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

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

List of which calculations are completed at CCSD /cc-pV(D+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 SiH4 Silane 1A1Td
2 PH phosphorus monohydride 1Σ+C∞v
3 HS Mercapto radical 2ΠC∞v
4 H2S Hydrogen sulfide 1A1C2v
5 H2S+ Hydrogen sulfide cation 2B1C2v
6 H3S+ Sulfonium cation 1A1C3v
7 HCl Hydrogen chloride 1ΣC∞v
8 H2Cl+ dihydrogen monochloride cation 1A1C2v
9 Si2H6 disilane 1EuD3d
10 AlN Aluminum nitride 3ΠiC∞v
11 P2 Phosphorus diatomic 1ΣgD∞h
12 CaS Calcium sulfide 1ΣC∞v
13 NS Mononitrogen monosulfide 2ΠC∞v
14 PO Phosphorus monoxide 2ΠC∞v
15 SO Sulfur monoxide 3ΣC∞v
16 S2+ sulfur diatomic cation 2ΠD∞h
17 CH3SH Methanethiol 1A'Cs
18 CH3SH2+ protonated methylsulfide 1A'Cs
19 NCl nitrogen monochloride 3ΣC∞v
20 ClO Monochlorine monoxide 2ΠC∞v
21 ClF Chlorine monofluoride 1Σ+C∞v
22 CH3Cl Methyl chloride 1A1C3v
23 Si3H8 trisilane   
24 SNO Nitrogen oxide sulfide   
25 HSSSH trisulfane 1AC2
26 FNS Thionitrosyl fluoride 1A'Cs
27 FSN Thiazyl fluoride 1A'Cs
28 OPCl Phosphorus oxychloride   
29 OClO Chlorine dioxide 2B1D∞h
30 FClO chlorosyl fluoride 1A'Cs
31 ClOF Chlorine hypofluorite 1A'Cs
32 S2N2 Disulfur dinitride 1AGD2h
33 AlF3 Aluminum trifluoride 1A1'D3h
34 ClO2F Chloryl fluoride 1A'Cs
35 ClF3 Chlorine trifluoride 1A1C2v
36 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 cation sih4+  
153 GeH4 Germane geh4  
154 SnH4 Stannane snh4  
155 SiH5+ Silane, protonated sih5+  
156 N Nitrogen atom n  
157 N- Nitrogen atom anion n-  
158 N+ Nitrogen atom cation n+  
159 P Phosphorus atom p  
160 P- Phosphorus atom anion p-  
161 P+ Phosphorus atom cation p+  
162 V Vanadium atom v  
163 V+ Vanadium atom cation v+  
164 As Arsenic atomic as  
165 As- Arsenic anion as-  
166 As+ Arsenic cation as+  
167 Sb Antimony atom sb  
168 NH Imidogen nh  
169 NH- Imidogen anion nh-  
170 NH+ imidogen cation nh+  
171 PH phosphorus monohydride ph  
172 PH- phosphorus monohydride anion ph-  
173 PH+ phosphorus monohydride cation ph+  
174 AsH Arsenic monohydride ash  
175 AsH+ Arsenic monohydride cation ash+  
176 SbH Antimony monohydride sbh  
177 ND2 Amidogen-d2 nd2  
178 NH2 Amino radical nh2  
179 NH2- amino anion nh2-  
180 NH2+ Amino cation nh2+  
181 PH2 Phosphino radical ph2  
182 PH2- Phosphino anion ph2-  
183 PH2+ Phosphino cation ph2+  
184 AsH2 Arsenic dihydride ash2  
185 AsH2+ Arsenic dihydride cation ash2+  
186 ND3 Ammonia-d3 nd3  
187 NH3 Ammonia nh3  
188 NH3- Ammonia anion nh3-  
189 NH3+ ammonia cation nh3+  
190 PH3 Phosphine ph3  
191 PH3+ Phosphine cation ph3+  
192 AsH3 Arsine ash3  
193 AsH3+ Arsine cation ash3+  
194 SbH3 Stibine sbh3  
195 AsH4+ Arsonium ash4+  
196 NH4 Ammonium radical nh4  
197 NH4+ ammonium cation nh4+  
198 PH4 Phosphoranyl radical ph4  
199 PH4+ phosphonium cation ph4+  
200 O Oxygen atom o  
201 O- Oxygen atom anion o-  
202 O+ Oxygen atom cation o+  
203 S Sulfur atom s  
204 S- Sulfur atom anion s-  
205 S+ Sulfur atom cation s+  
206 Cr Chromium atom cr  
207 Se Selenium atom se  
208 Se- Selenium atom anion se-  
209 Se+ Selenium atom cation se+  
210 Te Tellurium atom te  
211 Te+ Tellurium atom cation te+  
212 DO Hydroxyl-d od  
213 OH Hydroxyl radical oh  
214 OH- hydroxide anion oh-  
215 OH+ hydoxyl cation oh+  
216 DS Mercapto-d ds  
217 HS- mercapto anion sh-  
218 HS+ sulfur monohydride cation sh+  
219 CrH Chromium hydride crh  
220 CrH+ Chromium hydride cation crh+  
221 HSe Selenium monohydride hse  
222 HSe- selenium monohydride anion hse-  
223 HSe+ selenium monohydride cation hse+  
224 TeH Telluryl radical teh  
225 D2O Deuterium oxide d2o  
226 H2O Water h2o  
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 anion hcl-  
256 HCl+ hydrogen chloride cation 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 CN Cyano radical cn  
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 n2  
415 N2- nitrogen diatomic anion n2-  
416 N2+ diatomic nitrogen cation n2+  
417 PN Phosphorus mononitride pn  
418 PN- phosphorus nitride anion pn-  
419 PN+ phosphorus nitride cation pn+  
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 hcn  
429 HCN- Hydrogen cyanide anion hcn-  
430 HCN+ hydrogen cyanide cation hcn+  
431 HNC+ hydrogen isocyanide cation hnc+  
432 HCP Phosphaethyne hcp  
433 HCP+ Phosphaethyne cation hcp+  
434 NNH Dinitrogen monohydride nnh  
435 NNH+ Dinitrogen monohydride cation nnh+  
436 HPO Hydrogen phosphorus oxide hpo  
437 HPO+ Hydrogen phosphorus oxide cation hpo+  
438 LiNH2 lithium amide linh2  
439 HBNH Boranimine hbnh  
440 CNH2 Aminomethylidyne radical cnh2  
441 CNH2+ N-protonated hydrogen isocyanide cnh2+  
442 H2CN Dihydrogen cyanide radical h2cn  
443 H2CN+ hydrocyanonium cation h2cn+  
444 HCNH methyleneazane hcnh  
445 HCNH+ N-protonated HCN hcnh+  
446 H2NN Isodiazene h2nn  
447 N2H2 (E)-diazene n2h2  
448 N2H2 (Z)-Diazene n2h2z  
449 N2H2+ trans-diazene cation n2h2+  
450 CH2NH Methanimine ch3n  
451 CH2NH+ Methanimine cation ch2nh+  
452 CHNH2 aminomethylene chnh2  
453 CHNH2+ Aminocarbene cation chnh2+  
454 CH2PH Phosphaethene ch3p  
455 BH2NH2 Boranamine bh2nh2  
456 CH2NH2+ methyleneamine cation ch2nh2+  
457 N2H4 Hydrazine n2h4  
458 N2H4+ hydrazine cation n2h4+  
459 P2H4 Diphosphine p2h4  
460 CH3NH2 methyl amine ch3nh2  
461 CH3NH2+ methyl amine cation ch3nh2+  
462 CH3PH2 Methyl phosphine ch3ph2  
463 SiH3NH2 Silane, amino sih3nh2  
464 N2H5+ protonated hydrazine n2h5+  
465 BH3PH3 borane phosphine bh3ph3  
466 BH3NH3 borane ammonia bh3nh3  
467 CH3NH3 methyl ammonium radical ch3nh3  
468 CH3NH3+ protonated methylamine ch3nh3+  
469 CH3PH3+ methyl phosphine, protonated ch3ph3+  
470 NH3NH3 Ammonia Dimer nh3nh3  
471 N2H7+ ammonia ammonium dimer n2h7+  
472 LiO lithium oxide lio  
473 LiO- lithium oxide anion lio-  
474 LiO+ lithium oxide cation lio+  
475 LiS Lithium monosulfide lis  
476 LiS+ Lithium sulfide cation lis+  
477 NaO sodium monoxide nao  
478 NaO- sodium oxide anion nao-  
479 NaO+ sodium oxide cation nao+  
480 KO Potassium monoxide ko  
481 KO+ Potassium monoxide cation ko+  
482 NaS Sodium sulfide nas  
483 CuO Copper Monoxide cuo  
484 LiSe Lithium monoselenide lise  
485 BeO beryllium oxide beo  
486 BeO- Beryllium monoxide anion beo-  
487 BeO+ Beryllium monoxide cation beo+  
488 BeS beryllium sulfide bes  
489 MgO magnesium oxide mgo  
490 MgO- magnesium oxide anion mgo-  
491 MgO+ magnesium oxide cation mgo+  
492 CaO Calcium monoxide cao  
493 MgS magnesium sulfide mgs  
494 MgS- magnesium sulfide anion mgs-  
495 MgS+ magnesium sulfide cation mgs+  
496 ZnO zinc monoxide zno  
497 ZnS Zinc sulfide zns  
498 BeS- Beryllium monosulfide anion bes-  
499 BeS+ Beryllium monosulfide cation bes+  
500 BO boron monoxide bo  
501 BO- boron monoxide anion bo-  
502 AlO Aluminum monoxide alo  
503 AlO- Aluminum monoxide anion alo-  
504 AlO+ aluminum monoxide cation alo+  
505 BS boron sulfide bs  
506 BS- boron monosulfide anion bs-  
507 BS+ boron monosulfide cation bs+  
508 AlS Aluminum sulfide als  
509 AlS- aluminum monosulfide anion als-  
510 AlS+ aluminum monosulfide cation als+  
511 ScO Scandium monoxide sco  
512 GaO Gallium monoxide gao  
513 GaS Gallium monosulfide gas  
514 BO+ boron monoxide cation bo+  
515 CO Carbon monoxide co  
516 CO- carbon monoxide anion co-  
517 CO+ carbon monoxide cation co+  
518 CS carbon monosulfide cs  
519 CS- carbon monosulfide anion cs-  
520 CS+ carbon monosulfide cation cs+  
521 SiO Silicon monoxide sio  
522 SiO- silicon monoxide anion sio-  
523 SiO+ silicon monoxide cation sio+  
524 SiS silicon monosulfide sis  
525 SiS- silicon monosulfide anion sis-  
526 SiS+ silicon monosulfide cation sis+  
527 TiO Titanium monoxide tio  
528 CSe Carbon monoselenide cse  
529 CSe- Carbon monoselenide anion cse-  
530 CSe+ Carbon monoselenide cation cse+  
531 GeO Germanium monoxide geo  
532 GeO+ Germanium monoxide cation geo+  
533 GeS Germanium monosulfide ges  
534 SiSe Silicon Monoselenide sise  
535 SiSe+ Silicon Monoselenide cation sise+  
536 GeSe Germanium monoselenide gese  
537 NO Nitric oxide no  
538 NO- nitric oxide anion no-  
539 NO+ nitric oxide cation no+  
540 NS- nitrogen sulfide anion ns-  
541 NS+ nitrogen sulfide cation ns+  
542 PO- phosphorus monoxide anion po-  
543 PO+ phosphorus monoxide cation po+  
544 PS phosphorus sulfide ps  
545 PS- phosphorus monosulfide anion ps-  
546 PS+ phosphorus monosulfide cation ps+  
547 VO Vanadium monoxide vo  
548 AsO Arsenic monoxide aso  
549 NSe Nitrogen monoselenide nse  
550 AsS Arsenic monosulfide ass  
551 PSe Phosphorus monoselenide pse  
552 AsSe Arsenic monoselenide asse  
553 O2 Oxygen diatomic o2  
554 O2- oxygen diatomic anion o2-  
555 O2-- dioxygen dianion o2--  
556 O2+ diatomic oxygen cation o2+  
557 SO- sulfur monoxide anion so-  
558 SO+ sulfur monoxide cation so+  
559 S2 Sulfur diatomic s2  
560 S2- sulfur diatomic anion s2-  
561 SeO Selenium monoxide seo  
562 SeO- selenium monoxide anion seo-  
563 SeO+ selenium monoxide cation seo+  
564 SeS Selenium monosulfide ses  
565 SeS- selenium monosulfide anion ses-  
566 SeS+ selenium monosulfide cation ses+  
567 TeO Tellurium monoxide teo  
568 Se2 Selenium diatomic se2  
569 Se2- selenium diatomic anion se2-  
570 Se2+ selenium diatomic cation se2+  
571 Te2 Tellurium diatomic te2  
572 LiOH lithium hydroxide lioh  
573 NaOH sodium hydroxide naoh  
574 KOH Potassium hydroxide koh  
575 BeOH beryllium monohydroxide beoh  
576 MgOH magnesium hydroxide mgoh  
577 CaOH Calcium monohydroxide caoh  
578 HBO Boron hydride oxide hbo  
579 HBS hydrogen boron sulfide hbs  
580 COH Hydroxymethylidyne coh  
581 COH+ Carbon Monoxide, protonated coh+  
582 HCO Formyl radical hco  
583 HCO- formyl anion hco-  
584 HCO+ Formyl cation hco+  
585 HCS Thioformyl radical hcs  
586 HCS- Thioformyl anion hcs-  
587 HCS+ Thioformyl cation hcs+  
588 HNO Nitrosyl hydride hno  
589 HNO- Nitrosyl hydride anion hno-  
590 HNO+ Nitrosyl hydride cation hno+  
591 NOH Hydroxyimidogen noh  
592 NOH+ O-protonated nitric oxide noh+  
593 HNS Sulfur imide hns  
594 HNS- Sulfur imide anion hns-  
595 HO2 Hydroperoxy radical ho2  
596 HO2- Hydroperoxy anion ho2-  
597 HO2+ Hydroperoxy cation ho2+  
598 HSO+ Sulfur Monoxide, S-protonated HSO+  
599 SOH Sulfur Hydroxide soh  
600 SOH+ Sulfur Monoxide, protonated soh+  
601 HS2 Thiosulfeno radical hs2  
602 H2CO Formaldehyde h2co  
603 H2CO- formaldehyde anion h2co-  
604 H2CO+ formaldehyde cation h2co+  
605 HOCH hydroxycarbene hoch  
606 H2CS Thioformaldehyde h2cs  
607 H2CS- thioformaldehyde anion h2cs-  
608 H2CS+ thioformaldehyde cation h2cs+  
609 H2CSe Selenoformaldehyde h2cse  
610 H2NO nitroxide h2no  
611 H2O2 Hydrogen peroxide h2o2  
612 H2O2+ Hydrogen peroxide cation h2o2+  
613 H2OO water oxide h2oo  
614 HOSH hydrogen thioperoxide hosh  
615 H2S2 Disulfane h2s2  
616 H2S2+ hydrogen disulfide cation h2s2+  
617 H2Se2 hydrogen diselenide h2se2  
618 CH2OH Hydroxymethyl radical ch2oh  
619 CH2OH+ hydroxymethyl cation ch2oh+  
620 CH3O Methoxy radical ch3o  
621 CH3O- methoxy anion ch3o-  
622 CH3O+ Methoxy cation ch3o+  
623 CH3S thiomethoxy ch3s  
624 H2CSH+ Thioformaldehyde, protonated h2csh+  
625 NH2OH hydroxylamine nh2oh  
626 NH2OH+ Hydroxylamine cation nh2oh+  
627 NH3O Ammonia Oxide nh3o  
628 H2POH Phosphinous acid h2poh  
629 H3PO Phosphine oxide h3po  
630 NH2SH Thiohydroxylamine nh2sh  
631 NH3S sulfidoazane nh3s  
632 H3O2+ hydrogen peroxide, protonated h3o2+  
633 CH3OH Methyl alcohol ch3oh  
634 CH3OH- Methyl alcohol anion ch3oh-  
635 CH3OH+ Methyl alcohol cation ch3oh+  
636 CH3SH+ Methanethiol cation ch3sh+  
637 SiH3OH silanol sih3oh  
638 CH3SeH Methane selenol ch3seh  
639 NH2OH2+ protonated hydroxylamine nh2oh2+  
640 NH3OH+ N-protonated hydroxylamine nh3oh+  
641 H2OH2O water dimer h2oh2o  
642 CH3OH2+ Methanol, protonated ch3oh2+  
643 H2ONH3 Water Ammonia Dimer h2onh3  
644 H5O2+ Dihydroxonium ion h5o2+  
645 LiF lithium fluoride lif  
646 LiCl lithium chloride licl  
647 LiCl- lithium chloride anion licl-  
648 LiCl+ lithium chloride cation licl+  
649 NaF sodium fluoride naf  
650 NaF- sodium fluoride anion naf-  
651 NaF+ sodium fluoride cation naf+  
652 KF Potassium Fluoride kf  
653 NaCl Sodium Chloride nacl  
654 NaCl- sodium chloride anion nacl-  
655 NaCl+ sodium chloride cation nacl+  
656 KCl Potassium Chloride kcl  
657 CuF Copper monofluoride cuf  
658 LiBr Lithium Bromide libr  
659 LiBr- lithium bromide anion libr-  
660 LiBr+ lithium bromide cation libr+  
661 CuCl Copper monochloride cucl  
662 NaBr Sodium Bromide nabr  
663 NaBr- sodium bromide anion nabr-  
664 NaBr+ sodium bromide cation nabr+  
665 KBr Potassium Bromide kbr  
666 LiI Lithium Iodide lii  
667 NaI Sodium Iodide nai  
668 KI Potassium Iodide ki  
669 LiF- lithium fluoride anion lif-  
670 LiF+ lithium fluoride cation lif+  
671 BeF Beryllium monofluoride bef  
672 BeF- Beryllium monofluoride anion bef-  
673 BeF+ Beryllium monofluoride cation bef+  
674 BeCl beryllium monochloride becl  
675 MgF Magnesium monofluoride mgf  
676 MgF- magnesium fluoride anion mgf-  
677 MgF+ magnesium fluoride cation mgf+  
678 CaF Calcium monofluoride caf  
679 MgCl magnesium monochloride mgcl  
680 MgCl- magnesium monochloride anion mgcl-  
681 MgCl+ magnesium monochloride cation mgcl+  
682 CaCl calcium monochloride cacl  
683 TiCl Titanium Monochloride ticl  
684 ZnF Zinc monofluoride znf  
685 ZnF- Zinc monofluoride anion znf-  
686 ZnF+ Zinc monofluoride cation znf+  
687 ZnCl Zinc monochloride zncl  
688 CaBr Calcium monobromide cabr  
689 BeCl- beryllium monochloride anion becl-  
690 BeCl+ beryllium monochloride cation becl+  
691 BF Boron monofluoride bf  
692 BF- Boron monofluoride anion bf-  
693 BF+ Boron monofluoride cation bf+  
694 AlF Aluminum monofluoride alf  
695 AlF- Aluminum monofluoride anion alf-  
696 AlF+ Aluminum monofluoride cation alf+  
697 BCl boron monochloride bcl  
698 BCl- boron monochloride anion bcl-  
699 BCl+ boron monochloride cation bcl+  
700 AlCl Aluminum monochloride alcl  
701 AlCl- aluminum monochloride anion alcl-  
702 AlCl+ aluminum monochloride cation alcl+  
703 ScF Scandium monofluoride scf  
704 BBr Boron monobromide bbr  
705 GaF Gallium monofluoride gaf  
706 GaF+ Gallium monofluoride cation gaf+  
707 AlBr Aluminum monobromide albr  
708 GaCl Gallium monochloride gacl  
709 GaCl+ Gallium monochloride cation gacl+  
710 AlI Aluminum monoiodide ali  
711 GaBr Gallium monobromide gabr  
712 CF Fluoromethylidyne cf  
713 CF- carbon monofluoride anion cf-  
714 CF+ carbon monofluoride cation cf+  
715 CCl carbon monochloride ccl  
716 CCl- carbon monochloride anion ccl-  
717 CCl+ carbon monochloride cation ccl+  
718 SiF silicon monofluoride sif  
719 SiF- silicon monofluoride anion sif-  
720 SiF+ silicon monofluoride cation sif+  
721 SiCl Clorosilylidyne sicl  
722 SiCl- silicon monochloride anion sicl-  
723 SiCl+ silicon monochloride cation sicl+  
724 CBr Carbon monobromide cbr  
725 GeF Germanium monofluoride gef  
726 GeF+ Germanium monofluoride cation gef+  
727 GeCl Germanium monochloride gecl  
728 GeCl+ Germanium monochloride cation gecl+  
729 SiBr Silicon monobromide sibr  
730 SiBr+ Silicon monobromide cation sibr+  
731 NF nitrogen fluoride nf  
732 NF- nitrogen monofluorine anion nf-  
733 NF+ nitrogen monofluoirde cation nf+  
734 NCl- nitrogen monochloride anion ncl-  
735 NCl+ nitrogen monochloride cation ncl+  
736 PF phosphorus monofluoride pf  
737 PF- phosphorus monofluoride anion pf-  
738 PF+ phosphorus monofluoride cation pf+  
739 PCl phosphorus chloride pcl  
740 PCl- phosphorus monochloride anion pcl-  
741 PCl+ phosphorus monochloride cation pcl+  
742 AsF Arsenic monofluoride asf  
743 NBr nitrogen monobromide nbr  
744 AsCl Arsenic monochloride ascl  
745 PBr Phosphorus monobromide pbr  
746 SbF Antimony monofluoride sbf  
747 SbCl Antimony monochloride sbcl  
748 FO Oxygen monofluoride fo  
749 FO- flourine oxide anion fo-  
750 FO+ fluorine monoxide cation fo+  
751 ClO- chlorine monoxide anion clo-  
752 ClO+ chlorine monoxide cation clo+  
753 SF Monosulfur monofluoride sf  
754 SF- sulfur monofluoride anion sf-  
755 SF+ sulfur monofluoride cation sf+  
756 SCl sulfur monochloride scl  
757 SCl- sulfur monochloride anion scl-  
758 SCl+ sulfur monochloride cation scl+  
759 BrO Bromine monoxide bro  
760 BrO- Bromine monoxide anion bro-  
761 BrO+ Bromine monoxide cation bro+  
762 SeF Selenium monofluoride sef  
763 SBr Sulfur monobromide radical sbr  
764 SBr+ Sulfur monobromide cation sbr+  
765 SeCl Selenium monochloride secl  
766 IO Iodine monoxide io  
767 SeBr Selenium monobromide sebr  
768 BrCl Bromine monochloride brcl  
769 F2 Fluorine diatomic f2  
770 F2- flourine diatomic anion f2-  
771 F2+ flourine diatomic cation f2+  
772 ClF- clorine monofluoride anion clf-  
773 ClF+ clorine monofluoride cation clf+  
774 Cl2 Chlorine diatomic cl2  
775 Cl2- chlorine diatomic anion cl2-  
776 Cl2+ chlorine diatomic cation cl2+  
777 BrF Bromine monofluoride brf  
778 BrF- bromine fluoride anion brf-  
779 BrF+ bromine fluoride cation brf+  
780 BrCl- bromine chloride anion brcl-  
781 BrCl+ bromine chloride cation brcl+  
782 IF Iodine monofluoride if  
783 Br2 Bromine diatomic br2  
784 Br2- bromine diatomic anion br2-  
785 Br2+ bromine diatomic cation br2+  
786 ICl Iodine monochloride icl  
787 IBr Iodine monobromide ibr  
788 I2 Iodine diatomic i2  
789 I2+ Iodine diatomic cation i2+  
790 HCF Fluoromethylene hcf  
791 HCCl Chloromethylene hccl  
792 HSiF fluorosilylene hsif  
793 HSiCl Chlorosilylene hsicl  
794 HSiBr monobromosilylene hsibr  
795 CHBr bromomethylene chbr  
796 HOF Hypofluorous acid hfo  
797 DOCl Hypochlorous acid-d docl  
798 HOCl hypochlorous acid hocl  
799 HOCl+ hypochlorous acid cation hocl+  
800 HOBr Hypobromous acid hobr  
801 HOBr+ Hypobromous acid cation hobr+  
802 HOI Hypoiodous acid hoi  
803 F2H+ Fluorine, protonated f2h+  
804 FHF Hydrogen difluoride fhf  
805 FHF- Hydrogen difluoride anion fhf-  
806 ClFH+ Chlorine fluoride, F-protonated clfh+  
807 FClH+ Chlorine fluoride, Cl-protonated fclh+  
808 Cl2H+ Chlorine, protonated cl2h+  
809 CH2Br bromomethyl radical ch2br  
810 CH2F fluoromethyl radical ch2f  
811 CH2F+ fluoromethyl cation ch2f+  
812 CH2Cl+ chloromethyl cation ch2cl+  
813 CH2Cl chloromethyl radical ch2cl  
814 NH2F monofluoroamine nh2f  
815 NH2Cl chloramine nh2cl  
816 H2F2 Hydrogen fluoride dimer h2f2  
817 CH3F+ methyl fluoride cation ch3f+  
818 CD3F methylfluoride-d3 cd3f  
819 CH3F Methyl fluoride ch3f  
820 CD3Cl methyl chloride d3 cd3cl  
821 CH3Cl+ Methyl chloride cation ch3cl+  
822 SiH3F monofluorosilane sih3f  
823 SiH3Cl chlorosilane sih3cl  
824 CH3Br methyl bromide ch3br  
825 GeH3F monofluorogermane geh3f  
826 GeH3Cl monochlorogermane geh3cl  
827 SiH3Br bromosilane sih3br  
828 CH3I methyl iodide ch3i  
829 SiH3I Silyl Iodide sih3i  
830 NH3Cl+ protonated monochloroammonia nh3cl+  
831 CH3ClH+ methyl chloride, protonated ch3clh+  
832 NH4Cl Ammonium chloride nh4cl  
833 LiNe+ Lithium Neon cation line+  
834 Ne2 Neon diatomic ne2  
835 Ne2+ Neon diatomic cation ne2+  
836 Ar2 Argon diatomic ar2  
837 Ar2+ Argon diatomic cation ar2+  
838 Li3 Lithium trimer li3  
839 Li3+ Lithium trimer cation li3+  
840 C3 carbon trimer c3  
841 C3+ carbon trimer cation c3+  
842 SiC2 Silicon dicarbide sic2  
843 C3H3 cyclopropenyl radical cpr  
844 C3H3 Propargyl radical propargyl  
845 C3H3- Propargyl anion c3h3-  
846 C3H3+ cyclopropenyl cation cpr+  
847 C3H3+ Propargyl cation c3h3+  
848 C3H4 cyclopropene cprop  
849 CH2CCH2 allene allene  
850 CH3CCH propyne propyne  
851 C3H5 Allyl radical allyl  
852 C3H5+ Allyl cation allyl+  
853 CH3CHCH 1-propenyl radical ch3chch  
854 Zn(CH3)2 dimethyl zinc dmz  
855 C3H6 Cyclopropane c3h6  
856 CH2CHCH3 Propene propene  
857 C3H7 n-Propyl radical npropyl  
858 C3H7+ cyclopropane, protonated c3h7+  
859 CH3CHCH3 Isopropyl radical isopropyl  
860 CH3CHCH3+ Isopropyl cation prop2yl+  
861 C3H8 Propane propane  
862 SiH2(CH3)2 dimethylsilane dms  
863 LiCN lithium cyanide licn  
864 NaCN Sodium Cyanide nacn  
865 KCN Potassium cyanide kcn  
866 CuCN Copper cyanide cucn  
867 ZnCN Zinc monocyanide zncn  
868 ZnNC Zinc isocyanide znnc  
869 AlCN Aluminum monocyanide alcn  
870 AlNC Aluminum isocyanide alnc  
871 CN2 3H-Diazirin-3-ylidene cn2  
872 CNN Diazocarbene cnn  
873 NCN Cyanoimidogen ncn  
874 N3 azide radical n3  
875 N3- azide anion n3-  
876 N3+ azide cation n3+  
877 HCCN cyanomethylene hccn  
878 HCNN diazomethyl radical hcnn  
879 HN3 hydrogen azide hn3  
880 HN3+ Hydrazoic acid cation hn3+  
881 HNCNH diiminomethane hncnh  
882 CH2N2 diazirine ch2n2  
883 CH2NN diazomethane ch2nn  
884 NH2CN cyanamide cyanamide  
885 HNNNH+ 1,2-Triazadienium n2h3+  
886 NH2NN+ hydrazoic acid, protonated nh2nn+  
887 CH3CN Acetonitrile ch3cn  
888 CH3CN- acetonitrile anion ch3cn-  
889 CH3CN+ Acetonitrile cation ch3cn+  
890 CH3NC methyl isocyanide ch3nc  
891 CHNCH2 2H-Azirine c157164  
892 CHNHCH 1H-Azirine chnhch  
893 H2CCNH Ethenimine ch2cnh  
894 H2CNCH methyleneaminomethylene ch2nch  
895 HCCNH2 Ethynamine hccnh2  
896 HCNCH2+ 2H-Azirine cation hcnch2+  
897 HNCNH2+ diiminomethane, protonated hncnh2+  
898 NCNH3+ Cyanamide, protonated ncnh3+  
899 NH2CNH+ cyanamide, cn protonated nh2cnh+  
900 NH3CN+ cyanamide, amine protonated nh3cn+  
901 CH2CHNH vinylazine ch2chnh  
902 CH3CHN methylmethaniminyl radical ch3chn  
903 NHCHNH2 aminomethanimine cn2h4  
904 C2H5N Aziridine c2h5n  
905 CH2CHNH2 aminoethene aminoethene  
906 CH2NCH3 N-methylmethanimine nmm  
907 CH3CHNH ethanimine ethanimine  
908 NH2BHNH2 diaminoborane nh2bhnh2  
909 C2H5NH+ Protonated Aziridine c2h5nh+  
910 C2H6N+ aziridine, protonated c2h6n+  
911 NH2CH2NH2 diaminomethane nh2ch2nh2  
912 CH3CH2NH2 Ethylamine etam  
913 CH3NHCH3 Dimethylamine ch3nhch3  
914 CH3PHCH3 dimethylphosphine ch3phch3  
915 NH2CH2NH3+ diaminoethane, protonated pdam  
916 (CH3)2NH2+ dimethylammonium cation dmam  
917 CH3CH2NH3+ ethylamine, protonated pea  
918 Li2O dilithium oxide li2o  
919 Li2O+ dilithium oxide cation li2o+  
920 Li2S dilithium sulfide li2s  
921 Na2O disodium monoxide na2o  
922 Na2S Sodium sulfide na2s  
923 LiO2 Lithium dioxide lio2  
924 NaO2 Sodium superoxide nao2  
925 CCO Dicarbon monoxide cco  
926 CNO- fulminate cno-  
927 NCO isocyanato radical nco  
928 NCO- cyanate nco-  
929 SCN thiocyanato radical scn  
930 SCN- thiocyanide anion scn-  
931 BO2 Boron dioxide bo2  
932 BO2- Boron dioxide anion bo2-  
933 BO2+ Boron dioxide cation bo2+  
934 N2O Nitrous oxide n2o  
935 N2O- Nitrous oxide anion n2o-  
936 N2O+ Nitrous oxide cation n2o+  
937 NNS Nitrogen sulfide nns  
938 PPO Phosphorus oxide phosphide ppo  
939 CO2 Carbon dioxide co2  
940 CO2- Carbon dioxide anion co2-  
941 CO2+ Carbon dioxide cation co2+  
942 OCS Carbonyl sulfide cos  
943 OCS+ Carbonyl sulfide cation cos+  
944 SiO2 silicon dioxide sio2  
945 CS2 Carbon disulfide cs2  
946 CS2- Carbon disulfide anion cs2-  
947 CS2+ Carbon disulfide cation cs2+  
948 TiO2 Titanium dioxide tio2  
949 SiS2 Silicon disulfide sis2  
950 GeO2 Germanium dioxide geo2  
951 OCSe Carbonyl selenide ocse  
952 SCSe Carbon sulfide selenide scse  
953 GeS2 Germanium disulfide ges2  
954 CSe2 Carbon diselenide cse2  
955 SCTe Carbon sulfide Telluride scte  
956 NO2 Nitrogen dioxide no2  
957 NO2- Nitrogen dioxide anion no2-  
958 NO2+ Nitrogen dioxide cation no2+  
959 NSO sulfinyl amidogen NSO  
960 PO2 Phosphorus dioxide po2  
961 PO2- Phosphorus dioxide anion po2-  
962 PO2+ Phosphorus dioxide cation po2+  
963 AsO2 Aresenic dioxide aso2  
964 O3 Ozone o3  
965 O3- Ozone anion o3-  
966 O3+ Ozone cation o3+  
967 SO2 Sulfur dioxide so2  
968 SO2- Sulfur dioxide anion so2-  
969 SO2+ Sulfur dioxide cation so2+  
970 SSO Disulfur monoxide sso  
971 S3 Sulfur trimer s3  
972 S3- Sulfur trimer anion s3-  
973 S3+ Sulfur trimer cation s3+  
974 SeO2 Selenium dioxide seo2  
975 SeO2+ Selenium dioxide cation seo2+  
976 TeO2 Tellurium Dioxide teo2  
977 HCCO ketenyl radical ketenyl  
978 CS2H+ Carbon disulfide, protonated cs2h+  
979 HCNO fulminic acid hcno  
980 HNCO Isocyanic acid hnco  
981 HOCN cyanic acid hocn  
982 HNCS Isothiocyanic acid hncs  
983 HSCN thiocyanic acid hscn  
984 HCO2- formate anion hco2-  
985 HNNO nitrosoazane hnno  
986 HNNO+ Nitrous oxide, N-protonated hnno+  
987 NNOH+ Nitrous Oxide, O-protonated nnoh+  
988 HCOO formate neutral radical hcoo  
989 HOCO Hydrocarboxyl radical hoco  
990 HOCO+ Hydrocarboxyl cation hoco+  
991 HNO2 Nitrous acid hno2  
992 HNO2+ nitrous acid cation hno2+  
993 O3H+ protonated ozone o3h+  
994 SO2H+ protonated sulfur dioxide so2h+  
995 C2H2O Oxirene oxirene  
996 CH2CO Ketene ch2co  
997 CH2CO+ Ketene cation ch2co+  
998 HCCOH ethynol hccoh  
999 CH2CS Thioketene ch2cs  
1000 Be(OH)2 Beryllium hydroxide beo2h2  
1001 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1002 NH2NO Nitrosamide nh2no  
1003 CH2O2 Dioxirane diox  
1004 H2COO Dioxymethyl radical h2coo  
1005 H2COO+ dioxymethyl cation h2coo+  
1006 HCOOH Formic acid ch2o2  
1007 H2O3 Hydrogen trioxide h2o3  
1008 NaOCH3 Sodium methoxide naoch3  
1009 CH2BOH hydroxy(methylene)borane ch2boh  
1010 BH3CO Borane carbonyl bh3co  
1011 CH3BO Borane, methyloxo- ch3bo  
1012 CH2CHO Vinyloxy radical ch2cho  
1013 CH2COH+ ketene, protonated ch2coh+  
1014 CH3CO Acetyl radical ch3co  
1015 CH3CO- Acetyl anion ch3co-  
1016 CH3CO+ acetyl cation ch3co+  
1017 CH2NOH formaldoxime ch2noh  
1018 CH3NO nitrosomethane ch3no  
1019 CHONH2 formamide formamide  
1020 CNOH3 1,2-oxaziridine cnoh3  
1021 HOCHNH hydroxymethylimine hochnh  
1022 CHSNH2 thioformamide chsnh2  
1023 NHCHSH Methanimidothioic acid nhchsh  
1024 CH2OOH CH2OOH radical ch2ooh  
1025 CH3OO methylperoxy radical ch3oo  
1026 CH3OO- methylperoxy anion ch3oo-  
1027 CH3OO+ methylperoxy cation ch3oo+  
1028 C2H4O Ethylene oxide c2h4o  
1029 C2H4O+ ethylene oxide cation c2h4o+  
1030 CH2CHOH ethenol ch2choh  
1031 CH3CHO Acetaldehyde ch3cho  
1032 CH3CHO+ acetaldehyde cation ch3cho+  
1033 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1034 C2H4S Thiirane thiirane  
1035 CH2CHSH Ethenethiol ch2chsh  
1036 CH3CHS Thioacetaldehyde ch3chs  
1037 H2CONH2+ protonated formamide h2conh2+  
1038 NH2CHOH+ Formamide, O-protonated nh2choh+  
1039 NH3CHO+ Formamide, N-Protonated nh3cho+  
1040 CH2(OH)2 methanediol ch2o2h2  
1041 CH3OOH Methyl peroxide ch3ooh  
1042 CH3SSH Hydrogen methyl disulfide ch3ssh  
1043 HSCH2SH Methanedithiol ch4s2  
1044 H2OH2CO water formaldehyde dimer h2oh2co  
1045 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1046 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1047 CH3CH2O Ethoxy radical ethoxy  
1048 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1049 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1050 CH3OCH2 methoxymethyl radical ch3och2  
1051 NH2CH2OH aminomethanol nh2ch2oh  
1052 CH3CH2OH Ethanol etoh  
1053 CH3OCH3 Dimethyl ether meome  
1054 CH3CH2SH ethanethiol etsh  
1055 CH3SCH3 Dimethyl sulfide mesme  
1056 CH3SCH3+ dimethyl sulfide cation mesme+  
1057 CH3SeCH3 dimethylselenide dmse  
1058 CH3OHH2O methanol water dimer ch3ohh2o  
1059 H2OCH3OH water methanol dimer h2och3oh  
1060 CuF2 Copper difluoride cuf2  
1061 ZnF2 Zinc difluoride znf2  
1062 CNF iso cyanogen fluoride cnf  
1063 FCN Cyanogen fluoride fcn  
1064 ClCN chlorocyanogen clcn  
1065 BrCN Cyanogen bromide brcn  
1066 ICN Cyanogen iodide icn  
1067 FBO Boron monofluoride monoxide fbo  
1068 BeF2 Beryllium fluoride bef2  
1069 MgF2 Magnesium fluoride mgf2  
1070 BeCl2 Beryllium chloride becl2  
1071 MgCl2 Magnesium dichloride mgcl2  
1072 CaCl2 Calcium Chloride cacl2  
1073 ZnCl2 Zinc dichloride zncl2  
1074 BeBr2 Beryllium bromide bebr2  
1075 CaBr2 Calcium dibromide cabr2  
1076 CaF2 Calcium difluoride caf2  
1077 FCO Carbonyl fluoride fco  
1078 FCO+ Carbonyl fluoride cation fco+  
1079 ClCO carbonyl monochloride clco  
1080 BF2 Boron difluoride radical bf2  
1081 FNO Nitrosyl fluoride fno  
1082 ClNO Nitrosyl chloride clno  
1083 BrNO Nitrosyl bromide brno  
1084 INO Nitrosyl iodide ino  
1085 CF2 Difluoromethylene cf2  
1086 CF2- Difluoromethylene anion cf2-  
1087 CF2+ Difluoromethylene cation cf2+  
1088 CFCl chlorofluoromethylene cfcl  
1089 SiF2 Silicon difluoride sif2  
1090 SiF2+ Silicon difluoride cation sif2+  
1091 CCl2 dichloromethylene ccl2  
1092 CCl2- dichloromethylene anion ccl2-  
1093 CCl2+ dichloromethylene cation ccl2+  
1094 SiCl2 Dichlorosilylene sicl2  
1095 GeF2 Germanium difluoride gef2  
1096 GeCl2 Germanium dichloride gecl2  
1097 CBr2 dibromomethylene cbr2  
1098 FOO Dioxygen monofluoride radical foo  
1099 FOO+ Fluorine dioxide cation foo+  
1100 ClOO chloroperoxy radical cloo  
1101 ClOO+ chloroperoxy cation cloo+  
1102 OClO- Chlorine dioxide anion oclo-  
1103 OClO+ Chlorine dioxide cation oclo+  
1104 ClSO Sulfur chloride oxide clso  
1105 ClS2 Sulfur chloride cls2  
1106 BrOO Bromine dioxide broo  
1107 OBrO Bromine dioxide radical obro  
1108 NF2 Difluoroamino radical nf2  
1109 NF2+ Difluoroamino cation nf2+  
1110 PF2 Phosphorus difluoride pf2  
1111 PF2+ Phosphorus difluoride cation pf2+  
1112 F2O Difluorine monoxide f2o  
1113 SF2 sulfur difluoride sf2  
1114 SF2- sulfur difluoride anion sf2-  
1115 SF2+ sulfur difluoride cation sf2+  
1116 Cl2O Dichlorine monoxide cl2o  
1117 SCl2 Sulfur dichloride scl2  
1118 SeF2 Selenium difluoride sef2  
1119 BrOCl Bromine hypochlorite brocl  
1120 SeCl2 Selenium Dichloride secl2  
1121 SBr2 Sulfur dibromide sbr2  
1122 SeBr2 Selenium dibromide sebr2  
1123 BrOBr Bromine oxide brobr  
1124 F3- trifluoride anion f3-  
1125 Cl3- trichloride anion cl3-  
1126 Br3- tribromide anion br3-  
1127 I3- triiodide i3-  
1128 SFCl Sulfur chloride fluoride sfcl  
1129 HCCF Fluoroacetylene hccf  
1130 HCCF+ fluoroacetylene cation hccf+  
1131 HCCCl Chloroacetylene hcccl  
1132 HCCBr bromoacetylene hccbr  
1133 HFCO formyl fluoride hfco  
1134 HFCO+ formyl fluoride cation hfco+  
1135 COHCl Formyl chloride cohcl  
1136 COHBr Formyl bromide cohbr  
1137 BHF2 Difluoroborane bhf2  
1138 BHCl2 Borane, dichloro- bhcl2  
1139 CHCl2 dichloromethyl radical chcl2  
1140 CHF2 difluoromethyl radical chf2  
1141 CHF2+ difluoromethyl cation chf2+  
1142 CHFCl Chlorofluoromethyl radical chfcl  
1143 CHFCl+ Chlorofluoromethyl cation chfcl+  
1144 CHCl2+ dichloromethyl cation chcl2+  
1145 CHBr2 dibromomethyl radical chbr2  
1146 HOClO Chlorous acid hoclo  
1147 NHF2 difluoramine nhf2  
1148 NHCl2 dichloroamine nhcl2  
1149 CH2F2 Methane, difluoro- ch2f2  
1150 CH2FCl fluorochloromethane ch2fcl  
1151 SiH2F2 difluorosilane sih2f2  
1152 CH2Cl2 Methylene chloride ch2cl2  
1153 CH2BrF Methane, bromofluoro- ch2fbr  
1154 CH2BrCl Methane, bromochloro- ch2clbr  
1155 CH2FI fluoroiodomethane ch2fi  
1156 CH2Br2 dibromomethane ch2br2  
1157 CH2ClI chloroiodomethane ch2cli  
1158 CH2BrI bromoiodomethane ch2bri  
1159 CH2I2 Diiodomethane ch2i2  
1160 SiH2Cl2 dichlorosilane sih2cl2  
1161 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1162 CH2CHF Ethene, fluoro- ch2chf  
1163 CH2CHF+ fluoroethene cation ch2chf+  
1164 C2H3Cl Ethene, chloro- ch2chcl  
1165 C2H3Br vinyl bromide c2h3br  
1166 C2H3I Vinyl iodide c2h3i  
1167 CH2FOH fluoromethanol ch2foh  
1168 CH3OCl methyl hypochlorite ch3ocl  
1169 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1170 CHClCH3 1-chloroethyl radical chclch3  
1171 C2H5F fluoroethane c2h5f  
1172 CH3CH2Cl Ethyl chloride c2h5cl  
1173 CH3SiFH2 fluoromethylsilane ch3sifh2  
1174 C2H5Br Ethyl bromide etbr  
1175 C2H5I Ethyl iodide c2h5i  
1176 KrF2 Krypton difluoride krf2  
1177 XeF2 Xenon difluoride xef2  
1178 B4H10 Tetraborane(10) b4h10  
1179 C4 Carbon tetramer c4  
1180 C4+ Carbon tetramer cation c4+  
1181 C4H2 Diacetylene c4h2  
1182 C4H2+ diacetlyene cation c4h2+  
1183 C2H3CCH 1-Buten-3-yne c2h3cch  
1184 C4H4 cyclobutadiene cbd  
1185 C4H4 Tetrahedrane c4h4  
1186 H2CCCCH2 Butatriene h2cccch2  
1187 C4H6 1-Methylcyclopropene c3100047  
1188 C4H6 Cyclobutene c822355  
1189 C4H6 Methylenecyclopropane c6142730  
1190 CH2CCHCH3 1,2-Butadiene butad12  
1191 CH2CHCHCH2 1,3-Butadiene c106990  
1192 CH3CCCH3 2-Butyne c503173  
1193 CHCCH2CH3 1-Butyne c107006  
1194 CH3CHCHCH2 methylallyl radical c4h7  
1195 C4H8 methylcyclopropane mcp  
1196 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1197 CH2CHCH2CH3 1-Butene bute1  
1198 CH3CHCHCH3 2-Butene, (E)- bute2e  
1199 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1200 B(CH3)3 trimethylborane bme3  
1201 Al(CH3)3 trimethyl aluminum tma  
1202 C(CH3)3 Tert-butyl radical tbutyl  
1203 CH2CH(CH3)2 Isobutyl radical isobutyl  
1204 CH3CHCH2CH3 2-Butyl radical butyl2  
1205 CH3CH(CH3)CH3 Isobutane isobutane  
1206 CH3CH2CH2CH3 Butane butane  
1207 SiH(CH3)3 trimethylsilane trimsi  
1208 Li3N trilithium nitride li3n  
1209 C2N2 Cyanogen c2n2  
1210 C2N2+ Cyanogen cation c2n2+  
1211 P4 Phosphorus tetramer p4  
1212 As4 Arsenic tetramer as4  
1213 HCCCN Cyanoacetylene hcccn  
1214 HCCCN+ Cyanoacetylene cation hcccn+  
1215 H2CNCN cyanamide, methylene ch2ncn  
1216 HNCCNH Ethenediimine hnccnh  
1217 C3H3N acrylonitrile ch2chcn  
1218 C3H3N+ acrylonitrile cation ch2chcn+  
1219 CH3N3 methyl azide ch3n3  
1220 NH2CCNH2 Diaminoacetylene daa  
1221 NH2CH2CN Aminoacetonitrile aan  
1222 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1223 C2H5CN ethyl cyanide c2h5cn  
1224 CH5N3 Guanidine guanidine  
1225 C4H6 Bicyclo[1.1.0]butane c157335  
1226 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1227 H2NCHCHNH2 diaminoethylene dae  
1228 CH6N3+ guanidinium ch6n3+  
1229 C3H7N Cyclopropylamine cpram  
1230 CH7N3 triaminomethane tam  
1231 C3H7N Azetidine azet  
1232 C4H8 cyclobutane cbutane  
1233 C2H8N2 Ethylenediamine ethdiam  
1234 CH3NHNHCH3 dimethyl hydrazine dmh  
1235 CH3CH(NH2)CH3 2-Propanamine pram2  
1236 N(CH3)3 Trimethylamine trimeam  
1237 NH2CH2CH2CH3 1-Propanamine pram1  
1238 P(CH3)3 trimethylphosphine tmp  
1239 N(SiH3)3 trisilylamine tsa  
1240 As(CH3)3 trimethyl arsine tmas  
1241 (CH3)3NH+ protonated trimethyl amine ptma  
1242 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1243 Li2O2 dilithium dioxide li2o2  
1244 Na2O2 disodium dioxide na2o2  
1245 K2O2 dipotassium dioxide k2o2  
1246 C3O Tricarbon monoxide c3o  
1247 B2O2 Diboron dioxide b2o2  
1248 ONNO NO dimer onno  
1249 CO3 Carbon trioxide co3  
1250 CO3-- carbonate co3--  
1251 CS3-- Carbonotrithioate cs3--  
1252 NO3 Nitrogen trioxide no3  
1253 NO3- nitrate anion no3-  
1254 NO3+ nitrogen trioxide cation no3+  
1255 SO3 Sulfur trioxide so3  
1256 SO3- Sulfur trioxide anion so3-  
1257 SO3-- Sulfate dianion so3--  
1258 SO3+ Sulfur trioxide cation so3+  
1259 SeO3 selenium trioxide seo3  
1260 S4 Sulfur tetramer s4  
1261 TeO3 Tellurium trioxide teo3  
1262 HCO3- bicarbonate anion hco3-  
1263 HNO3 Nitric acid hno3  
1264 HSO3 Hydroxysulfonyl radical hso3  
1265 NH2NO2 nitramide nh2no2  
1266 C2H2CO cyclopropenone c2h2co  
1267 C3H2O Propadienal c3h2o  
1268 HCCCHO 2-propynal hcccho  
1269 C2H2O2 Ethanedial c2h2o2  
1270 C2H2O2+ Ethanedial cation c2h2o2+  
1271 H2CO3 Carbonic acid h2co3  
1272 H2CS3 thiocarbonic acid h2cs3  
1273 H2NO3+ Nitric Acid, Protonated h2no3+  
1274 H2SO3 Sulfurous acid h2so3  
1275 C2H3NO Nitrosoethylene c2h3no  
1276 CH3NCO methylisocyante ch3nco  
1277 HOCH2CN cyanomethanol hoch2cn  
1278 CH3COO- acetate anion ch3coo-  
1279 CH3NO2 Methane, nitro- ch3no2  
1280 CH3ONO Methyl nitrite ch3ono  
1281 NH2COOH Carbamic acid nh2cooh  
1282 H3BO3 Boric acid h3bo3  
1283 H3AlO3 Aluminum hydroxide h3alo3  
1284 H3CO3+ carbonic acid, protonated h3co3+  
1285 C3H4O 2-Propyn-1-ol c107197  
1286 C3H4O allenol c9000071  
1287 C3H4O Cyclopropanone cpone  
1288 C3H4O Methylketene c6004440  
1289 CH2CHCHO Acrolein c3h4o  
1290 NH2CONH2 Urea urea  
1291 NH2CONH2+ Urea cation urea+  
1292 NH2CSNH2 Thiourea thiourea  
1293 C2H4O2 1,3-dioxetane c2h4o2  
1294 CH3COOH Acetic acid ch3cooh  
1295 CH3OCHO methyl formate ch3ocho  
1296 CHOCH2OH hydroxy acetaldehyde haa  
1297 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1298 NH3COOH+ protonated Carbamic acid nh3cooh+  
1299 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1300 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1301 HCOOHH2O Formic acid water dimer hcoohh2o  
1302 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1303 CH3COCH2 Acetonyl radical ch3coch2  
1304 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1305 CH3C(OH)=NH Ethaninidic acid eia  
1306 CH3CHNOH Acetaldoxime acetaldoxime  
1307 CH3CONH2 Acetamide acetamide  
1308 HCONHCH3 N-methylformamide nmfa  
1309 CH3CSNH2 Ethanethioamide ch3csnh2  
1310 CH5N2O+ urea, N-protonated ch4n2o+  
1311 H2NCOHNH2+ urea, protonated ureah+  
1312 C2H5OO ethylperoxy radical c2h5oo  
1313 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1314 C3H5OH Cyclopropanol cproh  
1315 C3H6O 2-Propen-1-ol c107186  
1316 C3H6O Acetone enol enol  
1317 C3H6O Oxetane oxetane  
1318 C3H6O Propylene oxide prox  
1319 CH3CH2CHO Propanal propanal  
1320 CH3COCH3 Acetone acetone  
1321 CH3COCH3- acetone anion ch3coch3-  
1322 C3H6S Thietane thietane  
1323 C3H6S Thiirane, methyl- methiirane  
1324 CH3CSCH3 Thioacetone ch3csch3  
1325 C2H6O2 1,2-Ethanediol ethdiol  
1326 CH3OOCH3 dimethylperoxide dmp  
1327 CH3SOCH3 Dimethyl sulfoxide dmso  
1328 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1329 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1330 CH3COHCH3+ acetone, protonated acetoneh+  
1331 HOCH2CH2NH2 monoethanolamine mea  
1332 C3H7OH 1-Propanol proh  
1333 CH3CHOHCH3 Isopropyl alcohol isoproh  
1334 CH3OC2H5 Ethane, methoxy- etome  
1335 C3H7SH 1-Propanethiol prsh  
1336 CH3CHSHCH3 2-Propanethiol isoprsh  
1337 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1338 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1339 Li2F2 Lithium fluoride dimer li2f2  
1340 Na2F2 Sodium Fluoride Dimer na2f2  
1341 Na2Cl2 Disodium dichloride na2cl2  
1342 C2F2 difluoroacetylene c2f2  
1343 C2Cl2 dichloroacetylene c2cl2  
1344 C2Cl2+ dichloroacetylene cation c2cl2+  
1345 FNO2 Nitryl fluoride fno2  
1346 FONO Nitrosyl hypofluorite fono  
1347 ClNO2 Nitryl chloride clno2  
1348 ClONO chlorine nitrite clono  
1349 BrONO Bromine nitrite brono  
1350 N2F2 (Z)-Difluorodiazene n2f2_z  
1351 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1352 CF2O Carbonic difluoride f2co  
1353 CF2O+ Carbonic difluoride cation f2co+  
1354 COFCl Carbonic chloride fluoride cofcl  
1355 CCl2O Phosgene cl2co  
1356 Cl2CS Thiophosgene cl2cs  
1357 COBr2 Carbonic dibromide cobr2  
1358 BF3 Borane, trifluoro- bf3  
1359 BF3- Borane, trifluoro- anion bf3-  
1360 BF3+ boron trifluoride cation bf3+  
1361 BClF2 Chlorodifluoroborane bclf2  
1362 AlF2Cl Aluminum chloride difluoride alclf2  
1363 ScF3 Scandium trifluoride ScF3  
1364 AlFCl2 Aluminum dichloride fluoride alcl2f  
1365 BCl3 Borane, trichloro- bcl3  
1366 BCl3+ Boron Trichloride cation bcl3+  
1367 GaF3 Gallium trifluoride gaf3  
1368 AlCl3 Aluminum trichloride alcl3  
1369 GaCl3 Gallium trichloride gacl3  
1370 BBr3 Boron tribromide bbr3  
1371 AlBr3 Aluminum Bromide albr3  
1372 ClO3 Chlorine trioxide clo3  
1373 ClO3- chlorate anion clo3-  
1374 BrO3- Bromate anion bro3-  
1375 CF3 Trifluoromethyl radical cf3  
1376 CF3- Trifluoromethyl anion cf3-  
1377 CF3+ Trifluoromethyl cation cf3+  
1378 CF2Cl difluorochloromethyl radical cf2cl  
1379 SiF3 Silicon trifluoride radical sif3  
1380 SiF3+ Silicon trifluoride cation sif3+  
1381 CFCl2 dichlorofluoromethyl radical cfcl2  
1382 CCl3 Trichloromethyl radical ccl3  
1383 CCl3- Trichloromethyl anion ccl3-  
1384 CCl3+ Trichloromethyl cation ccl3+  
1385 SiCl3 trichlorosilyl radical sicl3  
1386 SiCl3+ trichlorosilyl cation sicl3+  
1387 CBr3 tribromomethyl radical cbr3  
1388 FOOF Perfluoroperoxide foof  
1389 F2SO Thionyl Fluoride f2so  
1390 ClOOCl Dichlorine dioxide cloocl  
1391 FSSF Difluorodisulfane fssf  
1392 S2F2 Thio-thionyl fluoride s2f2  
1393 SOCl2 thionyl chloride socl2  
1394 SSCl2 Thiothionyl chloride sscl2  
1395 SeOCl2 selenium oxychloride seocl2  
1396 NF3 Nitrogen trifluoride nf3  
1397 NF3- Nitrogen trifluoride anion nf3-  
1398 NF3+ Nitrogen trifluoride cation nf3+  
1399 PF3 Phosphorus trifluoride pf3  
1400 NCl3 nitrogen trichloride ncl3  
1401 AsF3 Arsenic trifluoride asf3  
1402 PCl3 Phosphorus trichloride pcl3  
1403 SbF3 Antimony Trifluoride sbf3  
1404 AsCl3 Arsenous trichloride ascl3  
1405 SbCl3 Antimony Trichloride sbcl3  
1406 NBr3 Nitrogen Tribromide nbr3  
1407 PBr3 Phosphorus tribromide pbr3  
1408 AsBr3 Arsenic tribromide asbr3  
1409 NI3 Nitrogen triiodide ni3  
1410 PI3 Phosphorus triiodide pi3  
1411 ClSSCl Disulfur dichloride s2cl2  
1412 SF3 Sulfur trifluoride sf3  
1413 BrF3 Bromine trifluoride brf3  
1414 IF3 iodone trifluoride if3  
1415 HClO3 Chloric Acid hclo3  
1416 CHF3 Methane, trifluoro- chf3  
1417 CHF2Cl difluorochloromethane chf2cl  
1418 SiHF3 trifluorosilane sihf3  
1419 CHFCl2 fluorodichloromethane chfcl2  
1420 CDCl3 trichloromethane-d cdcl3  
1421 CHCl3 Chloroform chcl3  
1422 CHBrF2 Methane, bromodifluoro- chbrf2  
1423 SiHCl3 Trichlorosilane sihcl3  
1424 CHFClBr fluorochlorobromomethane chfclbr  
1425 CHBrCl2 Methane, bromodichloro- chbrcl2  
1426 CHF2I difluoroiodomethane chf2i  
1427 CHBr2F dibromofluoromethane chbr2f  
1428 CHFClI fluorochloroiodomethane chfcli  
1429 CHCl2I dichloroiodomethane chcl2i  
1430 CHClBr2 Methane, dibromochloro- chclbr2  
1431 CHBr3 bromoform chbr3  
1432 CHI3 Iodoform chi3  
1433 NF3H+ protonated nitrogen trifluoride nf3h+  
1434 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1435 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1436 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1437 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1438 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1439 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1440 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1441 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1442 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1443 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1444 C2H2Br2 1,1-dibromoethene c2h2br2  
1445 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1446 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1447 CH2FCHO Fluoroacetaldehyde ch2fcho  
1448 CH3COF Acetyl fluoride ch3cof  
1449 CH2ClCHO chloroacetaldehyde ch2clcho  
1450 CH3COCl Acetyl Chloride ch3cocl  
1451 C2H4F2 1,2-difluoroethane c2h4f2  
1452 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1453 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1454 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1455 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1456 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1457 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1458 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1459 CH2CFCH3 2-fluoropropene 2fpro  
1460 CH2CHCH2F Allyl Fluoride allylf  
1461 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1462 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1463 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1464 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1465 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1466 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1467 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1468 CH2FCH2CH3 1-Fluoropropane prf1  
1469 CH3CHFCH3 2-Fluoropropane prf2  
1470 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1471 CH3CHClCH3 Propane, 2-chloro- prcl2  
1472 CH3CH2CH2Br n-propyl bromide prbr  
1473 CH3CHBrCH3 i-propyl bromide iprbr  
1474 C3H9O+ trimethyl oxonium cation c3h9o+  
1475 B5H9 pentaborane9 b5h9  
1476 C5H4 pentatetraene ptrene  
1477 C5H5 cyclopentadienyl radical c5h5  
1478 C5H5- cylopentadienyl anion c5h5-  
1479 C5H6 1,3-Cyclopentadiene c542927  
1480 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1481 C5H6 3-Penten-1-yne, (E)- c2004695  
1482 C5H6 3-Penten-1-yne, (Z)- c1574409  
1483 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1484 C5H6 Cyclopropylacetylene c6746947  
1485 C5H6 Propellane propellane  
1486 C5H7 1,3-pentadienyl radical pdyl  
1487 C5H7 cyclopentenyl radical cpyl  
1488 C5H8 1,2-Butadiene, 3-methyl- c598254  
1489 C5H8 1,2-Pentadiene c591957  
1490 C5H8 1,3-Butadiene, 2-methyl- c78795  
1491 C5H8 1,3-Pentadiene, (E)- c2004708  
1492 C5H8 1,3-Pentadiene, (Z)- c1574410  
1493 C5H8 1,4-Pentadiene c591935  
1494 C5H8 1-pentyne a1pentyne  
1495 C5H8 2,3-Pentadiene c591968  
1496 C5H8 Bicyclo[1.1.1]pentane bcp  
1497 C5H8 Cyclobutane, methylene- c1120565  
1498 C5H8 Cyclopentene c142290  
1499 C5H8 Ethenylcyclopropane c693867  
1500 CH3CCCH2CH3 2-Pentyne 2pentyne  
1501 C5H10 1-Butene, 2-methyl- c563462  
1502 C5H10 2-Butene, 2-methyl- c513359  
1503 C5H10 2-Pentene, (E)- c646048  
1504 C5H10 2-Pentene, (Z)- c627203  
1505 C5H10 Cyclopentane c287923  
1506 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1507 CH2CHCH2CH2CH3 1-pentene pentene  
1508 C5H11 2-Methylbut-2-yl radical c4348350  
1509 C5H12 Butane, 2-methyl- buta2  
1510 C5H12 Pentane pentane  
1511 C5H12 Propane, 2,2-dimethyl- neopentane  
1512 Si(CH3)4 tetramethylsilane tms  
1513 N2O3 Dinitrogen trioxide n2o3  
1514 C3H2N2 Malononitrile c3h2n2  
1515 CH2N4 1H-Tetrazole 1htz  
1516 C3H3N2 imidazolyl radical im  
1517 C3H3N2- imidizolyl anion im-  
1518 C2H3N3 1H-1,2,4-Triazole c288880  
1519 C4H4N pyrrolide radical c4h4n  
1520 C4H4N- pyrrolide anion c4h4n-  
1521 C3H4N2 1H-Imidazole 1himidaz  
1522 C3H4N2 1H-Pyrazole 1hpyraz  
1523 C3H4N2 2H-Imidazole imid2h  
1524 C3H4N2 4H-Imidazole imid4h  
1525 C4H5N (E)-2-Butenenitrile c627269  
1526 C4H5N (Z)-2-Butenenitrile c1190767  
1527 C4H5N 2H-pyrrole pyrrole2  
1528 C4H5N 3H-pyrrole pyrrole3  
1529 C4H5N Cyclopropanecarbonitrile c5500210  
1530 C4H5N Pyrrole pyrrole  
1531 CH2CHCH2CN Allylcyanide ch2chch2cn  
1532 C4H6N+ pyrrole, alpha-protonated appyr  
1533 C4H6N+ pyrrole, beta-protonated bppyr  
1534 C4H6N+ pyrrole, protonated ppyr  
1535 C3H6N2 3-Aminopropionitrile c151188  
1536 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1537 CH3CH2CH2CN Butanenitrile c109740  
1538 C5H8 Bicyclo[2.1.0]pentane c185944  
1539 C5H8 Spiropentane c157404  
1540 C4H9N Cyclobutylamine cbam  
1541 C4H9N Pyrrolidine pyrrolidine  
1542 C3H10N2 1,2-Diaminopropane diampr12  
1543 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1544 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1545 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1546 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1547 NH(C2H5)2 diethylamine dea  
1548 NC4H12+ tetramethyl ammonium cation nc4h12+  
1549 C3O2 Carbon suboxide c3o2  
1550 C3O2+ Carbon suboxide cation c3o2+  
1551 B2O3 diboron trioxide b2o3  
1552 MgCO3 Magnesium Carbonate mgco3  
1553 BeCO3 Beryllium Carbonate beco3  
1554 CaCO3 Calcium Carbonate caco3  
1555 ONONO Nitrosyl nitrite onono  
1556 PO4--- phosphate po4---  
1557 SO4-- sulfate so4--  
1558 HOONO2 peroxy nitric acid hoono2  
1559 HSO4- bisulfate anion hso4-  
1560 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1561 C3H2O2 Propiolic acid c3h2o2  
1562 CHOCOOH oxo acetic acid oaa  
1563 CHOOCHO diformyl ether choocho  
1564 H2SO4 Sulfuric acid h2so4  
1565 H2SeO4 Selenic acid h2seo4  
1566 C3H3NO Isoxazole isox  
1567 C3H3NO Oxazole oxazole  
1568 C3H3NS Thiazole thiazole  
1569 CH3C(O)OO acetyl peroxy radical ch3coo2  
1570 CH3NO3 Methyl nitrate ch3no3  
1571 H3PO4 Phosphoric Acid h3po4  
1572 C4H4O Furan furan  
1573 C4H4O+ Furan cation furan+  
1574 CH3COCCH 3-butyn-2-one c1423605  
1575 C4H4S Thiophene furans  
1576 C4H4Se selenophene c4h4se  
1577 C3H4O2 β–Propiolactone beta  
1578 C3H4O2 2-Propenoic acid propenoic2  
1579 C3H4O2 Methyl glyoxal megly  
1580 C3H4O2 propanedial propanedial  
1581 C3H4O2 propenalol propenalol  
1582 HOCHCCHOH allenediol aldiol  
1583 C2H4O3 1,2,3-trioxolane c2h4o3  
1584 C2H4O3 trioxolane124 triox  
1585 HOCH2COOH Hydroxyacetic acid hac  
1586 CH2CHCONH2 Acrylamide c79061  
1587 CH3OCH2CN Methoxyacetonitrile c1738369  
1588 CH5N3S Hydrazinecarbothioamide c79196  
1589 H2NCH2COOH Glycine glycine  
1590 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1591 C4H6O cis-2-butenal butenal2c  
1592 C4H6O Cyclobutanone cbutone  
1593 C4H6O Furan, 2,3-dihydro- furan23h  
1594 C4H6O Furan, 2,5-dihydro- furan25h  
1595 CH2CHOCHCH2 Vinyl ether vinylether  
1596 CHOCHCHCH3 2-Butenal butenal2  
1597 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1598 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1599 CH2CHSCHCH2 Divinyl sulfide divis  
1600 C2H6N2O Urea, methyl- c598505  
1601 C3H6O2 1,3-Dioxolane dioxolane  
1602 CH3CH2COOH Propanoic Acid propanoic  
1603 CH3COOCH3 methyl acetate aame  
1604 HCOOC2H5 Ethyl formate faee  
1605 C2H6O2S Dimethyl sulfone c67710  
1606 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1607 C3H7NO dimethylformamide dmf  
1608 C3H7NO Propanamide propanam  
1609 C2H3OC2H5 Ethene, ethoxy- c109922  
1610 C4H8O Cyclobutanol c2919235  
1611 C4H8O Furan, tetrahydro- thf  
1612 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1613 CH3COCH2CH3 2-Butanone buta2one  
1614 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1615 CHOCH2CH2CH3 Butanal butanal  
1616 C4H8S Thiophene, tetrahydro- tht  
1617 C3H8O2 1,3-Propanediol c504632  
1618 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1619 C3H8O2 Methane, dimethoxy- c109875  
1620 C3H8O2 Propylene glycol c57556  
1621 C3H8S2 1,3-Propanedithiol c109808  
1622 C4H10O 1-Butanol butanol1  
1623 C4H10O 1-Propanol, 2-methyl- c78831  
1624 C4H10O 2-Butanol, (.+/-.)- butanol2  
1625 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1626 C4H10O Ethoxy ethane etoet  
1627 C4H10O Methyl propyl ether meopr  
1628 C4H10O Propane, 2-methoxy- c598538  
1629 C4H10O+ 1-Butanol cation butanol1+  
1630 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1631 C2H5SC2H5 Diethyl sulfide etset  
1632 C4H9SH 1-Butanethiol bush  
1633 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1634 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1635 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1636 FNO3 Fluorine nitrate fno3  
1637 ClONO2 Chlorine nitrate clono2  
1638 BrONO2 Bromine nitrate brono2  
1639 TiCl4 Titanium tetrachloride ticl4  
1640 ClO4- perchlorate anion clo4-  
1641 BF4- tetrafluoroboron anion bf4-  
1642 ClFO3 Perchloryl fluoride clfo3  
1643 SO2F2 Sulfuryl fluoride so2f2  
1644 SO2Cl2 Sulfuryl chloride so2cl2  
1645 F3NO Nitrogen trifluoride oxide f3no  
1646 F3PO Phosphoryl fluoride pf3o  
1647 Cl3PO Phosphoryl chloride pcl3o  
1648 CF4 Carbon tetrafluoride cf4  
1649 CF3Cl Methane, chlorotrifluoro- cf3cl  
1650 SiF4 Silicon tetrafluoride sif4  
1651 CF2Cl2 difluorodichloromethane cf2cl2  
1652 TiF4 Titanium tetrafluoride tif4  
1653 CFCl3 Trichloromonofluoromethane cfcl3  
1654 CF3Br Bromotrifluoromethane cf3br  
1655 GeF4 Germanium tetrafluoride gef4  
1656 CCl4 Carbon tetrachloride ccl4  
1657 CCl4+ Carbon tetrachloride cation ccl4+  
1658 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1659 SiCl4 Silane, tetrachloro- sicl4  
1660 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1661 CF3I trifluoroiodomethane cf3i  
1662 CBrCl3 Methane, bromotrichloro- cbrcl3  
1663 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1664 GeCl4 Germanium Tetrachloride gecl4  
1665 CBr2ClF dibromochlorofluoromethane cbr2clf  
1666 CBr2Cl2 dibromodichloromethane cbr2cl2  
1667 CCl3I trichloroiodomethane ccl3i  
1668 CFBr3 fluorotribromomethane cfbr3  
1669 CFClBrI fluorochlorobromoiodomethane cfclbri  
1670 CBr3Cl tribromochloromethane cbr3cl  
1671 CF2I2 difluorodiiodomethane cf2i2  
1672 CBr4 Carbon tetrabromide cbr4  
1673 CCl2I2 dichlorodiiodomethane ccl2i2  
1674 SiBr4 Silicon tetrabromide sibr4  
1675 CBr3I tribromoiododmethane cbr3i  
1676 GeBr4 Germanium tetrabromide gebr4  
1677 CI4 tetraiodomethane ci4  
1678 SiI4 silicon tetraiodide sii4  
1679 ClOF3 Chlorine trifluoride oxide clof3  
1680 SF4 Sulfur tetrafluoride sf4  
1681 SeF4 Selenium tetrafluoride sef4  
1682 SCl4 Sulfur tetrachloride scl4  
1683 C2HF3 Trifluoroethylene c2hf3  
1684 C2HF3+ Trifluoroethylene cation c2hf3+  
1685 CHClCCl2 Trichloroethylene chclccl2  
1686 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1687 HClO4 perchloric acid hclo4  
1688 HSO3F Fluorosulfonic acid hso3f  
1689 CF3OH trifluoromethanol cf3oh  
1690 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1691 CHClCCHCl 1,3-dichloroallene chclcchcl  
1692 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1693 CHCl2CHO dichloroacetaldehyde chcl2cho  
1694 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1695 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1696 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1697 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1698 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1699 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1700 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1701 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1702 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1703 NH3BCl3 Amminetrichloroboron nh3bcl3  
1704 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1705 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1706 C3H5ClO Oxirane, (chloromethyl)- c106898  
1707 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1708 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1709 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1710 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1711 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1712 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1713 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1714 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1715 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1716 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1717 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1718 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1719 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1720 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1721 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1722 C4H9F 1-fluorobutane butaf1  
1723 CH3CHFCH2CH3 2-fluorobutane butaf2  
1724 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1725 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1726 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1727 XeF4 Xenon tetrafluoride xef4  
1728 C2H2N2O Furazan furazan  
1729 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1730 NH3BF3 Amminetrifluoroboron nh3bf3  
1731 C6H2 hexatriyne c6h2  
1732 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1733 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1734 C6H4 Benzyne benzyne  
1735 C6H5 phenyl phenyl  
1736 C6H5- phenyl anion phenyl-  
1737 C6H6 Prismane prismane  
1738 C6H6 1,2,4,5-Hexatetraene ht1245  
1739 C6H6 2,4-Hexadiyne hexadiyne  
1740 C6H6 3,4-Dimethylenecyclobutene cb34m  
1741 C6H6 Benzene benzene  
1742 C6H6 Benzvalene bv  
1743 C6H6 Dewar Benzene dewar  
1744 C6H6 Hexa-1,5-diene-3-yne hdy153  
1745 C6H6 Trimethylenecycopropane tmcp  
1746 C6H6+ Benzene cation c6h6+  
1747 C6H7+ benzene, protonated c6h7+  
1748 C6H8 (E)-hexa-1,3,5-triene c821078  
1749 C6H8 (E)-hexa-2,3,4-triene c59660650  
1750 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1751 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1752 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1753 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1754 C6H8 3-Methylenecyclopentene c930267  
1755 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1756 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1757 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1758 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1759 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1760 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1761 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1762 C6H10 1,5-Hexadiene c592427  
1763 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1764 C6H10 1-Hexyne hexyne1  
1765 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1766 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1767 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1768 C6H10 2-Hexyne c764352  
1769 C6H10 3-Hexyne hexyne3  
1770 C6H10 cyclohexene cyclohexene  
1771 C6H10 Cyclopentene, 1-methyl- c693890  
1772 C6H10 Cyclopentene, 3-methyl- c1120623  
1773 C6H10 Cyclopentene, 4-methyl- c1759815  
1774 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1775 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1776 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1777 C6H12 (E)-2-Hexene e2hexene  
1778 C6H12 (E)-3-methylpent-2-ene c616126  
1779 C6H12 (E)-hex-3-ene e3hexene  
1780 C6H12 (Z)-3-methylpent-2-ene c922623  
1781 C6H12 (Z)-hex-2-ene z2hexene  
1782 C6H12 (Z)-hex-3-ene z3hexene  
1783 C6H12 2,3-dimethylbut-1-ene c563780  
1784 C6H12 2,3-dimethyl-but-2-ene tmeet  
1785 C6H12 3-methylenepentane c760214  
1786 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1787 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1788 C6H12 Cyclohexane cyclohexane  
1789 C6H12 Cyclopentane, methyl- c96377  
1790 C6H12 Ethylcyclobutane c4806615  
1791 C6H12 hex-1-ene hexene1  
1792 C6H14 Butane, 2,2-dimethyl- buta22  
1793 C6H14 Butane, 2,3-dimethyl- buta23  
1794 C6H14 Hexane hexane  
1795 C6H14 Pentane, 2-methyl- penta2  
1796 C6H14 Pentane, 3-methyl- penta3  
1797 C4N2 2-Butynedinitrile c4n2  
1798 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1799 C4H2N2 Fumaronitrile c4h2n2  
1800 C2H2N4 sym-tetrazine ttz  
1801 C3H3N3 1,3,5-Triazine triazine135  
1802 CH3N5 5-Aminotetrazole c4418615  
1803 C4H4N2 1,3-Diazine diazine13  
1804 C4H4N2 Pyrazine pyrazine  
1805 C4H4N2 Pyridazine pyridazine  
1806 C4H4N2 Succinonitrile c110612  
1807 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1808 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1809 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1810 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1811 C5H5N E-2,4-pentadienenitrile bdcn  
1812 C5H5N Pyridine pyridine  
1813 B3N3H6 borazine borazine  
1814 C6H6 Fulvene fulvene  
1815 C5H6N+ Pyridinium c5h6n  
1816 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1817 C5H7N (E)-2-Pentenenitrile c26294984  
1818 C5H7N (E)-3-Pentenenitrile c16529661  
1819 C5H7N (Z)-2-Pentenenitrile c25899507  
1820 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1821 C5H7N Cyclobutanecarbonitrile c4426113  
1822 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1823 C5H9N Butanenitrile, 2-methyl- c18936179  
1824 C5H9N Pentanenitrile c110598  
1825 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1826 C6H10 Bicyclo[3.1.0]hexane c285585  
1827 C5H11N Cyclopentanamine cypentam  
1828 C5H11N Piperidine piper  
1829 C4H12N2 1,2-Butanediamine c4426486  
1830 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1831 Li2CO3 Lithium Carbonate li2co3  
1832 Na2CO3 Sodium Carbonate na2co3  
1833 C2O4-- oxalate anion c2o4  
1834 MgSO4 Magnesium Sulfate mgso4  
1835 N2O4 Dinitrogen tetroxide n2o4  
1836 C3H2O3 vinylene carbonate vica  
1837 C2H2O4 Oxalic Acid oxalic  
1838 C2H3NO3 Oxamic acid oxamic  
1839 C4H4O2 2(5H)-Furanone furanone  
1840 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1841 C2H4N2O2 Oxalamide oxalamide  
1842 C2H4N2S2 Ethanedithioamide c79403  
1843 C2H4CO3 Ethylene carbonate etco3  
1844 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1845 C3H4S3 1,3-Dithiolane-2-thione c822388  
1846 C2H4O4 Formic acid dimer fadimer  
1847 C4H5NO 3-Methylisoxazole isox3m  
1848 C4H5NO Isoxazole, 5-methyl- c5765446  
1849 C4H5NS 4-Methylthiazole c693958  
1850 C2H5NO3 Nitric acid, ethyl ester c625581  
1851 C5H6O 2H-Pyran pyran2  
1852 C5H6O 2-methylfuran furan2m  
1853 C5H6O 3-Methylfuran furan3m  
1854 C5H6O Pentadienal pdal  
1855 C5H6S Thiophene, 2-methyl- c554143  
1856 C5H6S Thiophene, 3-methyl- c616444  
1857 C4H6O2 γ–Butyrolactone c96480  
1858 C4H6O2 2,3-Butanedione c431038  
1859 C4H6O2 2-Propenoic acid, methyl ester c96333  
1860 C4H6O2 Crotonic Acid crot  
1861 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1862 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1863 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1864 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1865 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1866 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1867 C4H6OS Vinyl sulfoxide c1115157  
1868 CH6N4S Carbonothioic dihydrazide thiacarb  
1869 C2H6N2O2 (E)-Azodioxymethane c37765154  
1870 C2H6N2O2 Dimethylnitroamine c4164287  
1871 C3H6O3 1,3,5-Trioxane trioxane  
1872 C3H6S3 1,3,5-Trithiane c3h6s3  
1873 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1874 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1875 C4H7NO 2-Pyrrolidinone c616455  
1876 C4H7NO Ethoxyacetonitrile etoaccn  
1877 C4H7NO Methacrylamide c79390  
1878 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1879 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1880 C3H7ONO Propyl nitrite prono  
1881 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1882 CH3CH(NH2)COOH Alanine alanine  
1883 CH3NHCH2COOH Sarcosine sarcosine  
1884 NH2CH2CH2COOH β–alanine betaalanine  
1885 NH2COOC2H5 Urethane urethane  
1886 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1887 C5H8O Cyclopentanone c120923  
1888 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1889 C5H8O Methyl cyclopropyl ketone c765435  
1890 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1891 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1892 NH2CONHC2H5 Urea, ethyl- c625525  
1893 C4H8O2 1,3-Dioxane dioxan13  
1894 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1895 C4H8O2 1,4-Dioxane dioxan14  
1896 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1897 C4H8O2 Ethyl acetate c141786  
1898 C4H8OS s-Ethyl thioacetate c625605  
1899 C3H8O3 1,2,3-Propanetriol glycerin  
1900 C3H8O2S (Methylsulfonyl)ethane c594434  
1901 C4H9NO Butanamide c541355  
1902 C4H9NO Propanamide, 2-methyl- c563837  
1903 C5H10O 2-Butanone, 3-methyl- c563804  
1904 C5H10O 2H-Pyran, tetrahydro- c142687  
1905 C5H10O 2-methylbutyraldehyde 2meba  
1906 C5H10O 2-Pentanone mpk  
1907 C5H10O 3-Pentanone dek  
1908 C5H10O Cyclopentanol c96413  
1909 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1910 C5H10O Pentanal pal  
1911 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1912 C5H10S 3-Ethylthio-1-propene c5296628  
1913 C5H10S Cyclopentanethiol c1679078  
1914 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1915 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1916 C4H10O2 1,1-Dimethoxyethane c534156  
1917 C4H10O2 1,3-Butanediol budiol13  
1918 C4H10O2 1,4-Butanediol budiol14  
1919 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1920 C4H10OS Diethyl sulfoxide c70291  
1921 C4H10S2 1,4-Butanedithiol budisl14  
1922 C4H11NO Diethylhydroxylamine c3710847  
1923 C5H12O 1-Butanol, 2-methyl- c137326  
1924 C5H12O 1-Butanol, 3-methyl- c123513  
1925 C5H12O 1-Pentanol pentanol1  
1926 C5H12O 2-Butanol, 3-methyl- c598754  
1927 C5H12O 2-Pentanol peol2  
1928 C5H12O 3-Pentanol pentan3ol  
1929 C5H12O Butane, 1-methoxy- meobu  
1930 C5H12O Propane, 1-ethoxy- proet  
1931 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1932 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1933 C5H12S 1-Butanethiol, 3-methyl- c541311  
1934 C5H12S 1-Pentanethiol c110667  
1935 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1936 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1937 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1938 C5H12S Butane, 1-(methylthio)- c628295  
1939 C5H12S Ethyl propyl sulfide c4110503  
1940 C5H12S Propane, 2-(ethylthio)- c5145993  
1941 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1942 C4F2 difluorobutadiyne c4f2  
1943 ClCOClCO Oxalyl chloride oxcl  
1944 CF3CN Acetonitrile, trifluoro- cf3cn  
1945 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1946 B2F4 Diboron tetrafluoride b2f4  
1947 B2Cl4 Diboron tetrachloride b2cl4  
1948 C2F4 Tetrafluoroethylene c2f4  
1949 C2F4+ Tetrafluoroethylene cation c2f4+  
1950 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1951 CF2CCl2 difluorodichloroethylene cf2ccl2  
1952 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1953 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1954 C2FCl3 fluorotrichloroethene c2fcl3  
1955 C2Cl4 Tetrachloroethylene c2cl4  
1956 C2Br4 tetrabromoethene c2br4  
1957 CF3OF Trifluoromethylhypofluorite cf3of  
1958 SOF4 Sulfur tetrafluoride oxide sof4  
1959 PF5 Phosphorus pentafluoride pf5  
1960 AsF5 Arsenic pentafluoride asf5  
1961 PCl5 Phosphorus pentachloride pcl5  
1962 SF5 Sulfur pentafluoride sf5  
1963 SF5+ pentafluoro sulfur cation sf5+  
1964 SbCl5 Antimony pentachloride sbcl5  
1965 BrF5 bromine pentafluoride brf5  
1966 ClF5 chlorinepentafluoride clf5  
1967 IF5 pentafluoroiodine if5  
1968 CF3CHO trifluoroacetaldehyde cf3cho  
1969 CCl3CHO trichloroacetaldehyde ccl3cho  
1970 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1971 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1972 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1973 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1974 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1975 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1976 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1977 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1978 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1979 CF3COOH trifluoroacetic acid cf3cooh  
1980 C4H3ClO Furan, 2-chloro fur2cl  
1981 C4H3ClO Furan,3-chloro fur3cl  
1982 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1983 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1984 C4H8Cl2 1,4-Dichlorobutane c110565  
1985 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1986 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1987 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1988 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1989 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1990 C5H11Cl Pentane, 1-chloro- pencl1  
1991 C4H8O2 Butanoic acid bua  
1992 C6H5CH2 benzyl radical benzyl  
1993 C7H7 cycloheptatrienyl radical c7h7  
1994 C7H7+ cycloheptatrienyl cation c7h7+  
1995 C6H5CH3 toluene toluene  
1996 C7H8 cycloheptatriene cht  
1997 C7H8 Norbornadiene norbor  
1998 C7H8 Quadricyclane qucy  
1999 C7H12 Norbornane nor  
2000 C7H14 cycloheptane c7h14  
2001 C7H16 2-methylhexane 2mhex  
2002 C7H16 3-methylhexane hex3m  
2003 C7H16 heptane heptane  
2004 CH(CN)3 tricyanomethane mecn3  
2005 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2006 C6H7N 2-Methylpyridine mp  
2007 C6H5NH2 aniline aniline  
2008 C6H13N 2-Methylpiperidine pip2m  
2009 C6H13N cyclohexanamine cham  
2010 C6H15N triethylamine tea  
2011 N2O5 Dinitrogen pentoxide n2o5  
2012 C4H2O3 Maleic Anhydride malan  
2013 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2014 C5H4O2 furfural furfural  
2015 C6H5O phenoxy radical phenoxy  
2016 C5H5NO 2(1H)-Pyridinone c72762006  
2017 C5H5NO 2(3H)-Pyridinone c9000048  
2018 C5H5NO 2(5H)-Pyridinone c9000037  
2019 C5H5NO 2-Pyridinol c109104  
2020 C5H5NO 3(2H)-Pyridinone c9000004  
2021 C5H5NO 3(4H)-Pyridinone c9000026  
2022 C5H5NO 3(6H)-Pyridinone c9000015  
2023 C5H5NO 3-Pyridinol c109002  
2024 C5H5NO 4(1H)-Pryidinone c9000060  
2025 C5H5NO 4(3H)-Pryidinone c9000059  
2026 C5H5NO 4-Pyridinol c626642  
2027 C6H5OH phenol phenol  
2028 C6H6O 2,4-Cyclohexadienone c24599573  
2029 C6H6O 2,5-Cyclohexadienone c5664335  
2030 C6H5SH Benzenethiol phsh  
2031 HO2CCHNH2CH2OH Serine serine  
2032 C5H8O2 Acetylacetone acac  
2033 C4H8O2S Sulfolane sulfolane  
2034 C7H10 Norbornene norbornene  
2035 CH(C2H3)3 trivinyl methane tvm  
2036 C6H10O cyclohexanone chexo  
2037 C6H12O hexanal c6h12o  
2038 C6H12O Oxepane oxepane  
2039 C3H7OC3H7 di-n-propyl ether propr  
2040 F2CCCF2 tetrafluoroallene pfa  
2041 CF3COO- trifluoro acetate anion cf3coo-  
2042 CF3COF trifluoroacetyl fluoride cf3cof  
2043 CF3COCl trifluoroacetyl chloride cf3cocl  
2044 PF6 Hexafluorophosphate neutral pf6  
2045 PF6- Hexafluorophosphate ion pf6-  
2046 SF6 Sulfur Hexafluoride sf6  
2047 SeF6 Selenium hexafluoride sef6  
2048 SF5Cl sulfur chloropentafluoride sf5cl  
2049 CF3CHF2 pentafluoroethane cf3chf2  
2050 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2051 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2052 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2053 CCl3CHCl2 pentachloroethane ccl3chcl2  
2054 C6H5F Fluorobenzene bzf  
2055 C6H5Cl chlorobenzene bzcl  
2056 C6H5Br bromobenzene bzbr  
2057 C8H6 Calicene calicene  
2058 C6H5CCH phenylacetylene phac  
2059 C8H6 benzocyclobutadiene bcbd  
2060 C8H6 Pentalene pentalene  
2061 C6H5CHCH2 Styrene styrene  
2062 C8H8 cubane cubane  
2063 C8H8 cyclooctatetraene cot  
2064 C6H5CH2CH3 Ethylbenzene etbz  
2065 CH3C6H4CH3 meta-xylene mxylene  
2066 CH3C6H4CH3 paraxylene pxylene  
2067 C8H14 Bicyclo[2.2.2]octane bico222  
2068 C8H16 cyclooctane cyclooct  
2069 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2070 C8H18 Octane c8h18  
2071 C6H5CN phenyl cyanide phcn  
2072 C6H12N2 Triethylenediamine ted  
2073 C4O4-- squarate dianion c4o4--  
2074 S4N4 Tetrasulfur tetranitride s4n4  
2075 S8 Octasulfur s8  
2076 C6H4O2 parabenzoquinone pbq  
2077 C4H4N2O2 Uracil uracil  
2078 C6H5CHO benzaldehyde benzal  
2079 C6H5OCH3 Anisole anisole  
2080 C5H9NO2 Proline proline  
2081 C6H12O2 Methyl pivalate c598981  
2082 C6H12O2 Hexanoic acid hexa  
2083 C4F4 tetrafluorcyclobutadiene c4f4  
2084 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2085 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2086 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2087 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2088 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2089 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2090 C2F6 hexafluoroethane c2f6  
2091 C2Cl6 hexachloroethane c2cl6  
2092 IF7 Iodine heptafluoride if7  
2093 C6H4F2 metadifluorobenzene mdfb  
2094 C6H4F2 orthodifluorobenzene odfb  
2095 C6H4F2 1,4-difluorobenzene pdfb  
2096 C6H4Cl2 1,2-dichlorobenzene dcb12  
2097 C6H4Cl2 1,3-dichlorobenzene dcb13  
2098 C6H4Cl2 1,4-dichlorobenzene dcb14  
2099 C6H5NO nitrosobenzene bzno  
2100 C9H8 Indene indene  
2101 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2102 C9H12 n-propyl benzene prbz  
2103 C9H20 Nonane nonane  
2104 C(CN)4 tetracyanomethane c5n4  
2105 C5H4N4 purine purine  
2106 C8H7N Indole indole  
2107 C3H3N3O3 cyanuric acid cyanuric  
2108 C6H5NO2 Nitrobenzene c6h5no2  
2109 C6H5COOH benzoic acid benzo  
2110 CH3COC6H5 acetophenone acph  
2111 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2112 C3F6 hexafluoropropene c3f6  
2113 C6H3F3 Benzene trifluoride 123 bzf3a  
2114 C8H18O 1-Octanol octanol  
2115 C10H8 Azulene azu  
2116 C10H8 naphthalene naph  
2117 C10H10 bullvalene bullv  
2118 C10H16 adamantane adamantane  
2119 C6N4 Tetracyanoethylene tcne  
2120 C6N4- tetracyanoethylene anion tcne-  
2121 C10H22 Decane decane  
2122 C4F6 perfluorobutadiene c4f6  
2123 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2124 C3F8 perfluoropropane c3f8  
2125 Fe(CO)5 Iron pentacarbonyl ipc  
2126 Fe(C5H5)2 ferrocene fecp2  
2127 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2128 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2129 C12H8 Acenaphthylene acenaph  
2130 C12H8 biphenylene biph  
2131 C12H10 biphenyl biphenyl  
2132 C12H10 Heptalene heptalene  
2133 C6H12O6 Inositol inositol  
2134 C6F6 hexafluorobenzene c6f6  
2135 S2F10 disulphur decafluoride s2f10  
2136 C13H10 Fluorene fluorene  
2137 C14H10 Anthracene anth  
2138 C14H10 Phenanthrene phenanthrene  
2139 C14H14 Bibenzyl bibenzyl  
2140 C12H10N2 azobenzene azobenzene  
2141 C6H5COC6H5 benzophenone benzophenone  
2142 C16H10 Pyrene pyrene  
2143 C18H12 Tetracene tetracene  
2144 C19H16 Triphenylmethane tpm  
2145 C24H12 Coronene coronene  
2146 C60 Buckminsterfullerene c60