return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at QCISD(T)=FULL /aug-cc-pCVTZ

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count Species Name State Conformation
1 SiH Silylidyne 2ΠC∞v
2 SiH3 Silyl radical 2A1C3v
3 SiH3+ Silyl cation 1A1'D3h
4 PH3 Phosphine 1A1C3v
5 H2S Hydrogen sulfide 1A1C2v
6 Ar Argon atom 1SKh
7 ArH+ Argon hydride cation 1ΣC∞v
8 Li2 Lithium diatomic 1ΣgD∞v
9 NaLi lithium sodium 1ΣC∞v
10 Na2 Sodium diatomic 1ΣgD∞h
11 NaAl Sodium aluminum 1ΣC∞v
12 B2H4 Diborane(4) D2d 1A1D2d
13 HBHHBH Diborane(4) C2V 1A1C2v
14 Si2H6 disilane 1EuD3d
15 SiN Silicon nitride 2ΣC∞v
16 PN Phosphorus mononitride 1ΣC∞v
17 BH3PH3 borane phosphine   
18 SiO Silicon monoxide 1ΣC∞v
19 NS Mononitrogen monosulfide 2ΠC∞v
20 PO Phosphorus monoxide 2ΠC∞v
21 O2-- dioxygen dianion   
22 SO Sulfur monoxide 3ΣC∞v
23 SO Sulfur monoxide 1ΣC∞v
24 HBS hydrogen boron sulfide 1ΣC∞v
25 HNO Nitrosyl hydride 1A'Cs
26 HO2 Hydroperoxy radical 2A"Cs
27 H2CO Formaldehyde 1A1C2v
28 H2S2 Disulfane 1AC2
29 BF Boron monofluoride 1ΣC∞v
30 CF Fluoromethylidyne 2ΠC∞v
31 SiF silicon monofluoride 2ΠC∞v
32 SiF+ silicon monofluoride cation 1ΣC∞v
33 SF+ sulfur monofluoride cation 3ΣC∞v
34 SCl+ sulfur monochloride cation 3ΣgC∞v
35 HOF Hypofluorous acid 1A'Cs
36 HOCl hypochlorous acid 1A'Cs
37 CH3Cl Methyl chloride 1A1C3v
38 SiH3F monofluorosilane 1A1C3v
39 SiC2 Silicon dicarbide   
40 Si3H8 trisilane   
41 AlNC Aluminum isocyanide   
42 Na2S Sodium sulfide   
43 N2O Nitrous oxide 1ΣC∞v
44 SO2 Sulfur dioxide 1A1C2v
45 ClNO Nitrosyl chloride 1A'Cs
46 OPCl Phosphorus oxychloride   
47 CF2 Difluoromethylene 1A1D∞h
48 SiF2 Silicon difluoride 1A1C2v
49 FClO chlorosyl fluoride 1A'Cs
50 ClOF Chlorine hypofluorite 1A'Cs
51 SF2 sulfur difluoride 1A1C2v
52 HCCF Fluoroacetylene 1ΣC∞v
53 CH2F2 Methane, difluoro- 1A1C2v
54 SiH2F2 difluorosilane   
55 SiH2Cl2 dichlorosilane 1A1C2v
56 S2N2 Disulfur dinitride 1AGD2h
57 CF2O Carbonic difluoride 1A1C2v
58 ClO2F Chloryl fluoride 1A'Cs
59 CHF3 Methane, trifluoro- 1A1C3v
60 SiHF3 trifluorosilane   
61 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- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2 silicon dihydride sih2  
131 SiH2- silicon dihydride anion sih2-  
132 SiH2+ silicon dihydride cation sih2+  
133 GeH2 germylene geh2  
134 GeH2- germylene anion geh2-  
135 CH3 Methyl radical ch3  
136 CH3- methyl anion ch3-  
137 CH3+ methyl cation ch3+  
138 SiH3- Silyl anion sih3-  
139 GeH3 Germyl radical geh3  
140 GeH3+ germyl cation geh3+  
141 CD4 methane-d4 cd4  
142 CH2D2 methane-d2 ch2d2  
143 CH3D methane-d ch3d  
144 CH4 Methane ch4  
145 CH4- Methane anion ch4-  
146 CH4+ Methane cation ch4+  
147 CHD3 methane-d3 chd3  
148 SiH2D2 silane-d2 sih2d2  
149 SiH4 Silane sih4  
150 SiH4+ Silane cation sih4+  
151 GeH4 Germane geh4  
152 SnH4 Stannane snh4  
153 SiH5+ Silane, protonated sih5+  
154 N Nitrogen atom n  
155 N- Nitrogen atom anion n-  
156 N+ Nitrogen atom cation n+  
157 P Phosphorus atom p  
158 P- Phosphorus atom anion p-  
159 P+ Phosphorus atom cation p+  
160 V Vanadium atom v  
161 V+ Vanadium atom cation v+  
162 As Arsenic atomic as  
163 As- Arsenic anion as-  
164 As+ Arsenic cation as+  
165 Sb Antimony atom sb  
166 NH Imidogen nh  
167 NH- Imidogen anion nh-  
168 NH+ imidogen cation nh+  
169 PH phosphorus monohydride ph  
170 PH- phosphorus monohydride anion ph-  
171 PH+ phosphorus monohydride cation ph+  
172 AsH Arsenic monohydride ash  
173 AsH+ Arsenic monohydride cation ash+  
174 SbH Antimony monohydride sbh  
175 ND2 Amidogen-d2 nd2  
176 NH2 Amino radical nh2  
177 NH2- amino anion nh2-  
178 NH2+ Amino cation nh2+  
179 PH2 Phosphino radical ph2  
180 PH2- Phosphino anion ph2-  
181 PH2+ Phosphino cation ph2+  
182 AsH2 Arsenic dihydride ash2  
183 AsH2+ Arsenic dihydride cation ash2+  
184 ND3 Ammonia-d3 nd3  
185 NH3 Ammonia nh3  
186 NH3- Ammonia anion nh3-  
187 NH3+ ammonia cation nh3+  
188 PH3+ Phosphine cation ph3+  
189 AsH3 Arsine ash3  
190 AsH3+ Arsine cation ash3+  
191 SbH3 Stibine sbh3  
192 AsH4+ Arsonium ash4+  
193 NH4 Ammonium radical nh4  
194 NH4+ ammonium cation nh4+  
195 PH4 Phosphoranyl radical ph4  
196 PH4+ phosphonium cation ph4+  
197 O Oxygen atom o  
198 O- Oxygen atom anion o-  
199 O+ Oxygen atom cation o+  
200 S Sulfur atom s  
201 S- Sulfur atom anion s-  
202 S+ Sulfur atom cation s+  
203 Cr Chromium atom cr  
204 Se Selenium atom se  
205 Se- Selenium atom anion se-  
206 Se+ Selenium atom cation se+  
207 Te Tellurium atom te  
208 Te+ Tellurium atom cation te+  
209 DO Hydroxyl-d od  
210 OH Hydroxyl radical oh  
211 OH- hydroxide anion oh-  
212 OH+ hydoxyl cation oh+  
213 DS Mercapto-d ds  
214 HS Mercapto radical hs  
215 HS- mercapto anion sh-  
216 HS+ sulfur monohydride cation sh+  
217 CrH Chromium hydride crh  
218 CrH+ Chromium hydride cation crh+  
219 HSe Selenium monohydride hse  
220 HSe- selenium monohydride anion hse-  
221 HSe+ selenium monohydride cation hse+  
222 TeH Telluryl radical teh  
223 D2O Deuterium oxide d2o  
224 H2O Water h2o  
225 H2O- water anion h2o-  
226 H2O+ water cation h2o+  
227 HDO Water-d1 hdo  
228 D2S Hydrogen sulfide-d2 d2s  
229 H2S- Hydrogen sulfide anion h2s-  
230 H2S+ Hydrogen sulfide cation h2s+  
231 H2Se Hydrogen selenide h2se  
232 H2Se+ Hydrogen selenide cation h2se+  
233 H2Te Hydrogen Telluride h2te  
234 H3O+ hydronium cation h3o+  
235 H3S+ Sulfonium cation h3s+  
236 H3Se+ Hydrogen Selenide, protonated h3se+  
237 F Fluorine atom f  
238 F- Fluorine atom anion f-  
239 F+ Fluorine atom cation f+  
240 Cl Chlorine atom cl  
241 Cl- Chlorine atom anion cl-  
242 Cl+ Chlorine atom cation cl+  
243 Mn Manganese atom mn  
244 Br Bromine atom br  
245 Br- Bromine atom anion br-  
246 Br+ Bromine atom cation br+  
247 I Iodine atom iodine  
248 I- Iodine atom anion iodine-  
249 I+ Iodine atom cation iodine+  
250 DF Hydrofluoric acid-d df  
251 HF Hydrogen fluoride hf  
252 HF- hydrogen fluoride anion hf-  
253 HF+ hydrogen fluoride cation hf+  
254 DCl Hydrochloric acid-d dcl  
255 HCl Hydrogen chloride hcl  
256 HCl- hydrogen chloride anion hcl-  
257 HCl+ hydrogen chloride cation hcl+  
258 HBr hydrogen bromide hbr  
259 HBr- hydrogen bromide anion hbr-  
260 HBr+ hydrogen bromide cation hbr+  
261 HI Hydrogen iodide hi  
262 HI+ Hydrogen iodide cation hi+  
263 H2F+ dihydrogen fluoride cation h2f+  
264 H2Cl+ dihydrogen monochloride cation h2cl+  
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 anion ar-  
271 Ar+ Argon atom cation ar+  
272 Fe Iron atom fe  
273 Kr Krypton atom kr  
274 Kr+ Krypton cation kr+  
275 Xe Xenon atom xe  
276 HeLi+ Helium Lithium cation heli+  
277 NeH neon hydrogen neh  
278 NeH+ neon hydrogen cation neh+  
279 KrH+ Protonated Krypton krh+  
280 XeH+ Xenon, protonated xeh+  
281 H2Ar H2 Ar dimer h2ar  
282 Co Cobalt atom cobalt  
283 Ni Nickel atom ni  
284 Li2- lithium diatomic anion li2-  
285 Li2+ lithium diatomic cation li2+  
286 NaLi- lithium sodium anion lina-  
287 NaLi+ lithium sodium cation lina+  
288 LiK Lithium Potassium lik  
289 Na2- sodium diatomic anion na2-  
290 Na2+ sodium diatomic cation na2+  
291 NaK Sodium Potassium nak  
292 NaK+ Sodium Potassium diatomic cation nak+  
293 K2 Potassium diatomic k2  
294 Cu2 Copper diatomic cu2  
295 LiBe Lithium Beryllium libe  
296 LiMg Lithium magnesium limg  
297 NaBe Sodium Beryllium nabe  
298 NaMg Sodium Magnesium namg  
299 Be2 Beryllium diatomic be2  
300 Be2- Beryllium diatomic anion be2-  
301 Be2+ Beryllium diatomic cation be2+  
302 BeMg Beryllium Magnesium bemg  
303 Mg2 Magnesium diatomic mg2  
304 Mg2- magnesium diatomic anion mg2-  
305 Mg2+ magnesium diatomic cation mg2+  
306 Ca2 Calcium diatomic ca2  
307 LiB Lithium boride lib  
308 LiAl Lithium Aluminum lial  
309 BeB Beryllium monoboride beb  
310 B2 Boron diatomic b2  
311 B2- Boron diatomic anion b2-  
312 B2+ Boron diatomic cation b2+  
313 BAl Boron Aluminum bal  
314 Al2 Aluminum diatomic al2  
315 Al2- aluminum diatomic anion al2-  
316 Al2+ aluminum diatomic cation al2+  
317 BGa Boron Gallium bga  
318 AlGa Aluminum Gallium alga  
319 Ga2 Gallium diatomic ga2  
320 HBBH Diborane(2) hbbh  
321 LiBH4 Lithium borohydride libh4  
322 B2H6 Diborane b2h6  
323 B2H6+ Diborane cation b2h6  
324 Al2H6 dialane al2h6  
325 Ga2H6 digallane ga2h6  
326 LiC Lithium Carbide lic  
327 BeC Beryllium Carbide bec  
328 CaC Calcium monocarbide cac  
329 BC boron monocarbide bc  
330 BC- boron monocarbide anion bc-  
331 BC+ boron monocarbide cation bc+  
332 AlC Aluminum carbide alc  
333 BSi Boron silicide bsi  
334 C2 Carbon diatomic c2  
335 C2- carbon diatomic anion c2-  
336 C2+ carbon diatomic cation c2+  
337 SiC silicon monocarbide sic  
338 SiC- silicon monocarbide anion sic-  
339 SiC+ silicon monocarbide cation sic+  
340 Si2 Silicon diatomic si2  
341 Si2- silcon diatomic anion si2-  
342 Si2+ silcon diatomic cation si2+  
343 GeC Germanium monocarbide gec  
344 SiGe Silicon Germanium sige  
345 Ge2 Germanium diatomic ge2  
346 C2H Ethynyl radical c2h  
347 C2H- Ethynyl anion c2h-  
348 C2H+ Ethynyl cation c2h+  
349 ZnCH2 Zinc methylene znch2  
350 C2H2 Acetylene c2h2  
351 C2H2+ acetylene cation c2h2+  
352 CCH2 vinylidene vinylidene  
353 H2CC- vinylidene anion h2cc-  
354 HCCH- acetylene anion c2h2-  
355 Si2H2 disilyne si2h2  
356 CH3Li methyl lithium ch3li  
357 CuCH3 monomethyl copper cuch3  
358 ZnCH3 Zinc monomethyl znch3  
359 CH2BH methyleneborane ch2bh  
360 C2H3 vinyl c2h3  
361 C2H3- vinyl anion c2h3-  
362 C2H3+ vinyl cation c2h3+  
363 C2H4 Ethylene c2h4  
364 C2H4- Ethylene anion c2h4-  
365 C2H4+ Ethylene cation c2h4+  
366 CH3CH methylmethylene ch3ch  
367 CH2SiH2 silaethylene ch2sih2  
368 Si2H4 Disilene si2h4  
369 CH3BH2 methylborane ch3bh2  
370 C2H5 Ethyl radical c2h5  
371 C2H5- Ethyl anion c2h5-  
372 C2H5+ Ethyl cation c2h5+  
373 C2H6 Ethane c2h6  
374 C2H6+ ethane cation c2h6+  
375 CH3SiH3 methyl silane ch3sih3  
376 GeH3CH3 methyl germane geh3ch3  
377 C2H7+ Ethane, protonated c2h7+  
378 LiN Lithium Nitride lin  
379 LiN+ Lithium Nitride cation lin+  
380 LiP Lithium monophosphide lip  
381 BeN Beryllium mononitride ben  
382 BeN- Beryllium mononitride anion ben-  
383 BeN+ Beryllium mononitride cation ben+  
384 MgN Magnesium Nitride mgn  
385 BN- boron nitride anion bn-  
386 AlN- aluminum mononitride anion aln-  
387 AlN+ aluminum mononitride cation aln+  
388 BP Boron monophosphide bp  
389 AlP Aluminum monophosphide alp  
390 GaN Gallium mononitride gan  
391 GaP Gallium monophosphide gap  
392 GaAs Gallium arsenide gaas  
393 BN boron nitride bn  
394 BN+ boron nitride cation bn+  
395 AlN Aluminum nitride aln  
396 CN Cyano radical cn  
397 CN- cyanide anion cn-  
398 CN+ Cyano cation cn+  
399 CP Carbon monophosphide cp  
400 CP- carbon monophosphide anion cp-  
401 CP+ carbon monophosphide cation cp+  
402 SiN- silicon mononitride anion sin-  
403 SiN+ silicon mononitride cation sin+  
404 SiP Silicon monophosphide sip  
405 SiP- Silicon monophosphide anion sip-  
406 SiP+ Silicon monophosphide cation sip+  
407 TiN Titanium mononitride tin  
408 N2 Nitrogen diatomic n2  
409 N2- nitrogen diatomic anion n2-  
410 N2+ diatomic nitrogen cation n2+  
411 PN- phosphorus nitride anion pn-  
412 PN+ phosphorus nitride cation pn+  
413 P2 Phosphorus diatomic p2  
414 P2- phosphorus diatomic anion p2-  
415 P2+ phosphorus diatomic cation p2+  
416 AsN Arsenic mononitride asn  
417 AsP Arsenic monophosphide asp  
418 SbN Antimony nitride sbn  
419 As2 Arsenic diatomic as2  
420 HNB hydrogen nitrogen boron hnb  
421 HNC hydrogen isocyanide hnc  
422 HCN Hydrogen cyanide hcn  
423 HCN- Hydrogen cyanide anion hcn-  
424 HCN+ hydrogen cyanide cation hcn+  
425 HNC+ hydrogen isocyanide cation hnc+  
426 HCP Phosphaethyne hcp  
427 HCP+ Phosphaethyne cation hcp+  
428 NNH Dinitrogen monohydride nnh  
429 NNH+ Dinitrogen monohydride cation nnh+  
430 HPO Hydrogen phosphorus oxide hpo  
431 HPO+ Hydrogen phosphorus oxide cation hpo+  
432 LiNH2 lithium amide linh2  
433 HBNH Boranimine hbnh  
434 CNH2 Aminomethylidyne radical cnh2  
435 CNH2+ N-protonated hydrogen isocyanide cnh2+  
436 H2CN Dihydrogen cyanide radical h2cn  
437 H2CN+ hydrocyanonium cation h2cn+  
438 HCNH methyleneazane hcnh  
439 HCNH+ N-protonated HCN hcnh+  
440 H2NN Isodiazene h2nn  
441 N2H2 (E)-diazene n2h2  
442 N2H2 (Z)-Diazene n2h2z  
443 N2H2+ trans-diazene cation n2h2+  
444 CH2NH Methanimine ch3n  
445 CH2NH+ Methanimine cation ch2nh+  
446 CHNH2 aminomethylene chnh2  
447 CHNH2+ Aminocarbene cation chnh2+  
448 CH2PH Phosphaethene ch3p  
449 BH2NH2 Boranamine bh2nh2  
450 CH2NH2+ methyleneamine cation ch2nh2+  
451 N2H4 Hydrazine n2h4  
452 N2H4+ hydrazine cation n2h4+  
453 P2H4 Diphosphine p2h4  
454 CH3NH2 methyl amine ch3nh2  
455 CH3NH2+ methyl amine cation ch3nh2+  
456 CH3PH2 Methyl phosphine ch3ph2  
457 SiH3NH2 Silane, amino sih3nh2  
458 N2H5+ protonated hydrazine n2h5+  
459 BH3NH3 borane ammonia bh3nh3  
460 CH3NH3 methyl ammonium radical ch3nh3  
461 CH3NH3+ protonated methylamine ch3nh3+  
462 CH3PH3+ methyl phosphine, protonated ch3ph3+  
463 NH3NH3 Ammonia Dimer nh3nh3  
464 N2H7+ ammonia ammonium dimer n2h7+  
465 LiO lithium oxide lio  
466 LiO- lithium oxide anion lio-  
467 LiO+ lithium oxide cation lio+  
468 LiS Lithium monosulfide lis  
469 LiS+ Lithium sulfide cation lis+  
470 NaO sodium monoxide nao  
471 NaO- sodium oxide anion nao-  
472 NaO+ sodium oxide cation nao+  
473 KO Potassium monoxide ko  
474 KO+ Potassium monoxide cation ko+  
475 NaS Sodium sulfide nas  
476 CuO Copper Monoxide cuo  
477 LiSe Lithium monoselenide lise  
478 BeO beryllium oxide beo  
479 BeO- Beryllium monoxide anion beo-  
480 BeO+ Beryllium monoxide cation beo+  
481 BeS beryllium sulfide bes  
482 MgO magnesium oxide mgo  
483 MgO- magnesium oxide anion mgo-  
484 MgO+ magnesium oxide cation mgo+  
485 CaO Calcium monoxide cao  
486 MgS magnesium sulfide mgs  
487 MgS- magnesium sulfide anion mgs-  
488 MgS+ magnesium sulfide cation mgs+  
489 CaS Calcium sulfide cas  
490 ZnO zinc monoxide zno  
491 ZnS Zinc sulfide zns  
492 BeS- Beryllium monosulfide anion bes-  
493 BeS+ Beryllium monosulfide cation bes+  
494 BO boron monoxide bo  
495 BO- boron monoxide anion bo-  
496 AlO Aluminum monoxide alo  
497 AlO- Aluminum monoxide anion alo-  
498 AlO+ aluminum monoxide cation alo+  
499 BS boron sulfide bs  
500 BS- boron monosulfide anion bs-  
501 BS+ boron monosulfide cation bs+  
502 AlS Aluminum sulfide als  
503 AlS- aluminum monosulfide anion als-  
504 AlS+ aluminum monosulfide cation als+  
505 ScO Scandium monoxide sco  
506 GaO Gallium monoxide gao  
507 GaS Gallium monosulfide gas  
508 BO+ boron monoxide cation bo+  
509 CO Carbon monoxide co  
510 CO- carbon monoxide anion co-  
511 CO+ carbon monoxide cation co+  
512 CS carbon monosulfide cs  
513 CS- carbon monosulfide anion cs-  
514 CS+ carbon monosulfide cation cs+  
515 SiO- silicon monoxide anion sio-  
516 SiO+ silicon monoxide cation sio+  
517 SiS silicon monosulfide sis  
518 SiS- silicon monosulfide anion sis-  
519 SiS+ silicon monosulfide cation sis+  
520 TiO Titanium monoxide tio  
521 CSe Carbon monoselenide cse  
522 CSe- Carbon monoselenide anion cse-  
523 CSe+ Carbon monoselenide cation cse+  
524 GeO Germanium monoxide geo  
525 GeO+ Germanium monoxide cation geo+  
526 GeS Germanium monosulfide ges  
527 SiSe Silicon Monoselenide sise  
528 SiSe+ Silicon Monoselenide cation sise+  
529 GeSe Germanium monoselenide gese  
530 NO Nitric oxide no  
531 NO- nitric oxide anion no-  
532 NO+ nitric oxide cation no+  
533 NS- nitrogen sulfide anion ns-  
534 NS+ nitrogen sulfide cation ns+  
535 PO- phosphorus monoxide anion po-  
536 PO+ phosphorus monoxide cation po+  
537 PS phosphorus sulfide ps  
538 PS- phosphorus monosulfide anion ps-  
539 PS+ phosphorus monosulfide cation ps+  
540 VO Vanadium monoxide vo  
541 AsO Arsenic monoxide aso  
542 NSe Nitrogen monoselenide nse  
543 AsS Arsenic monosulfide ass  
544 PSe Phosphorus monoselenide pse  
545 AsSe Arsenic monoselenide asse  
546 O2 Oxygen diatomic o2  
547 O2- oxygen diatomic anion o2-  
548 O2+ diatomic oxygen cation o2+  
549 SO- sulfur monoxide anion so-  
550 SO+ sulfur monoxide cation so+  
551 S2 Sulfur diatomic s2  
552 S2- sulfur diatomic anion s2-  
553 S2+ sulfur diatomic cation s2+  
554 SeO Selenium monoxide seo  
555 SeO- selenium monoxide anion seo-  
556 SeO+ selenium monoxide cation seo+  
557 SeS Selenium monosulfide ses  
558 SeS- selenium monosulfide anion ses-  
559 SeS+ selenium monosulfide cation ses+  
560 TeO Tellurium monoxide teo  
561 Se2 Selenium diatomic se2  
562 Se2- selenium diatomic anion se2-  
563 Se2+ selenium diatomic cation se2+  
564 Te2 Tellurium diatomic te2  
565 LiOH lithium hydroxide lioh  
566 NaOH sodium hydroxide naoh  
567 KOH Potassium hydroxide koh  
568 BeOH beryllium monohydroxide beoh  
569 MgOH magnesium hydroxide mgoh  
570 CaOH Calcium monohydroxide caoh  
571 HBO Boron hydride oxide hbo  
572 COH Hydroxymethylidyne coh  
573 COH+ Carbon Monoxide, protonated coh+  
574 HCO Formyl radical hco  
575 HCO- formyl anion hco-  
576 HCO+ Formyl cation hco+  
577 HCS Thioformyl radical hcs  
578 HCS- Thioformyl anion hcs-  
579 HCS+ Thioformyl cation hcs+  
580 HNO- Nitrosyl hydride anion hno-  
581 HNO+ Nitrosyl hydride cation hno+  
582 NOH Hydroxyimidogen noh  
583 NOH+ O-protonated nitric oxide noh+  
584 HNS Sulfur imide hns  
585 HNS- Sulfur imide anion hns-  
586 HO2- Hydroperoxy anion ho2-  
587 HO2+ Hydroperoxy cation ho2+  
588 HSO+ Sulfur Monoxide, S-protonated HSO+  
589 SOH Sulfur Hydroxide soh  
590 SOH+ Sulfur Monoxide, protonated soh+  
591 HS2 Thiosulfeno radical hs2  
592 H2CO- formaldehyde anion h2co-  
593 H2CO+ formaldehyde cation h2co+  
594 HOCH hydroxycarbene hoch  
595 H2CS Thioformaldehyde h2cs  
596 H2CS- thioformaldehyde anion h2cs-  
597 H2CS+ thioformaldehyde cation h2cs+  
598 H2CSe Selenoformaldehyde h2cse  
599 H2NO nitroxide h2no  
600 H2O2 Hydrogen peroxide h2o2  
601 H2O2+ Hydrogen peroxide cation h2o2+  
602 H2OO water oxide h2oo  
603 HOSH hydrogen thioperoxide hosh  
604 H2S2+ hydrogen disulfide cation h2s2+  
605 H2Se2 hydrogen diselenide h2se2  
606 CH2OH Hydroxymethyl radical ch2oh  
607 CH2OH+ hydroxymethyl cation ch2oh+  
608 CH3O Methoxy radical ch3o  
609 CH3O- methoxy anion ch3o-  
610 CH3O+ Methoxy cation ch3o+  
611 CH3S thiomethoxy ch3s  
612 H2CSH+ Thioformaldehyde, protonated h2csh+  
613 NH2OH hydroxylamine nh2oh  
614 NH2OH+ Hydroxylamine cation nh2oh+  
615 NH3O Ammonia Oxide nh3o  
616 H2POH Phosphinous acid h2poh  
617 H3PO Phosphine oxide h3po  
618 NH2SH Thiohydroxylamine nh2sh  
619 NH3S sulfidoazane nh3s  
620 H3O2+ hydrogen peroxide, protonated h3o2+  
621 CH3OH Methyl alcohol ch3oh  
622 CH3OH- Methyl alcohol anion ch3oh-  
623 CH3OH+ Methyl alcohol cation ch3oh+  
624 CH3SH Methanethiol ch3sh  
625 CH3SH+ Methanethiol cation ch3sh+  
626 SiH3OH silanol sih3oh  
627 CH3SeH Methane selenol ch3seh  
628 NH2OH2+ protonated hydroxylamine nh2oh2+  
629 NH3OH+ N-protonated hydroxylamine nh3oh+  
630 H2OH2O water dimer h2oh2o  
631 CH3OH2+ Methanol, protonated ch3oh2+  
632 CH3SH2+ protonated methylsulfide ch3sh2+  
633 H2ONH3 Water Ammonia Dimer h2onh3  
634 H5O2+ Dihydroxonium ion h5o2+  
635 LiF lithium fluoride lif  
636 LiCl lithium chloride licl  
637 LiCl- lithium chloride anion licl-  
638 LiCl+ lithium chloride cation licl+  
639 NaF sodium fluoride naf  
640 NaF- sodium fluoride anion naf-  
641 NaF+ sodium fluoride cation naf+  
642 KF Potassium Fluoride kf  
643 NaCl Sodium Chloride nacl  
644 NaCl- sodium chloride anion nacl-  
645 NaCl+ sodium chloride cation nacl+  
646 KCl Potassium Chloride kcl  
647 CuF Copper monofluoride cuf  
648 LiBr Lithium Bromide libr  
649 LiBr- lithium bromide anion libr-  
650 LiBr+ lithium bromide cation libr+  
651 CuCl Copper monochloride cucl  
652 NaBr Sodium Bromide nabr  
653 NaBr- sodium bromide anion nabr-  
654 NaBr+ sodium bromide cation nabr+  
655 KBr Potassium Bromide kbr  
656 LiI Lithium Iodide lii  
657 NaI Sodium Iodide nai  
658 KI Potassium Iodide ki  
659 LiF- lithium fluoride anion lif-  
660 LiF+ lithium fluoride cation lif+  
661 BeF Beryllium monofluoride bef  
662 BeF- Beryllium monofluoride anion bef-  
663 BeF+ Beryllium monofluoride cation bef+  
664 BeCl beryllium monochloride becl  
665 MgF Magnesium monofluoride mgf  
666 MgF- magnesium fluoride anion mgf-  
667 MgF+ magnesium fluoride cation mgf+  
668 CaF Calcium monofluoride caf  
669 MgCl magnesium monochloride mgcl  
670 MgCl- magnesium monochloride anion mgcl-  
671 MgCl+ magnesium monochloride cation mgcl+  
672 CaCl calcium monochloride cacl  
673 TiCl Titanium Monochloride ticl  
674 ZnF Zinc monofluoride znf  
675 ZnF- Zinc monofluoride anion znf-  
676 ZnF+ Zinc monofluoride cation znf+  
677 ZnCl Zinc monochloride zncl  
678 CaBr Calcium monobromide cabr  
679 BeCl- beryllium monochloride anion becl-  
680 BeCl+ beryllium monochloride cation becl+  
681 BF- Boron monofluoride anion bf-  
682 BF+ Boron monofluoride cation bf+  
683 AlF Aluminum monofluoride alf  
684 AlF- Aluminum monofluoride anion alf-  
685 AlF+ Aluminum monofluoride cation alf+  
686 BCl boron monochloride bcl  
687 BCl- boron monochloride anion bcl-  
688 BCl+ boron monochloride cation bcl+  
689 AlCl Aluminum monochloride alcl  
690 AlCl- aluminum monochloride anion alcl-  
691 AlCl+ aluminum monochloride cation alcl+  
692 ScF Scandium monofluoride scf  
693 BBr Boron monobromide bbr  
694 GaF Gallium monofluoride gaf  
695 GaF+ Gallium monofluoride cation gaf+  
696 AlBr Aluminum monobromide albr  
697 GaCl Gallium monochloride gacl  
698 GaCl+ Gallium monochloride cation gacl+  
699 AlI Aluminum monoiodide ali  
700 GaBr Gallium monobromide gabr  
701 CF- carbon monofluoride anion cf-  
702 CF+ carbon monofluoride cation cf+  
703 CCl carbon monochloride ccl  
704 CCl- carbon monochloride anion ccl-  
705 CCl+ carbon monochloride cation ccl+  
706 SiF- silicon monofluoride anion sif-  
707 SiCl Clorosilylidyne sicl  
708 SiCl- silicon monochloride anion sicl-  
709 SiCl+ silicon monochloride cation sicl+  
710 CBr Carbon monobromide cbr  
711 GeF Germanium monofluoride gef  
712 GeF+ Germanium monofluoride cation gef+  
713 GeCl Germanium monochloride gecl  
714 GeCl+ Germanium monochloride cation gecl+  
715 SiBr Silicon monobromide sibr  
716 SiBr+ Silicon monobromide cation sibr+  
717 NF nitrogen fluoride nf  
718 NF- nitrogen monofluorine anion nf-  
719 NF+ nitrogen monofluoirde cation nf+  
720 NCl nitrogen monochloride ncl  
721 NCl- nitrogen monochloride anion ncl-  
722 NCl+ nitrogen monochloride cation ncl+  
723 PF phosphorus monofluoride pf  
724 PF- phosphorus monofluoride anion pf-  
725 PF+ phosphorus monofluoride cation pf+  
726 PCl phosphorus chloride pcl  
727 PCl- phosphorus monochloride anion pcl-  
728 PCl+ phosphorus monochloride cation pcl+  
729 AsF Arsenic monofluoride asf  
730 NBr nitrogen monobromide nbr  
731 AsCl Arsenic monochloride ascl  
732 PBr Phosphorus monobromide pbr  
733 SbF Antimony monofluoride sbf  
734 SbCl Antimony monochloride sbcl  
735 FO Oxygen monofluoride fo  
736 FO- flourine oxide anion fo-  
737 FO+ fluorine monoxide cation fo+  
738 ClO Monochlorine monoxide clo  
739 ClO- chlorine monoxide anion clo-  
740 ClO+ chlorine monoxide cation clo+  
741 SF Monosulfur monofluoride sf  
742 SF- sulfur monofluoride anion sf-  
743 SCl sulfur monochloride scl  
744 SCl- sulfur monochloride anion scl-  
745 BrO Bromine monoxide bro  
746 BrO- Bromine monoxide anion bro-  
747 BrO+ Bromine monoxide cation bro+  
748 SeF Selenium monofluoride sef  
749 SBr Sulfur monobromide radical sbr  
750 SBr+ Sulfur monobromide cation sbr+  
751 SeCl Selenium monochloride secl  
752 IO Iodine monoxide io  
753 SeBr Selenium monobromide sebr  
754 BrCl Bromine monochloride brcl  
755 F2 Fluorine diatomic f2  
756 F2- flourine diatomic anion f2-  
757 F2+ flourine diatomic cation f2+  
758 ClF Chlorine monofluoride clf  
759 ClF- clorine monofluoride anion clf-  
760 ClF+ clorine monofluoride cation clf+  
761 Cl2 Chlorine diatomic cl2  
762 Cl2- chlorine diatomic anion cl2-  
763 Cl2+ chlorine diatomic cation cl2+  
764 BrF Bromine monofluoride brf  
765 BrF- bromine fluoride anion brf-  
766 BrF+ bromine fluoride cation brf+  
767 BrCl- bromine chloride anion brcl-  
768 BrCl+ bromine chloride cation brcl+  
769 IF Iodine monofluoride if  
770 Br2 Bromine diatomic br2  
771 Br2- bromine diatomic anion br2-  
772 Br2+ bromine diatomic cation br2+  
773 ICl Iodine monochloride icl  
774 IBr Iodine monobromide ibr  
775 I2 Iodine diatomic i2  
776 I2+ Iodine diatomic cation i2+  
777 HCF Fluoromethylene hcf  
778 HCCl Chloromethylene hccl  
779 HSiF fluorosilylene hsif  
780 HSiCl Chlorosilylene hsicl  
781 HSiBr monobromosilylene hsibr  
782 CHBr bromomethylene chbr  
783 DOCl Hypochlorous acid-d docl  
784 HOCl+ hypochlorous acid cation hocl+  
785 HOBr Hypobromous acid hobr  
786 HOBr+ Hypobromous acid cation hobr+  
787 HOI Hypoiodous acid hoi  
788 F2H+ Fluorine, protonated f2h+  
789 FHF Hydrogen difluoride fhf  
790 FHF- Hydrogen difluoride anion fhf-  
791 ClFH+ Chlorine fluoride, F-protonated clfh+  
792 FClH+ Chlorine fluoride, Cl-protonated fclh+  
793 Cl2H+ Chlorine, protonated cl2h+  
794 CH2Br bromomethyl radical ch2br  
795 CH2F fluoromethyl radical ch2f  
796 CH2F+ fluoromethyl cation ch2f+  
797 CH2Cl+ chloromethyl cation ch2cl+  
798 CH2Cl chloromethyl radical ch2cl  
799 NH2F monofluoroamine nh2f  
800 NH2Cl chloramine nh2cl  
801 H2F2 Hydrogen fluoride dimer h2f2  
802 CH3F+ methyl fluoride cation ch3f+  
803 CD3F methylfluoride-d3 cd3f  
804 CH3F Methyl fluoride ch3f  
805 CD3Cl methyl chloride d3 cd3cl  
806 CH3Cl+ Methyl chloride cation ch3cl+  
807 SiH3Cl chlorosilane sih3cl  
808 CH3Br methyl bromide ch3br  
809 GeH3F monofluorogermane geh3f  
810 GeH3Cl monochlorogermane geh3cl  
811 SiH3Br bromosilane sih3br  
812 CH3I methyl iodide ch3i  
813 SiH3I Silyl Iodide sih3i  
814 NH3Cl+ protonated monochloroammonia nh3cl+  
815 CH3ClH+ methyl chloride, protonated ch3clh+  
816 NH4Cl Ammonium chloride nh4cl  
817 LiNe+ Lithium Neon cation line+  
818 Ne2 Neon diatomic ne2  
819 Ne2+ Neon diatomic cation ne2+  
820 Ar2 Argon diatomic ar2  
821 Ar2+ Argon diatomic cation ar2+  
822 Li3 Lithium trimer li3  
823 Li3+ Lithium trimer cation li3+  
824 C3 carbon trimer c3  
825 C3+ carbon trimer cation c3+  
826 C3H3 cyclopropenyl radical cpr  
827 C3H3 Propargyl radical propargyl  
828 C3H3- Propargyl anion c3h3-  
829 C3H3+ cyclopropenyl cation cpr+  
830 C3H3+ Propargyl cation c3h3+  
831 C3H4 cyclopropene cprop  
832 CH2CCH2 allene allene  
833 CH3CCH propyne propyne  
834 C3H5 Allyl radical allyl  
835 C3H5+ Allyl cation allyl+  
836 CH3CHCH 1-propenyl radical ch3chch  
837 Zn(CH3)2 dimethyl zinc dmz  
838 C3H6 Cyclopropane c3h6  
839 CH2CHCH3 Propene propene  
840 C3H7 n-Propyl radical npropyl  
841 C3H7+ cyclopropane, protonated c3h7+  
842 CH3CHCH3 Isopropyl radical isopropyl  
843 CH3CHCH3+ Isopropyl cation prop2yl+  
844 C3H8 Propane propane  
845 SiH2(CH3)2 dimethylsilane dms  
846 LiCN lithium cyanide licn  
847 NaCN Sodium Cyanide nacn  
848 KCN Potassium cyanide kcn  
849 CuCN Copper cyanide cucn  
850 ZnCN Zinc monocyanide zncn  
851 ZnNC Zinc isocyanide znnc  
852 AlCN Aluminum monocyanide alcn  
853 CN2 3H-Diazirin-3-ylidene cn2  
854 CNN Diazocarbene cnn  
855 NCN Cyanoimidogen ncn  
856 N3 azide radical n3  
857 N3- azide anion n3-  
858 N3+ azide cation n3+  
859 HCCN cyanomethylene hccn  
860 HCNN diazomethyl radical hcnn  
861 HN3 hydrogen azide hn3  
862 HN3+ Hydrazoic acid cation hn3+  
863 HNCNH diiminomethane hncnh  
864 CH2N2 diazirine ch2n2  
865 CH2NN diazomethane ch2nn  
866 NH2CN cyanamide cyanamide  
867 HNNNH+ 1,2-Triazadienium n2h3+  
868 NH2NN+ hydrazoic acid, protonated nh2nn+  
869 CH3CN Acetonitrile ch3cn  
870 CH3CN- acetonitrile anion ch3cn-  
871 CH3CN+ Acetonitrile cation ch3cn+  
872 CH3NC methyl isocyanide ch3nc  
873 CHNCH2 2H-Azirine c157164  
874 CHNHCH 1H-Azirine chnhch  
875 H2CCNH Ethenimine ch2cnh  
876 H2CNCH methyleneaminomethylene ch2nch  
877 HCCNH2 Ethynamine hccnh2  
878 HCNCH2+ 2H-Azirine cation hcnch2+  
879 HNCNH2+ diiminomethane, protonated hncnh2+  
880 NCNH3+ Cyanamide, protonated ncnh3+  
881 NH2CNH+ cyanamide, cn protonated nh2cnh+  
882 NH3CN+ cyanamide, amine protonated nh3cn+  
883 CH2CHNH vinylazine ch2chnh  
884 CH3CHN methylmethaniminyl radical ch3chn  
885 NHCHNH2 aminomethanimine cn2h4  
886 C2H5N Aziridine c2h5n  
887 CH2CHNH2 aminoethene aminoethene  
888 CH2NCH3 N-methylmethanimine nmm  
889 CH3CHNH ethanimine ethanimine  
890 NH2BHNH2 diaminoborane nh2bhnh2  
891 C2H5NH+ Protonated Aziridine c2h5nh+  
892 C2H6N+ aziridine, protonated c2h6n+  
893 NH2CH2NH2 diaminomethane nh2ch2nh2  
894 CH3CH2NH2 Ethylamine etam  
895 CH3NHCH3 Dimethylamine ch3nhch3  
896 CH3PHCH3 dimethylphosphine ch3phch3  
897 NH2CH2NH3+ diaminoethane, protonated pdam  
898 (CH3)2NH2+ dimethylammonium cation dmam  
899 CH3CH2NH3+ ethylamine, protonated pea  
900 Li2O dilithium oxide li2o  
901 Li2O+ dilithium oxide cation li2o+  
902 Li2S dilithium sulfide li2s  
903 Na2O disodium monoxide na2o  
904 LiO2 Lithium dioxide lio2  
905 NaO2 Sodium superoxide nao2  
906 CCO Dicarbon monoxide cco  
907 CNO- fulminate cno-  
908 NCO isocyanato radical nco  
909 NCO- cyanate nco-  
910 SCN thiocyanato radical scn  
911 SCN- thiocyanide anion scn-  
912 BO2 Boron dioxide bo2  
913 BO2- Boron dioxide anion bo2-  
914 BO2+ Boron dioxide cation bo2+  
915 N2O- Nitrous oxide anion n2o-  
916 N2O+ Nitrous oxide cation n2o+  
917 NNS Nitrogen sulfide nns  
918 PPO Phosphorus oxide phosphide ppo  
919 CO2 Carbon dioxide co2  
920 CO2- Carbon dioxide anion co2-  
921 CO2+ Carbon dioxide cation co2+  
922 OCS Carbonyl sulfide cos  
923 OCS+ Carbonyl sulfide cation cos+  
924 SiO2 silicon dioxide sio2  
925 CS2 Carbon disulfide cs2  
926 CS2- Carbon disulfide anion cs2-  
927 CS2+ Carbon disulfide cation cs2+  
928 TiO2 Titanium dioxide tio2  
929 SiS2 Silicon disulfide sis2  
930 GeO2 Germanium dioxide geo2  
931 OCSe Carbonyl selenide ocse  
932 SCSe Carbon sulfide selenide scse  
933 GeS2 Germanium disulfide ges2  
934 CSe2 Carbon diselenide cse2  
935 SCTe Carbon sulfide Telluride scte  
936 NO2 Nitrogen dioxide no2  
937 NO2- Nitrogen dioxide anion no2-  
938 NO2+ Nitrogen dioxide cation no2+  
939 NSO sulfinyl amidogen NSO  
940 PO2 Phosphorus dioxide po2  
941 PO2- Phosphorus dioxide anion po2-  
942 PO2+ Phosphorus dioxide cation po2+  
943 SNO Nitrogen oxide sulfide sno  
944 AsO2 Aresenic dioxide aso2  
945 O3 Ozone o3  
946 O3- Ozone anion o3-  
947 O3+ Ozone cation o3+  
948 SO2- Sulfur dioxide anion so2-  
949 SO2+ Sulfur dioxide cation so2+  
950 SSO Disulfur monoxide sso  
951 S3 Sulfur trimer s3  
952 S3- Sulfur trimer anion s3-  
953 S3+ Sulfur trimer cation s3+  
954 SeO2 Selenium dioxide seo2  
955 SeO2+ Selenium dioxide cation seo2+  
956 TeO2 Tellurium Dioxide teo2  
957 HCCO ketenyl radical ketenyl  
958 CS2H+ Carbon disulfide, protonated cs2h+  
959 HCNO fulminic acid hcno  
960 HNCO Isocyanic acid hnco  
961 HOCN cyanic acid hocn  
962 HNCS Isothiocyanic acid hncs  
963 HSCN thiocyanic acid hscn  
964 HCO2- formate anion hco2-  
965 HNNO nitrosoazane hnno  
966 HNNO+ Nitrous oxide, N-protonated hnno+  
967 NNOH+ Nitrous Oxide, O-protonated nnoh+  
968 HCOO formate neutral radical hcoo  
969 HOCO Hydrocarboxyl radical hoco  
970 HOCO+ Hydrocarboxyl cation hoco+  
971 HNO2 Nitrous acid hno2  
972 HNO2+ nitrous acid cation hno2+  
973 O3H+ protonated ozone o3h+  
974 SO2H+ protonated sulfur dioxide so2h+  
975 C2H2O Oxirene oxirene  
976 CH2CO Ketene ch2co  
977 CH2CO+ Ketene cation ch2co+  
978 HCCOH ethynol hccoh  
979 CH2CS Thioketene ch2cs  
980 Be(OH)2 Beryllium hydroxide beo2h2  
981 Mg(OH)2 Magnesium dihydroxide h2mgo2  
982 NH2NO Nitrosamide nh2no  
983 CH2O2 Dioxirane diox  
984 H2COO Dioxymethyl radical h2coo  
985 H2COO+ dioxymethyl cation h2coo+  
986 HCOOH Formic acid ch2o2  
987 H2O3 Hydrogen trioxide h2o3  
988 HSSSH trisulfane hsssh  
989 NaOCH3 Sodium methoxide naoch3  
990 CH2BOH hydroxy(methylene)borane ch2boh  
991 BH3CO Borane carbonyl bh3co  
992 CH3BO Borane, methyloxo- ch3bo  
993 CH2CHO Vinyloxy radical ch2cho  
994 CH2COH+ ketene, protonated ch2coh+  
995 CH3CO Acetyl radical ch3co  
996 CH3CO- Acetyl anion ch3co-  
997 CH3CO+ acetyl cation ch3co+  
998 CH2NOH formaldoxime ch2noh  
999 CH3NO nitrosomethane ch3no  
1000 CHONH2 formamide formamide  
1001 CNOH3 1,2-oxaziridine cnoh3  
1002 HOCHNH hydroxymethylimine hochnh  
1003 CHSNH2 thioformamide chsnh2  
1004 NHCHSH Methanimidothioic acid nhchsh  
1005 CH2OOH CH2OOH radical ch2ooh  
1006 CH3OO methylperoxy radical ch3oo  
1007 CH3OO- methylperoxy anion ch3oo-  
1008 CH3OO+ methylperoxy cation ch3oo+  
1009 C2H4O Ethylene oxide c2h4o  
1010 C2H4O+ ethylene oxide cation c2h4o+  
1011 CH2CHOH ethenol ch2choh  
1012 CH3CHO Acetaldehyde ch3cho  
1013 CH3CHO+ acetaldehyde cation ch3cho+  
1014 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1015 C2H4S Thiirane thiirane  
1016 CH2CHSH Ethenethiol ch2chsh  
1017 CH3CHS Thioacetaldehyde ch3chs  
1018 H2CONH2+ protonated formamide h2conh2+  
1019 NH2CHOH+ Formamide, O-protonated nh2choh+  
1020 NH3CHO+ Formamide, N-Protonated nh3cho+  
1021 CH2(OH)2 methanediol ch2o2h2  
1022 CH3OOH Methyl peroxide ch3ooh  
1023 CH3SSH Hydrogen methyl disulfide ch3ssh  
1024 HSCH2SH Methanedithiol ch4s2  
1025 H2OH2CO water formaldehyde dimer h2oh2co  
1026 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1027 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1028 CH3CH2O Ethoxy radical ethoxy  
1029 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1030 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1031 CH3OCH2 methoxymethyl radical ch3och2  
1032 NH2CH2OH aminomethanol nh2ch2oh  
1033 CH3CH2OH Ethanol etoh  
1034 CH3OCH3 Dimethyl ether meome  
1035 CH3CH2SH ethanethiol etsh  
1036 CH3SCH3 Dimethyl sulfide mesme  
1037 CH3SCH3+ dimethyl sulfide cation mesme+  
1038 CH3SeCH3 dimethylselenide dmse  
1039 CH3OHH2O methanol water dimer ch3ohh2o  
1040 H2OCH3OH water methanol dimer h2och3oh  
1041 CuF2 Copper difluoride cuf2  
1042 ZnF2 Zinc difluoride znf2  
1043 CNF iso cyanogen fluoride cnf  
1044 FCN Cyanogen fluoride fcn  
1045 ClCN chlorocyanogen clcn  
1046 BrCN Cyanogen bromide brcn  
1047 ICN Cyanogen iodide icn  
1048 FBO Boron monofluoride monoxide fbo  
1049 BeF2 Beryllium fluoride bef2  
1050 MgF2 Magnesium fluoride mgf2  
1051 BeCl2 Beryllium chloride becl2  
1052 MgCl2 Magnesium dichloride mgcl2  
1053 CaCl2 Calcium Chloride cacl2  
1054 ZnCl2 Zinc dichloride zncl2  
1055 BeBr2 Beryllium bromide bebr2  
1056 CaBr2 Calcium dibromide cabr2  
1057 CaF2 Calcium difluoride caf2  
1058 FCO Carbonyl fluoride fco  
1059 FCO+ Carbonyl fluoride cation fco+  
1060 ClCO carbonyl monochloride clco  
1061 BF2 Boron difluoride radical bf2  
1062 FNO Nitrosyl fluoride fno  
1063 FNS Thionitrosyl fluoride fns  
1064 FSN Thiazyl fluoride fsn  
1065 BrNO Nitrosyl bromide brno  
1066 INO Nitrosyl iodide ino  
1067 CF2- Difluoromethylene anion cf2-  
1068 CF2+ Difluoromethylene cation cf2+  
1069 CFCl chlorofluoromethylene cfcl  
1070 SiF2+ Silicon difluoride cation sif2+  
1071 CCl2 dichloromethylene ccl2  
1072 CCl2- dichloromethylene anion ccl2-  
1073 CCl2+ dichloromethylene cation ccl2+  
1074 SiCl2 Dichlorosilylene sicl2  
1075 GeF2 Germanium difluoride gef2  
1076 GeCl2 Germanium dichloride gecl2  
1077 CBr2 dibromomethylene cbr2  
1078 FOO Dioxygen monofluoride radical foo  
1079 FOO+ Fluorine dioxide cation foo+  
1080 ClOO chloroperoxy radical cloo  
1081 ClOO+ chloroperoxy cation cloo+  
1082 OClO Chlorine dioxide oclo  
1083 OClO- Chlorine dioxide anion oclo-  
1084 OClO+ Chlorine dioxide cation oclo+  
1085 ClSO Sulfur chloride oxide clso  
1086 ClS2 Sulfur chloride cls2  
1087 BrOO Bromine dioxide broo  
1088 OBrO Bromine dioxide radical obro  
1089 NF2 Difluoroamino radical nf2  
1090 NF2+ Difluoroamino cation nf2+  
1091 PF2 Phosphorus difluoride pf2  
1092 PF2+ Phosphorus difluoride cation pf2+  
1093 F2O Difluorine monoxide f2o  
1094 SF2- sulfur difluoride anion sf2-  
1095 SF2+ sulfur difluoride cation sf2+  
1096 Cl2O Dichlorine monoxide cl2o  
1097 SCl2 Sulfur dichloride scl2  
1098 SeF2 Selenium difluoride sef2  
1099 BrOCl Bromine hypochlorite brocl  
1100 SeCl2 Selenium Dichloride secl2  
1101 SBr2 Sulfur dibromide sbr2  
1102 SeBr2 Selenium dibromide sebr2  
1103 BrOBr Bromine oxide brobr  
1104 F3- trifluoride anion f3-  
1105 Cl3- trichloride anion cl3-  
1106 Br3- tribromide anion br3-  
1107 I3- triiodide i3-  
1108 SFCl Sulfur chloride fluoride sfcl  
1109 HCCF+ fluoroacetylene cation hccf+  
1110 HCCCl Chloroacetylene hcccl  
1111 HCCBr bromoacetylene hccbr  
1112 HFCO formyl fluoride hfco  
1113 HFCO+ formyl fluoride cation hfco+  
1114 COHCl Formyl chloride cohcl  
1115 COHBr Formyl bromide cohbr  
1116 BHF2 Difluoroborane bhf2  
1117 BHCl2 Borane, dichloro- bhcl2  
1118 CHCl2 dichloromethyl radical chcl2  
1119 CHF2 difluoromethyl radical chf2  
1120 CHF2+ difluoromethyl cation chf2+  
1121 CHFCl Chlorofluoromethyl radical chfcl  
1122 CHFCl+ Chlorofluoromethyl cation chfcl+  
1123 CHCl2+ dichloromethyl cation chcl2+  
1124 CHBr2 dibromomethyl radical chbr2  
1125 HOClO Chlorous acid hoclo  
1126 NHF2 difluoramine nhf2  
1127 NHCl2 dichloroamine nhcl2  
1128 CH2FCl fluorochloromethane ch2fcl  
1129 CH2Cl2 Methylene chloride ch2cl2  
1130 CH2BrF Methane, bromofluoro- ch2fbr  
1131 CH2BrCl Methane, bromochloro- ch2clbr  
1132 CH2FI fluoroiodomethane ch2fi  
1133 CH2Br2 dibromomethane ch2br2  
1134 CH2ClI chloroiodomethane ch2cli  
1135 CH2BrI bromoiodomethane ch2bri  
1136 CH2I2 Diiodomethane ch2i2  
1137 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1138 CH2CHF Ethene, fluoro- ch2chf  
1139 CH2CHF+ fluoroethene cation ch2chf+  
1140 C2H3Cl Ethene, chloro- ch2chcl  
1141 C2H3Br vinyl bromide c2h3br  
1142 C2H3I Vinyl iodide c2h3i  
1143 CH2FOH fluoromethanol ch2foh  
1144 CH3OCl methyl hypochlorite ch3ocl  
1145 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1146 CHClCH3 1-chloroethyl radical chclch3  
1147 C2H5F fluoroethane c2h5f  
1148 CH3CH2Cl Ethyl chloride c2h5cl  
1149 CH3SiFH2 fluoromethylsilane ch3sifh2  
1150 C2H5Br Ethyl bromide etbr  
1151 C2H5I Ethyl iodide c2h5i  
1152 KrF2 Krypton difluoride krf2  
1153 XeF2 Xenon difluoride xef2  
1154 B4H10 Tetraborane(10) b4h10  
1155 C4 Carbon tetramer c4  
1156 C4+ Carbon tetramer cation c4+  
1157 C4H2 Diacetylene c4h2  
1158 C4H2+ diacetlyene cation c4h2+  
1159 C2H3CCH 1-Buten-3-yne c2h3cch  
1160 C4H4 cyclobutadiene cbd  
1161 C4H4 Tetrahedrane c4h4  
1162 H2CCCCH2 Butatriene h2cccch2  
1163 C4H6 1-Methylcyclopropene c3100047  
1164 C4H6 Cyclobutene c822355  
1165 C4H6 Methylenecyclopropane c6142730  
1166 CH2CCHCH3 1,2-Butadiene butad12  
1167 CH2CHCHCH2 1,3-Butadiene c106990  
1168 CH3CCCH3 2-Butyne c503173  
1169 CHCCH2CH3 1-Butyne c107006  
1170 CH3CHCHCH2 methylallyl radical c4h7  
1171 C4H8 methylcyclopropane mcp  
1172 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1173 CH2CHCH2CH3 1-Butene bute1  
1174 CH3CHCHCH3 2-Butene, (E)- bute2e  
1175 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1176 B(CH3)3 trimethylborane bme3  
1177 Al(CH3)3 trimethyl aluminum tma  
1178 C(CH3)3 Tert-butyl radical tbutyl  
1179 CH2CH(CH3)2 Isobutyl radical isobutyl  
1180 CH3CHCH2CH3 2-Butyl radical butyl2  
1181 CH3CH(CH3)CH3 Isobutane isobutane  
1182 CH3CH2CH2CH3 Butane butane  
1183 SiH(CH3)3 trimethylsilane trimsi  
1184 Li3N trilithium nitride li3n  
1185 C2N2 Cyanogen c2n2  
1186 C2N2+ Cyanogen cation c2n2+  
1187 P4 Phosphorus tetramer p4  
1188 As4 Arsenic tetramer as4  
1189 HCCCN Cyanoacetylene hcccn  
1190 HCCCN+ Cyanoacetylene cation hcccn+  
1191 H2CNCN cyanamide, methylene ch2ncn  
1192 HNCCNH Ethenediimine hnccnh  
1193 C3H3N acrylonitrile ch2chcn  
1194 C3H3N+ acrylonitrile cation ch2chcn+  
1195 CH3N3 methyl azide ch3n3  
1196 NH2CCNH2 Diaminoacetylene daa  
1197 NH2CH2CN Aminoacetonitrile aan  
1198 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1199 C2H5CN ethyl cyanide c2h5cn  
1200 CH5N3 Guanidine guanidine  
1201 C4H6 Bicyclo[1.1.0]butane c157335  
1202 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1203 H2NCHCHNH2 diaminoethylene dae  
1204 CH6N3+ guanidinium ch6n3+  
1205 C3H7N Cyclopropylamine cpram  
1206 CH7N3 triaminomethane tam  
1207 C3H7N Azetidine azet  
1208 C4H8 cyclobutane cbutane  
1209 C2H8N2 Ethylenediamine ethdiam  
1210 CH3NHNHCH3 dimethyl hydrazine dmh  
1211 CH3CH(NH2)CH3 2-Propanamine pram2  
1212 N(CH3)3 Trimethylamine trimeam  
1213 NH2CH2CH2CH3 1-Propanamine pram1  
1214 P(CH3)3 trimethylphosphine tmp  
1215 N(SiH3)3 trisilylamine tsa  
1216 As(CH3)3 trimethyl arsine tmas  
1217 (CH3)3NH+ protonated trimethyl amine ptma  
1218 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1219 Li2O2 dilithium dioxide li2o2  
1220 Na2O2 disodium dioxide na2o2  
1221 K2O2 dipotassium dioxide k2o2  
1222 C3O Tricarbon monoxide c3o  
1223 B2O2 Diboron dioxide b2o2  
1224 ONNO NO dimer onno  
1225 CO3 Carbon trioxide co3  
1226 CO3-- carbonate co3--  
1227 CS3-- Carbonotrithioate cs3--  
1228 NO3 Nitrogen trioxide no3  
1229 NO3- nitrate anion no3-  
1230 NO3+ nitrogen trioxide cation no3+  
1231 SO3 Sulfur trioxide so3  
1232 SO3- Sulfur trioxide anion so3-  
1233 SO3-- Sulfate dianion so3--  
1234 SO3+ Sulfur trioxide cation so3+  
1235 SeO3 selenium trioxide seo3  
1236 S4 Sulfur tetramer s4  
1237 TeO3 Tellurium trioxide teo3  
1238 HCO3- bicarbonate anion hco3-  
1239 HNO3 Nitric acid hno3  
1240 HSO3 Hydroxysulfonyl radical hso3  
1241 NH2NO2 nitramide nh2no2  
1242 C2H2CO cyclopropenone c2h2co  
1243 C3H2O Propadienal c3h2o  
1244 HCCCHO 2-propynal hcccho  
1245 C2H2O2 Ethanedial c2h2o2  
1246 C2H2O2+ Ethanedial cation c2h2o2+  
1247 H2CO3 Carbonic acid h2co3  
1248 H2CS3 thiocarbonic acid h2cs3  
1249 H2NO3+ Nitric Acid, Protonated h2no3+  
1250 H2SO3 Sulfurous acid h2so3  
1251 C2H3NO Nitrosoethylene c2h3no  
1252 CH3NCO methylisocyante ch3nco  
1253 HOCH2CN cyanomethanol hoch2cn  
1254 CH3COO- acetate anion ch3coo-  
1255 CH3NO2 Methane, nitro- ch3no2  
1256 CH3ONO Methyl nitrite ch3ono  
1257 NH2COOH Carbamic acid nh2cooh  
1258 H3BO3 Boric acid h3bo3  
1259 H3AlO3 Aluminum hydroxide h3alo3  
1260 H3CO3+ carbonic acid, protonated h3co3+  
1261 C3H4O 2-Propyn-1-ol c107197  
1262 C3H4O allenol c9000071  
1263 C3H4O Cyclopropanone cpone  
1264 C3H4O Methylketene c6004440  
1265 CH2CHCHO Acrolein c3h4o  
1266 NH2CONH2 Urea urea  
1267 NH2CONH2+ Urea cation urea+  
1268 NH2CSNH2 Thiourea thiourea  
1269 C2H4O2 1,3-dioxetane c2h4o2  
1270 CH3COOH Acetic acid ch3cooh  
1271 CH3OCHO methyl formate ch3ocho  
1272 CHOCH2OH hydroxy acetaldehyde haa  
1273 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1274 NH3COOH+ protonated Carbamic acid nh3cooh+  
1275 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1276 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1277 HCOOHH2O Formic acid water dimer hcoohh2o  
1278 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1279 CH3COCH2 Acetonyl radical ch3coch2  
1280 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1281 CH3C(OH)=NH Ethaninidic acid eia  
1282 CH3CHNOH Acetaldoxime acetaldoxime  
1283 CH3CONH2 Acetamide acetamide  
1284 HCONHCH3 N-methylformamide nmfa  
1285 CH3CSNH2 Ethanethioamide ch3csnh2  
1286 CH5N2O+ urea, N-protonated ch4n2o+  
1287 H2NCOHNH2+ urea, protonated ureah+  
1288 C2H5OO ethylperoxy radical c2h5oo  
1289 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1290 C3H5OH Cyclopropanol cproh  
1291 C3H6O 2-Propen-1-ol c107186  
1292 C3H6O Acetone enol enol  
1293 C3H6O Oxetane oxetane  
1294 C3H6O Propylene oxide prox  
1295 CH3CH2CHO Propanal propanal  
1296 CH3COCH3 Acetone acetone  
1297 CH3COCH3- acetone anion ch3coch3-  
1298 C3H6S Thietane thietane  
1299 C3H6S Thiirane, methyl- methiirane  
1300 CH3CSCH3 Thioacetone ch3csch3  
1301 C2H6O2 1,2-Ethanediol ethdiol  
1302 CH3OOCH3 dimethylperoxide dmp  
1303 CH3SOCH3 Dimethyl sulfoxide dmso  
1304 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1305 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1306 CH3COHCH3+ acetone, protonated acetoneh+  
1307 HOCH2CH2NH2 monoethanolamine mea  
1308 C3H7OH 1-Propanol proh  
1309 CH3CHOHCH3 Isopropyl alcohol isoproh  
1310 CH3OC2H5 Ethane, methoxy- etome  
1311 C3H7SH 1-Propanethiol prsh  
1312 CH3CHSHCH3 2-Propanethiol isoprsh  
1313 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1314 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1315 Li2F2 Lithium fluoride dimer li2f2  
1316 Na2F2 Sodium Fluoride Dimer na2f2  
1317 Na2Cl2 Disodium dichloride na2cl2  
1318 C2F2 difluoroacetylene c2f2  
1319 C2Cl2 dichloroacetylene c2cl2  
1320 C2Cl2+ dichloroacetylene cation c2cl2+  
1321 FNO2 Nitryl fluoride fno2  
1322 FONO Nitrosyl hypofluorite fono  
1323 ClNO2 Nitryl chloride clno2  
1324 ClONO chlorine nitrite clono  
1325 BrONO Bromine nitrite brono  
1326 N2F2 (Z)-Difluorodiazene n2f2_z  
1327 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1328 CF2O+ Carbonic difluoride cation f2co+  
1329 COFCl Carbonic chloride fluoride cofcl  
1330 CCl2O Phosgene cl2co  
1331 Cl2CS Thiophosgene cl2cs  
1332 COBr2 Carbonic dibromide cobr2  
1333 BF3 Borane, trifluoro- bf3  
1334 BF3- Borane, trifluoro- anion bf3-  
1335 BF3+ boron trifluoride cation bf3+  
1336 AlF3 Aluminum trifluoride alf3  
1337 BClF2 Chlorodifluoroborane bclf2  
1338 AlF2Cl Aluminum chloride difluoride alclf2  
1339 ScF3 Scandium trifluoride ScF3  
1340 AlFCl2 Aluminum dichloride fluoride alcl2f  
1341 BCl3 Borane, trichloro- bcl3  
1342 BCl3+ Boron Trichloride cation bcl3+  
1343 GaF3 Gallium trifluoride gaf3  
1344 AlCl3 Aluminum trichloride alcl3  
1345 GaCl3 Gallium trichloride gacl3  
1346 BBr3 Boron tribromide bbr3  
1347 AlBr3 Aluminum Bromide albr3  
1348 ClO3 Chlorine trioxide clo3  
1349 ClO3- chlorate anion clo3-  
1350 BrO3- Bromate anion bro3-  
1351 CF3 Trifluoromethyl radical cf3  
1352 CF3- Trifluoromethyl anion cf3-  
1353 CF3+ Trifluoromethyl cation cf3+  
1354 CF2Cl difluorochloromethyl radical cf2cl  
1355 SiF3 Silicon trifluoride radical sif3  
1356 SiF3+ Silicon trifluoride cation sif3+  
1357 CFCl2 dichlorofluoromethyl radical cfcl2  
1358 CCl3 Trichloromethyl radical ccl3  
1359 CCl3- Trichloromethyl anion ccl3-  
1360 CCl3+ Trichloromethyl cation ccl3+  
1361 SiCl3 trichlorosilyl radical sicl3  
1362 SiCl3+ trichlorosilyl cation sicl3+  
1363 CBr3 tribromomethyl radical cbr3  
1364 FOOF Perfluoroperoxide foof  
1365 F2SO Thionyl Fluoride f2so  
1366 ClOOCl Dichlorine dioxide cloocl  
1367 FSSF Difluorodisulfane fssf  
1368 S2F2 Thio-thionyl fluoride s2f2  
1369 SOCl2 thionyl chloride socl2  
1370 SSCl2 Thiothionyl chloride sscl2  
1371 SeOCl2 selenium oxychloride seocl2  
1372 NF3 Nitrogen trifluoride nf3  
1373 NF3- Nitrogen trifluoride anion nf3-  
1374 NF3+ Nitrogen trifluoride cation nf3+  
1375 PF3 Phosphorus trifluoride pf3  
1376 NCl3 nitrogen trichloride ncl3  
1377 AsF3 Arsenic trifluoride asf3  
1378 PCl3 Phosphorus trichloride pcl3  
1379 SbF3 Antimony Trifluoride sbf3  
1380 AsCl3 Arsenous trichloride ascl3  
1381 SbCl3 Antimony Trichloride sbcl3  
1382 NBr3 Nitrogen Tribromide nbr3  
1383 PBr3 Phosphorus tribromide pbr3  
1384 AsBr3 Arsenic tribromide asbr3  
1385 NI3 Nitrogen triiodide ni3  
1386 PI3 Phosphorus triiodide pi3  
1387 ClSSCl Disulfur dichloride s2cl2  
1388 SF3 Sulfur trifluoride sf3  
1389 ClF3 Chlorine trifluoride clf3  
1390 BrF3 Bromine trifluoride brf3  
1391 IF3 iodone trifluoride if3  
1392 HClO3 Chloric Acid hclo3  
1393 CHF2Cl difluorochloromethane chf2cl  
1394 CHFCl2 fluorodichloromethane chfcl2  
1395 CDCl3 trichloromethane-d cdcl3  
1396 CHCl3 Chloroform chcl3  
1397 CHBrF2 Methane, bromodifluoro- chbrf2  
1398 SiHCl3 Trichlorosilane sihcl3  
1399 CHFClBr fluorochlorobromomethane chfclbr  
1400 CHBrCl2 Methane, bromodichloro- chbrcl2  
1401 CHF2I difluoroiodomethane chf2i  
1402 CHBr2F dibromofluoromethane chbr2f  
1403 CHFClI fluorochloroiodomethane chfcli  
1404 CHCl2I dichloroiodomethane chcl2i  
1405 CHClBr2 Methane, dibromochloro- chclbr2  
1406 CHBr3 bromoform chbr3  
1407 CHI3 Iodoform chi3  
1408 NF3H+ protonated nitrogen trifluoride nf3h+  
1409 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1410 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1411 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1412 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1413 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1414 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1415 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1416 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1417 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1418 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1419 C2H2Br2 1,1-dibromoethene c2h2br2  
1420 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1421 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1422 CH2FCHO Fluoroacetaldehyde ch2fcho  
1423 CH3COF Acetyl fluoride ch3cof  
1424 CH2ClCHO chloroacetaldehyde ch2clcho  
1425 CH3COCl Acetyl Chloride ch3cocl  
1426 C2H4F2 1,2-difluoroethane c2h4f2  
1427 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1428 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1429 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1430 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1431 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1432 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1433 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1434 CH2CFCH3 2-fluoropropene 2fpro  
1435 CH2CHCH2F Allyl Fluoride allylf  
1436 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1437 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1438 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1439 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1440 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1441 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1442 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1443 CH2FCH2CH3 1-Fluoropropane prf1  
1444 CH3CHFCH3 2-Fluoropropane prf2  
1445 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1446 CH3CHClCH3 Propane, 2-chloro- prcl2  
1447 CH3CH2CH2Br n-propyl bromide prbr  
1448 CH3CHBrCH3 i-propyl bromide iprbr  
1449 C3H9O+ trimethyl oxonium cation c3h9o+  
1450 B5H9 pentaborane9 b5h9  
1451 C5H4 pentatetraene ptrene  
1452 C5H5 cyclopentadienyl radical c5h5  
1453 C5H5- cylopentadienyl anion c5h5-  
1454 C5H6 1,3-Cyclopentadiene c542927  
1455 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1456 C5H6 3-Penten-1-yne, (E)- c2004695  
1457 C5H6 3-Penten-1-yne, (Z)- c1574409  
1458 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1459 C5H6 Cyclopropylacetylene c6746947  
1460 C5H6 Propellane propellane  
1461 C5H7 1,3-pentadienyl radical pdyl  
1462 C5H7 cyclopentenyl radical cpyl  
1463 C5H8 1,2-Butadiene, 3-methyl- c598254  
1464 C5H8 1,2-Pentadiene c591957  
1465 C5H8 1,3-Butadiene, 2-methyl- c78795  
1466 C5H8 1,3-Pentadiene, (E)- c2004708  
1467 C5H8 1,3-Pentadiene, (Z)- c1574410  
1468 C5H8 1,4-Pentadiene c591935  
1469 C5H8 1-pentyne a1pentyne  
1470 C5H8 2,3-Pentadiene c591968  
1471 C5H8 Bicyclo[1.1.1]pentane bcp  
1472 C5H8 Cyclobutane, methylene- c1120565  
1473 C5H8 Cyclopentene c142290  
1474 C5H8 Ethenylcyclopropane c693867  
1475 CH3CCCH2CH3 2-Pentyne 2pentyne  
1476 C5H10 1-Butene, 2-methyl- c563462  
1477 C5H10 2-Butene, 2-methyl- c513359  
1478 C5H10 2-Pentene, (E)- c646048  
1479 C5H10 2-Pentene, (Z)- c627203  
1480 C5H10 Cyclopentane c287923  
1481 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1482 CH2CHCH2CH2CH3 1-pentene pentene  
1483 C5H11 2-Methylbut-2-yl radical c4348350  
1484 C5H12 Butane, 2-methyl- buta2  
1485 C5H12 Pentane pentane  
1486 C5H12 Propane, 2,2-dimethyl- neopentane  
1487 Si(CH3)4 tetramethylsilane tms  
1488 N2O3 Dinitrogen trioxide n2o3  
1489 C3H2N2 Malononitrile c3h2n2  
1490 CH2N4 1H-Tetrazole 1htz  
1491 C3H3N2 imidazolyl radical im  
1492 C3H3N2- imidizolyl anion im-  
1493 C2H3N3 1H-1,2,4-Triazole c288880  
1494 C4H4N pyrrolide radical c4h4n  
1495 C4H4N- pyrrolide anion c4h4n-  
1496 C3H4N2 1H-Imidazole 1himidaz  
1497 C3H4N2 1H-Pyrazole 1hpyraz  
1498 C3H4N2 2H-Imidazole imid2h  
1499 C3H4N2 4H-Imidazole imid4h  
1500 C4H5N (E)-2-Butenenitrile c627269  
1501 C4H5N (Z)-2-Butenenitrile c1190767  
1502 C4H5N 2H-pyrrole pyrrole2  
1503 C4H5N 3H-pyrrole pyrrole3  
1504 C4H5N Cyclopropanecarbonitrile c5500210  
1505 C4H5N Pyrrole pyrrole  
1506 CH2CHCH2CN Allylcyanide ch2chch2cn  
1507 C4H6N+ pyrrole, alpha-protonated appyr  
1508 C4H6N+ pyrrole, beta-protonated bppyr  
1509 C4H6N+ pyrrole, protonated ppyr  
1510 C3H6N2 3-Aminopropionitrile c151188  
1511 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1512 CH3CH2CH2CN Butanenitrile c109740  
1513 C5H8 Bicyclo[2.1.0]pentane c185944  
1514 C5H8 Spiropentane c157404  
1515 C4H9N Cyclobutylamine cbam  
1516 C4H9N Pyrrolidine pyrrolidine  
1517 C3H10N2 1,2-Diaminopropane diampr12  
1518 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1519 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1520 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1521 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1522 NH(C2H5)2 diethylamine dea  
1523 NC4H12+ tetramethyl ammonium cation nc4h12+  
1524 C3O2 Carbon suboxide c3o2  
1525 C3O2+ Carbon suboxide cation c3o2+  
1526 B2O3 diboron trioxide b2o3  
1527 MgCO3 Magnesium Carbonate mgco3  
1528 BeCO3 Beryllium Carbonate beco3  
1529 CaCO3 Calcium Carbonate caco3  
1530 ONONO Nitrosyl nitrite onono  
1531 PO4--- phosphate po4---  
1532 SO4-- sulfate so4--  
1533 HOONO2 peroxy nitric acid hoono2  
1534 HSO4- bisulfate anion hso4-  
1535 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1536 C3H2O2 Propiolic acid c3h2o2  
1537 CHOCOOH oxo acetic acid oaa  
1538 CHOOCHO diformyl ether choocho  
1539 H2SO4 Sulfuric acid h2so4  
1540 H2SeO4 Selenic acid h2seo4  
1541 C3H3NO Isoxazole isox  
1542 C3H3NO Oxazole oxazole  
1543 C3H3NS Thiazole thiazole  
1544 CH3C(O)OO acetyl peroxy radical ch3coo2  
1545 CH3NO3 Methyl nitrate ch3no3  
1546 H3PO4 Phosphoric Acid h3po4  
1547 C4H4O Furan furan  
1548 C4H4O+ Furan cation furan+  
1549 CH3COCCH 3-butyn-2-one c1423605  
1550 C4H4S Thiophene furans  
1551 C4H4Se selenophene c4h4se  
1552 C3H4O2 β–Propiolactone beta  
1553 C3H4O2 2-Propenoic acid propenoic2  
1554 C3H4O2 Methyl glyoxal megly  
1555 C3H4O2 propanedial propanedial  
1556 C3H4O2 propenalol propenalol  
1557 HOCHCCHOH allenediol aldiol  
1558 C2H4O3 1,2,3-trioxolane c2h4o3  
1559 C2H4O3 trioxolane124 triox  
1560 HOCH2COOH Hydroxyacetic acid hac  
1561 CH2CHCONH2 Acrylamide c79061  
1562 CH3OCH2CN Methoxyacetonitrile c1738369  
1563 CH5N3S Hydrazinecarbothioamide c79196  
1564 H2NCH2COOH Glycine glycine  
1565 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1566 C4H6O cis-2-butenal butenal2c  
1567 C4H6O Cyclobutanone cbutone  
1568 C4H6O Furan, 2,3-dihydro- furan23h  
1569 C4H6O Furan, 2,5-dihydro- furan25h  
1570 CH2CHOCHCH2 Vinyl ether vinylether  
1571 CHOCHCHCH3 2-Butenal butenal2  
1572 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1573 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1574 CH2CHSCHCH2 Divinyl sulfide divis  
1575 C2H6N2O Urea, methyl- c598505  
1576 C3H6O2 1,3-Dioxolane dioxolane  
1577 CH3CH2COOH Propanoic Acid propanoic  
1578 CH3COOCH3 methyl acetate aame  
1579 HCOOC2H5 Ethyl formate faee  
1580 C2H6O2S Dimethyl sulfone c67710  
1581 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1582 C3H7NO dimethylformamide dmf  
1583 C3H7NO Propanamide propanam  
1584 C2H3OC2H5 Ethene, ethoxy- c109922  
1585 C4H8O Cyclobutanol c2919235  
1586 C4H8O Furan, tetrahydro- thf  
1587 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1588 CH3COCH2CH3 2-Butanone buta2one  
1589 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1590 CHOCH2CH2CH3 Butanal butanal  
1591 C4H8S Thiophene, tetrahydro- tht  
1592 C3H8O2 1,3-Propanediol c504632  
1593 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1594 C3H8O2 Methane, dimethoxy- c109875  
1595 C3H8O2 Propylene glycol c57556  
1596 C3H8S2 1,3-Propanedithiol c109808  
1597 C4H10O 1-Butanol butanol1  
1598 C4H10O 1-Propanol, 2-methyl- c78831  
1599 C4H10O 2-Butanol, (.+/-.)- butanol2  
1600 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1601 C4H10O Ethoxy ethane etoet  
1602 C4H10O Methyl propyl ether meopr  
1603 C4H10O Propane, 2-methoxy- c598538  
1604 C4H10O+ 1-Butanol cation butanol1+  
1605 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1606 C2H5SC2H5 Diethyl sulfide etset  
1607 C4H9SH 1-Butanethiol bush  
1608 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1609 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1610 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1611 FNO3 Fluorine nitrate fno3  
1612 ClONO2 Chlorine nitrate clono2  
1613 BrONO2 Bromine nitrate brono2  
1614 TiCl4 Titanium tetrachloride ticl4  
1615 ClO4- perchlorate anion clo4-  
1616 BF4- tetrafluoroboron anion bf4-  
1617 ClFO3 Perchloryl fluoride clfo3  
1618 SO2F2 Sulfuryl fluoride so2f2  
1619 SO2Cl2 Sulfuryl chloride so2cl2  
1620 F3NO Nitrogen trifluoride oxide f3no  
1621 F3PO Phosphoryl fluoride pf3o  
1622 Cl3PO Phosphoryl chloride pcl3o  
1623 CF4 Carbon tetrafluoride cf4  
1624 CF3Cl Methane, chlorotrifluoro- cf3cl  
1625 SiF4 Silicon tetrafluoride sif4  
1626 CF2Cl2 difluorodichloromethane cf2cl2  
1627 TiF4 Titanium tetrafluoride tif4  
1628 CFCl3 Trichloromonofluoromethane cfcl3  
1629 CF3Br Bromotrifluoromethane cf3br  
1630 GeF4 Germanium tetrafluoride gef4  
1631 CCl4 Carbon tetrachloride ccl4  
1632 CCl4+ Carbon tetrachloride cation ccl4+  
1633 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1634 SiCl4 Silane, tetrachloro- sicl4  
1635 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1636 CF3I trifluoroiodomethane cf3i  
1637 CBrCl3 Methane, bromotrichloro- cbrcl3  
1638 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1639 GeCl4 Germanium Tetrachloride gecl4  
1640 CBr2ClF dibromochlorofluoromethane cbr2clf  
1641 CBr2Cl2 dibromodichloromethane cbr2cl2  
1642 CCl3I trichloroiodomethane ccl3i  
1643 CFBr3 fluorotribromomethane cfbr3  
1644 CFClBrI fluorochlorobromoiodomethane cfclbri  
1645 CBr3Cl tribromochloromethane cbr3cl  
1646 CF2I2 difluorodiiodomethane cf2i2  
1647 CBr4 Carbon tetrabromide cbr4  
1648 CCl2I2 dichlorodiiodomethane ccl2i2  
1649 SiBr4 Silicon tetrabromide sibr4  
1650 CBr3I tribromoiododmethane cbr3i  
1651 GeBr4 Germanium tetrabromide gebr4  
1652 CI4 tetraiodomethane ci4  
1653 SiI4 silicon tetraiodide sii4  
1654 ClOF3 Chlorine trifluoride oxide clof3  
1655 SF4 Sulfur tetrafluoride sf4  
1656 SeF4 Selenium tetrafluoride sef4  
1657 SCl4 Sulfur tetrachloride scl4  
1658 C2HF3 Trifluoroethylene c2hf3  
1659 C2HF3+ Trifluoroethylene cation c2hf3+  
1660 CHClCCl2 Trichloroethylene chclccl2  
1661 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1662 HClO4 perchloric acid hclo4  
1663 HSO3F Fluorosulfonic acid hso3f  
1664 CF3OH trifluoromethanol cf3oh  
1665 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1666 CHClCCHCl 1,3-dichloroallene chclcchcl  
1667 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1668 CHCl2CHO dichloroacetaldehyde chcl2cho  
1669 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1670 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1671 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1672 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1673 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1674 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1675 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1676 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1677 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1678 NH3BCl3 Amminetrichloroboron nh3bcl3  
1679 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1680 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1681 C3H5ClO Oxirane, (chloromethyl)- c106898  
1682 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1683 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1684 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1685 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1686 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1687 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1688 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1689 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1690 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1691 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1692 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1693 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1694 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1695 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1696 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1697 C4H9F 1-fluorobutane butaf1  
1698 CH3CHFCH2CH3 2-fluorobutane butaf2  
1699 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1700 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1701 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1702 XeF4 Xenon tetrafluoride xef4  
1703 C2H2N2O Furazan furazan  
1704 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1705 NH3BF3 Amminetrifluoroboron nh3bf3  
1706 C6H2 hexatriyne c6h2  
1707 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1708 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1709 C6H4 Benzyne benzyne  
1710 C6H5 phenyl phenyl  
1711 C6H5- phenyl anion phenyl-  
1712 C6H6 Prismane prismane  
1713 C6H6 1,2,4,5-Hexatetraene ht1245  
1714 C6H6 2,4-Hexadiyne hexadiyne  
1715 C6H6 3,4-Dimethylenecyclobutene cb34m  
1716 C6H6 Benzene benzene  
1717 C6H6 Benzvalene bv  
1718 C6H6 Dewar Benzene dewar  
1719 C6H6 Hexa-1,5-diene-3-yne hdy153  
1720 C6H6 Trimethylenecycopropane tmcp  
1721 C6H6+ Benzene cation c6h6+  
1722 C6H7+ benzene, protonated c6h7+  
1723 C6H8 (E)-hexa-1,3,5-triene c821078  
1724 C6H8 (E)-hexa-2,3,4-triene c59660650  
1725 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1726 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1727 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1728 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1729 C6H8 3-Methylenecyclopentene c930267  
1730 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1731 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1732 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1733 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1734 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1735 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1736 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1737 C6H10 1,5-Hexadiene c592427  
1738 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1739 C6H10 1-Hexyne hexyne1  
1740 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1741 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1742 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1743 C6H10 2-Hexyne c764352  
1744 C6H10 3-Hexyne hexyne3  
1745 C6H10 cyclohexene cyclohexene  
1746 C6H10 Cyclopentene, 1-methyl- c693890  
1747 C6H10 Cyclopentene, 3-methyl- c1120623  
1748 C6H10 Cyclopentene, 4-methyl- c1759815  
1749 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1750 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1751 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1752 C6H12 (E)-2-Hexene e2hexene  
1753 C6H12 (E)-3-methylpent-2-ene c616126  
1754 C6H12 (E)-hex-3-ene e3hexene  
1755 C6H12 (Z)-3-methylpent-2-ene c922623  
1756 C6H12 (Z)-hex-2-ene z2hexene  
1757 C6H12 (Z)-hex-3-ene z3hexene  
1758 C6H12 2,3-dimethylbut-1-ene c563780  
1759 C6H12 2,3-dimethyl-but-2-ene tmeet  
1760 C6H12 3-methylenepentane c760214  
1761 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1762 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1763 C6H12 Cyclohexane cyclohexane  
1764 C6H12 Cyclopentane, methyl- c96377  
1765 C6H12 Ethylcyclobutane c4806615  
1766 C6H12 hex-1-ene hexene1  
1767 C6H14 Butane, 2,2-dimethyl- buta22  
1768 C6H14 Butane, 2,3-dimethyl- buta23  
1769 C6H14 Hexane hexane  
1770 C6H14 Pentane, 2-methyl- penta2  
1771 C6H14 Pentane, 3-methyl- penta3  
1772 C4N2 2-Butynedinitrile c4n2  
1773 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1774 C4H2N2 Fumaronitrile c4h2n2  
1775 C2H2N4 sym-tetrazine ttz  
1776 C3H3N3 1,3,5-Triazine triazine135  
1777 CH3N5 5-Aminotetrazole c4418615  
1778 C4H4N2 1,3-Diazine diazine13  
1779 C4H4N2 Pyrazine pyrazine  
1780 C4H4N2 Pyridazine pyridazine  
1781 C4H4N2 Succinonitrile c110612  
1782 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1783 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1784 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1785 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1786 C5H5N E-2,4-pentadienenitrile bdcn  
1787 C5H5N Pyridine pyridine  
1788 B3N3H6 borazine borazine  
1789 C6H6 Fulvene fulvene  
1790 C5H6N+ Pyridinium c5h6n  
1791 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1792 C5H7N (E)-2-Pentenenitrile c26294984  
1793 C5H7N (E)-3-Pentenenitrile c16529661  
1794 C5H7N (Z)-2-Pentenenitrile c25899507  
1795 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1796 C5H7N Cyclobutanecarbonitrile c4426113  
1797 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1798 C5H9N Butanenitrile, 2-methyl- c18936179  
1799 C5H9N Pentanenitrile c110598  
1800 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1801 C6H10 Bicyclo[3.1.0]hexane c285585  
1802 C5H11N Cyclopentanamine cypentam  
1803 C5H11N Piperidine piper  
1804 C4H12N2 1,2-Butanediamine c4426486  
1805 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1806 Li2CO3 Lithium Carbonate li2co3  
1807 Na2CO3 Sodium Carbonate na2co3  
1808 C2O4-- oxalate anion c2o4  
1809 MgSO4 Magnesium Sulfate mgso4  
1810 N2O4 Dinitrogen tetroxide n2o4  
1811 C3H2O3 vinylene carbonate vica  
1812 C2H2O4 Oxalic Acid oxalic  
1813 C2H3NO3 Oxamic acid oxamic  
1814 C4H4O2 2(5H)-Furanone furanone  
1815 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1816 C2H4N2O2 Oxalamide oxalamide  
1817 C2H4N2S2 Ethanedithioamide c79403  
1818 C2H4CO3 Ethylene carbonate etco3  
1819 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1820 C3H4S3 1,3-Dithiolane-2-thione c822388  
1821 C2H4O4 Formic acid dimer fadimer  
1822 C4H5NO 3-Methylisoxazole isox3m  
1823 C4H5NO Isoxazole, 5-methyl- c5765446  
1824 C4H5NS 4-Methylthiazole c693958  
1825 C2H5NO3 Nitric acid, ethyl ester c625581  
1826 C5H6O 2H-Pyran pyran2  
1827 C5H6O 2-methylfuran furan2m  
1828 C5H6O 3-Methylfuran furan3m  
1829 C5H6O Pentadienal pdal  
1830 C5H6S Thiophene, 2-methyl- c554143  
1831 C5H6S Thiophene, 3-methyl- c616444  
1832 C4H6O2 γ–Butyrolactone c96480  
1833 C4H6O2 2,3-Butanedione c431038  
1834 C4H6O2 2-Propenoic acid, methyl ester c96333  
1835 C4H6O2 Crotonic Acid crot  
1836 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1837 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1838 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1839 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1840 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1841 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1842 C4H6OS Vinyl sulfoxide c1115157  
1843 CH6N4S Carbonothioic dihydrazide thiacarb  
1844 C2H6N2O2 (E)-Azodioxymethane c37765154  
1845 C2H6N2O2 Dimethylnitroamine c4164287  
1846 C3H6O3 1,3,5-Trioxane trioxane  
1847 C3H6S3 1,3,5-Trithiane c3h6s3  
1848 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1849 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1850 C4H7NO 2-Pyrrolidinone c616455  
1851 C4H7NO Ethoxyacetonitrile etoaccn  
1852 C4H7NO Methacrylamide c79390  
1853 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1854 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1855 C3H7ONO Propyl nitrite prono  
1856 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1857 CH3CH(NH2)COOH Alanine alanine  
1858 CH3NHCH2COOH Sarcosine sarcosine  
1859 NH2CH2CH2COOH β–alanine betaalanine  
1860 NH2COOC2H5 Urethane urethane  
1861 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1862 C5H8O Cyclopentanone c120923  
1863 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1864 C5H8O Methyl cyclopropyl ketone c765435  
1865 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1866 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1867 NH2CONHC2H5 Urea, ethyl- c625525  
1868 C4H8O2 1,3-Dioxane dioxan13  
1869 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1870 C4H8O2 1,4-Dioxane dioxan14  
1871 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1872 C4H8O2 Ethyl acetate c141786  
1873 C4H8OS s-Ethyl thioacetate c625605  
1874 C3H8O3 1,2,3-Propanetriol glycerin  
1875 C3H8O2S (Methylsulfonyl)ethane c594434  
1876 C4H9NO Butanamide c541355  
1877 C4H9NO Propanamide, 2-methyl- c563837  
1878 C5H10O 2-Butanone, 3-methyl- c563804  
1879 C5H10O 2H-Pyran, tetrahydro- c142687  
1880 C5H10O 2-methylbutyraldehyde 2meba  
1881 C5H10O 2-Pentanone mpk  
1882 C5H10O 3-Pentanone dek  
1883 C5H10O Cyclopentanol c96413  
1884 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1885 C5H10O Pentanal pal  
1886 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1887 C5H10S 3-Ethylthio-1-propene c5296628  
1888 C5H10S Cyclopentanethiol c1679078  
1889 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1890 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1891 C4H10O2 1,1-Dimethoxyethane c534156  
1892 C4H10O2 1,3-Butanediol budiol13  
1893 C4H10O2 1,4-Butanediol budiol14  
1894 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1895 C4H10OS Diethyl sulfoxide c70291  
1896 C4H10S2 1,4-Butanedithiol budisl14  
1897 C4H11NO Diethylhydroxylamine c3710847  
1898 C5H12O 1-Butanol, 2-methyl- c137326  
1899 C5H12O 1-Butanol, 3-methyl- c123513  
1900 C5H12O 1-Pentanol pentanol1  
1901 C5H12O 2-Butanol, 3-methyl- c598754  
1902 C5H12O 2-Pentanol peol2  
1903 C5H12O 3-Pentanol pentan3ol  
1904 C5H12O Butane, 1-methoxy- meobu  
1905 C5H12O Propane, 1-ethoxy- proet  
1906 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1907 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1908 C5H12S 1-Butanethiol, 3-methyl- c541311  
1909 C5H12S 1-Pentanethiol c110667  
1910 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1911 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1912 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1913 C5H12S Butane, 1-(methylthio)- c628295  
1914 C5H12S Ethyl propyl sulfide c4110503  
1915 C5H12S Propane, 2-(ethylthio)- c5145993  
1916 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1917 C4F2 difluorobutadiyne c4f2  
1918 ClCOClCO Oxalyl chloride oxcl  
1919 CF3CN Acetonitrile, trifluoro- cf3cn  
1920 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1921 B2F4 Diboron tetrafluoride b2f4  
1922 B2Cl4 Diboron tetrachloride b2cl4  
1923 C2F4 Tetrafluoroethylene c2f4  
1924 C2F4+ Tetrafluoroethylene cation c2f4+  
1925 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1926 CF2CCl2 difluorodichloroethylene cf2ccl2  
1927 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1928 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1929 C2FCl3 fluorotrichloroethene c2fcl3  
1930 C2Cl4 Tetrachloroethylene c2cl4  
1931 C2Br4 tetrabromoethene c2br4  
1932 CF3OF Trifluoromethylhypofluorite cf3of  
1933 SOF4 Sulfur tetrafluoride oxide sof4  
1934 PF5 Phosphorus pentafluoride pf5  
1935 AsF5 Arsenic pentafluoride asf5  
1936 PCl5 Phosphorus pentachloride pcl5  
1937 SF5 Sulfur pentafluoride sf5  
1938 SF5+ pentafluoro sulfur cation sf5+  
1939 SbCl5 Antimony pentachloride sbcl5  
1940 BrF5 bromine pentafluoride brf5  
1941 ClF5 chlorinepentafluoride clf5  
1942 IF5 pentafluoroiodine if5  
1943 CF3CHO trifluoroacetaldehyde cf3cho  
1944 CCl3CHO trichloroacetaldehyde ccl3cho  
1945 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1946 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1947 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1948 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1949 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1950 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1951 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1952 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1953 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1954 CF3COOH trifluoroacetic acid cf3cooh  
1955 C4H3ClO Furan, 2-chloro fur2cl  
1956 C4H3ClO Furan,3-chloro fur3cl  
1957 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1958 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1959 C4H8Cl2 1,4-Dichlorobutane c110565  
1960 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1961 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1962 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1963 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1964 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1965 C5H11Cl Pentane, 1-chloro- pencl1  
1966 C4H8O2 Butanoic acid bua  
1967 C6H5CH2 benzyl radical benzyl  
1968 C7H7 cycloheptatrienyl radical c7h7  
1969 C7H7+ cycloheptatrienyl cation c7h7+  
1970 C6H5CH3 toluene toluene  
1971 C7H8 cycloheptatriene cht  
1972 C7H8 Norbornadiene norbor  
1973 C7H8 Quadricyclane qucy  
1974 C7H12 Norbornane nor  
1975 C7H14 cycloheptane c7h14  
1976 C7H16 2-methylhexane 2mhex  
1977 C7H16 3-methylhexane hex3m  
1978 C7H16 heptane heptane  
1979 CH(CN)3 tricyanomethane mecn3  
1980 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1981 C6H7N 2-Methylpyridine mp  
1982 C6H5NH2 aniline aniline  
1983 C6H13N 2-Methylpiperidine pip2m  
1984 C6H13N cyclohexanamine cham  
1985 C6H15N triethylamine tea  
1986 N2O5 Dinitrogen pentoxide n2o5  
1987 C4H2O3 Maleic Anhydride malan  
1988 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1989 C5H4O2 furfural furfural  
1990 C6H5O phenoxy radical phenoxy  
1991 C5H5NO 2(1H)-Pyridinone c72762006  
1992 C5H5NO 2(3H)-Pyridinone c9000048  
1993 C5H5NO 2(5H)-Pyridinone c9000037  
1994 C5H5NO 2-Pyridinol c109104  
1995 C5H5NO 3(2H)-Pyridinone c9000004  
1996 C5H5NO 3(4H)-Pyridinone c9000026  
1997 C5H5NO 3(6H)-Pyridinone c9000015  
1998 C5H5NO 3-Pyridinol c109002  
1999 C5H5NO 4(1H)-Pryidinone c9000060  
2000 C5H5NO 4(3H)-Pryidinone c9000059  
2001 C5H5NO 4-Pyridinol c626642  
2002 C6H5OH phenol phenol  
2003 C6H6O 2,4-Cyclohexadienone c24599573  
2004 C6H6O 2,5-Cyclohexadienone c5664335  
2005 C6H5SH Benzenethiol phsh  
2006 HO2CCHNH2CH2OH Serine serine  
2007 C5H8O2 Acetylacetone acac  
2008 C4H8O2S Sulfolane sulfolane  
2009 C7H10 Norbornene norbornene  
2010 CH(C2H3)3 trivinyl methane tvm  
2011 C6H10O cyclohexanone chexo  
2012 C6H12O hexanal c6h12o  
2013 C6H12O Oxepane oxepane  
2014 C3H7OC3H7 di-n-propyl ether propr  
2015 F2CCCF2 tetrafluoroallene pfa  
2016 CF3COO- trifluoro acetate anion cf3coo-  
2017 CF3COF trifluoroacetyl fluoride cf3cof  
2018 CF3COCl trifluoroacetyl chloride cf3cocl  
2019 PF6 Hexafluorophosphate neutral pf6  
2020 PF6- Hexafluorophosphate ion pf6-  
2021 SF6 Sulfur Hexafluoride sf6  
2022 SeF6 Selenium hexafluoride sef6  
2023 SF5Cl sulfur chloropentafluoride sf5cl  
2024 CF3CHF2 pentafluoroethane cf3chf2  
2025 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2026 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2027 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2028 CCl3CHCl2 pentachloroethane ccl3chcl2  
2029 C6H5F Fluorobenzene bzf  
2030 C6H5Cl chlorobenzene bzcl  
2031 C6H5Br bromobenzene bzbr  
2032 C8H6 Calicene calicene  
2033 C6H5CCH phenylacetylene phac  
2034 C8H6 benzocyclobutadiene bcbd  
2035 C8H6 Pentalene pentalene  
2036 C6H5CHCH2 Styrene styrene  
2037 C8H8 cubane cubane  
2038 C8H8 cyclooctatetraene cot  
2039 C6H5CH2CH3 Ethylbenzene etbz  
2040 CH3C6H4CH3 meta-xylene mxylene  
2041 CH3C6H4CH3 paraxylene pxylene  
2042 C8H14 Bicyclo[2.2.2]octane bico222  
2043 C8H16 cyclooctane cyclooct  
2044 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2045 C8H18 Octane c8h18  
2046 C6H5CN phenyl cyanide phcn  
2047 C6H12N2 Triethylenediamine ted  
2048 C4O4-- squarate dianion c4o4--  
2049 S4N4 Tetrasulfur tetranitride s4n4  
2050 S8 Octasulfur s8  
2051 C6H4O2 parabenzoquinone pbq  
2052 C4H4N2O2 Uracil uracil  
2053 C6H5CHO benzaldehyde benzal  
2054 C6H5OCH3 Anisole anisole  
2055 C5H9NO2 Proline proline  
2056 C6H12O2 Methyl pivalate c598981  
2057 C6H12O2 Hexanoic acid hexa  
2058 C4F4 tetrafluorcyclobutadiene c4f4  
2059 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2060 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2061 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2062 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2063 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2064 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2065 C2F6 hexafluoroethane c2f6  
2066 C2Cl6 hexachloroethane c2cl6  
2067 IF7 Iodine heptafluoride if7  
2068 C6H4F2 metadifluorobenzene mdfb  
2069 C6H4F2 orthodifluorobenzene odfb  
2070 C6H4F2 1,4-difluorobenzene pdfb  
2071 C6H4Cl2 1,2-dichlorobenzene dcb12  
2072 C6H4Cl2 1,3-dichlorobenzene dcb13  
2073 C6H4Cl2 1,4-dichlorobenzene dcb14  
2074 C6H5NO nitrosobenzene bzno  
2075 C9H8 Indene indene  
2076 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2077 C9H12 n-propyl benzene prbz  
2078 C9H20 Nonane nonane  
2079 C(CN)4 tetracyanomethane c5n4  
2080 C5H4N4 purine purine  
2081 C8H7N Indole indole  
2082 C3H3N3O3 cyanuric acid cyanuric  
2083 C6H5NO2 Nitrobenzene c6h5no2  
2084 C6H5COOH benzoic acid benzo  
2085 CH3COC6H5 acetophenone acph  
2086 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2087 C3F6 hexafluoropropene c3f6  
2088 C6H3F3 Benzene trifluoride 123 bzf3a  
2089 C8H18O 1-Octanol octanol  
2090 C10H8 Azulene azu  
2091 C10H8 naphthalene naph  
2092 C10H10 bullvalene bullv  
2093 C10H16 adamantane adamantane  
2094 C6N4 Tetracyanoethylene tcne  
2095 C6N4- tetracyanoethylene anion tcne-  
2096 C10H22 Decane decane  
2097 C4F6 perfluorobutadiene c4f6  
2098 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2099 C3F8 perfluoropropane c3f8  
2100 Fe(CO)5 Iron pentacarbonyl ipc  
2101 Fe(C5H5)2 ferrocene fecp2  
2102 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2103 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2104 C12H8 Acenaphthylene acenaph  
2105 C12H8 biphenylene biph  
2106 C12H10 biphenyl biphenyl  
2107 C12H10 Heptalene heptalene  
2108 C6H12O6 Inositol inositol  
2109 C6F6 hexafluorobenzene c6f6  
2110 S2F10 disulphur decafluoride s2f10  
2111 C13H10 Fluorene fluorene  
2112 C14H10 Anthracene anth  
2113 C14H10 Phenanthrene phenanthrene  
2114 C14H14 Bibenzyl bibenzyl  
2115 C12H10N2 azobenzene azobenzene  
2116 C6H5COC6H5 benzophenone benzophenone  
2117 C16H10 Pyrene pyrene  
2118 C18H12 Tetracene tetracene  
2119 C19H16 Triphenylmethane tpm  
2120 C24H12 Coronene coronene  
2121 C60 Buckminsterfullerene c60