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List of which calculations are completed at B97D3 /cc-pV(D+d)Z

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count Species Name State Conformation
1 SiH4 Silane 1A1Td
2 H2S Hydrogen sulfide 1A1C2v
3 H2S+ Hydrogen sulfide cation 2B1C2v
4 H3S+ Sulfonium cation 1A1C3v
5 H2Cl+ dihydrogen monochloride cation 1A1C2v
6 Si2H6 disilane 1EuD3d
7 CaS Calcium sulfide 1ΣC∞v
8 NS Mononitrogen monosulfide 2ΠC∞v
9 PO Phosphorus monoxide 2ΠC∞v
10 SO Sulfur monoxide 3ΣC∞v
11 CH3SH Methanethiol 1A'Cs
12 CH3SH2+ protonated methylsulfide 1A'Cs
13 NCl nitrogen monochloride 3ΣC∞v
14 ClO Monochlorine monoxide 2ΠC∞v
15 CH3Cl Methyl chloride 1A1C3v
16 Si3H8 trisilane   
17 SNO Nitrogen oxide sulfide   
18 FNS Thionitrosyl fluoride 1A'Cs
19 FSN Thiazyl fluoride 1A'Cs
20 OPCl Phosphorus oxychloride   
21 OClO Chlorine dioxide 2B1D∞h
22 FClO chlorosyl fluoride 1A'Cs
23 ClOF Chlorine hypofluorite 1A'Cs
24 S2N2 Disulfur dinitride 1AGD2h
25 ClO2F Chloryl fluoride 1A'Cs
26 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 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 h2o  
228 H2O- water anion h2o-  
229 H2O+ water cation h2o+  
230 HDO Water-d1 hdo  
231 D2S Hydrogen sulfide-d2 d2s  
232 H2S- Hydrogen sulfide anion h2s-  
233 H2Se Hydrogen selenide h2se  
234 H2Se+ Hydrogen selenide cation h2se+  
235 H2Te Hydrogen Telluride h2te  
236 H3O+ hydronium cation h3o+  
237 H3Se+ Hydrogen Selenide, protonated h3se+  
238 F Fluorine atom f  
239 F- Fluorine atom anion f-  
240 F+ Fluorine atom cation f+  
241 Cl Chlorine atom cl  
242 Cl- Chlorine atom anion cl-  
243 Cl+ Chlorine atom cation cl+  
244 Mn Manganese atom mn  
245 Br Bromine atom br  
246 Br- Bromine atom anion br-  
247 Br+ Bromine atom cation br+  
248 I Iodine atom iodine  
249 I- Iodine atom anion iodine-  
250 I+ Iodine atom cation iodine+  
251 DF Hydrofluoric acid-d df  
252 HF Hydrogen fluoride hf  
253 HF- hydrogen fluoride anion hf-  
254 HF+ hydrogen fluoride cation hf+  
255 DCl Hydrochloric acid-d dcl  
256 HCl Hydrogen chloride hcl  
257 HCl- hydrogen chloride anion hcl-  
258 HCl+ hydrogen chloride cation hcl+  
259 HBr hydrogen bromide hbr  
260 HBr- hydrogen bromide anion hbr-  
261 HBr+ hydrogen bromide cation hbr+  
262 HI Hydrogen iodide hi  
263 HI+ Hydrogen iodide cation hi+  
264 H2F+ dihydrogen fluoride cation h2f+  
265 H2Br+ protonated hydrogen bromide h2br+  
266 H2I+ Iodonium h2i+  
267 Ne Neon atom ne  
268 Ne- Neon atom anion ne-  
269 Ne+ Neon atom cation ne+  
270 Ar Argon atom ar  
271 Ar- Argon atom anion ar-  
272 Ar+ Argon atom cation ar+  
273 Fe Iron atom fe  
274 Kr Krypton atom kr  
275 Kr+ Krypton cation kr+  
276 Xe Xenon atom xe  
277 HeLi+ Helium Lithium cation heli+  
278 NeH neon hydrogen neh  
279 NeH+ neon hydrogen cation neh+  
280 ArH+ Argon hydride cation arh+  
281 KrH+ Protonated Krypton krh+  
282 XeH+ Xenon, protonated xeh+  
283 H2Ar H2 Ar dimer h2ar  
284 Co Cobalt atom cobalt  
285 Ni Nickel atom ni  
286 Li2 Lithium diatomic li2  
287 Li2- lithium diatomic anion li2-  
288 Li2+ lithium diatomic cation li2+  
289 NaLi lithium sodium lina  
290 NaLi- lithium sodium anion lina-  
291 NaLi+ lithium sodium cation lina+  
292 LiK Lithium Potassium lik  
293 Na2 Sodium diatomic na2  
294 Na2- sodium diatomic anion na2-  
295 Na2+ sodium diatomic cation na2+  
296 NaK Sodium Potassium nak  
297 NaK+ Sodium Potassium diatomic cation nak+  
298 K2 Potassium diatomic k2  
299 Cu2 Copper diatomic cu2  
300 LiBe Lithium Beryllium libe  
301 LiMg Lithium magnesium limg  
302 NaBe Sodium Beryllium nabe  
303 NaMg Sodium Magnesium namg  
304 Be2 Beryllium diatomic be2  
305 Be2- Beryllium diatomic anion be2-  
306 Be2+ Beryllium diatomic cation be2+  
307 BeMg Beryllium Magnesium bemg  
308 Mg2 Magnesium diatomic mg2  
309 Mg2- magnesium diatomic anion mg2-  
310 Mg2+ magnesium diatomic cation mg2+  
311 Ca2 Calcium diatomic ca2  
312 LiB Lithium boride lib  
313 LiAl Lithium Aluminum lial  
314 NaAl Sodium aluminum naal  
315 BeB Beryllium monoboride beb  
316 B2 Boron diatomic b2  
317 B2- Boron diatomic anion b2-  
318 B2+ Boron diatomic cation b2+  
319 BAl Boron Aluminum bal  
320 Al2 Aluminum diatomic al2  
321 Al2- aluminum diatomic anion al2-  
322 Al2+ aluminum diatomic cation al2+  
323 BGa Boron Gallium bga  
324 AlGa Aluminum Gallium alga  
325 Ga2 Gallium diatomic ga2  
326 HBBH Diborane(2) hbbh  
327 LiBH4 Lithium borohydride libh4  
328 B2H4 Diborane(4) D2d b2h4  
329 HBHHBH Diborane(4) C2V hbhhbh  
330 B2H6 Diborane b2h6  
331 B2H6+ Diborane cation b2h6  
332 Al2H6 dialane al2h6  
333 Ga2H6 digallane ga2h6  
334 LiC Lithium Carbide lic  
335 BeC Beryllium Carbide bec  
336 CaC Calcium monocarbide cac  
337 BC boron monocarbide bc  
338 BC- boron monocarbide anion bc-  
339 BC+ boron monocarbide cation bc+  
340 AlC Aluminum carbide alc  
341 BSi Boron silicide bsi  
342 C2 Carbon diatomic c2  
343 C2- carbon diatomic anion c2-  
344 C2+ carbon diatomic cation c2+  
345 SiC silicon monocarbide sic  
346 SiC- silicon monocarbide anion sic-  
347 SiC+ silicon monocarbide cation sic+  
348 Si2 Silicon diatomic si2  
349 Si2- silcon diatomic anion si2-  
350 Si2+ silcon diatomic cation si2+  
351 GeC Germanium monocarbide gec  
352 SiGe Silicon Germanium sige  
353 Ge2 Germanium diatomic ge2  
354 C2H Ethynyl radical c2h  
355 C2H- Ethynyl anion c2h-  
356 C2H+ Ethynyl cation c2h+  
357 ZnCH2 Zinc methylene znch2  
358 C2H2 Acetylene c2h2  
359 C2H2+ acetylene cation c2h2+  
360 CCH2 vinylidene vinylidene  
361 H2CC- vinylidene anion h2cc-  
362 HCCH- acetylene anion c2h2-  
363 Si2H2 disilyne si2h2  
364 CH3Li methyl lithium ch3li  
365 CuCH3 monomethyl copper cuch3  
366 ZnCH3 Zinc monomethyl znch3  
367 CH2BH methyleneborane ch2bh  
368 C2H3 vinyl c2h3  
369 C2H3- vinyl anion c2h3-  
370 C2H3+ vinyl cation c2h3+  
371 C2H4 Ethylene c2h4  
372 C2H4- Ethylene anion c2h4-  
373 C2H4+ Ethylene cation c2h4+  
374 CH3CH methylmethylene ch3ch  
375 CH2SiH2 silaethylene ch2sih2  
376 Si2H4 Disilene si2h4  
377 CH3BH2 methylborane ch3bh2  
378 C2H5 Ethyl radical c2h5  
379 C2H5- Ethyl anion c2h5-  
380 C2H5+ Ethyl cation c2h5+  
381 C2H6 Ethane c2h6  
382 C2H6+ ethane cation c2h6+  
383 CH3SiH3 methyl silane ch3sih3  
384 GeH3CH3 methyl germane geh3ch3  
385 C2H7+ Ethane, protonated c2h7+  
386 LiN Lithium Nitride lin  
387 LiN+ Lithium Nitride cation lin+  
388 LiP Lithium monophosphide lip  
389 BeN Beryllium mononitride ben  
390 BeN- Beryllium mononitride anion ben-  
391 BeN+ Beryllium mononitride cation ben+  
392 MgN Magnesium Nitride mgn  
393 BN- boron nitride anion bn-  
394 AlN- aluminum mononitride anion aln-  
395 AlN+ aluminum mononitride cation aln+  
396 BP Boron monophosphide bp  
397 AlP Aluminum monophosphide alp  
398 GaN Gallium mononitride gan  
399 GaP Gallium monophosphide gap  
400 GaAs Gallium arsenide gaas  
401 BN boron nitride bn  
402 BN+ boron nitride cation bn+  
403 AlN Aluminum nitride aln  
404 CN Cyano radical cn  
405 CN- cyanide anion cn-  
406 CN+ Cyano cation cn+  
407 CP Carbon monophosphide cp  
408 CP- carbon monophosphide anion cp-  
409 CP+ carbon monophosphide cation cp+  
410 SiN Silicon nitride sin  
411 SiN- silicon mononitride anion sin-  
412 SiN+ silicon mononitride cation sin+  
413 SiP Silicon monophosphide sip  
414 SiP- Silicon monophosphide anion sip-  
415 SiP+ Silicon monophosphide cation sip+  
416 TiN Titanium mononitride tin  
417 N2 Nitrogen diatomic n2  
418 N2- nitrogen diatomic anion n2-  
419 N2+ diatomic nitrogen cation n2+  
420 PN Phosphorus mononitride pn  
421 PN- phosphorus nitride anion pn-  
422 PN+ phosphorus nitride cation pn+  
423 P2 Phosphorus diatomic p2  
424 P2- phosphorus diatomic anion p2-  
425 P2+ phosphorus diatomic cation p2+  
426 AsN Arsenic mononitride asn  
427 AsP Arsenic monophosphide asp  
428 SbN Antimony nitride sbn  
429 As2 Arsenic diatomic as2  
430 HNB hydrogen nitrogen boron hnb  
431 HNC hydrogen isocyanide hnc  
432 HCN Hydrogen cyanide hcn  
433 HCN- Hydrogen cyanide anion hcn-  
434 HCN+ hydrogen cyanide cation hcn+  
435 HNC+ hydrogen isocyanide cation hnc+  
436 HCP Phosphaethyne hcp  
437 HCP+ Phosphaethyne cation hcp+  
438 NNH Dinitrogen monohydride nnh  
439 NNH+ Dinitrogen monohydride cation nnh+  
440 HPO Hydrogen phosphorus oxide hpo  
441 HPO+ Hydrogen phosphorus oxide cation hpo+  
442 LiNH2 lithium amide linh2  
443 HBNH Boranimine hbnh  
444 CNH2 Aminomethylidyne radical cnh2  
445 CNH2+ N-protonated hydrogen isocyanide cnh2+  
446 H2CN Dihydrogen cyanide radical h2cn  
447 H2CN+ hydrocyanonium cation h2cn+  
448 HCNH methyleneazane hcnh  
449 HCNH+ N-protonated HCN hcnh+  
450 H2NN Isodiazene h2nn  
451 N2H2 (E)-diazene n2h2  
452 N2H2 (Z)-Diazene n2h2z  
453 N2H2+ trans-diazene cation n2h2+  
454 CH2NH Methanimine ch3n  
455 CH2NH+ Methanimine cation ch2nh+  
456 CHNH2 aminomethylene chnh2  
457 CHNH2+ Aminocarbene cation chnh2+  
458 CH2PH Phosphaethene ch3p  
459 BH2NH2 Boranamine bh2nh2  
460 CH2NH2+ methyleneamine cation ch2nh2+  
461 N2H4 Hydrazine n2h4  
462 N2H4+ hydrazine cation n2h4+  
463 P2H4 Diphosphine p2h4  
464 CH3NH2 methyl amine ch3nh2  
465 CH3NH2+ methyl amine cation ch3nh2+  
466 CH3PH2 Methyl phosphine ch3ph2  
467 SiH3NH2 Silane, amino sih3nh2  
468 N2H5+ protonated hydrazine n2h5+  
469 BH3PH3 borane phosphine bh3ph3  
470 BH3NH3 borane ammonia bh3nh3  
471 CH3NH3 methyl ammonium radical ch3nh3  
472 CH3NH3+ protonated methylamine ch3nh3+  
473 CH3PH3+ methyl phosphine, protonated ch3ph3+  
474 NH3NH3 Ammonia Dimer nh3nh3  
475 N2H7+ ammonia ammonium dimer n2h7+  
476 LiO lithium oxide lio  
477 LiO- lithium oxide anion lio-  
478 LiO+ lithium oxide cation lio+  
479 LiS Lithium monosulfide lis  
480 LiS+ Lithium sulfide cation lis+  
481 NaO sodium monoxide nao  
482 NaO- sodium oxide anion nao-  
483 NaO+ sodium oxide cation nao+  
484 KO Potassium monoxide ko  
485 KO+ Potassium monoxide cation ko+  
486 NaS Sodium sulfide nas  
487 CuO Copper Monoxide cuo  
488 LiSe Lithium monoselenide lise  
489 BeO beryllium oxide beo  
490 BeO- Beryllium monoxide anion beo-  
491 BeO+ Beryllium monoxide cation beo+  
492 BeS beryllium sulfide bes  
493 MgO magnesium oxide mgo  
494 MgO- magnesium oxide anion mgo-  
495 MgO+ magnesium oxide cation mgo+  
496 CaO Calcium monoxide cao  
497 MgS magnesium sulfide mgs  
498 MgS- magnesium sulfide anion mgs-  
499 MgS+ magnesium sulfide cation mgs+  
500 ZnO zinc monoxide zno  
501 ZnS Zinc sulfide zns  
502 BeS- Beryllium monosulfide anion bes-  
503 BeS+ Beryllium monosulfide cation bes+  
504 BO boron monoxide bo  
505 BO- boron monoxide anion bo-  
506 AlO Aluminum monoxide alo  
507 AlO- Aluminum monoxide anion alo-  
508 AlO+ aluminum monoxide cation alo+  
509 BS boron sulfide bs  
510 BS- boron monosulfide anion bs-  
511 BS+ boron monosulfide cation bs+  
512 AlS Aluminum sulfide als  
513 AlS- aluminum monosulfide anion als-  
514 AlS+ aluminum monosulfide cation als+  
515 ScO Scandium monoxide sco  
516 GaO Gallium monoxide gao  
517 GaS Gallium monosulfide gas  
518 BO+ boron monoxide cation bo+  
519 CO Carbon monoxide co  
520 CO- carbon monoxide anion co-  
521 CO+ carbon monoxide cation co+  
522 CS carbon monosulfide cs  
523 CS- carbon monosulfide anion cs-  
524 CS+ carbon monosulfide cation cs+  
525 SiO Silicon monoxide sio  
526 SiO- silicon monoxide anion sio-  
527 SiO+ silicon monoxide cation sio+  
528 SiS silicon monosulfide sis  
529 SiS- silicon monosulfide anion sis-  
530 SiS+ silicon monosulfide cation sis+  
531 TiO Titanium monoxide tio  
532 CSe Carbon monoselenide cse  
533 CSe- Carbon monoselenide anion cse-  
534 CSe+ Carbon monoselenide cation cse+  
535 GeO Germanium monoxide geo  
536 GeO+ Germanium monoxide cation geo+  
537 GeS Germanium monosulfide ges  
538 SiSe Silicon Monoselenide sise  
539 SiSe+ Silicon Monoselenide cation sise+  
540 GeSe Germanium monoselenide gese  
541 NO Nitric oxide no  
542 NO- nitric oxide anion no-  
543 NO+ nitric oxide cation no+  
544 NS- nitrogen sulfide anion ns-  
545 NS+ nitrogen sulfide cation ns+  
546 PO- phosphorus monoxide anion po-  
547 PO+ phosphorus monoxide cation po+  
548 PS phosphorus sulfide ps  
549 PS- phosphorus monosulfide anion ps-  
550 PS+ phosphorus monosulfide cation ps+  
551 VO Vanadium monoxide vo  
552 AsO Arsenic monoxide aso  
553 NSe Nitrogen monoselenide nse  
554 AsS Arsenic monosulfide ass  
555 PSe Phosphorus monoselenide pse  
556 AsSe Arsenic monoselenide asse  
557 O2 Oxygen diatomic o2  
558 O2- oxygen diatomic anion o2-  
559 O2-- dioxygen dianion o2--  
560 O2+ diatomic oxygen cation o2+  
561 SO- sulfur monoxide anion so-  
562 SO+ sulfur monoxide cation so+  
563 S2 Sulfur diatomic s2  
564 S2- sulfur diatomic anion s2-  
565 S2+ sulfur diatomic cation s2+  
566 SeO Selenium monoxide seo  
567 SeO- selenium monoxide anion seo-  
568 SeO+ selenium monoxide cation seo+  
569 SeS Selenium monosulfide ses  
570 SeS- selenium monosulfide anion ses-  
571 SeS+ selenium monosulfide cation ses+  
572 TeO Tellurium monoxide teo  
573 Se2 Selenium diatomic se2  
574 Se2- selenium diatomic anion se2-  
575 Se2+ selenium diatomic cation se2+  
576 Te2 Tellurium diatomic te2  
577 LiOH lithium hydroxide lioh  
578 NaOH sodium hydroxide naoh  
579 KOH Potassium hydroxide koh  
580 BeOH beryllium monohydroxide beoh  
581 MgOH magnesium hydroxide mgoh  
582 CaOH Calcium monohydroxide caoh  
583 HBO Boron hydride oxide hbo  
584 HBS hydrogen boron sulfide hbs  
585 COH Hydroxymethylidyne coh  
586 COH+ Carbon Monoxide, protonated coh+  
587 HCO Formyl radical hco  
588 HCO- formyl anion hco-  
589 HCO+ Formyl cation hco+  
590 HCS Thioformyl radical hcs  
591 HCS- Thioformyl anion hcs-  
592 HCS+ Thioformyl cation hcs+  
593 HNO Nitrosyl hydride hno  
594 HNO- Nitrosyl hydride anion hno-  
595 HNO+ Nitrosyl hydride cation hno+  
596 NOH Hydroxyimidogen noh  
597 NOH+ O-protonated nitric oxide noh+  
598 HNS Sulfur imide hns  
599 HNS- Sulfur imide anion hns-  
600 HO2 Hydroperoxy radical ho2  
601 HO2- Hydroperoxy anion ho2-  
602 HO2+ Hydroperoxy cation ho2+  
603 HSO+ Sulfur Monoxide, S-protonated HSO+  
604 SOH Sulfur Hydroxide soh  
605 SOH+ Sulfur Monoxide, protonated soh+  
606 HS2 Thiosulfeno radical hs2  
607 H2CO Formaldehyde h2co  
608 H2CO- formaldehyde anion h2co-  
609 H2CO+ formaldehyde cation h2co+  
610 HOCH hydroxycarbene hoch  
611 H2CS Thioformaldehyde h2cs  
612 H2CS- thioformaldehyde anion h2cs-  
613 H2CS+ thioformaldehyde cation h2cs+  
614 H2CSe Selenoformaldehyde h2cse  
615 H2NO nitroxide h2no  
616 H2O2 Hydrogen peroxide h2o2  
617 H2O2+ Hydrogen peroxide cation h2o2+  
618 H2OO water oxide h2oo  
619 HOSH hydrogen thioperoxide hosh  
620 H2S2 Disulfane h2s2  
621 H2S2+ hydrogen disulfide cation h2s2+  
622 H2Se2 hydrogen diselenide h2se2  
623 CH2OH Hydroxymethyl radical ch2oh  
624 CH2OH+ hydroxymethyl cation ch2oh+  
625 CH3O Methoxy radical ch3o  
626 CH3O- methoxy anion ch3o-  
627 CH3O+ Methoxy cation ch3o+  
628 CH3S thiomethoxy ch3s  
629 H2CSH+ Thioformaldehyde, protonated h2csh+  
630 NH2OH hydroxylamine nh2oh  
631 NH2OH+ Hydroxylamine cation nh2oh+  
632 NH3O Ammonia Oxide nh3o  
633 H2POH Phosphinous acid h2poh  
634 H3PO Phosphine oxide h3po  
635 NH2SH Thiohydroxylamine nh2sh  
636 NH3S sulfidoazane nh3s  
637 H3O2+ hydrogen peroxide, protonated h3o2+  
638 CH3OH Methyl alcohol ch3oh  
639 CH3OH- Methyl alcohol anion ch3oh-  
640 CH3OH+ Methyl alcohol cation ch3oh+  
641 CH3SH+ Methanethiol cation ch3sh+  
642 SiH3OH silanol sih3oh  
643 CH3SeH Methane selenol ch3seh  
644 NH2OH2+ protonated hydroxylamine nh2oh2+  
645 NH3OH+ N-protonated hydroxylamine nh3oh+  
646 H2OH2O water dimer h2oh2o  
647 CH3OH2+ Methanol, protonated ch3oh2+  
648 H2ONH3 Water Ammonia Dimer h2onh3  
649 H5O2+ Dihydroxonium ion h5o2+  
650 LiF lithium fluoride lif  
651 LiCl lithium chloride licl  
652 LiCl- lithium chloride anion licl-  
653 LiCl+ lithium chloride cation licl+  
654 NaF sodium fluoride naf  
655 NaF- sodium fluoride anion naf-  
656 NaF+ sodium fluoride cation naf+  
657 KF Potassium Fluoride kf  
658 NaCl Sodium Chloride nacl  
659 NaCl- sodium chloride anion nacl-  
660 NaCl+ sodium chloride cation nacl+  
661 KCl Potassium Chloride kcl  
662 CuF Copper monofluoride cuf  
663 LiBr Lithium Bromide libr  
664 LiBr- lithium bromide anion libr-  
665 LiBr+ lithium bromide cation libr+  
666 CuCl Copper monochloride cucl  
667 NaBr Sodium Bromide nabr  
668 NaBr- sodium bromide anion nabr-  
669 NaBr+ sodium bromide cation nabr+  
670 KBr Potassium Bromide kbr  
671 LiI Lithium Iodide lii  
672 NaI Sodium Iodide nai  
673 KI Potassium Iodide ki  
674 LiF- lithium fluoride anion lif-  
675 LiF+ lithium fluoride cation lif+  
676 BeF Beryllium monofluoride bef  
677 BeF- Beryllium monofluoride anion bef-  
678 BeF+ Beryllium monofluoride cation bef+  
679 BeCl beryllium monochloride becl  
680 MgF Magnesium monofluoride mgf  
681 MgF- magnesium fluoride anion mgf-  
682 MgF+ magnesium fluoride cation mgf+  
683 CaF Calcium monofluoride caf  
684 MgCl magnesium monochloride mgcl  
685 MgCl- magnesium monochloride anion mgcl-  
686 MgCl+ magnesium monochloride cation mgcl+  
687 CaCl calcium monochloride cacl  
688 TiCl Titanium Monochloride ticl  
689 ZnF Zinc monofluoride znf  
690 ZnF- Zinc monofluoride anion znf-  
691 ZnF+ Zinc monofluoride cation znf+  
692 ZnCl Zinc monochloride zncl  
693 CaBr Calcium monobromide cabr  
694 BeCl- beryllium monochloride anion becl-  
695 BeCl+ beryllium monochloride cation becl+  
696 BF Boron monofluoride bf  
697 BF- Boron monofluoride anion bf-  
698 BF+ Boron monofluoride cation bf+  
699 AlF Aluminum monofluoride alf  
700 AlF- Aluminum monofluoride anion alf-  
701 AlF+ Aluminum monofluoride cation alf+  
702 BCl boron monochloride bcl  
703 BCl- boron monochloride anion bcl-  
704 BCl+ boron monochloride cation bcl+  
705 AlCl Aluminum monochloride alcl  
706 AlCl- aluminum monochloride anion alcl-  
707 AlCl+ aluminum monochloride cation alcl+  
708 ScF Scandium monofluoride scf  
709 BBr Boron monobromide bbr  
710 GaF Gallium monofluoride gaf  
711 GaF+ Gallium monofluoride cation gaf+  
712 AlBr Aluminum monobromide albr  
713 GaCl Gallium monochloride gacl  
714 GaCl+ Gallium monochloride cation gacl+  
715 AlI Aluminum monoiodide ali  
716 GaBr Gallium monobromide gabr  
717 CF Fluoromethylidyne cf  
718 CF- carbon monofluoride anion cf-  
719 CF+ carbon monofluoride cation cf+  
720 CCl carbon monochloride ccl  
721 CCl- carbon monochloride anion ccl-  
722 CCl+ carbon monochloride cation ccl+  
723 SiF silicon monofluoride sif  
724 SiF- silicon monofluoride anion sif-  
725 SiF+ silicon monofluoride cation sif+  
726 SiCl Clorosilylidyne sicl  
727 SiCl- silicon monochloride anion sicl-  
728 SiCl+ silicon monochloride cation sicl+  
729 CBr Carbon monobromide cbr  
730 GeF Germanium monofluoride gef  
731 GeF+ Germanium monofluoride cation gef+  
732 GeCl Germanium monochloride gecl  
733 GeCl+ Germanium monochloride cation gecl+  
734 SiBr Silicon monobromide sibr  
735 SiBr+ Silicon monobromide cation sibr+  
736 NF nitrogen fluoride nf  
737 NF- nitrogen monofluorine anion nf-  
738 NF+ nitrogen monofluoirde cation nf+  
739 NCl- nitrogen monochloride anion ncl-  
740 NCl+ nitrogen monochloride cation ncl+  
741 PF phosphorus monofluoride pf  
742 PF- phosphorus monofluoride anion pf-  
743 PF+ phosphorus monofluoride cation pf+  
744 PCl phosphorus chloride pcl  
745 PCl- phosphorus monochloride anion pcl-  
746 PCl+ phosphorus monochloride cation pcl+  
747 AsF Arsenic monofluoride asf  
748 NBr nitrogen monobromide nbr  
749 AsCl Arsenic monochloride ascl  
750 PBr Phosphorus monobromide pbr  
751 SbF Antimony monofluoride sbf  
752 SbCl Antimony monochloride sbcl  
753 FO Oxygen monofluoride fo  
754 FO- flourine oxide anion fo-  
755 FO+ fluorine monoxide cation fo+  
756 ClO- chlorine monoxide anion clo-  
757 ClO+ chlorine monoxide cation clo+  
758 SF Monosulfur monofluoride sf  
759 SF- sulfur monofluoride anion sf-  
760 SF+ sulfur monofluoride cation sf+  
761 SCl sulfur monochloride scl  
762 SCl- sulfur monochloride anion scl-  
763 SCl+ sulfur monochloride cation scl+  
764 BrO Bromine monoxide bro  
765 BrO- Bromine monoxide anion bro-  
766 BrO+ Bromine monoxide cation bro+  
767 SeF Selenium monofluoride sef  
768 SBr Sulfur monobromide radical sbr  
769 SBr+ Sulfur monobromide cation sbr+  
770 SeCl Selenium monochloride secl  
771 IO Iodine monoxide io  
772 SeBr Selenium monobromide sebr  
773 BrCl Bromine monochloride brcl  
774 F2 Fluorine diatomic f2  
775 F2- flourine diatomic anion f2-  
776 F2+ flourine diatomic cation f2+  
777 ClF Chlorine monofluoride clf  
778 ClF- clorine monofluoride anion clf-  
779 ClF+ clorine monofluoride cation clf+  
780 Cl2 Chlorine diatomic cl2  
781 Cl2- chlorine diatomic anion cl2-  
782 Cl2+ chlorine diatomic cation cl2+  
783 BrF Bromine monofluoride brf  
784 BrF- bromine fluoride anion brf-  
785 BrF+ bromine fluoride cation brf+  
786 BrCl- bromine chloride anion brcl-  
787 BrCl+ bromine chloride cation brcl+  
788 IF Iodine monofluoride if  
789 Br2 Bromine diatomic br2  
790 Br2- bromine diatomic anion br2-  
791 Br2+ bromine diatomic cation br2+  
792 ICl Iodine monochloride icl  
793 IBr Iodine monobromide ibr  
794 I2 Iodine diatomic i2  
795 I2+ Iodine diatomic cation i2+  
796 HCF Fluoromethylene hcf  
797 HCCl Chloromethylene hccl  
798 HSiF fluorosilylene hsif  
799 HSiCl Chlorosilylene hsicl  
800 HSiBr monobromosilylene hsibr  
801 CHBr bromomethylene chbr  
802 HOF Hypofluorous acid hfo  
803 DOCl Hypochlorous acid-d docl  
804 HOCl hypochlorous acid hocl  
805 HOCl+ hypochlorous acid cation hocl+  
806 HOBr Hypobromous acid hobr  
807 HOBr+ Hypobromous acid cation hobr+  
808 HOI Hypoiodous acid hoi  
809 F2H+ Fluorine, protonated f2h+  
810 FHF Hydrogen difluoride fhf  
811 FHF- Hydrogen difluoride anion fhf-  
812 ClFH+ Chlorine fluoride, F-protonated clfh+  
813 FClH+ Chlorine fluoride, Cl-protonated fclh+  
814 Cl2H+ Chlorine, protonated cl2h+  
815 CH2Br bromomethyl radical ch2br  
816 CH2F fluoromethyl radical ch2f  
817 CH2F+ fluoromethyl cation ch2f+  
818 CH2Cl+ chloromethyl cation ch2cl+  
819 CH2Cl chloromethyl radical ch2cl  
820 NH2F monofluoroamine nh2f  
821 NH2Cl chloramine nh2cl  
822 H2F2 Hydrogen fluoride dimer h2f2  
823 CH3F+ methyl fluoride cation ch3f+  
824 CD3F methylfluoride-d3 cd3f  
825 CH3F Methyl fluoride ch3f  
826 CD3Cl methyl chloride d3 cd3cl  
827 CH3Cl+ Methyl chloride cation ch3cl+  
828 SiH3F monofluorosilane sih3f  
829 SiH3Cl chlorosilane sih3cl  
830 CH3Br methyl bromide ch3br  
831 GeH3F monofluorogermane geh3f  
832 GeH3Cl monochlorogermane geh3cl  
833 SiH3Br bromosilane sih3br  
834 CH3I methyl iodide ch3i  
835 SiH3I Silyl Iodide sih3i  
836 NH3Cl+ protonated monochloroammonia nh3cl+  
837 CH3ClH+ methyl chloride, protonated ch3clh+  
838 NH4Cl Ammonium chloride nh4cl  
839 LiNe+ Lithium Neon cation line+  
840 Ne2 Neon diatomic ne2  
841 Ne2+ Neon diatomic cation ne2+  
842 Ar2 Argon diatomic ar2  
843 Ar2+ Argon diatomic cation ar2+  
844 Li3 Lithium trimer li3  
845 Li3+ Lithium trimer cation li3+  
846 C3 carbon trimer c3  
847 C3+ carbon trimer cation c3+  
848 SiC2 Silicon dicarbide sic2  
849 C3H3 cyclopropenyl radical cpr  
850 C3H3 Propargyl radical propargyl  
851 C3H3- Propargyl anion c3h3-  
852 C3H3+ cyclopropenyl cation cpr+  
853 C3H3+ Propargyl cation c3h3+  
854 C3H4 cyclopropene cprop  
855 CH2CCH2 allene allene  
856 CH3CCH propyne propyne  
857 C3H5 Allyl radical allyl  
858 C3H5+ Allyl cation allyl+  
859 CH3CHCH 1-propenyl radical ch3chch  
860 Zn(CH3)2 dimethyl zinc dmz  
861 C3H6 Cyclopropane c3h6  
862 CH2CHCH3 Propene propene  
863 C3H7 n-Propyl radical npropyl  
864 C3H7+ cyclopropane, protonated c3h7+  
865 CH3CHCH3 Isopropyl radical isopropyl  
866 CH3CHCH3+ Isopropyl cation prop2yl+  
867 C3H8 Propane propane  
868 SiH2(CH3)2 dimethylsilane dms  
869 LiCN lithium cyanide licn  
870 NaCN Sodium Cyanide nacn  
871 KCN Potassium cyanide kcn  
872 CuCN Copper cyanide cucn  
873 ZnCN Zinc monocyanide zncn  
874 ZnNC Zinc isocyanide znnc  
875 AlCN Aluminum monocyanide alcn  
876 AlNC Aluminum isocyanide alnc  
877 CN2 3H-Diazirin-3-ylidene cn2  
878 CNN Diazocarbene cnn  
879 NCN Cyanoimidogen ncn  
880 N3 azide radical n3  
881 N3- azide anion n3-  
882 N3+ azide cation n3+  
883 HCCN cyanomethylene hccn  
884 HCNN diazomethyl radical hcnn  
885 HN3 hydrogen azide hn3  
886 HN3+ Hydrazoic acid cation hn3+  
887 HNCNH diiminomethane hncnh  
888 CH2N2 diazirine ch2n2  
889 CH2NN diazomethane ch2nn  
890 NH2CN cyanamide cyanamide  
891 HNNNH+ 1,2-Triazadienium n2h3+  
892 NH2NN+ hydrazoic acid, protonated nh2nn+  
893 CH3CN Acetonitrile ch3cn  
894 CH3CN- acetonitrile anion ch3cn-  
895 CH3CN+ Acetonitrile cation ch3cn+  
896 CH3NC methyl isocyanide ch3nc  
897 CHNCH2 2H-Azirine c157164  
898 CHNHCH 1H-Azirine chnhch  
899 H2CCNH Ethenimine ch2cnh  
900 H2CNCH methyleneaminomethylene ch2nch  
901 HCCNH2 Ethynamine hccnh2  
902 HCNCH2+ 2H-Azirine cation hcnch2+  
903 HNCNH2+ diiminomethane, protonated hncnh2+  
904 NCNH3+ Cyanamide, protonated ncnh3+  
905 NH2CNH+ cyanamide, cn protonated nh2cnh+  
906 NH3CN+ cyanamide, amine protonated nh3cn+  
907 CH2CHNH vinylazine ch2chnh  
908 CH3CHN methylmethaniminyl radical ch3chn  
909 NHCHNH2 aminomethanimine cn2h4  
910 C2H5N Aziridine c2h5n  
911 CH2CHNH2 aminoethene aminoethene  
912 CH2NCH3 N-methylmethanimine nmm  
913 CH3CHNH ethanimine ethanimine  
914 NH2BHNH2 diaminoborane nh2bhnh2  
915 C2H5NH+ Protonated Aziridine c2h5nh+  
916 C2H6N+ aziridine, protonated c2h6n+  
917 NH2CH2NH2 diaminomethane nh2ch2nh2  
918 CH3CH2NH2 Ethylamine etam  
919 CH3NHCH3 Dimethylamine ch3nhch3  
920 CH3PHCH3 dimethylphosphine ch3phch3  
921 NH2CH2NH3+ diaminoethane, protonated pdam  
922 (CH3)2NH2+ dimethylammonium cation dmam  
923 CH3CH2NH3+ ethylamine, protonated pea  
924 Li2O dilithium oxide li2o  
925 Li2O+ dilithium oxide cation li2o+  
926 Li2S dilithium sulfide li2s  
927 Na2O disodium monoxide na2o  
928 Na2S Sodium sulfide na2s  
929 LiO2 Lithium dioxide lio2  
930 NaO2 Sodium superoxide nao2  
931 CCO Dicarbon monoxide cco  
932 CNO- fulminate cno-  
933 NCO isocyanato radical nco  
934 NCO- cyanate nco-  
935 SCN thiocyanato radical scn  
936 SCN- thiocyanide anion scn-  
937 BO2 Boron dioxide bo2  
938 BO2- Boron dioxide anion bo2-  
939 BO2+ Boron dioxide cation bo2+  
940 N2O Nitrous oxide n2o  
941 N2O- Nitrous oxide anion n2o-  
942 N2O+ Nitrous oxide cation n2o+  
943 NNS Nitrogen sulfide nns  
944 PPO Phosphorus oxide phosphide ppo  
945 CO2 Carbon dioxide co2  
946 CO2- Carbon dioxide anion co2-  
947 CO2+ Carbon dioxide cation co2+  
948 OCS Carbonyl sulfide cos  
949 OCS+ Carbonyl sulfide cation cos+  
950 SiO2 silicon dioxide sio2  
951 CS2 Carbon disulfide cs2  
952 CS2- Carbon disulfide anion cs2-  
953 CS2+ Carbon disulfide cation cs2+  
954 TiO2 Titanium dioxide tio2  
955 SiS2 Silicon disulfide sis2  
956 GeO2 Germanium dioxide geo2  
957 OCSe Carbonyl selenide ocse  
958 SCSe Carbon sulfide selenide scse  
959 GeS2 Germanium disulfide ges2  
960 CSe2 Carbon diselenide cse2  
961 SCTe Carbon sulfide Telluride scte  
962 NO2 Nitrogen dioxide no2  
963 NO2- Nitrogen dioxide anion no2-  
964 NO2+ Nitrogen dioxide cation no2+  
965 NSO sulfinyl amidogen NSO  
966 PO2 Phosphorus dioxide po2  
967 PO2- Phosphorus dioxide anion po2-  
968 PO2+ Phosphorus dioxide cation po2+  
969 AsO2 Aresenic dioxide aso2  
970 O3 Ozone o3  
971 O3- Ozone anion o3-  
972 O3+ Ozone cation o3+  
973 SO2 Sulfur dioxide so2  
974 SO2- Sulfur dioxide anion so2-  
975 SO2+ Sulfur dioxide cation so2+  
976 SSO Disulfur monoxide sso  
977 S3 Sulfur trimer s3  
978 S3- Sulfur trimer anion s3-  
979 S3+ Sulfur trimer cation s3+  
980 SeO2 Selenium dioxide seo2  
981 SeO2+ Selenium dioxide cation seo2+  
982 TeO2 Tellurium Dioxide teo2  
983 HCCO ketenyl radical ketenyl  
984 CS2H+ Carbon disulfide, protonated cs2h+  
985 HCNO fulminic acid hcno  
986 HNCO Isocyanic acid hnco  
987 HOCN cyanic acid hocn  
988 HNCS Isothiocyanic acid hncs  
989 HSCN thiocyanic acid hscn  
990 HCO2- formate anion hco2-  
991 HNNO nitrosoazane hnno  
992 HNNO+ Nitrous oxide, N-protonated hnno+  
993 NNOH+ Nitrous Oxide, O-protonated nnoh+  
994 HCOO formate neutral radical hcoo  
995 HOCO Hydrocarboxyl radical hoco  
996 HOCO+ Hydrocarboxyl cation hoco+  
997 HNO2 Nitrous acid hno2  
998 HNO2+ nitrous acid cation hno2+  
999 O3H+ protonated ozone o3h+  
1000 SO2H+ protonated sulfur dioxide so2h+  
1001 C2H2O Oxirene oxirene  
1002 CH2CO Ketene ch2co  
1003 CH2CO+ Ketene cation ch2co+  
1004 HCCOH ethynol hccoh  
1005 CH2CS Thioketene ch2cs  
1006 Be(OH)2 Beryllium hydroxide beo2h2  
1007 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1008 NH2NO Nitrosamide nh2no  
1009 CH2O2 Dioxirane diox  
1010 H2COO Dioxymethyl radical h2coo  
1011 H2COO+ dioxymethyl cation h2coo+  
1012 HCOOH Formic acid ch2o2  
1013 H2O3 Hydrogen trioxide h2o3  
1014 HSSSH trisulfane hsssh  
1015 NaOCH3 Sodium methoxide naoch3  
1016 CH2BOH hydroxy(methylene)borane ch2boh  
1017 BH3CO Borane carbonyl bh3co  
1018 CH3BO Borane, methyloxo- ch3bo  
1019 CH2CHO Vinyloxy radical ch2cho  
1020 CH2COH+ ketene, protonated ch2coh+  
1021 CH3CO Acetyl radical ch3co  
1022 CH3CO- Acetyl anion ch3co-  
1023 CH3CO+ acetyl cation ch3co+  
1024 CH2NOH formaldoxime ch2noh  
1025 CH3NO nitrosomethane ch3no  
1026 CHONH2 formamide formamide  
1027 CNOH3 1,2-oxaziridine cnoh3  
1028 HOCHNH hydroxymethylimine hochnh  
1029 CHSNH2 thioformamide chsnh2  
1030 NHCHSH Methanimidothioic acid nhchsh  
1031 CH2OOH CH2OOH radical ch2ooh  
1032 CH3OO methylperoxy radical ch3oo  
1033 CH3OO- methylperoxy anion ch3oo-  
1034 CH3OO+ methylperoxy cation ch3oo+  
1035 C2H4O Ethylene oxide c2h4o  
1036 C2H4O+ ethylene oxide cation c2h4o+  
1037 CH2CHOH ethenol ch2choh  
1038 CH3CHO Acetaldehyde ch3cho  
1039 CH3CHO+ acetaldehyde cation ch3cho+  
1040 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1041 C2H4S Thiirane thiirane  
1042 CH2CHSH Ethenethiol ch2chsh  
1043 CH3CHS Thioacetaldehyde ch3chs  
1044 H2CONH2+ protonated formamide h2conh2+  
1045 NH2CHOH+ Formamide, O-protonated nh2choh+  
1046 NH3CHO+ Formamide, N-Protonated nh3cho+  
1047 CH2(OH)2 methanediol ch2o2h2  
1048 CH3OOH Methyl peroxide ch3ooh  
1049 CH3SSH Hydrogen methyl disulfide ch3ssh  
1050 HSCH2SH Methanedithiol ch4s2  
1051 H2OH2CO water formaldehyde dimer h2oh2co  
1052 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1053 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1054 CH3CH2O Ethoxy radical ethoxy  
1055 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1056 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1057 CH3OCH2 methoxymethyl radical ch3och2  
1058 NH2CH2OH aminomethanol nh2ch2oh  
1059 CH3CH2OH Ethanol etoh  
1060 CH3OCH3 Dimethyl ether meome  
1061 CH3CH2SH ethanethiol etsh  
1062 CH3SCH3 Dimethyl sulfide mesme  
1063 CH3SCH3+ dimethyl sulfide cation mesme+  
1064 CH3SeCH3 dimethylselenide dmse  
1065 CH3OHH2O methanol water dimer ch3ohh2o  
1066 H2OCH3OH water methanol dimer h2och3oh  
1067 CuF2 Copper difluoride cuf2  
1068 ZnF2 Zinc difluoride znf2  
1069 CNF iso cyanogen fluoride cnf  
1070 FCN Cyanogen fluoride fcn  
1071 ClCN chlorocyanogen clcn  
1072 BrCN Cyanogen bromide brcn  
1073 ICN Cyanogen iodide icn  
1074 FBO Boron monofluoride monoxide fbo  
1075 BeF2 Beryllium fluoride bef2  
1076 MgF2 Magnesium fluoride mgf2  
1077 BeCl2 Beryllium chloride becl2  
1078 MgCl2 Magnesium dichloride mgcl2  
1079 CaCl2 Calcium Chloride cacl2  
1080 ZnCl2 Zinc dichloride zncl2  
1081 BeBr2 Beryllium bromide bebr2  
1082 CaBr2 Calcium dibromide cabr2  
1083 CaF2 Calcium difluoride caf2  
1084 FCO Carbonyl fluoride fco  
1085 FCO+ Carbonyl fluoride cation fco+  
1086 ClCO carbonyl monochloride clco  
1087 BF2 Boron difluoride radical bf2  
1088 FNO Nitrosyl fluoride fno  
1089 ClNO Nitrosyl chloride clno  
1090 BrNO Nitrosyl bromide brno  
1091 INO Nitrosyl iodide ino  
1092 CF2 Difluoromethylene cf2  
1093 CF2- Difluoromethylene anion cf2-  
1094 CF2+ Difluoromethylene cation cf2+  
1095 CFCl chlorofluoromethylene cfcl  
1096 SiF2 Silicon difluoride sif2  
1097 SiF2+ Silicon difluoride cation sif2+  
1098 CCl2 dichloromethylene ccl2  
1099 CCl2- dichloromethylene anion ccl2-  
1100 CCl2+ dichloromethylene cation ccl2+  
1101 SiCl2 Dichlorosilylene sicl2  
1102 GeF2 Germanium difluoride gef2  
1103 GeCl2 Germanium dichloride gecl2  
1104 CBr2 dibromomethylene cbr2  
1105 FOO Dioxygen monofluoride radical foo  
1106 FOO+ Fluorine dioxide cation foo+  
1107 ClOO chloroperoxy radical cloo  
1108 ClOO+ chloroperoxy cation cloo+  
1109 OClO- Chlorine dioxide anion oclo-  
1110 OClO+ Chlorine dioxide cation oclo+  
1111 ClSO Sulfur chloride oxide clso  
1112 ClS2 Sulfur chloride cls2  
1113 BrOO Bromine dioxide broo  
1114 OBrO Bromine dioxide radical obro  
1115 NF2 Difluoroamino radical nf2  
1116 NF2+ Difluoroamino cation nf2+  
1117 PF2 Phosphorus difluoride pf2  
1118 PF2+ Phosphorus difluoride cation pf2+  
1119 F2O Difluorine monoxide f2o  
1120 SF2 sulfur difluoride sf2  
1121 SF2- sulfur difluoride anion sf2-  
1122 SF2+ sulfur difluoride cation sf2+  
1123 Cl2O Dichlorine monoxide cl2o  
1124 SCl2 Sulfur dichloride scl2  
1125 SeF2 Selenium difluoride sef2  
1126 BrOCl Bromine hypochlorite brocl  
1127 SeCl2 Selenium Dichloride secl2  
1128 SBr2 Sulfur dibromide sbr2  
1129 SeBr2 Selenium dibromide sebr2  
1130 BrOBr Bromine oxide brobr  
1131 F3- trifluoride anion f3-  
1132 Cl3- trichloride anion cl3-  
1133 Br3- tribromide anion br3-  
1134 I3- triiodide i3-  
1135 SFCl Sulfur chloride fluoride sfcl  
1136 HCCF Fluoroacetylene hccf  
1137 HCCF+ fluoroacetylene cation hccf+  
1138 HCCCl Chloroacetylene hcccl  
1139 HCCBr bromoacetylene hccbr  
1140 HFCO formyl fluoride hfco  
1141 HFCO+ formyl fluoride cation hfco+  
1142 COHCl Formyl chloride cohcl  
1143 COHBr Formyl bromide cohbr  
1144 BHF2 Difluoroborane bhf2  
1145 BHCl2 Borane, dichloro- bhcl2  
1146 CHCl2 dichloromethyl radical chcl2  
1147 CHF2 difluoromethyl radical chf2  
1148 CHF2+ difluoromethyl cation chf2+  
1149 CHFCl Chlorofluoromethyl radical chfcl  
1150 CHFCl+ Chlorofluoromethyl cation chfcl+  
1151 CHCl2+ dichloromethyl cation chcl2+  
1152 CHBr2 dibromomethyl radical chbr2  
1153 HOClO Chlorous acid hoclo  
1154 NHF2 difluoramine nhf2  
1155 NHCl2 dichloroamine nhcl2  
1156 CH2F2 Methane, difluoro- ch2f2  
1157 CH2FCl fluorochloromethane ch2fcl  
1158 SiH2F2 difluorosilane sih2f2  
1159 CH2Cl2 Methylene chloride ch2cl2  
1160 CH2BrF Methane, bromofluoro- ch2fbr  
1161 CH2BrCl Methane, bromochloro- ch2clbr  
1162 CH2FI fluoroiodomethane ch2fi  
1163 CH2Br2 dibromomethane ch2br2  
1164 CH2ClI chloroiodomethane ch2cli  
1165 CH2BrI bromoiodomethane ch2bri  
1166 CH2I2 Diiodomethane ch2i2  
1167 SiH2Cl2 dichlorosilane sih2cl2  
1168 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1169 CH2CHF Ethene, fluoro- ch2chf  
1170 CH2CHF+ fluoroethene cation ch2chf+  
1171 C2H3Cl Ethene, chloro- ch2chcl  
1172 C2H3Br vinyl bromide c2h3br  
1173 C2H3I Vinyl iodide c2h3i  
1174 CH2FOH fluoromethanol ch2foh  
1175 CH3OCl methyl hypochlorite ch3ocl  
1176 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1177 CHClCH3 1-chloroethyl radical chclch3  
1178 C2H5F fluoroethane c2h5f  
1179 CH3CH2Cl Ethyl chloride c2h5cl  
1180 CH3SiFH2 fluoromethylsilane ch3sifh2  
1181 C2H5Br Ethyl bromide etbr  
1182 C2H5I Ethyl iodide c2h5i  
1183 KrF2 Krypton difluoride krf2  
1184 XeF2 Xenon difluoride xef2  
1185 B4H10 Tetraborane(10) b4h10  
1186 C4 Carbon tetramer c4  
1187 C4+ Carbon tetramer cation c4+  
1188 C4H2 Diacetylene c4h2  
1189 C4H2+ diacetlyene cation c4h2+  
1190 C2H3CCH 1-Buten-3-yne c2h3cch  
1191 C4H4 cyclobutadiene cbd  
1192 C4H4 Tetrahedrane c4h4  
1193 H2CCCCH2 Butatriene h2cccch2  
1194 C4H6 1-Methylcyclopropene c3100047  
1195 C4H6 Cyclobutene c822355  
1196 C4H6 Methylenecyclopropane c6142730  
1197 CH2CCHCH3 1,2-Butadiene butad12  
1198 CH2CHCHCH2 1,3-Butadiene c106990  
1199 CH3CCCH3 2-Butyne c503173  
1200 CHCCH2CH3 1-Butyne c107006  
1201 CH3CHCHCH2 methylallyl radical c4h7  
1202 C4H8 methylcyclopropane mcp  
1203 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1204 CH2CHCH2CH3 1-Butene bute1  
1205 CH3CHCHCH3 2-Butene, (E)- bute2e  
1206 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1207 B(CH3)3 trimethylborane bme3  
1208 Al(CH3)3 trimethyl aluminum tma  
1209 C(CH3)3 Tert-butyl radical tbutyl  
1210 CH2CH(CH3)2 Isobutyl radical isobutyl  
1211 CH3CHCH2CH3 2-Butyl radical butyl2  
1212 CH3CH(CH3)CH3 Isobutane isobutane  
1213 CH3CH2CH2CH3 Butane butane  
1214 SiH(CH3)3 trimethylsilane trimsi  
1215 Li3N trilithium nitride li3n  
1216 C2N2 Cyanogen c2n2  
1217 C2N2+ Cyanogen cation c2n2+  
1218 P4 Phosphorus tetramer p4  
1219 As4 Arsenic tetramer as4  
1220 HCCCN Cyanoacetylene hcccn  
1221 HCCCN+ Cyanoacetylene cation hcccn+  
1222 H2CNCN cyanamide, methylene ch2ncn  
1223 HNCCNH Ethenediimine hnccnh  
1224 C3H3N acrylonitrile ch2chcn  
1225 C3H3N+ acrylonitrile cation ch2chcn+  
1226 CH3N3 methyl azide ch3n3  
1227 NH2CCNH2 Diaminoacetylene daa  
1228 NH2CH2CN Aminoacetonitrile aan  
1229 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1230 C2H5CN ethyl cyanide c2h5cn  
1231 CH5N3 Guanidine guanidine  
1232 C4H6 Bicyclo[1.1.0]butane c157335  
1233 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1234 H2NCHCHNH2 diaminoethylene dae  
1235 CH6N3+ guanidinium ch6n3+  
1236 C3H7N Cyclopropylamine cpram  
1237 CH7N3 triaminomethane tam  
1238 C3H7N Azetidine azet  
1239 C4H8 cyclobutane cbutane  
1240 C2H8N2 Ethylenediamine ethdiam  
1241 CH3NHNHCH3 dimethyl hydrazine dmh  
1242 CH3CH(NH2)CH3 2-Propanamine pram2  
1243 N(CH3)3 Trimethylamine trimeam  
1244 NH2CH2CH2CH3 1-Propanamine pram1  
1245 P(CH3)3 trimethylphosphine tmp  
1246 N(SiH3)3 trisilylamine tsa  
1247 As(CH3)3 trimethyl arsine tmas  
1248 (CH3)3NH+ protonated trimethyl amine ptma  
1249 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1250 Li2O2 dilithium dioxide li2o2  
1251 Na2O2 disodium dioxide na2o2  
1252 K2O2 dipotassium dioxide k2o2  
1253 C3O Tricarbon monoxide c3o  
1254 B2O2 Diboron dioxide b2o2  
1255 ONNO NO dimer onno  
1256 CO3 Carbon trioxide co3  
1257 CO3-- carbonate co3--  
1258 CS3-- Carbonotrithioate cs3--  
1259 NO3 Nitrogen trioxide no3  
1260 NO3- nitrate anion no3-  
1261 NO3+ nitrogen trioxide cation no3+  
1262 SO3 Sulfur trioxide so3  
1263 SO3- Sulfur trioxide anion so3-  
1264 SO3-- Sulfate dianion so3--  
1265 SO3+ Sulfur trioxide cation so3+  
1266 SeO3 selenium trioxide seo3  
1267 S4 Sulfur tetramer s4  
1268 TeO3 Tellurium trioxide teo3  
1269 HCO3- bicarbonate anion hco3-  
1270 HNO3 Nitric acid hno3  
1271 HSO3 Hydroxysulfonyl radical hso3  
1272 NH2NO2 nitramide nh2no2  
1273 C2H2CO cyclopropenone c2h2co  
1274 C3H2O Propadienal c3h2o  
1275 HCCCHO 2-propynal hcccho  
1276 C2H2O2 Ethanedial c2h2o2  
1277 C2H2O2+ Ethanedial cation c2h2o2+  
1278 H2CO3 Carbonic acid h2co3  
1279 H2CS3 thiocarbonic acid h2cs3  
1280 H2NO3+ Nitric Acid, Protonated h2no3+  
1281 H2SO3 Sulfurous acid h2so3  
1282 C2H3NO Nitrosoethylene c2h3no  
1283 CH3NCO methylisocyante ch3nco  
1284 HOCH2CN cyanomethanol hoch2cn  
1285 CH3COO- acetate anion ch3coo-  
1286 CH3NO2 Methane, nitro- ch3no2  
1287 CH3ONO Methyl nitrite ch3ono  
1288 NH2COOH Carbamic acid nh2cooh  
1289 H3BO3 Boric acid h3bo3  
1290 H3AlO3 Aluminum hydroxide h3alo3  
1291 H3CO3+ carbonic acid, protonated h3co3+  
1292 C3H4O 2-Propyn-1-ol c107197  
1293 C3H4O allenol c9000071  
1294 C3H4O Cyclopropanone cpone  
1295 C3H4O Methylketene c6004440  
1296 CH2CHCHO Acrolein c3h4o  
1297 NH2CONH2 Urea urea  
1298 NH2CONH2+ Urea cation urea+  
1299 NH2CSNH2 Thiourea thiourea  
1300 C2H4O2 1,3-dioxetane c2h4o2  
1301 CH3COOH Acetic acid ch3cooh  
1302 CH3OCHO methyl formate ch3ocho  
1303 CHOCH2OH hydroxy acetaldehyde haa  
1304 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1305 NH3COOH+ protonated Carbamic acid nh3cooh+  
1306 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1307 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1308 HCOOHH2O Formic acid water dimer hcoohh2o  
1309 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1310 CH3COCH2 Acetonyl radical ch3coch2  
1311 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1312 CH3C(OH)=NH Ethaninidic acid eia  
1313 CH3CHNOH Acetaldoxime acetaldoxime  
1314 CH3CONH2 Acetamide acetamide  
1315 HCONHCH3 N-methylformamide nmfa  
1316 CH3CSNH2 Ethanethioamide ch3csnh2  
1317 CH5N2O+ urea, N-protonated ch4n2o+  
1318 H2NCOHNH2+ urea, protonated ureah+  
1319 C2H5OO ethylperoxy radical c2h5oo  
1320 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1321 C3H5OH Cyclopropanol cproh  
1322 C3H6O 2-Propen-1-ol c107186  
1323 C3H6O Acetone enol enol  
1324 C3H6O Oxetane oxetane  
1325 C3H6O Propylene oxide prox  
1326 CH3CH2CHO Propanal propanal  
1327 CH3COCH3 Acetone acetone  
1328 CH3COCH3- acetone anion ch3coch3-  
1329 C3H6S Thietane thietane  
1330 C3H6S Thiirane, methyl- methiirane  
1331 CH3CSCH3 Thioacetone ch3csch3  
1332 C2H6O2 1,2-Ethanediol ethdiol  
1333 CH3OOCH3 dimethylperoxide dmp  
1334 CH3SOCH3 Dimethyl sulfoxide dmso  
1335 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1336 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1337 CH3COHCH3+ acetone, protonated acetoneh+  
1338 HOCH2CH2NH2 monoethanolamine mea  
1339 C3H7OH 1-Propanol proh  
1340 CH3CHOHCH3 Isopropyl alcohol isoproh  
1341 CH3OC2H5 Ethane, methoxy- etome  
1342 C3H7SH 1-Propanethiol prsh  
1343 CH3CHSHCH3 2-Propanethiol isoprsh  
1344 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1345 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1346 Li2F2 Lithium fluoride dimer li2f2  
1347 Na2F2 Sodium Fluoride Dimer na2f2  
1348 Na2Cl2 Disodium dichloride na2cl2  
1349 C2F2 difluoroacetylene c2f2  
1350 C2Cl2 dichloroacetylene c2cl2  
1351 C2Cl2+ dichloroacetylene cation c2cl2+  
1352 FNO2 Nitryl fluoride fno2  
1353 FONO Nitrosyl hypofluorite fono  
1354 ClNO2 Nitryl chloride clno2  
1355 ClONO chlorine nitrite clono  
1356 BrONO Bromine nitrite brono  
1357 N2F2 (Z)-Difluorodiazene n2f2_z  
1358 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1359 CF2O Carbonic difluoride f2co  
1360 CF2O+ Carbonic difluoride cation f2co+  
1361 COFCl Carbonic chloride fluoride cofcl  
1362 CCl2O Phosgene cl2co  
1363 Cl2CS Thiophosgene cl2cs  
1364 COBr2 Carbonic dibromide cobr2  
1365 BF3 Borane, trifluoro- bf3  
1366 BF3- Borane, trifluoro- anion bf3-  
1367 BF3+ boron trifluoride cation bf3+  
1368 AlF3 Aluminum trifluoride alf3  
1369 BClF2 Chlorodifluoroborane bclf2  
1370 AlF2Cl Aluminum chloride difluoride alclf2  
1371 ScF3 Scandium trifluoride ScF3  
1372 AlFCl2 Aluminum dichloride fluoride alcl2f  
1373 BCl3 Borane, trichloro- bcl3  
1374 BCl3+ Boron Trichloride cation bcl3+  
1375 GaF3 Gallium trifluoride gaf3  
1376 AlCl3 Aluminum trichloride alcl3  
1377 GaCl3 Gallium trichloride gacl3  
1378 BBr3 Boron tribromide bbr3  
1379 AlBr3 Aluminum Bromide albr3  
1380 ClO3 Chlorine trioxide clo3  
1381 ClO3- chlorate anion clo3-  
1382 BrO3- Bromate anion bro3-  
1383 CF3 Trifluoromethyl radical cf3  
1384 CF3- Trifluoromethyl anion cf3-  
1385 CF3+ Trifluoromethyl cation cf3+  
1386 CF2Cl difluorochloromethyl radical cf2cl  
1387 SiF3 Silicon trifluoride radical sif3  
1388 SiF3+ Silicon trifluoride cation sif3+  
1389 CFCl2 dichlorofluoromethyl radical cfcl2  
1390 CCl3 Trichloromethyl radical ccl3  
1391 CCl3- Trichloromethyl anion ccl3-  
1392 CCl3+ Trichloromethyl cation ccl3+  
1393 SiCl3 trichlorosilyl radical sicl3  
1394 SiCl3+ trichlorosilyl cation sicl3+  
1395 CBr3 tribromomethyl radical cbr3  
1396 FOOF Perfluoroperoxide foof  
1397 F2SO Thionyl Fluoride f2so  
1398 ClOOCl Dichlorine dioxide cloocl  
1399 FSSF Difluorodisulfane fssf  
1400 S2F2 Thio-thionyl fluoride s2f2  
1401 SOCl2 thionyl chloride socl2  
1402 SSCl2 Thiothionyl chloride sscl2  
1403 SeOCl2 selenium oxychloride seocl2  
1404 NF3 Nitrogen trifluoride nf3  
1405 NF3- Nitrogen trifluoride anion nf3-  
1406 NF3+ Nitrogen trifluoride cation nf3+  
1407 PF3 Phosphorus trifluoride pf3  
1408 NCl3 nitrogen trichloride ncl3  
1409 AsF3 Arsenic trifluoride asf3  
1410 PCl3 Phosphorus trichloride pcl3  
1411 SbF3 Antimony Trifluoride sbf3  
1412 AsCl3 Arsenous trichloride ascl3  
1413 SbCl3 Antimony Trichloride sbcl3  
1414 NBr3 Nitrogen Tribromide nbr3  
1415 PBr3 Phosphorus tribromide pbr3  
1416 AsBr3 Arsenic tribromide asbr3  
1417 NI3 Nitrogen triiodide ni3  
1418 PI3 Phosphorus triiodide pi3  
1419 ClSSCl Disulfur dichloride s2cl2  
1420 SF3 Sulfur trifluoride sf3  
1421 ClF3 Chlorine trifluoride clf3  
1422 BrF3 Bromine trifluoride brf3  
1423 IF3 iodone trifluoride if3  
1424 HClO3 Chloric Acid hclo3  
1425 CHF3 Methane, trifluoro- chf3  
1426 CHF2Cl difluorochloromethane chf2cl  
1427 SiHF3 trifluorosilane sihf3  
1428 CHFCl2 fluorodichloromethane chfcl2  
1429 CDCl3 trichloromethane-d cdcl3  
1430 CHCl3 Chloroform chcl3  
1431 CHBrF2 Methane, bromodifluoro- chbrf2  
1432 SiHCl3 Trichlorosilane sihcl3  
1433 CHFClBr fluorochlorobromomethane chfclbr  
1434 CHBrCl2 Methane, bromodichloro- chbrcl2  
1435 CHF2I difluoroiodomethane chf2i  
1436 CHBr2F dibromofluoromethane chbr2f  
1437 CHFClI fluorochloroiodomethane chfcli  
1438 CHCl2I dichloroiodomethane chcl2i  
1439 CHClBr2 Methane, dibromochloro- chclbr2  
1440 CHBr3 bromoform chbr3  
1441 CHI3 Iodoform chi3  
1442 NF3H+ protonated nitrogen trifluoride nf3h+  
1443 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1444 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1445 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1446 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1447 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1448 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1449 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1450 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1451 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1452 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1453 C2H2Br2 1,1-dibromoethene c2h2br2  
1454 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1455 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1456 CH2FCHO Fluoroacetaldehyde ch2fcho  
1457 CH3COF Acetyl fluoride ch3cof  
1458 CH2ClCHO chloroacetaldehyde ch2clcho  
1459 CH3COCl Acetyl Chloride ch3cocl  
1460 C2H4F2 1,2-difluoroethane c2h4f2  
1461 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1462 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1463 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1464 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1465 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1466 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1467 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1468 CH2CFCH3 2-fluoropropene 2fpro  
1469 CH2CHCH2F Allyl Fluoride allylf  
1470 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1471 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1472 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1473 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1474 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1475 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1476 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1477 CH2FCH2CH3 1-Fluoropropane prf1  
1478 CH3CHFCH3 2-Fluoropropane prf2  
1479 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1480 CH3CHClCH3 Propane, 2-chloro- prcl2  
1481 CH3CH2CH2Br n-propyl bromide prbr  
1482 CH3CHBrCH3 i-propyl bromide iprbr  
1483 C3H9O+ trimethyl oxonium cation c3h9o+  
1484 B5H9 pentaborane9 b5h9  
1485 C5H4 pentatetraene ptrene  
1486 C5H5 cyclopentadienyl radical c5h5  
1487 C5H5- cylopentadienyl anion c5h5-  
1488 C5H6 1,3-Cyclopentadiene c542927  
1489 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1490 C5H6 3-Penten-1-yne, (E)- c2004695  
1491 C5H6 3-Penten-1-yne, (Z)- c1574409  
1492 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1493 C5H6 Cyclopropylacetylene c6746947  
1494 C5H6 Propellane propellane  
1495 C5H7 1,3-pentadienyl radical pdyl  
1496 C5H7 cyclopentenyl radical cpyl  
1497 C5H8 1,2-Butadiene, 3-methyl- c598254  
1498 C5H8 1,2-Pentadiene c591957  
1499 C5H8 1,3-Butadiene, 2-methyl- c78795  
1500 C5H8 1,3-Pentadiene, (E)- c2004708  
1501 C5H8 1,3-Pentadiene, (Z)- c1574410  
1502 C5H8 1,4-Pentadiene c591935  
1503 C5H8 1-pentyne a1pentyne  
1504 C5H8 2,3-Pentadiene c591968  
1505 C5H8 Bicyclo[1.1.1]pentane bcp  
1506 C5H8 Cyclobutane, methylene- c1120565  
1507 C5H8 Cyclopentene c142290  
1508 C5H8 Ethenylcyclopropane c693867  
1509 CH3CCCH2CH3 2-Pentyne 2pentyne  
1510 C5H10 1-Butene, 2-methyl- c563462  
1511 C5H10 2-Butene, 2-methyl- c513359  
1512 C5H10 2-Pentene, (E)- c646048  
1513 C5H10 2-Pentene, (Z)- c627203  
1514 C5H10 Cyclopentane c287923  
1515 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1516 CH2CHCH2CH2CH3 1-pentene pentene  
1517 C5H11 2-Methylbut-2-yl radical c4348350  
1518 C5H12 Butane, 2-methyl- buta2  
1519 C5H12 Pentane pentane  
1520 C5H12 Propane, 2,2-dimethyl- neopentane  
1521 Si(CH3)4 tetramethylsilane tms  
1522 N2O3 Dinitrogen trioxide n2o3  
1523 C3H2N2 Malononitrile c3h2n2  
1524 CH2N4 1H-Tetrazole 1htz  
1525 C3H3N2 imidazolyl radical im  
1526 C3H3N2- imidizolyl anion im-  
1527 C2H3N3 1H-1,2,4-Triazole c288880  
1528 C4H4N pyrrolide radical c4h4n  
1529 C4H4N- pyrrolide anion c4h4n-  
1530 C3H4N2 1H-Imidazole 1himidaz  
1531 C3H4N2 1H-Pyrazole 1hpyraz  
1532 C3H4N2 2H-Imidazole imid2h  
1533 C3H4N2 4H-Imidazole imid4h  
1534 C4H5N (E)-2-Butenenitrile c627269  
1535 C4H5N (Z)-2-Butenenitrile c1190767  
1536 C4H5N 2H-pyrrole pyrrole2  
1537 C4H5N 3H-pyrrole pyrrole3  
1538 C4H5N Cyclopropanecarbonitrile c5500210  
1539 C4H5N Pyrrole pyrrole  
1540 CH2CHCH2CN Allylcyanide ch2chch2cn  
1541 C4H6N+ pyrrole, alpha-protonated appyr  
1542 C4H6N+ pyrrole, beta-protonated bppyr  
1543 C4H6N+ pyrrole, protonated ppyr  
1544 C3H6N2 3-Aminopropionitrile c151188  
1545 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1546 CH3CH2CH2CN Butanenitrile c109740  
1547 C5H8 Bicyclo[2.1.0]pentane c185944  
1548 C5H8 Spiropentane c157404  
1549 C4H9N Cyclobutylamine cbam  
1550 C4H9N Pyrrolidine pyrrolidine  
1551 C3H10N2 1,2-Diaminopropane diampr12  
1552 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1553 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1554 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1555 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1556 NH(C2H5)2 diethylamine dea  
1557 NC4H12+ tetramethyl ammonium cation nc4h12+  
1558 C3O2 Carbon suboxide c3o2  
1559 C3O2+ Carbon suboxide cation c3o2+  
1560 B2O3 diboron trioxide b2o3  
1561 MgCO3 Magnesium Carbonate mgco3  
1562 BeCO3 Beryllium Carbonate beco3  
1563 CaCO3 Calcium Carbonate caco3  
1564 ONONO Nitrosyl nitrite onono  
1565 PO4--- phosphate po4---  
1566 SO4-- sulfate so4--  
1567 HOONO2 peroxy nitric acid hoono2  
1568 HSO4- bisulfate anion hso4-  
1569 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1570 C3H2O2 Propiolic acid c3h2o2  
1571 CHOCOOH oxo acetic acid oaa  
1572 CHOOCHO diformyl ether choocho  
1573 H2SO4 Sulfuric acid h2so4  
1574 H2SeO4 Selenic acid h2seo4  
1575 C3H3NO Isoxazole isox  
1576 C3H3NO Oxazole oxazole  
1577 C3H3NS Thiazole thiazole  
1578 CH3C(O)OO acetyl peroxy radical ch3coo2  
1579 CH3NO3 Methyl nitrate ch3no3  
1580 H3PO4 Phosphoric Acid h3po4  
1581 C4H4O Furan furan  
1582 C4H4O+ Furan cation furan+  
1583 CH3COCCH 3-butyn-2-one c1423605  
1584 C4H4S Thiophene furans  
1585 C4H4Se selenophene c4h4se  
1586 C3H4O2 β–Propiolactone beta  
1587 C3H4O2 2-Propenoic acid propenoic2  
1588 C3H4O2 Methyl glyoxal megly  
1589 C3H4O2 propanedial propanedial  
1590 C3H4O2 propenalol propenalol  
1591 HOCHCCHOH allenediol aldiol  
1592 C2H4O3 1,2,3-trioxolane c2h4o3  
1593 C2H4O3 trioxolane124 triox  
1594 HOCH2COOH Hydroxyacetic acid hac  
1595 CH2CHCONH2 Acrylamide c79061  
1596 CH3OCH2CN Methoxyacetonitrile c1738369  
1597 CH5N3S Hydrazinecarbothioamide c79196  
1598 H2NCH2COOH Glycine glycine  
1599 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1600 C4H6O cis-2-butenal butenal2c  
1601 C4H6O Cyclobutanone cbutone  
1602 C4H6O Furan, 2,3-dihydro- furan23h  
1603 C4H6O Furan, 2,5-dihydro- furan25h  
1604 CH2CHOCHCH2 Vinyl ether vinylether  
1605 CHOCHCHCH3 2-Butenal butenal2  
1606 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1607 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1608 CH2CHSCHCH2 Divinyl sulfide divis  
1609 C2H6N2O Urea, methyl- c598505  
1610 C3H6O2 1,3-Dioxolane dioxolane  
1611 CH3CH2COOH Propanoic Acid propanoic  
1612 CH3COOCH3 methyl acetate aame  
1613 HCOOC2H5 Ethyl formate faee  
1614 C2H6O2S Dimethyl sulfone c67710  
1615 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1616 C3H7NO dimethylformamide dmf  
1617 C3H7NO Propanamide propanam  
1618 C2H3OC2H5 Ethene, ethoxy- c109922  
1619 C4H8O Cyclobutanol c2919235  
1620 C4H8O Furan, tetrahydro- thf  
1621 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1622 CH3COCH2CH3 2-Butanone buta2one  
1623 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1624 CHOCH2CH2CH3 Butanal butanal  
1625 C4H8S Thiophene, tetrahydro- tht  
1626 C3H8O2 1,3-Propanediol c504632  
1627 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1628 C3H8O2 Methane, dimethoxy- c109875  
1629 C3H8O2 Propylene glycol c57556  
1630 C3H8S2 1,3-Propanedithiol c109808  
1631 C4H10O 1-Butanol butanol1  
1632 C4H10O 1-Propanol, 2-methyl- c78831  
1633 C4H10O 2-Butanol, (.+/-.)- butanol2  
1634 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1635 C4H10O Ethoxy ethane etoet  
1636 C4H10O Methyl propyl ether meopr  
1637 C4H10O Propane, 2-methoxy- c598538  
1638 C4H10O+ 1-Butanol cation butanol1+  
1639 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1640 C2H5SC2H5 Diethyl sulfide etset  
1641 C4H9SH 1-Butanethiol bush  
1642 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1643 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1644 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1645 FNO3 Fluorine nitrate fno3  
1646 ClONO2 Chlorine nitrate clono2  
1647 BrONO2 Bromine nitrate brono2  
1648 TiCl4 Titanium tetrachloride ticl4  
1649 ClO4- perchlorate anion clo4-  
1650 BF4- tetrafluoroboron anion bf4-  
1651 ClFO3 Perchloryl fluoride clfo3  
1652 SO2F2 Sulfuryl fluoride so2f2  
1653 SO2Cl2 Sulfuryl chloride so2cl2  
1654 F3NO Nitrogen trifluoride oxide f3no  
1655 F3PO Phosphoryl fluoride pf3o  
1656 Cl3PO Phosphoryl chloride pcl3o  
1657 CF4 Carbon tetrafluoride cf4  
1658 CF3Cl Methane, chlorotrifluoro- cf3cl  
1659 SiF4 Silicon tetrafluoride sif4  
1660 CF2Cl2 difluorodichloromethane cf2cl2  
1661 TiF4 Titanium tetrafluoride tif4  
1662 CFCl3 Trichloromonofluoromethane cfcl3  
1663 CF3Br Bromotrifluoromethane cf3br  
1664 GeF4 Germanium tetrafluoride gef4  
1665 CCl4 Carbon tetrachloride ccl4  
1666 CCl4+ Carbon tetrachloride cation ccl4+  
1667 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1668 SiCl4 Silane, tetrachloro- sicl4  
1669 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1670 CF3I trifluoroiodomethane cf3i  
1671 CBrCl3 Methane, bromotrichloro- cbrcl3  
1672 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1673 GeCl4 Germanium Tetrachloride gecl4  
1674 CBr2ClF dibromochlorofluoromethane cbr2clf  
1675 CBr2Cl2 dibromodichloromethane cbr2cl2  
1676 CCl3I trichloroiodomethane ccl3i  
1677 CFBr3 fluorotribromomethane cfbr3  
1678 CFClBrI fluorochlorobromoiodomethane cfclbri  
1679 CBr3Cl tribromochloromethane cbr3cl  
1680 CF2I2 difluorodiiodomethane cf2i2  
1681 CBr4 Carbon tetrabromide cbr4  
1682 CCl2I2 dichlorodiiodomethane ccl2i2  
1683 SiBr4 Silicon tetrabromide sibr4  
1684 CBr3I tribromoiododmethane cbr3i  
1685 GeBr4 Germanium tetrabromide gebr4  
1686 CI4 tetraiodomethane ci4  
1687 SiI4 silicon tetraiodide sii4  
1688 ClOF3 Chlorine trifluoride oxide clof3  
1689 SF4 Sulfur tetrafluoride sf4  
1690 SeF4 Selenium tetrafluoride sef4  
1691 SCl4 Sulfur tetrachloride scl4  
1692 C2HF3 Trifluoroethylene c2hf3  
1693 C2HF3+ Trifluoroethylene cation c2hf3+  
1694 CHClCCl2 Trichloroethylene chclccl2  
1695 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1696 HClO4 perchloric acid hclo4  
1697 HSO3F Fluorosulfonic acid hso3f  
1698 CF3OH trifluoromethanol cf3oh  
1699 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1700 CHClCCHCl 1,3-dichloroallene chclcchcl  
1701 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1702 CHCl2CHO dichloroacetaldehyde chcl2cho  
1703 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1704 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1705 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1706 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1707 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1708 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1709 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1710 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1711 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1712 NH3BCl3 Amminetrichloroboron nh3bcl3  
1713 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1714 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1715 C3H5ClO Oxirane, (chloromethyl)- c106898  
1716 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1717 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1718 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1719 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1720 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1721 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1722 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1723 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1724 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1725 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1726 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1727 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1728 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1729 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1730 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1731 C4H9F 1-fluorobutane butaf1  
1732 CH3CHFCH2CH3 2-fluorobutane butaf2  
1733 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1734 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1735 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1736 XeF4 Xenon tetrafluoride xef4  
1737 C2H2N2O Furazan furazan  
1738 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1739 NH3BF3 Amminetrifluoroboron nh3bf3  
1740 C6H2 hexatriyne c6h2  
1741 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1742 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1743 C6H4 Benzyne benzyne  
1744 C6H5 phenyl phenyl  
1745 C6H5- phenyl anion phenyl-  
1746 C6H6 Prismane prismane  
1747 C6H6 1,2,4,5-Hexatetraene ht1245  
1748 C6H6 2,4-Hexadiyne hexadiyne  
1749 C6H6 3,4-Dimethylenecyclobutene cb34m  
1750 C6H6 Benzene benzene  
1751 C6H6 Benzvalene bv  
1752 C6H6 Dewar Benzene dewar  
1753 C6H6 Hexa-1,5-diene-3-yne hdy153  
1754 C6H6 Trimethylenecycopropane tmcp  
1755 C6H6+ Benzene cation c6h6+  
1756 C6H7+ benzene, protonated c6h7+  
1757 C6H8 (E)-hexa-1,3,5-triene c821078  
1758 C6H8 (E)-hexa-2,3,4-triene c59660650  
1759 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1760 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1761 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1762 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1763 C6H8 3-Methylenecyclopentene c930267  
1764 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1765 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1766 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1767 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1768 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1769 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1770 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1771 C6H10 1,5-Hexadiene c592427  
1772 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1773 C6H10 1-Hexyne hexyne1  
1774 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1775 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1776 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1777 C6H10 2-Hexyne c764352  
1778 C6H10 3-Hexyne hexyne3  
1779 C6H10 cyclohexene cyclohexene  
1780 C6H10 Cyclopentene, 1-methyl- c693890  
1781 C6H10 Cyclopentene, 3-methyl- c1120623  
1782 C6H10 Cyclopentene, 4-methyl- c1759815  
1783 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1784 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1785 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1786 C6H12 (E)-2-Hexene e2hexene  
1787 C6H12 (E)-3-methylpent-2-ene c616126  
1788 C6H12 (E)-hex-3-ene e3hexene  
1789 C6H12 (Z)-3-methylpent-2-ene c922623  
1790 C6H12 (Z)-hex-2-ene z2hexene  
1791 C6H12 (Z)-hex-3-ene z3hexene  
1792 C6H12 2,3-dimethylbut-1-ene c563780  
1793 C6H12 2,3-dimethyl-but-2-ene tmeet  
1794 C6H12 3-methylenepentane c760214  
1795 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1796 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1797 C6H12 Cyclohexane cyclohexane  
1798 C6H12 Cyclopentane, methyl- c96377  
1799 C6H12 Ethylcyclobutane c4806615  
1800 C6H12 hex-1-ene hexene1  
1801 C6H14 Butane, 2,2-dimethyl- buta22  
1802 C6H14 Butane, 2,3-dimethyl- buta23  
1803 C6H14 Hexane hexane  
1804 C6H14 Pentane, 2-methyl- penta2  
1805 C6H14 Pentane, 3-methyl- penta3  
1806 C4N2 2-Butynedinitrile c4n2  
1807 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1808 C4H2N2 Fumaronitrile c4h2n2  
1809 C2H2N4 sym-tetrazine ttz  
1810 C3H3N3 1,3,5-Triazine triazine135  
1811 CH3N5 5-Aminotetrazole c4418615  
1812 C4H4N2 1,3-Diazine diazine13  
1813 C4H4N2 Pyrazine pyrazine  
1814 C4H4N2 Pyridazine pyridazine  
1815 C4H4N2 Succinonitrile c110612  
1816 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1817 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1818 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1819 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1820 C5H5N E-2,4-pentadienenitrile bdcn  
1821 C5H5N Pyridine pyridine  
1822 B3N3H6 borazine borazine  
1823 C6H6 Fulvene fulvene  
1824 C5H6N+ Pyridinium c5h6n  
1825 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1826 C5H7N (E)-2-Pentenenitrile c26294984  
1827 C5H7N (E)-3-Pentenenitrile c16529661  
1828 C5H7N (Z)-2-Pentenenitrile c25899507  
1829 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1830 C5H7N Cyclobutanecarbonitrile c4426113  
1831 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1832 C5H9N Butanenitrile, 2-methyl- c18936179  
1833 C5H9N Pentanenitrile c110598  
1834 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1835 C6H10 Bicyclo[3.1.0]hexane c285585  
1836 C5H11N Cyclopentanamine cypentam  
1837 C5H11N Piperidine piper  
1838 C4H12N2 1,2-Butanediamine c4426486  
1839 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1840 Li2CO3 Lithium Carbonate li2co3  
1841 Na2CO3 Sodium Carbonate na2co3  
1842 C2O4-- oxalate anion c2o4  
1843 MgSO4 Magnesium Sulfate mgso4  
1844 N2O4 Dinitrogen tetroxide n2o4  
1845 C3H2O3 vinylene carbonate vica  
1846 C2H2O4 Oxalic Acid oxalic  
1847 C2H3NO3 Oxamic acid oxamic  
1848 C4H4O2 2(5H)-Furanone furanone  
1849 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1850 C2H4N2O2 Oxalamide oxalamide  
1851 C2H4N2S2 Ethanedithioamide c79403  
1852 C2H4CO3 Ethylene carbonate etco3  
1853 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1854 C3H4S3 1,3-Dithiolane-2-thione c822388  
1855 C2H4O4 Formic acid dimer fadimer  
1856 C4H5NO 3-Methylisoxazole isox3m  
1857 C4H5NO Isoxazole, 5-methyl- c5765446  
1858 C4H5NS 4-Methylthiazole c693958  
1859 C2H5NO3 Nitric acid, ethyl ester c625581  
1860 C5H6O 2H-Pyran pyran2  
1861 C5H6O 2-methylfuran furan2m  
1862 C5H6O 3-Methylfuran furan3m  
1863 C5H6O Pentadienal pdal  
1864 C5H6S Thiophene, 2-methyl- c554143  
1865 C5H6S Thiophene, 3-methyl- c616444  
1866 C4H6O2 γ–Butyrolactone c96480  
1867 C4H6O2 2,3-Butanedione c431038  
1868 C4H6O2 2-Propenoic acid, methyl ester c96333  
1869 C4H6O2 Crotonic Acid crot  
1870 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1871 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1872 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1873 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1874 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1875 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1876 C4H6OS Vinyl sulfoxide c1115157  
1877 CH6N4S Carbonothioic dihydrazide thiacarb  
1878 C2H6N2O2 (E)-Azodioxymethane c37765154  
1879 C2H6N2O2 Dimethylnitroamine c4164287  
1880 C3H6O3 1,3,5-Trioxane trioxane  
1881 C3H6S3 1,3,5-Trithiane c3h6s3  
1882 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1883 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1884 C4H7NO 2-Pyrrolidinone c616455  
1885 C4H7NO Ethoxyacetonitrile etoaccn  
1886 C4H7NO Methacrylamide c79390  
1887 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1888 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1889 C3H7ONO Propyl nitrite prono  
1890 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1891 CH3CH(NH2)COOH Alanine alanine  
1892 CH3NHCH2COOH Sarcosine sarcosine  
1893 NH2CH2CH2COOH β–alanine betaalanine  
1894 NH2COOC2H5 Urethane urethane  
1895 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1896 C5H8O Cyclopentanone c120923  
1897 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1898 C5H8O Methyl cyclopropyl ketone c765435  
1899 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1900 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1901 NH2CONHC2H5 Urea, ethyl- c625525  
1902 C4H8O2 1,3-Dioxane dioxan13  
1903 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1904 C4H8O2 1,4-Dioxane dioxan14  
1905 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1906 C4H8O2 Ethyl acetate c141786  
1907 C4H8OS s-Ethyl thioacetate c625605  
1908 C3H8O3 1,2,3-Propanetriol glycerin  
1909 C3H8O2S (Methylsulfonyl)ethane c594434  
1910 C4H9NO Butanamide c541355  
1911 C4H9NO Propanamide, 2-methyl- c563837  
1912 C5H10O 2-Butanone, 3-methyl- c563804  
1913 C5H10O 2H-Pyran, tetrahydro- c142687  
1914 C5H10O 2-methylbutyraldehyde 2meba  
1915 C5H10O 2-Pentanone mpk  
1916 C5H10O 3-Pentanone dek  
1917 C5H10O Cyclopentanol c96413  
1918 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1919 C5H10O Pentanal pal  
1920 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1921 C5H10S 3-Ethylthio-1-propene c5296628  
1922 C5H10S Cyclopentanethiol c1679078  
1923 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1924 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1925 C4H10O2 1,1-Dimethoxyethane c534156  
1926 C4H10O2 1,3-Butanediol budiol13  
1927 C4H10O2 1,4-Butanediol budiol14  
1928 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1929 C4H10OS Diethyl sulfoxide c70291  
1930 C4H10S2 1,4-Butanedithiol budisl14  
1931 C4H11NO Diethylhydroxylamine c3710847  
1932 C5H12O 1-Butanol, 2-methyl- c137326  
1933 C5H12O 1-Butanol, 3-methyl- c123513  
1934 C5H12O 1-Pentanol pentanol1  
1935 C5H12O 2-Butanol, 3-methyl- c598754  
1936 C5H12O 2-Pentanol peol2  
1937 C5H12O 3-Pentanol pentan3ol  
1938 C5H12O Butane, 1-methoxy- meobu  
1939 C5H12O Propane, 1-ethoxy- proet  
1940 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1941 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1942 C5H12S 1-Butanethiol, 3-methyl- c541311  
1943 C5H12S 1-Pentanethiol c110667  
1944 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1945 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1946 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1947 C5H12S Butane, 1-(methylthio)- c628295  
1948 C5H12S Ethyl propyl sulfide c4110503  
1949 C5H12S Propane, 2-(ethylthio)- c5145993  
1950 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1951 C4F2 difluorobutadiyne c4f2  
1952 ClCOClCO Oxalyl chloride oxcl  
1953 CF3CN Acetonitrile, trifluoro- cf3cn  
1954 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1955 B2F4 Diboron tetrafluoride b2f4  
1956 B2Cl4 Diboron tetrachloride b2cl4  
1957 C2F4 Tetrafluoroethylene c2f4  
1958 C2F4+ Tetrafluoroethylene cation c2f4+  
1959 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1960 CF2CCl2 difluorodichloroethylene cf2ccl2  
1961 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1962 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1963 C2FCl3 fluorotrichloroethene c2fcl3  
1964 C2Cl4 Tetrachloroethylene c2cl4  
1965 C2Br4 tetrabromoethene c2br4  
1966 CF3OF Trifluoromethylhypofluorite cf3of  
1967 SOF4 Sulfur tetrafluoride oxide sof4  
1968 PF5 Phosphorus pentafluoride pf5  
1969 AsF5 Arsenic pentafluoride asf5  
1970 PCl5 Phosphorus pentachloride pcl5  
1971 SF5 Sulfur pentafluoride sf5  
1972 SF5+ pentafluoro sulfur cation sf5+  
1973 SbCl5 Antimony pentachloride sbcl5  
1974 BrF5 bromine pentafluoride brf5  
1975 ClF5 chlorinepentafluoride clf5  
1976 IF5 pentafluoroiodine if5  
1977 CF3CHO trifluoroacetaldehyde cf3cho  
1978 CCl3CHO trichloroacetaldehyde ccl3cho  
1979 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1980 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1981 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1982 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1983 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1984 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1985 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1986 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1987 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1988 CF3COOH trifluoroacetic acid cf3cooh  
1989 C4H3ClO Furan, 2-chloro fur2cl  
1990 C4H3ClO Furan,3-chloro fur3cl  
1991 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1992 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1993 C4H8Cl2 1,4-Dichlorobutane c110565  
1994 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1995 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1996 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1997 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1998 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1999 C5H11Cl Pentane, 1-chloro- pencl1  
2000 C4H8O2 Butanoic acid bua  
2001 C6H5CH2 benzyl radical benzyl  
2002 C7H7 cycloheptatrienyl radical c7h7  
2003 C7H7+ cycloheptatrienyl cation c7h7+  
2004 C6H5CH3 toluene toluene  
2005 C7H8 cycloheptatriene cht  
2006 C7H8 Norbornadiene norbor  
2007 C7H8 Quadricyclane qucy  
2008 C7H12 Norbornane nor  
2009 C7H14 cycloheptane c7h14  
2010 C7H16 2-methylhexane 2mhex  
2011 C7H16 3-methylhexane hex3m  
2012 C7H16 heptane heptane  
2013 CH(CN)3 tricyanomethane mecn3  
2014 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2015 C6H7N 2-Methylpyridine mp  
2016 C6H5NH2 aniline aniline  
2017 C6H13N 2-Methylpiperidine pip2m  
2018 C6H13N cyclohexanamine cham  
2019 C6H15N triethylamine tea  
2020 N2O5 Dinitrogen pentoxide n2o5  
2021 C4H2O3 Maleic Anhydride malan  
2022 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2023 C5H4O2 furfural furfural  
2024 C6H5O phenoxy radical phenoxy  
2025 C5H5NO 2(1H)-Pyridinone c72762006  
2026 C5H5NO 2(3H)-Pyridinone c9000048  
2027 C5H5NO 2(5H)-Pyridinone c9000037  
2028 C5H5NO 2-Pyridinol c109104  
2029 C5H5NO 3(2H)-Pyridinone c9000004  
2030 C5H5NO 3(4H)-Pyridinone c9000026  
2031 C5H5NO 3(6H)-Pyridinone c9000015  
2032 C5H5NO 3-Pyridinol c109002  
2033 C5H5NO 4(1H)-Pryidinone c9000060  
2034 C5H5NO 4(3H)-Pryidinone c9000059  
2035 C5H5NO 4-Pyridinol c626642  
2036 C6H5OH phenol phenol  
2037 C6H6O 2,4-Cyclohexadienone c24599573  
2038 C6H6O 2,5-Cyclohexadienone c5664335  
2039 C6H5SH Benzenethiol phsh  
2040 HO2CCHNH2CH2OH Serine serine  
2041 C5H8O2 Acetylacetone acac  
2042 C4H8O2S Sulfolane sulfolane  
2043 C7H10 Norbornene norbornene  
2044 CH(C2H3)3 trivinyl methane tvm  
2045 C6H10O cyclohexanone chexo  
2046 C6H12O hexanal c6h12o  
2047 C6H12O Oxepane oxepane  
2048 C3H7OC3H7 di-n-propyl ether propr  
2049 F2CCCF2 tetrafluoroallene pfa  
2050 CF3COO- trifluoro acetate anion cf3coo-  
2051 CF3COF trifluoroacetyl fluoride cf3cof  
2052 CF3COCl trifluoroacetyl chloride cf3cocl  
2053 PF6 Hexafluorophosphate neutral pf6  
2054 PF6- Hexafluorophosphate ion pf6-  
2055 SF6 Sulfur Hexafluoride sf6  
2056 SeF6 Selenium hexafluoride sef6  
2057 SF5Cl sulfur chloropentafluoride sf5cl  
2058 CF3CHF2 pentafluoroethane cf3chf2  
2059 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2060 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2061 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2062 CCl3CHCl2 pentachloroethane ccl3chcl2  
2063 C6H5F Fluorobenzene bzf  
2064 C6H5Cl chlorobenzene bzcl  
2065 C6H5Br bromobenzene bzbr  
2066 C8H6 Calicene calicene  
2067 C6H5CCH phenylacetylene phac  
2068 C8H6 benzocyclobutadiene bcbd  
2069 C8H6 Pentalene pentalene  
2070 C6H5CHCH2 Styrene styrene  
2071 C8H8 cubane cubane  
2072 C8H8 cyclooctatetraene cot  
2073 C6H5CH2CH3 Ethylbenzene etbz  
2074 CH3C6H4CH3 meta-xylene mxylene  
2075 CH3C6H4CH3 paraxylene pxylene  
2076 C8H14 Bicyclo[2.2.2]octane bico222  
2077 C8H16 cyclooctane cyclooct  
2078 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2079 C8H18 Octane c8h18  
2080 C6H5CN phenyl cyanide phcn  
2081 C6H12N2 Triethylenediamine ted  
2082 C4O4-- squarate dianion c4o4--  
2083 S4N4 Tetrasulfur tetranitride s4n4  
2084 S8 Octasulfur s8  
2085 C6H4O2 parabenzoquinone pbq  
2086 C4H4N2O2 Uracil uracil  
2087 C6H5CHO benzaldehyde benzal  
2088 C6H5OCH3 Anisole anisole  
2089 C5H9NO2 Proline proline  
2090 C6H12O2 Methyl pivalate c598981  
2091 C6H12O2 Hexanoic acid hexa  
2092 C4F4 tetrafluorcyclobutadiene c4f4  
2093 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2094 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2095 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2096 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2097 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2098 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2099 C2F6 hexafluoroethane c2f6  
2100 C2Cl6 hexachloroethane c2cl6  
2101 IF7 Iodine heptafluoride if7  
2102 C6H4F2 metadifluorobenzene mdfb  
2103 C6H4F2 orthodifluorobenzene odfb  
2104 C6H4F2 1,4-difluorobenzene pdfb  
2105 C6H4Cl2 1,2-dichlorobenzene dcb12  
2106 C6H4Cl2 1,3-dichlorobenzene dcb13  
2107 C6H4Cl2 1,4-dichlorobenzene dcb14  
2108 C6H5NO nitrosobenzene bzno  
2109 C9H8 Indene indene  
2110 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2111 C9H12 n-propyl benzene prbz  
2112 C9H20 Nonane nonane  
2113 C(CN)4 tetracyanomethane c5n4  
2114 C5H4N4 purine purine  
2115 C8H7N Indole indole  
2116 C3H3N3O3 cyanuric acid cyanuric  
2117 C6H5NO2 Nitrobenzene c6h5no2  
2118 C6H5COOH benzoic acid benzo  
2119 CH3COC6H5 acetophenone acph  
2120 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2121 C3F6 hexafluoropropene c3f6  
2122 C6H3F3 Benzene trifluoride 123 bzf3a  
2123 C8H18O 1-Octanol octanol  
2124 C10H8 Azulene azu  
2125 C10H8 naphthalene naph  
2126 C10H10 bullvalene bullv  
2127 C10H16 adamantane adamantane  
2128 C6N4 Tetracyanoethylene tcne  
2129 C6N4- tetracyanoethylene anion tcne-  
2130 C10H22 Decane decane  
2131 C4F6 perfluorobutadiene c4f6  
2132 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2133 C3F8 perfluoropropane c3f8  
2134 Fe(CO)5 Iron pentacarbonyl ipc  
2135 Fe(C5H5)2 ferrocene fecp2  
2136 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2137 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2138 C12H8 Acenaphthylene acenaph  
2139 C12H8 biphenylene biph  
2140 C12H10 biphenyl biphenyl  
2141 C12H10 Heptalene heptalene  
2142 C6H12O6 Inositol inositol  
2143 C6F6 hexafluorobenzene c6f6  
2144 S2F10 disulphur decafluoride s2f10  
2145 C13H10 Fluorene fluorene  
2146 C14H10 Anthracene anth  
2147 C14H10 Phenanthrene phenanthrene  
2148 C14H14 Bibenzyl bibenzyl  
2149 C12H10N2 azobenzene azobenzene  
2150 C6H5COC6H5 benzophenone benzophenone  
2151 C16H10 Pyrene pyrene  
2152 C18H12 Tetracene tetracene  
2153 C19H16 Triphenylmethane tpm  
2154 C24H12 Coronene coronene  
2155 C60 Buckminsterfullerene c60