethylene dae  
1215 CH6N3+ guanidinium ch6n3+  
1216 C3H7N Cyclopropylamine cpram  
1217 CH7N3 triaminomethane tam  
1218 C3H7N Azetidine azet  
1219 C4H8 cyclobutane cbutane  
1220 C2H8N2 Ethylenediamine ethdiam  
1221 CH3NHNHCH3 dimethyl hydrazine dmh  
1222 CH3CH(NH2)CH3 2-Propanamine pram2  
1223 N(CH3)3 Trimethylamine trimeam  
1224 NH2CH2CH2CH3 1-Propanamine pram1  
1225 P(CH3)3 trimethylphosphine tmp  
1226 N(SiH3)3 trisilylamine tsa  
1227 As(CH3)3 trimethyl arsine tmas  
1228 (CH3)3NH+ protonated trimethyl amine ptma  
1229 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1230 Li2O2 dilithium dioxide li2o2  
1231 Na2O2 disodium dioxide na2o2  
1232 K2O2 dipotassium dioxide k2o2  
1233 C3O Tricarbon monoxide c3o  
1234 B2O2 Diboron dioxide b2o2  
1235 ONNO NO dimer onno  
1236 CO3 Carbon trioxide co3  
1237 CO3-- carbonate co3--  
1238 CS3-- Carbonotrithioate cs3--  
1239 NO3 Nitrogen trioxide no3  
1240 NO3- nitrate anion no3-  
1241 NO3+ nitrogen trioxide cation no3+  
1242 SO3 Sulfur trioxide so3  
1243 SO3- Sulfur trioxide anion so3-  
1244 SO3-- Sulfate dianion so3--  
1245 SO3+ Sulfur trioxide cation so3+  
1246 SeO3 selenium trioxide seo3  
1247 S4 Sulfur tetramer s4  
1248 TeO3 Tellurium trioxide teo3  
1249 HCO3- bicarbonate anion hco3-  
1250 HNO3 Nitric acid hno3  
1251 HSO3 Hydroxysulfonyl radical hso3  
1252 NH2NO2 nitramide nh2no2  
1253 C2H2CO cyclopropenone c2h2co  
1254 C3H2O Propadienal c3h2o  
1255 HCCCHO 2-propynal hcccho  
1256 C2H2O2 Ethanedial c2h2o2  
1257 C2H2O2+ Ethanedial cation c2h2o2+  
1258 H2CO3 Carbonic acid h2co3  
1259 H2CS3 thiocarbonic acid h2cs3  
1260 H2NO3+ Nitric Acid, Protonated h2no3+  
1261 H2SO3 Sulfurous acid h2so3  
1262 C2H3NO Nitrosoethylene c2h3no  
1263 CH3NCO methylisocyante ch3nco  
1264 HOCH2CN cyanomethanol hoch2cn  
1265 CH3COO- acetate anion ch3coo-  
1266 CH3NO2 Methane, nitro- ch3no2  
1267 CH3ONO Methyl nitrite ch3ono  
1268 NH2COOH Carbamic acid nh2cooh  
1269 H3BO3 Boric acid h3bo3  
1270 H3AlO3 Aluminum hydroxide h3alo3  
1271 H3CO3+ carbonic acid, protonated h3co3+  
1272 C3H4O 2-Propyn-1-ol c107197  
1273 C3H4O allenol c9000071  
1274 C3H4O Cyclopropanone cpone  
1275 C3H4O Methylketene c6004440  
1276 CH2CHCHO Acrolein c3h4o  
1277 NH2CONH2 Urea urea  
1278 NH2CONH2+ Urea cation urea+  
1279 NH2CSNH2 Thiourea thiourea  
1280 C2H4O2 1,3-dioxetane c2h4o2  
1281 CH3COOH Acetic acid ch3cooh  
1282 CH3OCHO methyl formate ch3ocho  
1283 CHOCH2OH hydroxy acetaldehyde haa  
1284 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1285 NH3COOH+ protonated Carbamic acid nh3cooh+  
1286 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1287 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1288 HCOOHH2O Formic acid water dimer hcoohh2o  
1289 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1290 CH3COCH2 Acetonyl radical ch3coch2  
1291 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1292 CH3C(OH)=NH Ethaninidic acid eia  
1293 CH3CHNOH Acetaldoxime acetaldoxime  
1294 CH3CONH2 Acetamide acetamide  
1295 HCONHCH3 N-methylformamide nmfa  
1296 CH3CSNH2 Ethanethioamide ch3csnh2  
1297 CH5N2O+ urea, N-protonated ch4n2o+  
1298 H2NCOHNH2+ urea, protonated ureah+  
1299 C2H5OO ethylperoxy radical c2h5oo  
1300 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1301 C3H5OH Cyclopropanol cproh  
1302 C3H6O 2-Propen-1-ol c107186  
1303 C3H6O Acetone enol enol  
1304 C3H6O Oxetane oxetane  
1305 C3H6O Propylene oxide prox  
1306 CH3CH2CHO Propanal propanal  
1307 CH3COCH3 Acetone acetone  
1308 CH3COCH3- acetone anion ch3coch3-  
1309 C3H6S Thietane thietane  
1310 C3H6S Thiirane, methyl- methiirane  
1311 CH3CSCH3 Thioacetone ch3csch3  
1312 C2H6O2 1,2-Ethanediol ethdiol  
1313 CH3OOCH3 dimethylperoxide dmp  
1314 CH3SOCH3 Dimethyl sulfoxide dmso  
1315 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1316 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1317 CH3COHCH3+ acetone, protonated acetoneh+  
1318 HOCH2CH2NH2 monoethanolamine mea  
1319 C3H7OH 1-Propanol proh  
1320 CH3CHOHCH3 Isopropyl alcohol isoproh  
1321 CH3OC2H5 Ethane, methoxy- etome  
1322 C3H7SH 1-Propanethiol prsh  
1323 CH3CHSHCH3 2-Propanethiol isoprsh  
1324 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1325 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1326 Li2F2 Lithium fluoride dimer li2f2  
1327 Na2F2 Sodium Fluoride Dimer na2f2  
1328 Na2Cl2 Disodium dichloride na2cl2  
1329 C2F2 difluoroacetylene c2f2  
1330 C2Cl2 dichloroacetylene c2cl2  
1331 C2Cl2+ dichloroacetylene cation c2cl2+  
1332 FNO2 Nitryl fluoride fno2  
1333 FONO Nitrosyl hypofluorite fono  
1334 ClNO2 Nitryl chloride clno2  
1335 ClONO chlorine nitrite clono  
1336 BrONO Bromine nitrite brono  
1337 N2F2 (Z)-Difluorodiazene n2f2_z  
1338 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1339 CF2O Carbonic difluoride f2co  
1340 CF2O+ Carbonic difluoride cation f2co+  
1341 COFCl Carbonic chloride fluoride cofcl  
1342 CCl2O Phosgene cl2co  
1343 Cl2CS Thiophosgene cl2cs  
1344 COBr2 Carbonic dibromide cobr2  
1345 BF3 Borane, trifluoro- bf3  
1346 BF3- Borane, trifluoro- anion bf3-  
1347 BF3+ boron trifluoride cation bf3+  
1348 AlF3 Aluminum trifluoride alf3  
1349 BClF2 Chlorodifluoroborane bclf2  
1350 AlF2Cl Aluminum chloride difluoride alclf2  
1351 ScF3 Scandium trifluoride ScF3  
1352 AlFCl2 Aluminum dichloride fluoride alcl2f  
1353 BCl3 Borane, trichloro- bcl3  
1354 BCl3+ Boron Trichloride cation bcl3+  
1355 GaF3 Gallium trifluoride gaf3  
1356 AlCl3 Aluminum trichloride alcl3  
1357 GaCl3 Gallium trichloride gacl3  
1358 BBr3 Boron tribromide bbr3  
1359 AlBr3 Aluminum Bromide albr3  
1360 ClO3 Chlorine trioxide clo3  
1361 ClO3- chlorate anion clo3-  
1362 BrO3- Bromate anion bro3-  
1363 CF3 Trifluoromethyl radical cf3  
1364 CF3- Trifluoromethyl anion cf3-  
1365 CF3+ Trifluoromethyl cation cf3+  
1366 CF2Cl difluorochloromethyl radical cf2cl  
1367 SiF3 Silicon trifluoride radical sif3  
1368 SiF3+ Silicon trifluoride cation sif3+  
1369 CFCl2 dichlorofluoromethyl radical cfcl2  
1370 CCl3 Trichloromethyl radical ccl3  
1371 CCl3- Trichloromethyl anion ccl3-  
1372 CCl3+ Trichloromethyl cation ccl3+  
1373 SiCl3 trichlorosilyl radical sicl3  
1374 SiCl3+ trichlorosilyl cation sicl3+  
1375 CBr3 tribromomethyl radical cbr3  
1376 FOOF Perfluoroperoxide foof  
1377 F2SO Thionyl Fluoride f2so  
1378 ClOOCl Dichlorine dioxide cloocl  
1379 FSSF Difluorodisulfane fssf  
1380 S2F2 Thio-thionyl fluoride s2f2  
1381 SOCl2 thionyl chloride socl2  
1382 SSCl2 Thiothionyl chloride sscl2  
1383 SeOCl2 selenium oxychloride seocl2  
1384 NF3 Nitrogen trifluoride nf3  
1385 NF3- Nitrogen trifluoride anion nf3-  
1386 NF3+ Nitrogen trifluoride cation nf3+  
1387 PF3 Phosphorus trifluoride pf3  
1388 NCl3 nitrogen trichloride ncl3  
1389 AsF3 Arsenic trifluoride asf3  
1390 PCl3 Phosphorus trichloride pcl3  
1391 SbF3 Antimony Trifluoride sbf3  
1392 AsCl3 Arsenous trichloride ascl3  
1393 SbCl3 Antimony Trichloride sbcl3  
1394 NBr3 Nitrogen Tribromide nbr3  
1395 PBr3 Phosphorus tribromide pbr3  
1396 AsBr3 Arsenic tribromide asbr3  
1397 NI3 Nitrogen triiodide ni3  
1398 PI3 Phosphorus triiodide pi3  
1399 ClSSCl Disulfur dichloride s2cl2  
1400 SF3 Sulfur trifluoride sf3  
1401 ClF3 Chlorine trifluoride clf3  
1402 BrF3 Bromine trifluoride brf3  
1403 IF3 iodone trifluoride if3  
1404 HClO3 Chloric Acid hclo3  
1405 CHF3 Methane, trifluoro- chf3  
1406 CHF2Cl difluorochloromethane chf2cl  
1407 SiHF3 trifluorosilane sihf3  
1408 CHFCl2 fluorodichloromethane chfcl2  
1409 CDCl3 trichloromethane-d cdcl3  
1410 CHCl3 Chloroform chcl3  
1411 CHBrF2 Methane, bromodifluoro- chbrf2  
1412 SiHCl3 Trichlorosilane sihcl3  
1413 CHFClBr fluorochlorobromomethane chfclbr  
1414 CHBrCl2 Methane, bromodichloro- chbrcl2  
1415 CHF2I difluoroiodomethane chf2i  
1416 CHBr2F dibromofluoromethane chbr2f  
1417 CHFClI fluorochloroiodomethane chfcli  
1418 CHCl2I dichloroiodomethane chcl2i  
1419 CHClBr2 Methane, dibromochloro- chclbr2  
1420 CHBr3 bromoform chbr3  
1421 CHI3 Iodoform chi3  
1422 NF3H+ protonated nitrogen trifluoride nf3h+  
1423 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1424 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1425 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1426 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1427 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1428 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1429 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1430 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1431 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1432 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1433 C2H2Br2 1,1-dibromoethene c2h2br2  
1434 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1435 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1436 CH2FCHO Fluoroacetaldehyde ch2fcho  
1437 CH3COF Acetyl fluoride ch3cof  
1438 CH2ClCHO chloroacetaldehyde ch2clcho  
1439 CH3COCl Acetyl Chloride ch3cocl  
1440 C2H4F2 1,2-difluoroethane c2h4f2  
1441 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1442 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1443 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1444 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1445 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1446 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1447 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1448 CH2CFCH3 2-fluoropropene 2fpro  
1449 CH2CHCH2F Allyl Fluoride allylf  
1450 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1451 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1452 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1453 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1454 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1455 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1456 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1457 CH2FCH2CH3 1-Fluoropropane prf1  
1458 CH3CHFCH3 2-Fluoropropane prf2  
1459 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1460 CH3CHClCH3 Propane, 2-chloro- prcl2  
1461 CH3CH2CH2Br n-propyl bromide prbr  
1462 CH3CHBrCH3 i-propyl bromide iprbr  
1463 C3H9O+ trimethyl oxonium cation c3h9o+  
1464 B5H9 pentaborane9 b5h9  
1465 C5H4 pentatetraene ptrene  
1466 C5H5 cyclopentadienyl radical c5h5  
1467 C5H5- cylopentadienyl anion c5h5-  
1468 C5H6 1,3-Cyclopentadiene c542927  
1469 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1470 C5H6 3-Penten-1-yne, (E)- c2004695  
1471 C5H6 3-Penten-1-yne, (Z)- c1574409  
1472 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1473 C5H6 Cyclopropylacetylene c6746947  
1474 C5H6 Propellane propellane  
1475 C5H7 1,3-pentadienyl radical pdyl  
1476 C5H7 cyclopentenyl radical cpyl  
1477 C5H8 1,2-Butadiene, 3-methyl- c598254  
1478 C5H8 1,2-Pentadiene c591957  
1479 C5H8 1,3-Butadiene, 2-methyl- c78795  
1480 C5H8 1,3-Pentadiene, (E)- c2004708  
1481 C5H8 1,3-Pentadiene, (Z)- c1574410  
1482 C5H8 1,4-Pentadiene c591935  
1483 C5H8 1-pentyne a1pentyne  
1484 C5H8 2,3-Pentadiene c591968  
1485 C5H8 Bicyclo[1.1.1]pentane bcp  
1486 C5H8 Cyclobutane, methylene- c1120565  
1487 C5H8 Cyclopentene c142290  
1488 C5H8 Ethenylcyclopropane c693867  
1489 CH3CCCH2CH3 2-Pentyne 2pentyne  
1490 C5H10 1-Butene, 2-methyl- c563462  
1491 C5H10 2-Butene, 2-methyl- c513359  
1492 C5H10 2-Pentene, (E)- c646048  
1493 C5H10 2-Pentene, (Z)- c627203  
1494 C5H10 Cyclopentane c287923  
1495 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1496 CH2CHCH2CH2CH3 1-pentene pentene  
1497 C5H11 2-Methylbut-2-yl radical c4348350  
1498 C5H12 Butane, 2-methyl- buta2  
1499 C5H12 Pentane pentane  
1500 C5H12 Propane, 2,2-dimethyl- neopentane  
1501 Si(CH3)4 tetramethylsilane tms  
1502 N2O3 Dinitrogen trioxide n2o3  
1503 C3H2N2 Malononitrile c3h2n2  
1504 CH2N4 1H-Tetrazole 1htz  
1505 C3H3N2 imidazolyl radical im  
1506 C3H3N2- imidizolyl anion im-  
1507 C2H3N3 1H-1,2,4-Triazole c288880  
1508 C4H4N pyrrolide radical c4h4n  
1509 C4H4N- pyrrolide anion c4h4n-  
1510 C3H4N2 1H-Imidazole 1himidaz  
1511 C3H4N2 1H-Pyrazole 1hpyraz  
1512 C3H4N2 2H-Imidazole imid2h  
1513 C3H4N2 4H-Imidazole imid4h  
1514 C4H5N (E)-2-Butenenitrile c627269  
1515 C4H5N (Z)-2-Butenenitrile c1190767  
1516 C4H5N 2H-pyrrole pyrrole2  
1517 C4H5N 3H-pyrrole pyrrole3  
1518 C4H5N Cyclopropanecarbonitrile c5500210  
1519 C4H5N Pyrrole pyrrole  
1520 CH2CHCH2CN Allylcyanide ch2chch2cn  
1521 C4H6N+ pyrrole, alpha-protonated appyr  
1522 C4H6N+ pyrrole, beta-protonated bppyr  
1523 C4H6N+ pyrrole, protonated ppyr  
1524 C3H6N2 3-Aminopropionitrile c151188  
1525 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1526 CH3CH2CH2CN Butanenitrile c109740  
1527 C5H8 Bicyclo[2.1.0]pentane c185944  
1528 C5H8 Spiropentane c157404  
1529 C4H9N Cyclobutylamine cbam  
1530 C4H9N Pyrrolidine pyrrolidine  
1531 C3H10N2 1,2-Diaminopropane diampr12  
1532 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1533 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1534 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1535 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1536 NH(C2H5)2 diethylamine dea  
1537 NC4H12+ tetramethyl ammonium cation nc4h12+  
1538 C3O2 Carbon suboxide c3o2  
1539 C3O2+ Carbon suboxide cation c3o2+  
1540 B2O3 diboron trioxide b2o3  
1541 MgCO3 Magnesium Carbonate mgco3  
1542 BeCO3 Beryllium Carbonate beco3  
1543 CaCO3 Calcium Carbonate caco3  
1544 ONONO Nitrosyl nitrite onono  
1545 PO4--- phosphate po4---  
1546 SO4-- sulfate so4--  
1547 HOONO2 peroxy nitric acid hoono2  
1548 HSO4- bisulfate anion hso4-  
1549 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1550 C3H2O2 Propiolic acid c3h2o2  
1551 CHOCOOH oxo acetic acid oaa  
1552 CHOOCHO diformyl ether choocho  
1553 H2SO4 Sulfuric acid h2so4  
1554 H2SeO4 Selenic acid h2seo4  
1555 C3H3NO Isoxazole isox  
1556 C3H3NO Oxazole oxazole  
1557 C3H3NS Thiazole thiazole  
1558 CH3C(O)OO acetyl peroxy radical ch3coo2  
1559 CH3NO3 Methyl nitrate ch3no3  
1560 H3PO4 Phosphoric Acid h3po4  
1561 C4H4O Furan furan  
1562 C4H4O+ Furan cation furan+  
1563 CH3COCCH 3-butyn-2-one c1423605  
1564 C4H4S Thiophene furans  
1565 C4H4Se selenophene c4h4se  
1566 C3H4O2 β–Propiolactone beta  
1567 C3H4O2 2-Propenoic acid propenoic2  
1568 C3H4O2 Methyl glyoxal megly  
1569 C3H4O2 propanedial propanedial  
1570 C3H4O2 propenalol propenalol  
1571 HOCHCCHOH allenediol aldiol  
1572 C2H4O3 1,2,3-trioxolane c2h4o3  
1573 C2H4O3 trioxolane124 triox  
1574 HOCH2COOH Hydroxyacetic acid hac  
1575 CH2CHCONH2 Acrylamide c79061  
1576 CH3OCH2CN Methoxyacetonitrile c1738369  
1577 CH5N3S Hydrazinecarbothioamide c79196  
1578 H2NCH2COOH Glycine glycine  
1579 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1580 C4H6O cis-2-butenal butenal2c  
1581 C4H6O Cyclobutanone cbutone  
1582 C4H6O Furan, 2,3-dihydro- furan23h  
1583 C4H6O Furan, 2,5-dihydro- furan25h  
1584 CH2CHOCHCH2 Vinyl ether vinylether  
1585 CHOCHCHCH3 2-Butenal butenal2  
1586 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1587 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1588 CH2CHSCHCH2 Divinyl sulfide divis  
1589 C2H6N2O Urea, methyl- c598505  
1590 C3H6O2 1,3-Dioxolane dioxolane  
1591 CH3CH2COOH Propanoic Acid propanoic  
1592 CH3COOCH3 methyl acetate aame  
1593 HCOOC2H5 Ethyl formate faee  
1594 C2H6O2S Dimethyl sulfone c67710  
1595 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1596 C3H7NO dimethylformamide dmf  
1597 C3H7NO Propanamide propanam  
1598 C2H3OC2H5 Ethene, ethoxy- c109922  
1599 C4H8O Cyclobutanol c2919235  
1600 C4H8O Furan, tetrahydro- thf  
1601 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1602 CH3COCH2CH3 2-Butanone buta2one  
1603 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1604 CHOCH2CH2CH3 Butanal butanal  
1605 C4H8S Thiophene, tetrahydro- tht  
1606 C3H8O2 1,3-Propanediol c504632  
1607 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1608 C3H8O2 Methane, dimethoxy- c109875  
1609 C3H8O2 Propylene glycol c57556  
1610 C3H8S2 1,3-Propanedithiol c109808  
1611 C4H10O 1-Butanol butanol1  
1612 C4H10O 1-Propanol, 2-methyl- c78831  
1613 C4H10O 2-Butanol, (.+/-.)- butanol2  
1614 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1615 C4H10O Ethoxy ethane etoet  
1616 C4H10O Methyl propyl ether meopr  
1617 C4H10O Propane, 2-methoxy- c598538  
1618 C4H10O+ 1-Butanol cation butanol1+  
1619 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1620 C2H5SC2H5 Diethyl sulfide etset  
1621 C4H9SH 1-Butanethiol bush  
1622 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1623 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1624 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1625 FNO3 Fluorine nitrate fno3  
1626 ClONO2 Chlorine nitrate clono2  
1627 BrONO2 Bromine nitrate brono2  
1628 TiCl4 Titanium tetrachloride ticl4  
1629 ClO4- perchlorate anion clo4-  
1630 BF4- tetrafluoroboron anion bf4-  
1631 ClFO3 Perchloryl fluoride clfo3  
1632 SO2F2 Sulfuryl fluoride so2f2  
1633 SO2Cl2 Sulfuryl chloride so2cl2  
1634 F3NO Nitrogen trifluoride oxide f3no  
1635 F3PO Phosphoryl fluoride pf3o  
1636 Cl3PO Phosphoryl chloride pcl3o  
1637 CF4 Carbon tetrafluoride cf4  
1638 CF3Cl Methane, chlorotrifluoro- cf3cl  
1639 SiF4 Silicon tetrafluoride sif4  
1640 CF2Cl2 difluorodichloromethane cf2cl2  
1641 TiF4 Titanium tetrafluoride tif4  
1642 CFCl3 Trichloromonofluoromethane cfcl3  
1643 CF3Br Bromotrifluoromethane cf3br  
1644 GeF4 Germanium tetrafluoride gef4  
1645 CCl4 Carbon tetrachloride ccl4  
1646 CCl4+ Carbon tetrachloride cation ccl4+  
1647 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1648 SiCl4 Silane, tetrachloro- sicl4  
1649 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1650 CF3I trifluoroiodomethane cf3i  
1651 CBrCl3 Methane, bromotrichloro- cbrcl3  
1652 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1653 GeCl4 Germanium Tetrachloride gecl4  
1654 CBr2ClF dibromochlorofluoromethane cbr2clf  
1655 CBr2Cl2 dibromodichloromethane cbr2cl2  
1656 CCl3I trichloroiodomethane ccl3i  
1657 CFBr3 fluorotribromomethane cfbr3  
1658 CFClBrI fluorochlorobromoiodomethane cfclbri  
1659 CBr3Cl tribromochloromethane cbr3cl  
1660 CF2I2 difluorodiiodomethane cf2i2  
1661 CBr4 Carbon tetrabromide cbr4  
1662 CCl2I2 dichlorodiiodomethane ccl2i2  
1663 SiBr4 Silicon tetrabromide sibr4  
1664 CBr3I tribromoiododmethane cbr3i  
1665 GeBr4 Germanium tetrabromide gebr4  
1666 CI4 tetraiodomethane ci4  
1667 SiI4 silicon tetraiodide sii4  
1668 ClOF3 Chlorine trifluoride oxide clof3  
1669 SF4 Sulfur tetrafluoride sf4  
1670 SeF4 Selenium tetrafluoride sef4  
1671 SCl4 Sulfur tetrachloride scl4  
1672 C2HF3 Trifluoroethylene c2hf3  
1673 C2HF3+ Trifluoroethylene cation c2hf3+  
1674 CHClCCl2 Trichloroethylene chclccl2  
1675 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1676 HClO4 perchloric acid hclo4  
1677 HSO3F Fluorosulfonic acid hso3f  
1678 CF3OH trifluoromethanol cf3oh  
1679 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1680 CHClCCHCl 1,3-dichloroallene chclcchcl  
1681 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1682 CHCl2CHO dichloroacetaldehyde chcl2cho  
1683 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1684 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1685 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1686 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1687 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1688 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1689 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1690 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1691 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1692 NH3BCl3 Amminetrichloroboron nh3bcl3  
1693 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1694 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1695 C3H5ClO Oxirane, (chloromethyl)- c106898  
1696 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1697 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1698 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1699 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1700 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1701 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1702 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1703 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1704 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1705 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1706 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1707 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1708 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1709 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1710 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1711 C4H9F 1-fluorobutane butaf1  
1712 CH3CHFCH2CH3 2-fluorobutane butaf2  
1713 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1714 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1715 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1716 XeF4 Xenon tetrafluoride xef4  
1717 C2H2N2O Furazan furazan  
1718 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1719 NH3BF3 Amminetrifluoroboron nh3bf3  
1720 C6H2 hexatriyne c6h2  
1721 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1722 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1723 C6H4 Benzyne benzyne  
1724 C6H5 phenyl phenyl  
1725 C6H5- phenyl anion phenyl-  
1726 C6H6 Prismane prismane  
1727 C6H6 1,2,4,5-Hexatetraene ht1245  
1728 C6H6 2,4-Hexadiyne hexadiyne  
1729 C6H6 3,4-Dimethylenecyclobutene cb34m  
1730 C6H6 Benzene benzene  
1731 C6H6 Benzvalene bv  
1732 C6H6 Dewar Benzene dewar  
1733 C6H6 Hexa-1,5-diene-3-yne hdy153  
1734 C6H6 Trimethylenecycopropane tmcp  
1735 C6H6+ Benzene cation c6h6+  
1736 C6H7+ benzene, protonated c6h7+  
1737 C6H8 (E)-hexa-1,3,5-triene c821078  
1738 C6H8 (E)-hexa-2,3,4-triene c59660650  
1739 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1740 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1741 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1742 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1743 C6H8 3-Methylenecyclopentene c930267  
1744 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1745 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1746 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1747 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1748 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1749 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1750 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1751 C6H10 1,5-Hexadiene c592427  
1752 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1753 C6H10 1-Hexyne hexyne1  
1754 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1755 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1756 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1757 C6H10 2-Hexyne c764352  
1758 C6H10 3-Hexyne hexyne3  
1759 C6H10 cyclohexene cyclohexene  
1760 C6H10 Cyclopentene, 1-methyl- c693890  
1761 C6H10 Cyclopentene, 3-methyl- c1120623  
1762 C6H10 Cyclopentene, 4-methyl- c1759815  
1763 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1764 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1765 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1766 C6H12 (E)-2-Hexene e2hexene  
1767 C6H12 (E)-3-methylpent-2-ene c616126  
1768 C6H12 (E)-hex-3-ene e3hexene  
1769 C6H12 (Z)-3-methylpent-2-ene c922623  
1770 C6H12 (Z)-hex-2-ene z2hexene  
1771 C6H12 (Z)-hex-3-ene z3hexene  
1772 C6H12 2,3-dimethylbut-1-ene c563780  
1773 C6H12 2,3-dimethyl-but-2-ene tmeet  
1774 C6H12 3-methylenepentane c760214  
1775 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1776 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1777 C6H12 Cyclohexane cyclohexane  
1778 C6H12 Cyclopentane, methyl- c96377  
1779 C6H12 Ethylcyclobutane c4806615  
1780 C6H12 hex-1-ene hexene1  
1781 C6H14 Butane, 2,2-dimethyl- buta22  
1782 C6H14 Butane, 2,3-dimethyl- buta23  
1783 C6H14 Hexane hexane  
1784 C6H14 Pentane, 2-methyl- penta2  
1785 C6H14 Pentane, 3-methyl- penta3  
1786 C4N2 2-Butynedinitrile c4n2  
1787 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1788 C4H2N2 Fumaronitrile c4h2n2  
1789 C2H2N4 sym-tetrazine ttz  
1790 C3H3N3 1,3,5-Triazine triazine135  
1791 CH3N5 5-Aminotetrazole c4418615  
1792 C4H4N2 1,3-Diazine diazine13  
1793 C4H4N2 Pyrazine pyrazine  
1794 C4H4N2 Pyridazine pyridazine  
1795 C4H4N2 Succinonitrile c110612  
1796 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1797 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1798 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1799 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1800 C5H5N E-2,4-pentadienenitrile bdcn  
1801 C5H5N Pyridine pyridine  
1802 B3N3H6 borazine borazine  
1803 C6H6 Fulvene fulvene  
1804 C5H6N+ Pyridinium c5h6n  
1805 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1806 C5H7N (E)-2-Pentenenitrile c26294984  
1807 C5H7N (E)-3-Pentenenitrile c16529661  
1808 C5H7N (Z)-2-Pentenenitrile c25899507  
1809 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1810 C5H7N Cyclobutanecarbonitrile c4426113  
1811 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1812 C5H9N Butanenitrile, 2-methyl- c18936179  
1813 C5H9N Pentanenitrile c110598  
1814 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1815 C6H10 Bicyclo[3.1.0]hexane c285585  
1816 C5H11N Cyclopentanamine cypentam  
1817 C5H11N Piperidine piper  
1818 C4H12N2 1,2-Butanediamine c4426486  
1819 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1820 Li2CO3 Lithium Carbonate li2co3  
1821 Na2CO3 Sodium Carbonate na2co3  
1822 C2O4-- oxalate anion c2o4  
1823 MgSO4 Magnesium Sulfate mgso4  
1824 N2O4 Dinitrogen tetroxide n2o4  
1825 C3H2O3 vinylene carbonate vica  
1826 C2H2O4 Oxalic Acid oxalic  
1827 C2H3NO3 Oxamic acid oxamic  
1828 C4H4O2 2(5H)-Furanone furanone  
1829 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1830 C2H4N2O2 Oxalamide oxalamide  
1831 C2H4N2S2 Ethanedithioamide c79403  
1832 C2H4CO3 Ethylene carbonate etco3  
1833 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1834 C3H4S3 1,3-Dithiolane-2-thione c822388  
1835 C2H4O4 Formic acid dimer fadimer  
1836 C4H5NO 3-Methylisoxazole isox3m  
1837 C4H5NO Isoxazole, 5-methyl- c5765446  
1838 C4H5NS 4-Methylthiazole c693958  
1839 C2H5NO3 Nitric acid, ethyl ester c625581  
1840 C5H6O 2H-Pyran pyran2  
1841 C5H6O 2-methylfuran furan2m  
1842 C5H6O 3-Methylfuran furan3m  
1843 C5H6O Pentadienal pdal  
1844 C5H6S Thiophene, 2-methyl- c554143  
1845 C5H6S Thiophene, 3-methyl- c616444  
1846 C4H6O2 γ–Butyrolactone c96480  
1847 C4H6O2 2,3-Butanedione c431038  
1848 C4H6O2 2-Propenoic acid, methyl ester c96333  
1849 C4H6O2 Crotonic Acid crot  
1850 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1851 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1852 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1853 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1854 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1855 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1856 C4H6OS Vinyl sulfoxide c1115157  
1857 CH6N4S Carbonothioic dihydrazide thiacarb  
1858 C2H6N2O2 (E)-Azodioxymethane c37765154  
1859 C2H6N2O2 Dimethylnitroamine c4164287  
1860 C3H6O3 1,3,5-Trioxane trioxane  
1861 C3H6S3 1,3,5-Trithiane c3h6s3  
1862 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1863 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1864 C4H7NO 2-Pyrrolidinone c616455  
1865 C4H7NO Ethoxyacetonitrile etoaccn  
1866 C4H7NO Methacrylamide c79390  
1867 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1868 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1869 C3H7ONO Propyl nitrite prono  
1870 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1871 CH3CH(NH2)COOH Alanine alanine  
1872 CH3NHCH2COOH Sarcosine sarcosine  
1873 NH2CH2CH2COOH β–alanine betaalanine  
1874 NH2COOC2H5 Urethane urethane  
1875 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1876 C5H8O Cyclopentanone c120923  
1877 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1878 C5H8O Methyl cyclopropyl ketone c765435  
1879 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1880 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1881 NH2CONHC2H5 Urea, ethyl- c625525  
1882 C4H8O2 1,3-Dioxane dioxan13  
1883 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1884 C4H8O2 1,4-Dioxane dioxan14  
1885 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1886 C4H8O2 Ethyl acetate c141786  
1887 C4H8OS s-Ethyl thioacetate c625605  
1888 C3H8O3 1,2,3-Propanetriol glycerin  
1889 C3H8O2S (Methylsulfonyl)ethane c594434  
1890 C4H9NO Butanamide c541355  
1891 C4H9NO Propanamide, 2-methyl- c563837  
1892 C5H10O 2-Butanone, 3-methyl- c563804  
1893 C5H10O 2H-Pyran, tetrahydro- c142687  
1894 C5H10O 2-methylbutyraldehyde 2meba  
1895 C5H10O 2-Pentanone mpk  
1896 C5H10O 3-Pentanone dek  
1897 C5H10O Cyclopentanol c96413  
1898 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1899 C5H10O Pentanal pal  
1900 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1901 C5H10S 3-Ethylthio-1-propene c5296628  
1902 C5H10S Cyclopentanethiol c1679078  
1903 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1904 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1905 C4H10O2 1,1-Dimethoxyethane c534156  
1906 C4H10O2 1,3-Butanediol budiol13  
1907 C4H10O2 1,4-Butanediol budiol14  
1908 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1909 C4H10OS Diethyl sulfoxide c70291  
1910 C4H10S2 1,4-Butanedithiol budisl14  
1911 C4H11NO Diethylhydroxylamine c3710847  
1912 C5H12O 1-Butanol, 2-methyl- c137326  
1913 C5H12O 1-Butanol, 3-methyl- c123513  
1914 C5H12O 1-Pentanol pentanol1  
1915 C5H12O 2-Butanol, 3-methyl- c598754  
1916 C5H12O 2-Pentanol peol2  
1917 C5H12O 3-Pentanol pentan3ol  
1918 C5H12O Butane, 1-methoxy- meobu  
1919 C5H12O Propane, 1-ethoxy- proet  
1920 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1921 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1922 C5H12S 1-Butanethiol, 3-methyl- c541311  
1923 C5H12S 1-Pentanethiol c110667  
1924 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1925 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1926 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1927 C5H12S Butane, 1-(methylthio)- c628295  
1928 C5H12S Ethyl propyl sulfide c4110503  
1929 C5H12S Propane, 2-(ethylthio)- c5145993  
1930 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1931 C4F2 difluorobutadiyne c4f2  
1932 ClCOClCO Oxalyl chloride oxcl  
1933 CF3CN Acetonitrile, trifluoro- cf3cn  
1934 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1935 B2F4 Diboron tetrafluoride b2f4  
1936 B2Cl4 Diboron tetrachloride b2cl4  
1937 C2F4 Tetrafluoroethylene c2f4  
1938 C2F4+ Tetrafluoroethylene cation c2f4+  
1939 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1940 CF2CCl2 difluorodichloroethylene cf2ccl2  
1941 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1942 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1943 C2FCl3 fluorotrichloroethene c2fcl3  
1944 C2Cl4 Tetrachloroethylene c2cl4  
1945 C2Br4 tetrabromoethene c2br4  
1946 CF3OF Trifluoromethylhypofluorite cf3of  
1947 SOF4 Sulfur tetrafluoride oxide sof4  
1948 PF5 Phosphorus pentafluoride pf5  
1949 AsF5 Arsenic pentafluoride asf5  
1950 PCl5 Phosphorus pentachloride pcl5  
1951 SF5 Sulfur pentafluoride sf5  
1952 SF5+ pentafluoro sulfur cation sf5+  
1953 SbCl5 Antimony pentachloride sbcl5  
1954 BrF5 bromine pentafluoride brf5  
1955 ClF5 chlorinepentafluoride clf5  
1956 IF5 pentafluoroiodine if5  
1957 CF3CHO trifluoroacetaldehyde cf3cho  
1958 CCl3CHO trichloroacetaldehyde ccl3cho  
1959 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1960 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1961 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1962 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1963 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1964 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1965 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1966 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1967 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1968 CF3COOH trifluoroacetic acid cf3cooh  
1969 C4H3ClO Furan, 2-chloro fur2cl  
1970 C4H3ClO Furan,3-chloro fur3cl  
1971 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1972 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1973 C4H8Cl2 1,4-Dichlorobutane c110565  
1974 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1975 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1976 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1977 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1978 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1979 C5H11Cl Pentane, 1-chloro- pencl1  
1980 C4H8O2 Butanoic acid bua  
1981 C6H5CH2 benzyl radical benzyl  
1982 C7H7 cycloheptatrienyl radical c7h7  
1983 C7H7+ cycloheptatrienyl cation c7h7+  
1984 C6H5CH3 toluene toluene  
1985 C7H8 cycloheptatriene cht  
1986 C7H8 Norbornadiene norbor  
1987 C7H8 Quadricyclane qucy  
1988 C7H12 Norbornane nor  
1989 C7H14 cycloheptane c7h14  
1990 C7H16 2-methylhexane 2mhex  
1991 C7H16 3-methylhexane hex3m  
1992 C7H16 heptane heptane  
1993 CH(CN)3 tricyanomethane mecn3  
1994 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1995 C6H7N 2-Methylpyridine mp  
1996 C6H5NH2 aniline aniline  
1997 C6H13N 2-Methylpiperidine pip2m  
1998 C6H13N cyclohexanamine cham  
1999 C6H15N triethylamine tea  
2000 N2O5 Dinitrogen pentoxide n2o5  
2001 C4H2O3 Maleic Anhydride malan  
2002 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2003 C5H4O2 furfural furfural  
2004 C6H5O phenoxy radical phenoxy  
2005 C5H5NO 2(1H)-Pyridinone c72762006  
2006 C5H5NO 2(3H)-Pyridinone c9000048  
2007 C5H5NO 2(5H)-Pyridinone c9000037  
2008 C5H5NO 2-Pyridinol c109104  
2009 C5H5NO 3(2H)-Pyridinone c9000004  
2010 C5H5NO 3(4H)-Pyridinone c9000026  
2011 C5H5NO 3(6H)-Pyridinone c9000015  
2012 C5H5NO 3-Pyridinol c109002  
2013 C5H5NO 4(1H)-Pryidinone c9000060  
2014 C5H5NO 4(3H)-Pryidinone c9000059  
2015 C5H5NO 4-Pyridinol c626642  
2016 C6H5OH phenol phenol  
2017 C6H6O 2,4-Cyclohexadienone c24599573  
2018 C6H6O 2,5-Cyclohexadienone c5664335  
2019 C6H5SH Benzenethiol phsh  
2020 HO2CCHNH2CH2OH Serine serine  
2021 C5H8O2 Acetylacetone acac  
2022 C4H8O2S Sulfolane sulfolane  
2023 C7H10 Norbornene norbornene  
2024 CH(C2H3)3 trivinyl methane tvm  
2025 C6H10O cyclohexanone chexo  
2026 C6H12O hexanal c6h12o  
2027 C6H12O Oxepane oxepane  
2028 C3H7OC3H7 di-n-propyl ether propr  
2029 F2CCCF2 tetrafluoroallene pfa  
2030 CF3COO- trifluoro acetate anion cf3coo-  
2031 CF3COF trifluoroacetyl fluoride cf3cof  
2032 CF3COCl trifluoroacetyl chloride cf3cocl  
2033 PF6 Hexafluorophosphate neutral pf6  
2034 PF6- Hexafluorophosphate ion pf6-  
2035 SF6 Sulfur Hexafluoride sf6  
2036 SeF6 Selenium hexafluoride sef6  
2037 SF5Cl sulfur chloropentafluoride sf5cl  
2038 CF3CHF2 pentafluoroethane cf3chf2  
2039 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2040 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2041 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2042 CCl3CHCl2 pentachloroethane ccl3chcl2  
2043 C6H5F Fluorobenzene bzf  
2044 C6H5Cl chlorobenzene bzcl  
2045 C6H5Br bromobenzene bzbr  
2046 C8H6 Calicene calicene  
2047 C6H5CCH phenylacetylene phac  
2048 C8H6 benzocyclobutadiene bcbd  
2049 C8H6 Pentalene pentalene  
2050 C6H5CHCH2 Styrene styrene  
2051 C8H8 cubane cubane  
2052 C8H8 cyclooctatetraene cot  
2053 C6H5CH2CH3 Ethylbenzene etbz  
2054 CH3C6H4CH3 meta-xylene mxylene  
2055 CH3C6H4CH3 paraxylene pxylene  
2056 C8H14 Bicyclo[2.2.2]octane bico222  
2057 C8H16 cyclooctane cyclooct  
2058 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2059 C8H18 Octane c8h18  
2060 C6H5CN phenyl cyanide phcn  
2061 C6H12N2 Triethylenediamine ted  
2062 C4O4-- squarate dianion c4o4--  
2063 S4N4 Tetrasulfur tetranitride s4n4  
2064 S8 Octasulfur s8  
2065 C6H4O2 parabenzoquinone pbq  
2066 C4H4N2O2 Uracil uracil  
2067 C6H5CHO benzaldehyde benzal  
2068 C6H5OCH3 Anisole anisole  
2069 C5H9NO2 Proline proline  
2070 C6H12O2 Methyl pivalate c598981  
2071 C6H12O2 Hexanoic acid hexa  
2072 C4F4 tetrafluorcyclobutadiene c4f4  
2073 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2074 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2075 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2076 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2077 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2078 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2079 C2F6 hexafluoroethane c2f6  
2080 C2Cl6 hexachloroethane c2cl6  
2081 IF7 Iodine heptafluoride if7  
2082 C6H4F2 metadifluorobenzene mdfb  
2083 C6H4F2 orthodifluorobenzene odfb  
2084 C6H4F2 1,4-difluorobenzene pdfb  
2085 C6H4Cl2 1,2-dichlorobenzene dcb12  
2086 C6H4Cl2 1,3-dichlorobenzene dcb13  
2087 C6H4Cl2 1,4-dichlorobenzene dcb14  
2088 C6H5NO nitrosobenzene bzno  
2089 C9H8 Indene indene  
2090 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2091 C9H12 n-propyl benzene prbz  
2092 C9H20 Nonane nonane  
2093 C(CN)4 tetracyanomethane c5n4  
2094 C5H4N4 purine purine  
2095 C8H7N Indole indole  
2096 C3H3N3O3 cyanuric acid cyanuric  
2097 C6H5NO2 Nitrobenzene c6h5no2  
2098 C6H5COOH benzoic acid benzo  
2099 CH3COC6H5 acetophenone acph  
2100 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2101 C3F6 hexafluoropropene c3f6  
2102 C6H3F3 Benzene trifluoride 123 bzf3a  
2103 C8H18O 1-Octanol octanol  
2104 C10H8 Azulene azu  
2105 C10H8 naphthalene naph  
2106 C10H10 bullvalene bullv  
2107 C10H16 adamantane adamantane  
2108 C6N4 Tetracyanoethylene tcne  
2109 C6N4- tetracyanoethylene anion tcne-  
2110 C10H22 Decane decane  
2111 C4F6 perfluorobutadiene c4f6  
2112 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2113 C3F8 perfluoropropane c3f8  
2114 Fe(CO)5 Iron pentacarbonyl ipc  
2115 Fe(C5H5)2 ferrocene fecp2  
2116 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2117 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2118 C12H8 Acenaphthylene acenaph  
2119 C12H8 biphenylene biph  
2120 C12H10 biphenyl biphenyl  
2121 C12H10 Heptalene heptalene  
2122 C6H12O6 Inositol inositol  
2123 C6F6 hexafluorobenzene c6f6  
2124 S2F10 disulphur decafluoride s2f10  
2125 C13H10 Fluorene fluorene  
2126 C14H10 Anthracene anth  
2127 C14H10 Phenanthrene phenanthrene  
2128 C14H14 Bibenzyl bibenzyl  
2129 C12H10N2 azobenzene azobenzene  
2130 C6H5COC6H5 benzophenone benzophenone  
2131 C16H10 Pyrene pyrene  
2132 C18H12 Tetracene tetracene  
2133 C19H16 Triphenylmethane tpm  
2134 C24H12 Coronene coronene  
2135 C60 Buckminsterfullerene c60