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 PBEPBE_cp_opt /6-311+G(3df,2pd)

Jump to calculations not yet done
count Species Name State Conformation
1 NH3 Ammonia 1A1C3v
2 H2O Water 1A1C2v
3 NH3NH3 Ammonia Dimer 1AgC2h
4 H2OH2O water dimer 1A'Cs
5 H2ONH3 Water Ammonia Dimer 1A'C1
6 H2OH2CO water formaldehyde dimer 1AC1
7 CH3OHH2O methanol water dimer 1A'C1
8 H2OCH3OH water methanol dimer 1AC1
9 H2OHCOOH Water formic acid dimer 1 1AC1
10 H2OHCOOH Water formic acid dimer 2 1AC1
11 HCOOHH2O Formic acid water dimer 1AC1
12 H2OCH3OCH3 water dimethylether dimer 1AC1
13 HCONH2CN2H4 formamide aminomethanimine dimer 1AC1

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 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 radical hs  
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 h2s  
232 H2S- Hydrogen sulfide anion h2s-  
233 H2S+ Hydrogen sulfide cation h2s+  
234 H2Se Hydrogen selenide h2se  
235 H2Se+ Hydrogen selenide cation h2se+  
236 H2Te Hydrogen Telluride h2te  
237 H3O+ hydronium cation h3o+  
238 H3S+ Sulfonium cation h3s+  
239 H3Se+ Hydrogen Selenide, protonated h3se+  
240 F Fluorine atom f  
241 F- Fluorine atom anion f-  
242 F+ Fluorine atom cation f+  
243 Cl Chlorine atom cl  
244 Cl- Chlorine atom anion cl-  
245 Cl+ Chlorine atom cation cl+  
246 Mn Manganese atom mn  
247 Br Bromine atom br  
248 Br- Bromine atom anion br-  
249 Br+ Bromine atom cation br+  
250 I Iodine atom iodine  
251 I- Iodine atom anion iodine-  
252 I+ Iodine atom cation iodine+  
253 DF Hydrofluoric acid-d df  
254 HF Hydrogen fluoride hf  
255 HF- hydrogen fluoride anion hf-  
256 HF+ hydrogen fluoride cation hf+  
257 DCl Hydrochloric acid-d dcl  
258 HCl Hydrogen chloride hcl  
259 HCl- hydrogen chloride anion hcl-  
260 HCl+ hydrogen chloride cation hcl+  
261 HBr hydrogen bromide hbr  
262 HBr- hydrogen bromide anion hbr-  
263 HBr+ hydrogen bromide cation hbr+  
264 HI Hydrogen iodide hi  
265 HI+ Hydrogen iodide cation hi+  
266 H2F+ dihydrogen fluoride cation h2f+  
267 H2Cl+ dihydrogen monochloride cation h2cl+  
268 H2Br+ protonated hydrogen bromide h2br+  
269 H2I+ Iodonium h2i+  
270 Ne Neon atom ne  
271 Ne- Neon atom anion ne-  
272 Ne+ Neon atom cation ne+  
273 Ar Argon atom ar  
274 Ar- Argon atom anion ar-  
275 Ar+ Argon atom cation ar+  
276 Fe Iron atom fe  
277 Kr Krypton atom kr  
278 Kr+ Krypton cation kr+  
279 Xe Xenon atom xe  
280 HeLi+ Helium Lithium cation heli+  
281 NeH neon hydrogen neh  
282 NeH+ neon hydrogen cation neh+  
283 ArH+ Argon hydride cation arh+  
284 KrH+ Protonated Krypton krh+  
285 XeH+ Xenon, protonated xeh+  
286 H2Ar H2 Ar dimer h2ar  
287 Co Cobalt atom cobalt  
288 Ni Nickel atom ni  
289 Li2 Lithium diatomic li2  
290 Li2- lithium diatomic anion li2-  
291 Li2+ lithium diatomic cation li2+  
292 NaLi lithium sodium lina  
293 NaLi- lithium sodium anion lina-  
294 NaLi+ lithium sodium cation lina+  
295 LiK Lithium Potassium lik  
296 Na2 Sodium diatomic na2  
297 Na2- sodium diatomic anion na2-  
298 Na2+ sodium diatomic cation na2+  
299 NaK Sodium Potassium nak  
300 NaK+ Sodium Potassium diatomic cation nak+  
301 K2 Potassium diatomic k2  
302 Cu2 Copper diatomic cu2  
303 LiBe Lithium Beryllium libe  
304 LiMg Lithium magnesium limg  
305 NaBe Sodium Beryllium nabe  
306 NaMg Sodium Magnesium namg  
307 Be2 Beryllium diatomic be2  
308 Be2- Beryllium diatomic anion be2-  
309 Be2+ Beryllium diatomic cation be2+  
310 BeMg Beryllium Magnesium bemg  
311 Mg2 Magnesium diatomic mg2  
312 Mg2- magnesium diatomic anion mg2-  
313 Mg2+ magnesium diatomic cation mg2+  
314 Ca2 Calcium diatomic ca2  
315 LiB Lithium boride lib  
316 LiAl Lithium Aluminum lial  
317 NaAl Sodium aluminum naal  
318 BeB Beryllium monoboride beb  
319 B2 Boron diatomic b2  
320 B2- Boron diatomic anion b2-  
321 B2+ Boron diatomic cation b2+  
322 BAl Boron Aluminum bal  
323 Al2 Aluminum diatomic al2  
324 Al2- aluminum diatomic anion al2-  
325 Al2+ aluminum diatomic cation al2+  
326 BGa Boron Gallium bga  
327 AlGa Aluminum Gallium alga  
328 Ga2 Gallium diatomic ga2  
329 HBBH Diborane(2) hbbh  
330 LiBH4 Lithium borohydride libh4  
331 B2H4 Diborane(4) D2d b2h4  
332 HBHHBH Diborane(4) C2V hbhhbh  
333 B2H6 Diborane b2h6  
334 B2H6+ Diborane cation b2h6  
335 Al2H6 dialane al2h6  
336 Ga2H6 digallane ga2h6  
337 LiC Lithium Carbide lic  
338 BeC Beryllium Carbide bec  
339 CaC Calcium monocarbide cac  
340 BC boron monocarbide bc  
341 BC- boron monocarbide anion bc-  
342 BC+ boron monocarbide cation bc+  
343 AlC Aluminum carbide alc  
344 BSi Boron silicide bsi  
345 C2 Carbon diatomic c2  
346 C2- carbon diatomic anion c2-  
347 C2+ carbon diatomic cation c2+  
348 SiC silicon monocarbide sic  
349 SiC- silicon monocarbide anion sic-  
350 SiC+ silicon monocarbide cation sic+  
351 Si2 Silicon diatomic si2  
352 Si2- silcon diatomic anion si2-  
353 Si2+ silcon diatomic cation si2+  
354 GeC Germanium monocarbide gec  
355 SiGe Silicon Germanium sige  
356 Ge2 Germanium diatomic ge2  
357 C2H Ethynyl radical c2h  
358 C2H- Ethynyl anion c2h-  
359 C2H+ Ethynyl cation c2h+  
360 ZnCH2 Zinc methylene znch2  
361 C2H2 Acetylene c2h2  
362 C2H2+ acetylene cation c2h2+  
363 CCH2 vinylidene vinylidene  
364 H2CC- vinylidene anion h2cc-  
365 HCCH- acetylene anion c2h2-  
366 Si2H2 disilyne si2h2  
367 CH3Li methyl lithium ch3li  
368 CuCH3 monomethyl copper cuch3  
369 ZnCH3 Zinc monomethyl znch3  
370 CH2BH methyleneborane ch2bh  
371 C2H3 vinyl c2h3  
372 C2H3- vinyl anion c2h3-  
373 C2H3+ vinyl cation c2h3+  
374 C2H4 Ethylene c2h4  
375 C2H4- Ethylene anion c2h4-  
376 C2H4+ Ethylene cation c2h4+  
377 CH3CH methylmethylene ch3ch  
378 CH2SiH2 silaethylene ch2sih2  
379 Si2H4 Disilene si2h4  
380 CH3BH2 methylborane ch3bh2  
381 C2H5 Ethyl radical c2h5  
382 C2H5- Ethyl anion c2h5-  
383 C2H5+ Ethyl cation c2h5+  
384 C2H6 Ethane c2h6  
385 C2H6+ ethane cation c2h6+  
386 CH3SiH3 methyl silane ch3sih3  
387 Si2H6 disilane si2h6  
388 GeH3CH3 methyl germane geh3ch3  
389 C2H7+ Ethane, protonated c2h7+  
390 LiN Lithium Nitride lin  
391 LiN+ Lithium Nitride cation lin+  
392 LiP Lithium monophosphide lip  
393 BeN Beryllium mononitride ben  
394 BeN- Beryllium mononitride anion ben-  
395 BeN+ Beryllium mononitride cation ben+  
396 MgN Magnesium Nitride mgn  
397 BN- boron nitride anion bn-  
398 AlN- aluminum mononitride anion aln-  
399 AlN+ aluminum mononitride cation aln+  
400 BP Boron monophosphide bp  
401 AlP Aluminum monophosphide alp  
402 GaN Gallium mononitride gan  
403 GaP Gallium monophosphide gap  
404 GaAs Gallium arsenide gaas  
405 BN boron nitride bn  
406 BN+ boron nitride cation bn+  
407 AlN Aluminum nitride aln  
408 CN Cyano radical cn  
409 CN- cyanide anion cn-  
410 CN+ Cyano cation cn+  
411 CP Carbon monophosphide cp  
412 CP- carbon monophosphide anion cp-  
413 CP+ carbon monophosphide cation cp+  
414 SiN Silicon nitride sin  
415 SiN- silicon mononitride anion sin-  
416 SiN+ silicon mononitride cation sin+  
417 SiP Silicon monophosphide sip  
418 SiP- Silicon monophosphide anion sip-  
419 SiP+ Silicon monophosphide cation sip+  
420 TiN Titanium mononitride tin  
421 N2 Nitrogen diatomic n2  
422 N2- nitrogen diatomic anion n2-  
423 N2+ diatomic nitrogen cation n2+  
424 PN Phosphorus mononitride pn  
425 PN- phosphorus nitride anion pn-  
426 PN+ phosphorus nitride cation pn+  
427 P2 Phosphorus diatomic p2  
428 P2- phosphorus diatomic anion p2-  
429 P2+ phosphorus diatomic cation p2+  
430 AsN Arsenic mononitride asn  
431 AsP Arsenic monophosphide asp  
432 SbN Antimony nitride sbn  
433 As2 Arsenic diatomic as2  
434 HNB hydrogen nitrogen boron hnb  
435 HNC hydrogen isocyanide hnc  
436 HCN Hydrogen cyanide hcn  
437 HCN- Hydrogen cyanide anion hcn-  
438 HCN+ hydrogen cyanide cation hcn+  
439 HNC+ hydrogen isocyanide cation hnc+  
440 HCP Phosphaethyne hcp  
441 HCP+ Phosphaethyne cation hcp+  
442 NNH Dinitrogen monohydride nnh  
443 NNH+ Dinitrogen monohydride cation nnh+  
444 HPO Hydrogen phosphorus oxide hpo  
445 HPO+ Hydrogen phosphorus oxide cation hpo+  
446 LiNH2 lithium amide linh2  
447 HBNH Boranimine hbnh  
448 CNH2 Aminomethylidyne radical cnh2  
449 CNH2+ N-protonated hydrogen isocyanide cnh2+  
450 H2CN Dihydrogen cyanide radical h2cn  
451 H2CN+ hydrocyanonium cation h2cn+  
452 HCNH methyleneazane hcnh  
453 HCNH+ N-protonated HCN hcnh+  
454 H2NN Isodiazene h2nn  
455 N2H2 (E)-diazene n2h2  
456 N2H2 (Z)-Diazene n2h2z  
457 N2H2+ trans-diazene cation n2h2+  
458 CH2NH Methanimine ch3n  
459 CH2NH+ Methanimine cation ch2nh+  
460 CHNH2 aminomethylene chnh2  
461 CHNH2+ Aminocarbene cation chnh2+  
462 CH2PH Phosphaethene ch3p  
463 BH2NH2 Boranamine bh2nh2  
464 CH2NH2+ methyleneamine cation ch2nh2+  
465 N2H4 Hydrazine n2h4  
466 N2H4+ hydrazine cation n2h4+  
467 P2H4 Diphosphine p2h4  
468 CH3NH2 methyl amine ch3nh2  
469 CH3NH2+ methyl amine cation ch3nh2+  
470 CH3PH2 Methyl phosphine ch3ph2  
471 SiH3NH2 Silane, amino sih3nh2  
472 N2H5+ protonated hydrazine n2h5+  
473 BH3PH3 borane phosphine bh3ph3  
474 BH3NH3 borane ammonia bh3nh3  
475 CH3NH3 methyl ammonium radical ch3nh3  
476 CH3NH3+ protonated methylamine ch3nh3+  
477 CH3PH3+ methyl phosphine, protonated ch3ph3+  
478 N2H7+ ammonia ammonium dimer n2h7+  
479 LiO lithium oxide lio  
480 LiO- lithium oxide anion lio-  
481 LiO+ lithium oxide cation lio+  
482 LiS Lithium monosulfide lis  
483 LiS+ Lithium sulfide cation lis+  
484 NaO sodium monoxide nao  
485 NaO- sodium oxide anion nao-  
486 NaO+ sodium oxide cation nao+  
487 KO Potassium monoxide ko  
488 KO+ Potassium monoxide cation ko+  
489 NaS Sodium sulfide nas  
490 CuO Copper Monoxide cuo  
491 LiSe Lithium monoselenide lise  
492 BeO beryllium oxide beo  
493 BeO- Beryllium monoxide anion beo-  
494 BeO+ Beryllium monoxide cation beo+  
495 BeS beryllium sulfide bes  
496 MgO magnesium oxide mgo  
497 MgO- magnesium oxide anion mgo-  
498 MgO+ magnesium oxide cation mgo+  
499 CaO Calcium monoxide cao  
500 MgS magnesium sulfide mgs  
501 MgS- magnesium sulfide anion mgs-  
502 MgS+ magnesium sulfide cation mgs+  
503 CaS Calcium sulfide cas  
504 ZnO zinc monoxide zno  
505 ZnS Zinc sulfide zns  
506 BeS- Beryllium monosulfide anion bes-  
507 BeS+ Beryllium monosulfide cation bes+  
508 BO boron monoxide bo  
509 BO- boron monoxide anion bo-  
510 AlO Aluminum monoxide alo  
511 AlO- Aluminum monoxide anion alo-  
512 AlO+ aluminum monoxide cation alo+  
513 BS boron sulfide bs  
514 BS- boron monosulfide anion bs-  
515 BS+ boron monosulfide cation bs+  
516 AlS Aluminum sulfide als  
517 AlS- aluminum monosulfide anion als-  
518 AlS+ aluminum monosulfide cation als+  
519 ScO Scandium monoxide sco  
520 GaO Gallium monoxide gao  
521 GaS Gallium monosulfide gas  
522 BO+ boron monoxide cation bo+  
523 CO Carbon monoxide co  
524 CO- carbon monoxide anion co-  
525 CO+ carbon monoxide cation co+  
526 CS carbon monosulfide cs  
527 CS- carbon monosulfide anion cs-  
528 CS+ carbon monosulfide cation cs+  
529 SiO Silicon monoxide sio  
530 SiO- silicon monoxide anion sio-  
531 SiO+ silicon monoxide cation sio+  
532 SiS silicon monosulfide sis  
533 SiS- silicon monosulfide anion sis-  
534 SiS+ silicon monosulfide cation sis+  
535 TiO Titanium monoxide tio  
536 CSe Carbon monoselenide cse  
537 CSe- Carbon monoselenide anion cse-  
538 CSe+ Carbon monoselenide cation cse+  
539 GeO Germanium monoxide geo  
540 GeO+ Germanium monoxide cation geo+  
541 GeS Germanium monosulfide ges  
542 SiSe Silicon Monoselenide sise  
543 SiSe+ Silicon Monoselenide cation sise+  
544 GeSe Germanium monoselenide gese  
545 NO Nitric oxide no  
546 NO- nitric oxide anion no-  
547 NO+ nitric oxide cation no+  
548 NS Mononitrogen monosulfide ns  
549 NS- nitrogen sulfide anion ns-  
550 NS+ nitrogen sulfide cation ns+  
551 PO Phosphorus monoxide po  
552 PO- phosphorus monoxide anion po-  
553 PO+ phosphorus monoxide cation po+  
554 PS phosphorus sulfide ps  
555 PS- phosphorus monosulfide anion ps-  
556 PS+ phosphorus monosulfide cation ps+  
557 VO Vanadium monoxide vo  
558 AsO Arsenic monoxide aso  
559 NSe Nitrogen monoselenide nse  
560 AsS Arsenic monosulfide ass  
561 PSe Phosphorus monoselenide pse  
562 AsSe Arsenic monoselenide asse  
563 O2 Oxygen diatomic o2  
564 O2- oxygen diatomic anion o2-  
565 O2-- dioxygen dianion o2--  
566 O2+ diatomic oxygen cation o2+  
567 SO Sulfur monoxide so  
568 SO- sulfur monoxide anion so-  
569 SO+ sulfur monoxide cation so+  
570 S2 Sulfur diatomic s2  
571 S2- sulfur diatomic anion s2-  
572 S2+ sulfur diatomic cation s2+  
573 SeO Selenium monoxide seo  
574 SeO- selenium monoxide anion seo-  
575 SeO+ selenium monoxide cation seo+  
576 SeS Selenium monosulfide ses  
577 SeS- selenium monosulfide anion ses-  
578 SeS+ selenium monosulfide cation ses+  
579 TeO Tellurium monoxide teo  
580 Se2 Selenium diatomic se2  
581 Se2- selenium diatomic anion se2-  
582 Se2+ selenium diatomic cation se2+  
583 Te2 Tellurium diatomic te2  
584 LiOH lithium hydroxide lioh  
585 NaOH sodium hydroxide naoh  
586 KOH Potassium hydroxide koh  
587 BeOH beryllium monohydroxide beoh  
588 MgOH magnesium hydroxide mgoh  
589 CaOH Calcium monohydroxide caoh  
590 HBO Boron hydride oxide hbo  
591 HBS hydrogen boron sulfide hbs  
592 COH Hydroxymethylidyne coh  
593 COH+ Carbon Monoxide, protonated coh+  
594 HCO Formyl radical hco  
595 HCO- formyl anion hco-  
596 HCO+ Formyl cation hco+  
597 HCS Thioformyl radical hcs  
598 HCS- Thioformyl anion hcs-  
599 HCS+ Thioformyl cation hcs+  
600 HNO Nitrosyl hydride hno  
601 HNO- Nitrosyl hydride anion hno-  
602 HNO+ Nitrosyl hydride cation hno+  
603 NOH Hydroxyimidogen noh  
604 NOH+ O-protonated nitric oxide noh+  
605 HNS Sulfur imide hns  
606 HNS- Sulfur imide anion hns-  
607 HO2 Hydroperoxy radical ho2  
608 HO2- Hydroperoxy anion ho2-  
609 HO2+ Hydroperoxy cation ho2+  
610 HSO+ Sulfur Monoxide, S-protonated HSO+  
611 SOH Sulfur Hydroxide soh  
612 SOH+ Sulfur Monoxide, protonated soh+  
613 HS2 Thiosulfeno radical hs2  
614 H2CO Formaldehyde h2co  
615 H2CO- formaldehyde anion h2co-  
616 H2CO+ formaldehyde cation h2co+  
617 HOCH hydroxycarbene hoch  
618 H2CS Thioformaldehyde h2cs  
619 H2CS- thioformaldehyde anion h2cs-  
620 H2CS+ thioformaldehyde cation h2cs+  
621 H2CSe Selenoformaldehyde h2cse  
622 H2NO nitroxide h2no  
623 H2O2 Hydrogen peroxide h2o2  
624 H2O2+ Hydrogen peroxide cation h2o2+  
625 H2OO water oxide h2oo  
626 HOSH hydrogen thioperoxide hosh  
627 H2S2 Disulfane h2s2  
628 H2S2+ hydrogen disulfide cation h2s2+  
629 H2Se2 hydrogen diselenide h2se2  
630 CH2OH Hydroxymethyl radical ch2oh  
631 CH2OH+ hydroxymethyl cation ch2oh+  
632 CH3O Methoxy radical ch3o  
633 CH3O- methoxy anion ch3o-  
634 CH3O+ Methoxy cation ch3o+  
635 CH3S thiomethoxy ch3s  
636 H2CSH+ Thioformaldehyde, protonated h2csh+  
637 NH2OH hydroxylamine nh2oh  
638 NH2OH+ Hydroxylamine cation nh2oh+  
639 NH3O Ammonia Oxide nh3o  
640 H2POH Phosphinous acid h2poh  
641 H3PO Phosphine oxide h3po  
642 NH2SH Thiohydroxylamine nh2sh  
643 NH3S sulfidoazane nh3s  
644 H3O2+ hydrogen peroxide, protonated h3o2+  
645 CH3OH Methyl alcohol ch3oh  
646 CH3OH- Methyl alcohol anion ch3oh-  
647 CH3OH+ Methyl alcohol cation ch3oh+  
648 CH3SH Methanethiol ch3sh  
649 CH3SH+ Methanethiol cation ch3sh+  
650 SiH3OH silanol sih3oh  
651 CH3SeH Methane selenol ch3seh  
652 NH2OH2+ protonated hydroxylamine nh2oh2+  
653 NH3OH+ N-protonated hydroxylamine nh3oh+  
654 CH3OH2+ Methanol, protonated ch3oh2+  
655 CH3SH2+ protonated methylsulfide ch3sh2+  
656 H5O2+ Dihydroxonium ion h5o2+  
657 LiF lithium fluoride lif  
658 LiCl lithium chloride licl  
659 LiCl- lithium chloride anion licl-  
660 LiCl+ lithium chloride cation licl+  
661 NaF sodium fluoride naf  
662 NaF- sodium fluoride anion naf-  
663 NaF+ sodium fluoride cation naf+  
664 KF Potassium Fluoride kf  
665 NaCl Sodium Chloride nacl  
666 NaCl- sodium chloride anion nacl-  
667 NaCl+ sodium chloride cation nacl+  
668 KCl Potassium Chloride kcl  
669 CuF Copper monofluoride cuf  
670 LiBr Lithium Bromide libr  
671 LiBr- lithium bromide anion libr-  
672 LiBr+ lithium bromide cation libr+  
673 CuCl Copper monochloride cucl  
674 NaBr Sodium Bromide nabr  
675 NaBr- sodium bromide anion nabr-  
676 NaBr+ sodium bromide cation nabr+  
677 KBr Potassium Bromide kbr  
678 LiI Lithium Iodide lii  
679 NaI Sodium Iodide nai  
680 KI Potassium Iodide ki  
681 LiF- lithium fluoride anion lif-  
682 LiF+ lithium fluoride cation lif+  
683 BeF Beryllium monofluoride bef  
684 BeF- Beryllium monofluoride anion bef-  
685 BeF+ Beryllium monofluoride cation bef+  
686 BeCl beryllium monochloride becl  
687 MgF Magnesium monofluoride mgf  
688 MgF- magnesium fluoride anion mgf-  
689 MgF+ magnesium fluoride cation mgf+  
690 CaF Calcium monofluoride caf  
691 MgCl magnesium monochloride mgcl  
692 MgCl- magnesium monochloride anion mgcl-  
693 MgCl+ magnesium monochloride cation mgcl+  
694 CaCl calcium monochloride cacl  
695 TiCl Titanium Monochloride ticl  
696 ZnF Zinc monofluoride znf  
697 ZnF- Zinc monofluoride anion znf-  
698 ZnF+ Zinc monofluoride cation znf+  
699 ZnCl Zinc monochloride zncl  
700 CaBr Calcium monobromide cabr  
701 BeCl- beryllium monochloride anion becl-  
702 BeCl+ beryllium monochloride cation becl+  
703 BF Boron monofluoride bf  
704 BF- Boron monofluoride anion bf-  
705 BF+ Boron monofluoride cation bf+  
706 AlF Aluminum monofluoride alf  
707 AlF- Aluminum monofluoride anion alf-  
708 AlF+ Aluminum monofluoride cation alf+  
709 BCl boron monochloride bcl  
710 BCl- boron monochloride anion bcl-  
711 BCl+ boron monochloride cation bcl+  
712 AlCl Aluminum monochloride alcl  
713 AlCl- aluminum monochloride anion alcl-  
714 AlCl+ aluminum monochloride cation alcl+  
715 ScF Scandium monofluoride scf  
716 BBr Boron monobromide bbr  
717 GaF Gallium monofluoride gaf  
718 GaF+ Gallium monofluoride cation gaf+  
719 AlBr Aluminum monobromide albr  
720 GaCl Gallium monochloride gacl  
721 GaCl+ Gallium monochloride cation gacl+  
722 AlI Aluminum monoiodide ali  
723 GaBr Gallium monobromide gabr  
724 CF Fluoromethylidyne cf  
725 CF- carbon monofluoride anion cf-  
726 CF+ carbon monofluoride cation cf+  
727 CCl carbon monochloride ccl  
728 CCl- carbon monochloride anion ccl-  
729 CCl+ carbon monochloride cation ccl+  
730 SiF silicon monofluoride sif  
731 SiF- silicon monofluoride anion sif-  
732 SiF+ silicon monofluoride cation sif+  
733 SiCl Clorosilylidyne sicl  
734 SiCl- silicon monochloride anion sicl-  
735 SiCl+ silicon monochloride cation sicl+  
736 CBr Carbon monobromide cbr  
737 GeF Germanium monofluoride gef  
738 GeF+ Germanium monofluoride cation gef+  
739 GeCl Germanium monochloride gecl  
740 GeCl+ Germanium monochloride cation gecl+  
741 SiBr Silicon monobromide sibr  
742 SiBr+ Silicon monobromide cation sibr+  
743 NF nitrogen fluoride nf  
744 NF- nitrogen monofluorine anion nf-  
745 NF+ nitrogen monofluoirde cation nf+  
746 NCl nitrogen monochloride ncl  
747 NCl- nitrogen monochloride anion ncl-  
748 NCl+ nitrogen monochloride cation ncl+  
749 PF phosphorus monofluoride pf  
750 PF- phosphorus monofluoride anion pf-  
751 PF+ phosphorus monofluoride cation pf+  
752 PCl phosphorus chloride pcl  
753 PCl- phosphorus monochloride anion pcl-  
754 PCl+ phosphorus monochloride cation pcl+  
755 AsF Arsenic monofluoride asf  
756 NBr nitrogen monobromide nbr  
757 AsCl Arsenic monochloride ascl  
758 PBr Phosphorus monobromide pbr  
759 SbF Antimony monofluoride sbf  
760 SbCl Antimony monochloride sbcl  
761 FO Oxygen monofluoride fo  
762 FO- flourine oxide anion fo-  
763 FO+ fluorine monoxide cation fo+  
764 ClO Monochlorine monoxide clo  
765 ClO- chlorine monoxide anion clo-  
766 ClO+ chlorine monoxide cation clo+  
767 SF Monosulfur monofluoride sf  
768 SF- sulfur monofluoride anion sf-  
769 SF+ sulfur monofluoride cation sf+  
770 SCl sulfur monochloride scl  
771 SCl- sulfur monochloride anion scl-  
772 SCl+ sulfur monochloride cation scl+  
773 BrO Bromine monoxide bro  
774 BrO- Bromine monoxide anion bro-  
775 BrO+ Bromine monoxide cation bro+  
776 SeF Selenium monofluoride sef  
777 SBr Sulfur monobromide radical sbr  
778 SBr+ Sulfur monobromide cation sbr+  
779 SeCl Selenium monochloride secl  
780 IO Iodine monoxide io  
781 SeBr Selenium monobromide sebr  
782 BrCl Bromine monochloride brcl  
783 F2 Fluorine diatomic f2  
784 F2- flourine diatomic anion f2-  
785 F2+ flourine diatomic cation f2+  
786 ClF Chlorine monofluoride clf  
787 ClF- clorine monofluoride anion clf-  
788 ClF+ clorine monofluoride cation clf+  
789 Cl2 Chlorine diatomic cl2  
790 Cl2- chlorine diatomic anion cl2-  
791 Cl2+ chlorine diatomic cation cl2+  
792 BrF Bromine monofluoride brf  
793 BrF- bromine fluoride anion brf-  
794 BrF+ bromine fluoride cation brf+  
795 BrCl- bromine chloride anion brcl-  
796 BrCl+ bromine chloride cation brcl+  
797 IF Iodine monofluoride if  
798 Br2 Bromine diatomic br2  
799 Br2- bromine diatomic anion br2-  
800 Br2+ bromine diatomic cation br2+  
801 ICl Iodine monochloride icl  
802 IBr Iodine monobromide ibr  
803 I2 Iodine diatomic i2  
804 I2+ Iodine diatomic cation i2+  
805 HCF Fluoromethylene hcf  
806 HCCl Chloromethylene hccl  
807 HSiF fluorosilylene hsif  
808 HSiCl Chlorosilylene hsicl  
809 HSiBr monobromosilylene hsibr  
810 CHBr bromomethylene chbr  
811 HOF Hypofluorous acid hfo  
812 DOCl Hypochlorous acid-d docl  
813 HOCl hypochlorous acid hocl  
814 HOCl+ hypochlorous acid cation hocl+  
815 HOBr Hypobromous acid hobr  
816 HOBr+ Hypobromous acid cation hobr+  
817 HOI Hypoiodous acid hoi  
818 F2H+ Fluorine, protonated f2h+  
819 FHF Hydrogen difluoride fhf  
820 FHF- Hydrogen difluoride anion fhf-  
821 ClFH+ Chlorine fluoride, F-protonated clfh+  
822 FClH+ Chlorine fluoride, Cl-protonated fclh+  
823 Cl2H+ Chlorine, protonated cl2h+  
824 CH2Br bromomethyl radical ch2br  
825 CH2F fluoromethyl radical ch2f  
826 CH2F+ fluoromethyl cation ch2f+  
827 CH2Cl+ chloromethyl cation ch2cl+  
828 CH2Cl chloromethyl radical ch2cl  
829 NH2F monofluoroamine nh2f  
830 NH2Cl chloramine nh2cl  
831 H2F2 Hydrogen fluoride dimer h2f2  
832 CH3F+ methyl fluoride cation ch3f+  
833 CD3F methylfluoride-d3 cd3f  
834 CH3F Methyl fluoride ch3f  
835 CD3Cl methyl chloride d3 cd3cl  
836 CH3Cl Methyl chloride ch3cl  
837 CH3Cl+ Methyl chloride cation ch3cl+  
838 SiH3F monofluorosilane sih3f  
839 SiH3Cl chlorosilane sih3cl  
840 CH3Br methyl bromide ch3br  
841 GeH3F monofluorogermane geh3f  
842 GeH3Cl monochlorogermane geh3cl  
843 SiH3Br bromosilane sih3br  
844 CH3I methyl iodide ch3i  
845 SiH3I Silyl Iodide sih3i  
846 NH3Cl+ protonated monochloroammonia nh3cl+  
847 CH3ClH+ methyl chloride, protonated ch3clh+  
848 NH4Cl Ammonium chloride nh4cl  
849 LiNe+ Lithium Neon cation line+  
850 Ne2 Neon diatomic ne2  
851 Ne2+ Neon diatomic cation ne2+  
852 Ar2 Argon diatomic ar2  
853 Ar2+ Argon diatomic cation ar2+  
854 Li3 Lithium trimer li3  
855 Li3+ Lithium trimer cation li3+  
856 C3 carbon trimer c3  
857 C3+ carbon trimer cation c3+  
858 SiC2 Silicon dicarbide sic2  
859 C3H3 cyclopropenyl radical cpr  
860 C3H3 Propargyl radical propargyl  
861 C3H3- Propargyl anion c3h3-  
862 C3H3+ cyclopropenyl cation cpr+  
863 C3H3+ Propargyl cation c3h3+  
864 C3H4 cyclopropene cprop  
865 CH2CCH2 allene allene  
866 CH3CCH propyne propyne  
867 C3H5 Allyl radical allyl  
868 C3H5+ Allyl cation allyl+  
869 CH3CHCH 1-propenyl radical ch3chch  
870 Zn(CH3)2 dimethyl zinc dmz  
871 C3H6 Cyclopropane c3h6  
872 CH2CHCH3 Propene propene  
873 C3H7 n-Propyl radical npropyl  
874 C3H7+ cyclopropane, protonated c3h7+  
875 CH3CHCH3 Isopropyl radical isopropyl  
876 CH3CHCH3+ Isopropyl cation prop2yl+  
877 C3H8 Propane propane  
878 SiH2(CH3)2 dimethylsilane dms  
879 Si3H8 trisilane si3h8  
880 LiCN lithium cyanide licn  
881 NaCN Sodium Cyanide nacn  
882 KCN Potassium cyanide kcn  
883 CuCN Copper cyanide cucn  
884 ZnCN Zinc monocyanide zncn  
885 ZnNC Zinc isocyanide znnc  
886 AlCN Aluminum monocyanide alcn  
887 AlNC Aluminum isocyanide alnc  
888 CN2 3H-Diazirin-3-ylidene cn2  
889 CNN Diazocarbene cnn  
890 NCN Cyanoimidogen ncn  
891 N3 azide radical n3  
892 N3- azide anion n3-  
893 N3+ azide cation n3+  
894 HCCN cyanomethylene hccn  
895 HCNN diazomethyl radical hcnn  
896 HN3 hydrogen azide hn3  
897 HN3+ Hydrazoic acid cation hn3+  
898 HNCNH diiminomethane hncnh  
899 CH2N2 diazirine ch2n2  
900 CH2NN diazomethane ch2nn  
901 NH2CN cyanamide cyanamide  
902 HNNNH+ 1,2-Triazadienium n2h3+  
903 NH2NN+ hydrazoic acid, protonated nh2nn+  
904 CH3CN Acetonitrile ch3cn  
905 CH3CN- acetonitrile anion ch3cn-  
906 CH3CN+ Acetonitrile cation ch3cn+  
907 CH3NC methyl isocyanide ch3nc  
908 CHNCH2 2H-Azirine c157164  
909 CHNHCH 1H-Azirine chnhch  
910 H2CCNH Ethenimine ch2cnh  
911 H2CNCH methyleneaminomethylene ch2nch  
912 HCCNH2 Ethynamine hccnh2  
913 HCNCH2+ 2H-Azirine cation hcnch2+  
914 HNCNH2+ diiminomethane, protonated hncnh2+  
915 NCNH3+ Cyanamide, protonated ncnh3+  
916 NH2CNH+ cyanamide, cn protonated nh2cnh+  
917 NH3CN+ cyanamide, amine protonated nh3cn+  
918 CH2CHNH vinylazine ch2chnh  
919 CH3CHN methylmethaniminyl radical ch3chn  
920 NHCHNH2 aminomethanimine cn2h4  
921 C2H5N Aziridine c2h5n  
922 CH2CHNH2 aminoethene aminoethene  
923 CH2NCH3 N-methylmethanimine nmm  
924 CH3CHNH ethanimine ethanimine  
925 NH2BHNH2 diaminoborane nh2bhnh2  
926 C2H5NH+ Protonated Aziridine c2h5nh+  
927 C2H6N+ aziridine, protonated c2h6n+  
928 NH2CH2NH2 diaminomethane nh2ch2nh2  
929 CH3CH2NH2 Ethylamine etam  
930 CH3NHCH3 Dimethylamine ch3nhch3  
931 CH3PHCH3 dimethylphosphine ch3phch3  
932 NH2CH2NH3+ diaminoethane, protonated pdam  
933 (CH3)2NH2+ dimethylammonium cation dmam  
934 CH3CH2NH3+ ethylamine, protonated pea  
935 Li2O dilithium oxide li2o  
936 Li2O+ dilithium oxide cation li2o+  
937 Li2S dilithium sulfide li2s  
938 Na2O disodium monoxide na2o  
939 Na2S Sodium sulfide na2s  
940 LiO2 Lithium dioxide lio2  
941 NaO2 Sodium superoxide nao2  
942 CCO Dicarbon monoxide cco  
943 CNO- fulminate cno-  
944 NCO isocyanato radical nco  
945 NCO- cyanate nco-  
946 SCN thiocyanato radical scn  
947 SCN- thiocyanide anion scn-  
948 BO2 Boron dioxide bo2  
949 BO2- Boron dioxide anion bo2-  
950 BO2+ Boron dioxide cation bo2+  
951 N2O Nitrous oxide n2o  
952 N2O- Nitrous oxide anion n2o-  
953 N2O+ Nitrous oxide cation n2o+  
954 NNS Nitrogen sulfide nns  
955 PPO Phosphorus oxide phosphide ppo  
956 CO2 Carbon dioxide co2  
957 CO2- Carbon dioxide anion co2-  
958 CO2+ Carbon dioxide cation co2+  
959 OCS Carbonyl sulfide cos  
960 OCS+ Carbonyl sulfide cation cos+  
961 SiO2 silicon dioxide sio2  
962 CS2 Carbon disulfide cs2  
963 CS2- Carbon disulfide anion cs2-  
964 CS2+ Carbon disulfide cation cs2+  
965 TiO2 Titanium dioxide tio2  
966 SiS2 Silicon disulfide sis2  
967 GeO2 Germanium dioxide geo2  
968 OCSe Carbonyl selenide ocse  
969 SCSe Carbon sulfide selenide scse  
970 GeS2 Germanium disulfide ges2  
971 CSe2 Carbon diselenide cse2  
972 SCTe Carbon sulfide Telluride scte  
973 NO2 Nitrogen dioxide no2  
974 NO2- Nitrogen dioxide anion no2-  
975 NO2+ Nitrogen dioxide cation no2+  
976 NSO sulfinyl amidogen NSO  
977 PO2 Phosphorus dioxide po2  
978 PO2- Phosphorus dioxide anion po2-  
979 PO2+ Phosphorus dioxide cation po2+  
980 SNO Nitrogen oxide sulfide sno  
981 AsO2 Aresenic dioxide aso2  
982 O3 Ozone o3  
983 O3- Ozone anion o3-  
984 O3+ Ozone cation o3+  
985 SO2 Sulfur dioxide so2  
986 SO2- Sulfur dioxide anion so2-  
987 SO2+ Sulfur dioxide cation so2+  
988 SSO Disulfur monoxide sso  
989 S3 Sulfur trimer s3  
990 S3- Sulfur trimer anion s3-  
991 S3+ Sulfur trimer cation s3+  
992 SeO2 Selenium dioxide seo2  
993 SeO2+ Selenium dioxide cation seo2+  
994 TeO2 Tellurium Dioxide teo2  
995 HCCO ketenyl radical ketenyl  
996 CS2H+ Carbon disulfide, protonated cs2h+  
997 HCNO fulminic acid hcno  
998 HNCO Isocyanic acid hnco  
999 HOCN cyanic acid hocn  
1000 HNCS Isothiocyanic acid hncs  
1001 HSCN thiocyanic acid hscn  
1002 HCO2- formate anion hco2-  
1003 HNNO nitrosoazane hnno  
1004 HNNO+ Nitrous oxide, N-protonated hnno+  
1005 NNOH+ Nitrous Oxide, O-protonated nnoh+  
1006 HCOO formate neutral radical hcoo  
1007 HOCO Hydrocarboxyl radical hoco  
1008 HOCO+ Hydrocarboxyl cation hoco+  
1009 HNO2 Nitrous acid hno2  
1010 HNO2+ nitrous acid cation hno2+  
1011 O3H+ protonated ozone o3h+  
1012 SO2H+ protonated sulfur dioxide so2h+  
1013 C2H2O Oxirene oxirene  
1014 CH2CO Ketene ch2co  
1015 CH2CO+ Ketene cation ch2co+  
1016 HCCOH ethynol hccoh  
1017 CH2CS Thioketene ch2cs  
1018 Be(OH)2 Beryllium hydroxide beo2h2  
1019 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1020 NH2NO Nitrosamide nh2no  
1021 CH2O2 Dioxirane diox  
1022 H2COO Dioxymethyl radical h2coo  
1023 H2COO+ dioxymethyl cation h2coo+  
1024 HCOOH Formic acid ch2o2  
1025 H2O3 Hydrogen trioxide h2o3  
1026 HSSSH trisulfane hsssh  
1027 NaOCH3 Sodium methoxide naoch3  
1028 CH2BOH hydroxy(methylene)borane ch2boh  
1029 BH3CO Borane carbonyl bh3co  
1030 CH3BO Borane, methyloxo- ch3bo  
1031 CH2CHO Vinyloxy radical ch2cho  
1032 CH2COH+ ketene, protonated ch2coh+  
1033 CH3CO Acetyl radical ch3co  
1034 CH3CO- Acetyl anion ch3co-  
1035 CH3CO+ acetyl cation ch3co+  
1036 CH2NOH formaldoxime ch2noh  
1037 CH3NO nitrosomethane ch3no  
1038 CHONH2 formamide formamide  
1039 CNOH3 1,2-oxaziridine cnoh3  
1040 HOCHNH hydroxymethylimine hochnh  
1041 CHSNH2 thioformamide chsnh2  
1042 NHCHSH Methanimidothioic acid nhchsh  
1043 CH2OOH CH2OOH radical ch2ooh  
1044 CH3OO methylperoxy radical ch3oo  
1045 CH3OO- methylperoxy anion ch3oo-  
1046 CH3OO+ methylperoxy cation ch3oo+  
1047 C2H4O Ethylene oxide c2h4o  
1048 C2H4O+ ethylene oxide cation c2h4o+  
1049 CH2CHOH ethenol ch2choh  
1050 CH3CHO Acetaldehyde ch3cho  
1051 CH3CHO+ acetaldehyde cation ch3cho+  
1052 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1053 C2H4S Thiirane thiirane  
1054 CH2CHSH Ethenethiol ch2chsh  
1055 CH3CHS Thioacetaldehyde ch3chs  
1056 H2CONH2+ protonated formamide h2conh2+  
1057 NH2CHOH+ Formamide, O-protonated nh2choh+  
1058 NH3CHO+ Formamide, N-Protonated nh3cho+  
1059 CH2(OH)2 methanediol ch2o2h2  
1060 CH3OOH Methyl peroxide ch3ooh  
1061 CH3SSH Hydrogen methyl disulfide ch3ssh  
1062 HSCH2SH Methanedithiol ch4s2  
1063 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1064 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1065 CH3CH2O Ethoxy radical ethoxy  
1066 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1067 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1068 CH3OCH2 methoxymethyl radical ch3och2  
1069 NH2CH2OH aminomethanol nh2ch2oh  
1070 CH3CH2OH Ethanol etoh  
1071 CH3OCH3 Dimethyl ether meome  
1072 CH3CH2SH ethanethiol etsh  
1073 CH3SCH3 Dimethyl sulfide mesme  
1074 CH3SCH3+ dimethyl sulfide cation mesme+  
1075 CH3SeCH3 dimethylselenide dmse  
1076 CuF2 Copper difluoride cuf2  
1077 ZnF2 Zinc difluoride znf2  
1078 CNF iso cyanogen fluoride cnf  
1079 FCN Cyanogen fluoride fcn  
1080 ClCN chlorocyanogen clcn  
1081 BrCN Cyanogen bromide brcn  
1082 ICN Cyanogen iodide icn  
1083 FBO Boron monofluoride monoxide fbo  
1084 BeF2 Beryllium fluoride bef2  
1085 MgF2 Magnesium fluoride mgf2  
1086 BeCl2 Beryllium chloride becl2  
1087 MgCl2 Magnesium dichloride mgcl2  
1088 CaCl2 Calcium Chloride cacl2  
1089 ZnCl2 Zinc dichloride zncl2  
1090 BeBr2 Beryllium bromide bebr2  
1091 CaBr2 Calcium dibromide cabr2  
1092 CaF2 Calcium difluoride caf2  
1093 FCO Carbonyl fluoride fco  
1094 FCO+ Carbonyl fluoride cation fco+  
1095 ClCO carbonyl monochloride clco  
1096 BF2 Boron difluoride radical bf2  
1097 FNO Nitrosyl fluoride fno  
1098 ClNO Nitrosyl chloride clno  
1099 FNS Thionitrosyl fluoride fns  
1100 FSN Thiazyl fluoride fsn  
1101 OPCl Phosphorus oxychloride opcl  
1102 BrNO Nitrosyl bromide brno  
1103 INO Nitrosyl iodide ino  
1104 CF2 Difluoromethylene cf2  
1105 CF2- Difluoromethylene anion cf2-  
1106 CF2+ Difluoromethylene cation cf2+  
1107 CFCl chlorofluoromethylene cfcl  
1108 SiF2 Silicon difluoride sif2  
1109 SiF2+ Silicon difluoride cation sif2+  
1110 CCl2 dichloromethylene ccl2  
1111 CCl2- dichloromethylene anion ccl2-  
1112 CCl2+ dichloromethylene cation ccl2+  
1113 SiCl2 Dichlorosilylene sicl2  
1114 GeF2 Germanium difluoride gef2  
1115 GeCl2 Germanium dichloride gecl2  
1116 CBr2 dibromomethylene cbr2  
1117 FOO Dioxygen monofluoride radical foo  
1118 FOO+ Fluorine dioxide cation foo+  
1119 ClOO chloroperoxy radical cloo  
1120 ClOO+ chloroperoxy cation cloo+  
1121 OClO Chlorine dioxide oclo  
1122 OClO- Chlorine dioxide anion oclo-  
1123 OClO+ Chlorine dioxide cation oclo+  
1124 ClSO Sulfur chloride oxide clso  
1125 ClS2 Sulfur chloride cls2  
1126 BrOO Bromine dioxide broo  
1127 OBrO Bromine dioxide radical obro  
1128 NF2 Difluoroamino radical nf2  
1129 NF2+ Difluoroamino cation nf2+  
1130 PF2 Phosphorus difluoride pf2  
1131 PF2+ Phosphorus difluoride cation pf2+  
1132 FClO chlorosyl fluoride fclo  
1133 F2O Difluorine monoxide f2o  
1134 ClOF Chlorine hypofluorite clof  
1135 SF2 sulfur difluoride sf2  
1136 SF2- sulfur difluoride anion sf2-  
1137 SF2+ sulfur difluoride cation sf2+  
1138 Cl2O Dichlorine monoxide cl2o  
1139 SCl2 Sulfur dichloride scl2  
1140 SeF2 Selenium difluoride sef2  
1141 BrOCl Bromine hypochlorite brocl  
1142 SeCl2 Selenium Dichloride secl2  
1143 SBr2 Sulfur dibromide sbr2  
1144 SeBr2 Selenium dibromide sebr2  
1145 BrOBr Bromine oxide brobr  
1146 F3- trifluoride anion f3-  
1147 Cl3- trichloride anion cl3-  
1148 Br3- tribromide anion br3-  
1149 I3- triiodide i3-  
1150 SFCl Sulfur chloride fluoride sfcl  
1151 HCCF Fluoroacetylene hccf  
1152 HCCF+ fluoroacetylene cation hccf+  
1153 HCCCl Chloroacetylene hcccl  
1154 HCCBr bromoacetylene hccbr  
1155 HFCO formyl fluoride hfco  
1156 HFCO+ formyl fluoride cation hfco+  
1157 COHCl Formyl chloride cohcl  
1158 COHBr Formyl bromide cohbr  
1159 BHF2 Difluoroborane bhf2  
1160 BHCl2 Borane, dichloro- bhcl2  
1161 CHCl2 dichloromethyl radical chcl2  
1162 CHF2 difluoromethyl radical chf2  
1163 CHF2+ difluoromethyl cation chf2+  
1164 CHFCl Chlorofluoromethyl radical chfcl  
1165 CHFCl+ Chlorofluoromethyl cation chfcl+  
1166 CHCl2+ dichloromethyl cation chcl2+  
1167 CHBr2 dibromomethyl radical chbr2  
1168 HOClO Chlorous acid hoclo  
1169 NHF2 difluoramine nhf2  
1170 NHCl2 dichloroamine nhcl2  
1171 CH2F2 Methane, difluoro- ch2f2  
1172 CH2FCl fluorochloromethane ch2fcl  
1173 SiH2F2 difluorosilane sih2f2  
1174 CH2Cl2 Methylene chloride ch2cl2  
1175 CH2BrF Methane, bromofluoro- ch2fbr  
1176 CH2BrCl Methane, bromochloro- ch2clbr  
1177 CH2FI fluoroiodomethane ch2fi  
1178 CH2Br2 dibromomethane ch2br2  
1179 CH2ClI chloroiodomethane ch2cli  
1180 CH2BrI bromoiodomethane ch2bri  
1181 CH2I2 Diiodomethane ch2i2  
1182 SiH2Cl2 dichlorosilane sih2cl2  
1183 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1184 CH2CHF Ethene, fluoro- ch2chf  
1185 CH2CHF+ fluoroethene cation ch2chf+  
1186 C2H3Cl Ethene, chloro- ch2chcl  
1187 C2H3Br vinyl bromide c2h3br  
1188 C2H3I Vinyl iodide c2h3i  
1189 CH2FOH fluoromethanol ch2foh  
1190 CH3OCl methyl hypochlorite ch3ocl  
1191 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1192 CHClCH3 1-chloroethyl radical chclch3  
1193 C2H5F fluoroethane c2h5f  
1194 CH3CH2Cl Ethyl chloride c2h5cl  
1195 CH3SiFH2 fluoromethylsilane ch3sifh2  
1196 C2H5Br Ethyl bromide etbr  
1197 C2H5I Ethyl iodide c2h5i  
1198 KrF2 Krypton difluoride krf2  
1199 XeF2 Xenon difluoride xef2  
1200 B4H10 Tetraborane(10) b4h10  
1201 C4 Carbon tetramer c4  
1202 C4+ Carbon tetramer cation c4+  
1203 C4H2 Diacetylene c4h2  
1204 C4H2+ diacetlyene cation c4h2+  
1205 C2H3CCH 1-Buten-3-yne c2h3cch  
1206 C4H4 cyclobutadiene cbd  
1207 C4H4 Tetrahedrane c4h4  
1208 H2CCCCH2 Butatriene h2cccch2  
1209 C4H6 1-Methylcyclopropene c3100047  
1210 C4H6 Cyclobutene c822355  
1211 C4H6 Methylenecyclopropane c6142730  
1212 CH2CCHCH3 1,2-Butadiene butad12  
1213 CH2CHCHCH2 1,3-Butadiene c106990  
1214 CH3CCCH3 2-Butyne c503173  
1215 CHCCH2CH3 1-Butyne c107006  
1216 CH3CHCHCH2 methylallyl radical c4h7  
1217 C4H8 methylcyclopropane mcp  
1218 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1219 CH2CHCH2CH3 1-Butene bute1  
1220 CH3CHCHCH3 2-Butene, (E)- bute2e  
1221 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1222 B(CH3)3 trimethylborane bme3  
1223 Al(CH3)3 trimethyl aluminum tma  
1224 C(CH3)3 Tert-butyl radical tbutyl  
1225 CH2CH(CH3)2 Isobutyl radical isobutyl  
1226 CH3CHCH2CH3 2-Butyl radical butyl2  
1227 CH3CH(CH3)CH3 Isobutane isobutane  
1228 CH3CH2CH2CH3 Butane butane  
1229 SiH(CH3)3 trimethylsilane trimsi  
1230 Li3N trilithium nitride li3n  
1231 C2N2 Cyanogen c2n2  
1232 C2N2+ Cyanogen cation c2n2+  
1233 P4 Phosphorus tetramer p4  
1234 As4 Arsenic tetramer as4  
1235 HCCCN Cyanoacetylene hcccn  
1236 HCCCN+ Cyanoacetylene cation hcccn+  
1237 H2CNCN cyanamide, methylene ch2ncn  
1238 HNCCNH Ethenediimine hnccnh  
1239 C3H3N acrylonitrile ch2chcn  
1240 C3H3N+ acrylonitrile cation ch2chcn+  
1241 CH3N3 methyl azide ch3n3  
1242 NH2CCNH2 Diaminoacetylene daa  
1243 NH2CH2CN Aminoacetonitrile aan  
1244 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1245 C2H5CN ethyl cyanide c2h5cn  
1246 CH5N3 Guanidine guanidine  
1247 C4H6 Bicyclo[1.1.0]butane c157335  
1248 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1249 H2NCHCHNH2 diaminoethylene dae  
1250 CH6N3+ guanidinium ch6n3+  
1251 C3H7N Cyclopropylamine cpram  
1252 CH7N3 triaminomethane tam  
1253 C3H7N Azetidine azet  
1254 C4H8 cyclobutane cbutane  
1255 C2H8N2 Ethylenediamine ethdiam  
1256 CH3NHNHCH3 dimethyl hydrazine dmh  
1257 CH3CH(NH2)CH3 2-Propanamine pram2  
1258 N(CH3)3 Trimethylamine trimeam  
1259 NH2CH2CH2CH3 1-Propanamine pram1  
1260 P(CH3)3 trimethylphosphine tmp  
1261 N(SiH3)3 trisilylamine tsa  
1262 As(CH3)3 trimethyl arsine tmas  
1263 (CH3)3NH+ protonated trimethyl amine ptma  
1264 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1265 Li2O2 dilithium dioxide li2o2  
1266 Na2O2 disodium dioxide na2o2  
1267 K2O2 dipotassium dioxide k2o2  
1268 C3O Tricarbon monoxide c3o  
1269 B2O2 Diboron dioxide b2o2  
1270 ONNO NO dimer onno  
1271 S2N2 Disulfur dinitride s2n2  
1272 CO3 Carbon trioxide co3  
1273 CO3-- carbonate co3--  
1274 CS3-- Carbonotrithioate cs3--  
1275 NO3 Nitrogen trioxide no3  
1276 NO3- nitrate anion no3-  
1277 NO3+ nitrogen trioxide cation no3+  
1278 SO3 Sulfur trioxide so3  
1279 SO3- Sulfur trioxide anion so3-  
1280 SO3-- Sulfate dianion so3--  
1281 SO3+ Sulfur trioxide cation so3+  
1282 SeO3 selenium trioxide seo3  
1283 S4 Sulfur tetramer s4  
1284 TeO3 Tellurium trioxide teo3  
1285 HCO3- bicarbonate anion hco3-  
1286 HNO3 Nitric acid hno3  
1287 HSO3 Hydroxysulfonyl radical hso3  
1288 NH2NO2 nitramide nh2no2  
1289 C2H2CO cyclopropenone c2h2co  
1290 C3H2O Propadienal c3h2o  
1291 HCCCHO 2-propynal hcccho  
1292 C2H2O2 Ethanedial c2h2o2  
1293 C2H2O2+ Ethanedial cation c2h2o2+  
1294 H2CO3 Carbonic acid h2co3  
1295 H2CS3 thiocarbonic acid h2cs3  
1296 H2NO3+ Nitric Acid, Protonated h2no3+  
1297 H2SO3 Sulfurous acid h2so3  
1298 C2H3NO Nitrosoethylene c2h3no  
1299 CH3NCO methylisocyante ch3nco  
1300 HOCH2CN cyanomethanol hoch2cn  
1301 CH3COO- acetate anion ch3coo-  
1302 CH3NO2 Methane, nitro- ch3no2  
1303 CH3ONO Methyl nitrite ch3ono  
1304 NH2COOH Carbamic acid nh2cooh  
1305 H3BO3 Boric acid h3bo3  
1306 H3AlO3 Aluminum hydroxide h3alo3  
1307 H3CO3+ carbonic acid, protonated h3co3+  
1308 C3H4O 2-Propyn-1-ol c107197  
1309 C3H4O allenol c9000071  
1310 C3H4O Cyclopropanone cpone  
1311 C3H4O Methylketene c6004440  
1312 CH2CHCHO Acrolein c3h4o  
1313 NH2CONH2 Urea urea  
1314 NH2CONH2+ Urea cation urea+  
1315 NH2CSNH2 Thiourea thiourea  
1316 C2H4O2 1,3-dioxetane c2h4o2  
1317 CH3COOH Acetic acid ch3cooh  
1318 CH3OCHO methyl formate ch3ocho  
1319 CHOCH2OH hydroxy acetaldehyde haa  
1320 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1321 NH3COOH+ protonated Carbamic acid nh3cooh+  
1322 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1323 CH3COCH2 Acetonyl radical ch3coch2  
1324 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1325 CH3C(OH)=NH Ethaninidic acid eia  
1326 CH3CHNOH Acetaldoxime acetaldoxime  
1327 CH3CONH2 Acetamide acetamide  
1328 HCONHCH3 N-methylformamide nmfa  
1329 CH3CSNH2 Ethanethioamide ch3csnh2  
1330 CH5N2O+ urea, N-protonated ch4n2o+  
1331 H2NCOHNH2+ urea, protonated ureah+  
1332 C2H5OO ethylperoxy radical c2h5oo  
1333 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1334 C3H5OH Cyclopropanol cproh  
1335 C3H6O 2-Propen-1-ol c107186  
1336 C3H6O Acetone enol enol  
1337 C3H6O Oxetane oxetane  
1338 C3H6O Propylene oxide prox  
1339 CH3CH2CHO Propanal propanal  
1340 CH3COCH3 Acetone acetone  
1341 CH3COCH3- acetone anion ch3coch3-  
1342 C3H6S Thietane thietane  
1343 C3H6S Thiirane, methyl- methiirane  
1344 CH3CSCH3 Thioacetone ch3csch3  
1345 C2H6O2 1,2-Ethanediol ethdiol  
1346 CH3OOCH3 dimethylperoxide dmp  
1347 CH3SOCH3 Dimethyl sulfoxide dmso  
1348 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1349 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1350 CH3COHCH3+ acetone, protonated acetoneh+  
1351 HOCH2CH2NH2 monoethanolamine mea  
1352 C3H7OH 1-Propanol proh  
1353 CH3CHOHCH3 Isopropyl alcohol isoproh  
1354 CH3OC2H5 Ethane, methoxy- etome  
1355 C3H7SH 1-Propanethiol prsh  
1356 CH3CHSHCH3 2-Propanethiol isoprsh  
1357 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1358 Li2F2 Lithium fluoride dimer li2f2  
1359 Na2F2 Sodium Fluoride Dimer na2f2  
1360 Na2Cl2 Disodium dichloride na2cl2  
1361 C2F2 difluoroacetylene c2f2  
1362 C2Cl2 dichloroacetylene c2cl2  
1363 C2Cl2+ dichloroacetylene cation c2cl2+  
1364 FNO2 Nitryl fluoride fno2  
1365 FONO Nitrosyl hypofluorite fono  
1366 ClNO2 Nitryl chloride clno2  
1367 ClONO chlorine nitrite clono  
1368 BrONO Bromine nitrite brono  
1369 N2F2 (Z)-Difluorodiazene n2f2_z  
1370 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1371 CF2O Carbonic difluoride f2co  
1372 CF2O+ Carbonic difluoride cation f2co+  
1373 COFCl Carbonic chloride fluoride cofcl  
1374 CCl2O Phosgene cl2co  
1375 Cl2CS Thiophosgene cl2cs  
1376 COBr2 Carbonic dibromide cobr2  
1377 BF3 Borane, trifluoro- bf3  
1378 BF3- Borane, trifluoro- anion bf3-  
1379 BF3+ boron trifluoride cation bf3+  
1380 AlF3 Aluminum trifluoride alf3  
1381 BClF2 Chlorodifluoroborane bclf2  
1382 AlF2Cl Aluminum chloride difluoride alclf2  
1383 ScF3 Scandium trifluoride ScF3  
1384 AlFCl2 Aluminum dichloride fluoride alcl2f  
1385 BCl3 Borane, trichloro- bcl3  
1386 BCl3+ Boron Trichloride cation bcl3+  
1387 GaF3 Gallium trifluoride gaf3  
1388 AlCl3 Aluminum trichloride alcl3  
1389 GaCl3 Gallium trichloride gacl3  
1390 BBr3 Boron tribromide bbr3  
1391 AlBr3 Aluminum Bromide albr3  
1392 ClO3 Chlorine trioxide clo3  
1393 ClO3- chlorate anion clo3-  
1394 BrO3- Bromate anion bro3-  
1395 CF3 Trifluoromethyl radical cf3  
1396 CF3- Trifluoromethyl anion cf3-  
1397 CF3+ Trifluoromethyl cation cf3+  
1398 CF2Cl difluorochloromethyl radical cf2cl  
1399 SiF3 Silicon trifluoride radical sif3  
1400 SiF3+ Silicon trifluoride cation sif3+  
1401 CFCl2 dichlorofluoromethyl radical cfcl2  
1402 CCl3 Trichloromethyl radical ccl3  
1403 CCl3- Trichloromethyl anion ccl3-  
1404 CCl3+ Trichloromethyl cation ccl3+  
1405 SiCl3 trichlorosilyl radical sicl3  
1406 SiCl3+ trichlorosilyl cation sicl3+  
1407 CBr3 tribromomethyl radical cbr3  
1408 FOOF Perfluoroperoxide foof  
1409 ClO2F Chloryl fluoride clo2f  
1410 F2SO Thionyl Fluoride f2so  
1411 ClOOCl Dichlorine dioxide cloocl  
1412 FSSF Difluorodisulfane fssf  
1413 S2F2 Thio-thionyl fluoride s2f2  
1414 SOCl2 thionyl chloride socl2  
1415 SSCl2 Thiothionyl chloride sscl2  
1416 SeOCl2 selenium oxychloride seocl2  
1417 NF3 Nitrogen trifluoride nf3  
1418 NF3- Nitrogen trifluoride anion nf3-  
1419 NF3+ Nitrogen trifluoride cation nf3+  
1420 PF3 Phosphorus trifluoride pf3  
1421 NCl3 nitrogen trichloride ncl3  
1422 AsF3 Arsenic trifluoride asf3  
1423 PCl3 Phosphorus trichloride pcl3  
1424 SbF3 Antimony Trifluoride sbf3  
1425 AsCl3 Arsenous trichloride ascl3  
1426 SbCl3 Antimony Trichloride sbcl3  
1427 NBr3 Nitrogen Tribromide nbr3  
1428 PBr3 Phosphorus tribromide pbr3  
1429 AsBr3 Arsenic tribromide asbr3  
1430 NI3 Nitrogen triiodide ni3  
1431 PI3 Phosphorus triiodide pi3  
1432 ClSSCl Disulfur dichloride s2cl2  
1433 SF3 Sulfur trifluoride sf3  
1434 ClF3 Chlorine trifluoride clf3  
1435 BrF3 Bromine trifluoride brf3  
1436 IF3 iodone trifluoride if3  
1437 HClO3 Chloric Acid hclo3  
1438 CHF3 Methane, trifluoro- chf3  
1439 CHF2Cl difluorochloromethane chf2cl  
1440 SiHF3 trifluorosilane sihf3  
1441 CHFCl2 fluorodichloromethane chfcl2  
1442 CDCl3 trichloromethane-d cdcl3  
1443 CHCl3 Chloroform chcl3  
1444 CHBrF2 Methane, bromodifluoro- chbrf2  
1445 SiHCl3 Trichlorosilane sihcl3  
1446 CHFClBr fluorochlorobromomethane chfclbr  
1447 CHBrCl2 Methane, bromodichloro- chbrcl2  
1448 CHF2I difluoroiodomethane chf2i  
1449 CHBr2F dibromofluoromethane chbr2f  
1450 CHFClI fluorochloroiodomethane chfcli  
1451 CHCl2I dichloroiodomethane chcl2i  
1452 CHClBr2 Methane, dibromochloro- chclbr2  
1453 CHBr3 bromoform chbr3  
1454 CHI3 Iodoform chi3  
1455 NF3H+ protonated nitrogen trifluoride nf3h+  
1456 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1457 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1458 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1459 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1460 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1461 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1462 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1463 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1464 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1465 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1466 C2H2Br2 1,1-dibromoethene c2h2br2  
1467 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1468 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1469 CH2FCHO Fluoroacetaldehyde ch2fcho  
1470 CH3COF Acetyl fluoride ch3cof  
1471 CH2ClCHO chloroacetaldehyde ch2clcho  
1472 CH3COCl Acetyl Chloride ch3cocl  
1473 C2H4F2 1,2-difluoroethane c2h4f2  
1474 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1475 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1476 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1477 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1478 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1479 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1480 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1481 CH2CFCH3 2-fluoropropene 2fpro  
1482 CH2CHCH2F Allyl Fluoride allylf  
1483 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1484 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1485 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1486 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1487 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1488 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1489 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1490 CH2FCH2CH3 1-Fluoropropane prf1  
1491 CH3CHFCH3 2-Fluoropropane prf2  
1492 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1493 CH3CHClCH3 Propane, 2-chloro- prcl2  
1494 CH3CH2CH2Br n-propyl bromide prbr  
1495 CH3CHBrCH3 i-propyl bromide iprbr  
1496 C3H9O+ trimethyl oxonium cation c3h9o+  
1497 B5H9 pentaborane9 b5h9  
1498 C5H4 pentatetraene ptrene  
1499 C5H5 cyclopentadienyl radical c5h5  
1500 C5H5- cylopentadienyl anion c5h5-  
1501 C5H6 1,3-Cyclopentadiene c542927  
1502 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1503 C5H6 3-Penten-1-yne, (E)- c2004695  
1504 C5H6 3-Penten-1-yne, (Z)- c1574409  
1505 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1506 C5H6 Cyclopropylacetylene c6746947  
1507 C5H6 Propellane propellane  
1508 C5H7 1,3-pentadienyl radical pdyl  
1509 C5H7 cyclopentenyl radical cpyl  
1510 C5H8 1,2-Butadiene, 3-methyl- c598254  
1511 C5H8 1,2-Pentadiene c591957  
1512 C5H8 1,3-Butadiene, 2-methyl- c78795  
1513 C5H8 1,3-Pentadiene, (E)- c2004708  
1514 C5H8 1,3-Pentadiene, (Z)- c1574410  
1515 C5H8 1,4-Pentadiene c591935  
1516 C5H8 1-pentyne a1pentyne  
1517 C5H8 2,3-Pentadiene c591968  
1518 C5H8 Bicyclo[1.1.1]pentane bcp  
1519 C5H8 Cyclobutane, methylene- c1120565  
1520 C5H8 Cyclopentene c142290  
1521 C5H8 Ethenylcyclopropane c693867  
1522 CH3CCCH2CH3 2-Pentyne 2pentyne  
1523 C5H10 1-Butene, 2-methyl- c563462  
1524 C5H10 2-Butene, 2-methyl- c513359  
1525 C5H10 2-Pentene, (E)- c646048  
1526 C5H10 2-Pentene, (Z)- c627203  
1527 C5H10 Cyclopentane c287923  
1528 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1529 CH2CHCH2CH2CH3 1-pentene pentene  
1530 C5H11 2-Methylbut-2-yl radical c4348350  
1531 C5H12 Butane, 2-methyl- buta2  
1532 C5H12 Pentane pentane  
1533 C5H12 Propane, 2,2-dimethyl- neopentane  
1534 Si(CH3)4 tetramethylsilane tms  
1535 N2O3 Dinitrogen trioxide n2o3  
1536 C3H2N2 Malononitrile c3h2n2  
1537 CH2N4 1H-Tetrazole 1htz  
1538 C3H3N2 imidazolyl radical im  
1539 C3H3N2- imidizolyl anion im-  
1540 C2H3N3 1H-1,2,4-Triazole c288880  
1541 C4H4N pyrrolide radical c4h4n  
1542 C4H4N- pyrrolide anion c4h4n-  
1543 C3H4N2 1H-Imidazole 1himidaz  
1544 C3H4N2 1H-Pyrazole 1hpyraz  
1545 C3H4N2 2H-Imidazole imid2h  
1546 C3H4N2 4H-Imidazole imid4h  
1547 C4H5N (E)-2-Butenenitrile c627269  
1548 C4H5N (Z)-2-Butenenitrile c1190767  
1549 C4H5N 2H-pyrrole pyrrole2  
1550 C4H5N 3H-pyrrole pyrrole3  
1551 C4H5N Cyclopropanecarbonitrile c5500210  
1552 C4H5N Pyrrole pyrrole  
1553 CH2CHCH2CN Allylcyanide ch2chch2cn  
1554 C4H6N+ pyrrole, alpha-protonated appyr  
1555 C4H6N+ pyrrole, beta-protonated bppyr  
1556 C4H6N+ pyrrole, protonated ppyr  
1557 C3H6N2 3-Aminopropionitrile c151188  
1558 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1559 CH3CH2CH2CN Butanenitrile c109740  
1560 C5H8 Bicyclo[2.1.0]pentane c185944  
1561 C5H8 Spiropentane c157404  
1562 C4H9N Cyclobutylamine cbam  
1563 C4H9N Pyrrolidine pyrrolidine  
1564 C3H10N2 1,2-Diaminopropane diampr12  
1565 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1566 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1567 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1568 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1569 NH(C2H5)2 diethylamine dea  
1570 NC4H12+ tetramethyl ammonium cation nc4h12+  
1571 C3O2 Carbon suboxide c3o2  
1572 C3O2+ Carbon suboxide cation c3o2+  
1573 B2O3 diboron trioxide b2o3  
1574 MgCO3 Magnesium Carbonate mgco3  
1575 BeCO3 Beryllium Carbonate beco3  
1576 CaCO3 Calcium Carbonate caco3  
1577 ONONO Nitrosyl nitrite onono  
1578 PO4--- phosphate po4---  
1579 SO4-- sulfate so4--  
1580 HOONO2 peroxy nitric acid hoono2  
1581 HSO4- bisulfate anion hso4-  
1582 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1583 C3H2O2 Propiolic acid c3h2o2  
1584 CHOCOOH oxo acetic acid oaa  
1585 CHOOCHO diformyl ether choocho  
1586 H2SO4 Sulfuric acid h2so4  
1587 H2SeO4 Selenic acid h2seo4  
1588 C3H3NO Isoxazole isox  
1589 C3H3NO Oxazole oxazole  
1590 C3H3NS Thiazole thiazole  
1591 CH3C(O)OO acetyl peroxy radical ch3coo2  
1592 CH3NO3 Methyl nitrate ch3no3  
1593 H3PO4 Phosphoric Acid h3po4  
1594 C4H4O Furan furan  
1595 C4H4O+ Furan cation furan+  
1596 CH3COCCH 3-butyn-2-one c1423605  
1597 C4H4S Thiophene furans  
1598 C4H4Se selenophene c4h4se  
1599 C3H4O2 β–Propiolactone beta  
1600 C3H4O2 2-Propenoic acid propenoic2  
1601 C3H4O2 Methyl glyoxal megly  
1602 C3H4O2 propanedial propanedial  
1603 C3H4O2 propenalol propenalol  
1604 HOCHCCHOH allenediol aldiol  
1605 C2H4O3 1,2,3-trioxolane c2h4o3  
1606 C2H4O3 trioxolane124 triox  
1607 HOCH2COOH Hydroxyacetic acid hac  
1608 CH2CHCONH2 Acrylamide c79061  
1609 CH3OCH2CN Methoxyacetonitrile c1738369  
1610 CH5N3S Hydrazinecarbothioamide c79196  
1611 H2NCH2COOH Glycine glycine  
1612 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1613 C4H6O cis-2-butenal butenal2c  
1614 C4H6O Cyclobutanone cbutone  
1615 C4H6O Furan, 2,3-dihydro- furan23h  
1616 C4H6O Furan, 2,5-dihydro- furan25h  
1617 CH2CHOCHCH2 Vinyl ether vinylether  
1618 CHOCHCHCH3 2-Butenal butenal2  
1619 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1620 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1621 CH2CHSCHCH2 Divinyl sulfide divis  
1622 C2H6N2O Urea, methyl- c598505  
1623 C3H6O2 1,3-Dioxolane dioxolane  
1624 CH3CH2COOH Propanoic Acid propanoic  
1625 CH3COOCH3 methyl acetate aame  
1626 HCOOC2H5 Ethyl formate faee  
1627 C2H6O2S Dimethyl sulfone c67710  
1628 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1629 C3H7NO dimethylformamide dmf  
1630 C3H7NO Propanamide propanam  
1631 C2H3OC2H5 Ethene, ethoxy- c109922  
1632 C4H8O Cyclobutanol c2919235  
1633 C4H8O Furan, tetrahydro- thf  
1634 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1635 CH3COCH2CH3 2-Butanone buta2one  
1636 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1637 CHOCH2CH2CH3 Butanal butanal  
1638 C4H8S Thiophene, tetrahydro- tht  
1639 C3H8O2 1,3-Propanediol c504632  
1640 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1641 C3H8O2 Methane, dimethoxy- c109875  
1642 C3H8O2 Propylene glycol c57556  
1643 C3H8S2 1,3-Propanedithiol c109808  
1644 C4H10O 1-Butanol butanol1  
1645 C4H10O 1-Propanol, 2-methyl- c78831  
1646 C4H10O 2-Butanol, (.+/-.)- butanol2  
1647 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1648 C4H10O Ethoxy ethane etoet  
1649 C4H10O Methyl propyl ether meopr  
1650 C4H10O Propane, 2-methoxy- c598538  
1651 C4H10O+ 1-Butanol cation butanol1+  
1652 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1653 C2H5SC2H5 Diethyl sulfide etset  
1654 C4H9SH 1-Butanethiol bush  
1655 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1656 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1657 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1658 FNO3 Fluorine nitrate fno3  
1659 ClONO2 Chlorine nitrate clono2  
1660 BrONO2 Bromine nitrate brono2  
1661 TiCl4 Titanium tetrachloride ticl4  
1662 ClO4- perchlorate anion clo4-  
1663 BF4- tetrafluoroboron anion bf4-  
1664 ClFO3 Perchloryl fluoride clfo3  
1665 SO2F2 Sulfuryl fluoride so2f2  
1666 SO2Cl2 Sulfuryl chloride so2cl2  
1667 F3NO Nitrogen trifluoride oxide f3no  
1668 F3PO Phosphoryl fluoride pf3o  
1669 Cl3PO Phosphoryl chloride pcl3o  
1670 CF4 Carbon tetrafluoride cf4  
1671 CF3Cl Methane, chlorotrifluoro- cf3cl  
1672 SiF4 Silicon tetrafluoride sif4  
1673 CF2Cl2 difluorodichloromethane cf2cl2  
1674 TiF4 Titanium tetrafluoride tif4  
1675 CFCl3 Trichloromonofluoromethane cfcl3  
1676 CF3Br Bromotrifluoromethane cf3br  
1677 GeF4 Germanium tetrafluoride gef4  
1678 CCl4 Carbon tetrachloride ccl4  
1679 CCl4+ Carbon tetrachloride cation ccl4+  
1680 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1681 SiCl4 Silane, tetrachloro- sicl4  
1682 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1683 CF3I trifluoroiodomethane cf3i  
1684 CBrCl3 Methane, bromotrichloro- cbrcl3  
1685 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1686 GeCl4 Germanium Tetrachloride gecl4  
1687 CBr2ClF dibromochlorofluoromethane cbr2clf  
1688 CBr2Cl2 dibromodichloromethane cbr2cl2  
1689 CCl3I trichloroiodomethane ccl3i  
1690 CFBr3 fluorotribromomethane cfbr3  
1691 CFClBrI fluorochlorobromoiodomethane cfclbri  
1692 CBr3Cl tribromochloromethane cbr3cl  
1693 CF2I2 difluorodiiodomethane cf2i2  
1694 CBr4 Carbon tetrabromide cbr4  
1695 CCl2I2 dichlorodiiodomethane ccl2i2  
1696 SiBr4 Silicon tetrabromide sibr4  
1697 CBr3I tribromoiododmethane cbr3i  
1698 GeBr4 Germanium tetrabromide gebr4  
1699 CI4 tetraiodomethane ci4  
1700 SiI4 silicon tetraiodide sii4  
1701 ClOF3 Chlorine trifluoride oxide clof3  
1702 SF4 Sulfur tetrafluoride sf4  
1703 SeF4 Selenium tetrafluoride sef4  
1704 SCl4 Sulfur tetrachloride scl4  
1705 C2HF3 Trifluoroethylene c2hf3  
1706 C2HF3+ Trifluoroethylene cation c2hf3+  
1707 CHClCCl2 Trichloroethylene chclccl2  
1708 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1709 HClO4 perchloric acid hclo4  
1710 HSO3F Fluorosulfonic acid hso3f  
1711 CF3OH trifluoromethanol cf3oh  
1712 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1713 CHClCCHCl 1,3-dichloroallene chclcchcl  
1714 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1715 CHCl2CHO dichloroacetaldehyde chcl2cho  
1716 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1717 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1718 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1719 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1720 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1721 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1722 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1723 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1724 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1725 NH3BCl3 Amminetrichloroboron nh3bcl3  
1726 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1727 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1728 C3H5ClO Oxirane, (chloromethyl)- c106898  
1729 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1730 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1731 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1732 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1733 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1734 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1735 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1736 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1737 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1738 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1739 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1740 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1741 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1742 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1743 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1744 C4H9F 1-fluorobutane butaf1  
1745 CH3CHFCH2CH3 2-fluorobutane butaf2  
1746 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1747 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1748 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1749 XeF4 Xenon tetrafluoride xef4  
1750 C2H2N2O Furazan furazan  
1751 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1752 NH3BF3 Amminetrifluoroboron nh3bf3  
1753 C6H2 hexatriyne c6h2  
1754 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1755 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1756 C6H4 Benzyne benzyne  
1757 C6H5 phenyl phenyl  
1758 C6H5- phenyl anion phenyl-  
1759 C6H6 Prismane prismane  
1760 C6H6 1,2,4,5-Hexatetraene ht1245  
1761 C6H6 2,4-Hexadiyne hexadiyne  
1762 C6H6 3,4-Dimethylenecyclobutene cb34m  
1763 C6H6 Benzene benzene  
1764 C6H6 Benzvalene bv  
1765 C6H6 Dewar Benzene dewar  
1766 C6H6 Hexa-1,5-diene-3-yne hdy153  
1767 C6H6 Trimethylenecycopropane tmcp  
1768 C6H6+ Benzene cation c6h6+  
1769 C6H7+ benzene, protonated c6h7+  
1770 C6H8 (E)-hexa-1,3,5-triene c821078  
1771 C6H8 (E)-hexa-2,3,4-triene c59660650  
1772 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1773 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1774 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1775 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1776 C6H8 3-Methylenecyclopentene c930267  
1777 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1778 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1779 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1780 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1781 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1782 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1783 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1784 C6H10 1,5-Hexadiene c592427  
1785 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1786 C6H10 1-Hexyne hexyne1  
1787 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1788 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1789 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1790 C6H10 2-Hexyne c764352  
1791 C6H10 3-Hexyne hexyne3  
1792 C6H10 cyclohexene cyclohexene  
1793 C6H10 Cyclopentene, 1-methyl- c693890  
1794 C6H10 Cyclopentene, 3-methyl- c1120623  
1795 C6H10 Cyclopentene, 4-methyl- c1759815  
1796 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1797 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1798 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1799 C6H12 (E)-2-Hexene e2hexene  
1800 C6H12 (E)-3-methylpent-2-ene c616126  
1801 C6H12 (E)-hex-3-ene e3hexene  
1802 C6H12 (Z)-3-methylpent-2-ene c922623  
1803 C6H12 (Z)-hex-2-ene z2hexene  
1804 C6H12 (Z)-hex-3-ene z3hexene  
1805 C6H12 2,3-dimethylbut-1-ene c563780  
1806 C6H12 2,3-dimethyl-but-2-ene tmeet  
1807 C6H12 3-methylenepentane c760214  
1808 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1809 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1810 C6H12 Cyclohexane cyclohexane  
1811 C6H12 Cyclopentane, methyl- c96377  
1812 C6H12 Ethylcyclobutane c4806615  
1813 C6H12 hex-1-ene hexene1  
1814 C6H14 Butane, 2,2-dimethyl- buta22  
1815 C6H14 Butane, 2,3-dimethyl- buta23  
1816 C6H14 Hexane hexane  
1817 C6H14 Pentane, 2-methyl- penta2  
1818 C6H14 Pentane, 3-methyl- penta3  
1819 C4N2 2-Butynedinitrile c4n2  
1820 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1821 C4H2N2 Fumaronitrile c4h2n2  
1822 C2H2N4 sym-tetrazine ttz  
1823 C3H3N3 1,3,5-Triazine triazine135  
1824 CH3N5 5-Aminotetrazole c4418615  
1825 C4H4N2 1,3-Diazine diazine13  
1826 C4H4N2 Pyrazine pyrazine  
1827 C4H4N2 Pyridazine pyridazine  
1828 C4H4N2 Succinonitrile c110612  
1829 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1830 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1831 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1832 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1833 C5H5N E-2,4-pentadienenitrile bdcn  
1834 C5H5N Pyridine pyridine  
1835 B3N3H6 borazine borazine  
1836 C6H6 Fulvene fulvene  
1837 C5H6N+ Pyridinium c5h6n  
1838 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1839 C5H7N (E)-2-Pentenenitrile c26294984  
1840 C5H7N (E)-3-Pentenenitrile c16529661  
1841 C5H7N (Z)-2-Pentenenitrile c25899507  
1842 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1843 C5H7N Cyclobutanecarbonitrile c4426113  
1844 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1845 C5H9N Butanenitrile, 2-methyl- c18936179  
1846 C5H9N Pentanenitrile c110598  
1847 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1848 C6H10 Bicyclo[3.1.0]hexane c285585  
1849 C5H11N Cyclopentanamine cypentam  
1850 C5H11N Piperidine piper  
1851 C4H12N2 1,2-Butanediamine c4426486  
1852 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1853 Li2CO3 Lithium Carbonate li2co3  
1854 Na2CO3 Sodium Carbonate na2co3  
1855 C2O4-- oxalate anion c2o4  
1856 MgSO4 Magnesium Sulfate mgso4  
1857 N2O4 Dinitrogen tetroxide n2o4  
1858 C3H2O3 vinylene carbonate vica  
1859 C2H2O4 Oxalic Acid oxalic  
1860 C2H3NO3 Oxamic acid oxamic  
1861 C4H4O2 2(5H)-Furanone furanone  
1862 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1863 C2H4N2O2 Oxalamide oxalamide  
1864 C2H4N2S2 Ethanedithioamide c79403  
1865 C2H4CO3 Ethylene carbonate etco3  
1866 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1867 C3H4S3 1,3-Dithiolane-2-thione c822388  
1868 C2H4O4 Formic acid dimer fadimer  
1869 C4H5NO 3-Methylisoxazole isox3m  
1870 C4H5NO Isoxazole, 5-methyl- c5765446  
1871 C4H5NS 4-Methylthiazole c693958  
1872 C2H5NO3 Nitric acid, ethyl ester c625581  
1873 C5H6O 2H-Pyran pyran2  
1874 C5H6O 2-methylfuran furan2m  
1875 C5H6O 3-Methylfuran furan3m  
1876 C5H6O Pentadienal pdal  
1877 C5H6S Thiophene, 2-methyl- c554143  
1878 C5H6S Thiophene, 3-methyl- c616444  
1879 C4H6O2 γ–Butyrolactone c96480  
1880 C4H6O2 2,3-Butanedione c431038  
1881 C4H6O2 2-Propenoic acid, methyl ester c96333  
1882 C4H6O2 Crotonic Acid crot  
1883 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1884 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1885 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1886 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1887 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1888 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1889 C4H6OS Vinyl sulfoxide c1115157  
1890 CH6N4S Carbonothioic dihydrazide thiacarb  
1891 C2H6N2O2 (E)-Azodioxymethane c37765154  
1892 C2H6N2O2 Dimethylnitroamine c4164287  
1893 C3H6O3 1,3,5-Trioxane trioxane  
1894 C3H6S3 1,3,5-Trithiane c3h6s3  
1895 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1896 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1897 C4H7NO 2-Pyrrolidinone c616455  
1898 C4H7NO Ethoxyacetonitrile etoaccn  
1899 C4H7NO Methacrylamide c79390  
1900 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1901 C3H7ONO Propyl nitrite prono  
1902 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1903 CH3CH(NH2)COOH Alanine alanine  
1904 CH3NHCH2COOH Sarcosine sarcosine  
1905 NH2CH2CH2COOH β–alanine betaalanine  
1906 NH2COOC2H5 Urethane urethane  
1907 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1908 C5H8O Cyclopentanone c120923  
1909 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1910 C5H8O Methyl cyclopropyl ketone c765435  
1911 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1912 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1913 NH2CONHC2H5 Urea, ethyl- c625525  
1914 C4H8O2 1,3-Dioxane dioxan13  
1915 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1916 C4H8O2 1,4-Dioxane dioxan14  
1917 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1918 C4H8O2 Ethyl acetate c141786  
1919 C4H8OS s-Ethyl thioacetate c625605  
1920 C3H8O3 1,2,3-Propanetriol glycerin  
1921 C3H8O2S (Methylsulfonyl)ethane c594434  
1922 C4H9NO Butanamide c541355  
1923 C4H9NO Propanamide, 2-methyl- c563837  
1924 C5H10O 2-Butanone, 3-methyl- c563804  
1925 C5H10O 2H-Pyran, tetrahydro- c142687  
1926 C5H10O 2-methylbutyraldehyde 2meba  
1927 C5H10O 2-Pentanone mpk  
1928 C5H10O 3-Pentanone dek  
1929 C5H10O Cyclopentanol c96413  
1930 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1931 C5H10O Pentanal pal  
1932 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1933 C5H10S 3-Ethylthio-1-propene c5296628  
1934 C5H10S Cyclopentanethiol c1679078  
1935 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1936 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1937 C4H10O2 1,1-Dimethoxyethane c534156  
1938 C4H10O2 1,3-Butanediol budiol13  
1939 C4H10O2 1,4-Butanediol budiol14  
1940 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1941 C4H10OS Diethyl sulfoxide c70291  
1942 C4H10S2 1,4-Butanedithiol budisl14  
1943 C4H11NO Diethylhydroxylamine c3710847  
1944 C5H12O 1-Butanol, 2-methyl- c137326  
1945 C5H12O 1-Butanol, 3-methyl- c123513  
1946 C5H12O 1-Pentanol pentanol1  
1947 C5H12O 2-Butanol, 3-methyl- c598754  
1948 C5H12O 2-Pentanol peol2  
1949 C5H12O 3-Pentanol pentan3ol  
1950 C5H12O Butane, 1-methoxy- meobu  
1951 C5H12O Propane, 1-ethoxy- proet  
1952 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1953 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1954 C5H12S 1-Butanethiol, 3-methyl- c541311  
1955 C5H12S 1-Pentanethiol c110667  
1956 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1957 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1958 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1959 C5H12S Butane, 1-(methylthio)- c628295  
1960 C5H12S Ethyl propyl sulfide c4110503  
1961 C5H12S Propane, 2-(ethylthio)- c5145993  
1962 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1963 C4F2 difluorobutadiyne c4f2  
1964 ClCOClCO Oxalyl chloride oxcl  
1965 CF3CN Acetonitrile, trifluoro- cf3cn  
1966 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1967 B2F4 Diboron tetrafluoride b2f4  
1968 B2Cl4 Diboron tetrachloride b2cl4  
1969 C2F4 Tetrafluoroethylene c2f4  
1970 C2F4+ Tetrafluoroethylene cation c2f4+  
1971 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1972 CF2CCl2 difluorodichloroethylene cf2ccl2  
1973 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1974 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1975 C2FCl3 fluorotrichloroethene c2fcl3  
1976 C2Cl4 Tetrachloroethylene c2cl4  
1977 C2Br4 tetrabromoethene c2br4  
1978 CF3OF Trifluoromethylhypofluorite cf3of  
1979 SiF5- silicon pentafluoride anion sif5-  
1980 SOF4 Sulfur tetrafluoride oxide sof4  
1981 PF5 Phosphorus pentafluoride pf5  
1982 AsF5 Arsenic pentafluoride asf5  
1983 PCl5 Phosphorus pentachloride pcl5  
1984 SF5 Sulfur pentafluoride sf5  
1985 SF5+ pentafluoro sulfur cation sf5+  
1986 SbCl5 Antimony pentachloride sbcl5  
1987 BrF5 bromine pentafluoride brf5  
1988 ClF5 chlorinepentafluoride clf5  
1989 IF5 pentafluoroiodine if5  
1990 CF3CHO trifluoroacetaldehyde cf3cho  
1991 CCl3CHO trichloroacetaldehyde ccl3cho  
1992 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1993 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1994 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1995 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1996 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1997 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1998 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1999 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
2000 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
2001 CF3COOH trifluoroacetic acid cf3cooh  
2002 C4H3ClO Furan, 2-chloro fur2cl  
2003 C4H3ClO Furan,3-chloro fur3cl  
2004 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
2005 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
2006 C4H8Cl2 1,4-Dichlorobutane c110565  
2007 C4H8Cl2 Butane, 1,2-dichloro- c616217  
2008 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
2009 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
2010 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
2011 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
2012 C5H11Cl Pentane, 1-chloro- pencl1  
2013 C4H8O2 Butanoic acid bua  
2014 C6H5CH2 benzyl radical benzyl  
2015 C7H7 cycloheptatrienyl radical c7h7  
2016 C7H7+ cycloheptatrienyl cation c7h7+  
2017 C6H5CH3 toluene toluene  
2018 C7H8 cycloheptatriene cht  
2019 C7H8 Norbornadiene norbor  
2020 C7H8 Quadricyclane qucy  
2021 C7H12 Norbornane nor  
2022 C7H14 cycloheptane c7h14  
2023 C7H16 2-methylhexane 2mhex  
2024 C7H16 3-methylhexane hex3m  
2025 C7H16 heptane heptane  
2026 CH(CN)3 tricyanomethane mecn3  
2027 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2028 C6H7N 2-Methylpyridine mp  
2029 C6H5NH2 aniline aniline  
2030 C6H13N 2-Methylpiperidine pip2m  
2031 C6H13N cyclohexanamine cham  
2032 C6H15N triethylamine tea  
2033 N2O5 Dinitrogen pentoxide n2o5  
2034 C4H2O3 Maleic Anhydride malan  
2035 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2036 C5H4O2 furfural furfural  
2037 C6H5O phenoxy radical phenoxy  
2038 C5H5NO 2(1H)-Pyridinone c72762006  
2039 C5H5NO 2(3H)-Pyridinone c9000048  
2040 C5H5NO 2(5H)-Pyridinone c9000037  
2041 C5H5NO 2-Pyridinol c109104  
2042 C5H5NO 3(2H)-Pyridinone c9000004  
2043 C5H5NO 3(4H)-Pyridinone c9000026  
2044 C5H5NO 3(6H)-Pyridinone c9000015  
2045 C5H5NO 3-Pyridinol c109002  
2046 C5H5NO 4(1H)-Pryidinone c9000060  
2047 C5H5NO 4(3H)-Pryidinone c9000059  
2048 C5H5NO 4-Pyridinol c626642  
2049 C6H5OH phenol phenol  
2050 C6H6O 2,4-Cyclohexadienone c24599573  
2051 C6H6O 2,5-Cyclohexadienone c5664335  
2052 C6H5SH Benzenethiol phsh  
2053 HO2CCHNH2CH2OH Serine serine  
2054 C5H8O2 Acetylacetone acac  
2055 C4H8O2S Sulfolane sulfolane  
2056 C7H10 Norbornene norbornene  
2057 CH(C2H3)3 trivinyl methane tvm  
2058 C6H10O cyclohexanone chexo  
2059 C6H12O hexanal c6h12o  
2060 C6H12O Oxepane oxepane  
2061 C3H7OC3H7 di-n-propyl ether propr  
2062 F2CCCF2 tetrafluoroallene pfa  
2063 CF3COO- trifluoro acetate anion cf3coo-  
2064 CF3COF trifluoroacetyl fluoride cf3cof  
2065 CF3COCl trifluoroacetyl chloride cf3cocl  
2066 PF6 Hexafluorophosphate neutral pf6  
2067 PF6- Hexafluorophosphate ion pf6-  
2068 SF6 Sulfur Hexafluoride sf6  
2069 SeF6 Selenium hexafluoride sef6  
2070 SF5Cl sulfur chloropentafluoride sf5cl  
2071 CF3CHF2 pentafluoroethane cf3chf2  
2072 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2073 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2074 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2075 CCl3CHCl2 pentachloroethane ccl3chcl2  
2076 C6H5F Fluorobenzene bzf  
2077 C6H5Cl chlorobenzene bzcl  
2078 C6H5Br bromobenzene bzbr  
2079 C8H6 Calicene calicene  
2080 C6H5CCH phenylacetylene phac  
2081 C8H6 benzocyclobutadiene bcbd  
2082 C8H6 Pentalene pentalene  
2083 C6H5CHCH2 Styrene styrene  
2084 C8H8 cubane cubane  
2085 C8H8 cyclooctatetraene cot  
2086 C6H5CH2CH3 Ethylbenzene etbz  
2087 CH3C6H4CH3 meta-xylene mxylene  
2088 CH3C6H4CH3 paraxylene pxylene  
2089 C8H14 Bicyclo[2.2.2]octane bico222  
2090 C8H16 cyclooctane cyclooct  
2091 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2092 C8H18 Octane c8h18  
2093 C6H5CN phenyl cyanide phcn  
2094 C6H12N2 Triethylenediamine ted  
2095 C4O4-- squarate dianion c4o4--  
2096 S4N4 Tetrasulfur tetranitride s4n4  
2097 S8 Octasulfur s8  
2098 C6H4O2 parabenzoquinone pbq  
2099 C4H4N2O2 Uracil uracil  
2100 C6H5CHO benzaldehyde benzal  
2101 C6H5OCH3 Anisole anisole  
2102 C5H9NO2 Proline proline  
2103 C6H12O2 Methyl pivalate c598981  
2104 C6H12O2 Hexanoic acid hexa  
2105 C4F4 tetrafluorcyclobutadiene c4f4  
2106 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2107 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2108 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2109 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2110 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2111 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2112 C2F6 hexafluoroethane c2f6  
2113 C2Cl6 hexachloroethane c2cl6  
2114 IF7 Iodine heptafluoride if7  
2115 C6H4F2 metadifluorobenzene mdfb  
2116 C6H4F2 orthodifluorobenzene odfb  
2117 C6H4F2 1,4-difluorobenzene pdfb  
2118 C6H4Cl2 1,2-dichlorobenzene dcb12  
2119 C6H4Cl2 1,3-dichlorobenzene dcb13  
2120 C6H4Cl2 1,4-dichlorobenzene dcb14  
2121 C6H5NO nitrosobenzene bzno  
2122 C9H8 Indene indene  
2123 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2124 C9H12 n-propyl benzene prbz  
2125 C9H20 Nonane nonane  
2126 C(CN)4 tetracyanomethane c5n4  
2127 C5H4N4 purine purine  
2128 C8H7N Indole indole  
2129 C3H3N3O3 cyanuric acid cyanuric  
2130 C6H5NO2 Nitrobenzene c6h5no2  
2131 C6H5COOH benzoic acid benzo  
2132 CH3COC6H5 acetophenone acph  
2133 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2134 C3F6 hexafluoropropene c3f6  
2135 C6H3F3 Benzene trifluoride 123 bzf3a  
2136 C8H18O 1-Octanol octanol  
2137 C10H8 Azulene azu  
2138 C10H8 naphthalene naph  
2139 C10H10 bullvalene bullv  
2140 C10H16 adamantane adamantane  
2141 C6N4 Tetracyanoethylene tcne  
2142 C6N4- tetracyanoethylene anion tcne-  
2143 C10H22 Decane decane  
2144 C4F6 perfluorobutadiene c4f6  
2145 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2146 C3F8 perfluoropropane c3f8  
2147 Fe(CO)5 Iron pentacarbonyl ipc  
2148 Fe(C5H5)2 ferrocene fecp2  
2149 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2150 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2151 C12H8 Acenaphthylene acenaph  
2152 C12H8 biphenylene biph  
2153 C12H10 biphenyl biphenyl  
2154 C12H10 Heptalene heptalene  
2155 C6H12O6 Inositol inositol  
2156 C6F6 hexafluorobenzene c6f6  
2157 S2F10 disulphur decafluoride s2f10  
2158 C13H10 Fluorene fluorene  
2159 C14H10 Anthracene anth  
2160 C14H10 Phenanthrene phenanthrene  
2161 C14H14 Bibenzyl bibenzyl  
2162 C12H10N2 azobenzene azobenzene  
2163 C6H5COC6H5 benzophenone benzophenone  
2164 C16H10 Pyrene pyrene  
2165 C18H12 Tetracene tetracene  
2166 C19H16 Triphenylmethane tpm  
2167 C24H12 Coronene coronene  
2168 C60 Buckminsterfullerene c60