National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
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III.F.1. (I.A.4.)

List of which calculations are completed at wB97X-D /aug-cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 SiH4 Silane 1A1Td
2 PH4+ phosphonium cation   
3 H2S+ Hydrogen sulfide cation 2B1C2v
4 H3S+ Sulfonium cation 1A1C3v
5 HCl Hydrogen chloride 1ΣC∞v
6 BAl Boron Aluminum 3ΣC∞v
7 Si2H6 disilane 1EuD3d
8 SiO Silicon monoxide 1ΣC∞v
9 SiS silicon monosulfide 1ΣC∞v
10 GeO Germanium monoxide 1ΣC∞v
11 NS Mononitrogen monosulfide 2ΠC∞v
12 PO Phosphorus monoxide 2ΠC∞v
13 SO Sulfur monoxide 3ΣC∞v
14 SO Sulfur monoxide 1ΣC∞v
15 HBS hydrogen boron sulfide 1ΣC∞v
16 H2CS Thioformaldehyde 1A1C2v
17 H2S2 Disulfane 1AC2
18 H2S2+ hydrogen disulfide cation 2BgC2h
19 CH3SH Methanethiol 1A'Cs
20 CH3SH2+ protonated methylsulfide 1A'Cs
21 LiCl lithium chloride 1ΣC∞v
22 AlF Aluminum monofluoride 1Σ+C∞v
23 GeCl+ Germanium monochloride cation   
24 NCl nitrogen monochloride 3ΣC∞v
25 SCl sulfur monochloride 2ΠC∞v
26 SCl+ sulfur monochloride cation 3ΣgC∞v
27 Cl2+ chlorine diatomic cation 2ΠgD∞h
28 CH3Cl Methyl chloride 1A1C3v
29 SiH3F monofluorosilane 1A1C3v
30 SiH3Cl chlorosilane 1A1C1
31 Si3H8 trisilane   
32 Na2S Sodium sulfide   
33 Na2S Sodium sulfide   
34 OCS Carbonyl sulfide 1ΣC∞v
35 SO2 Sulfur dioxide 1A1C2v
36 CH2CS Thioketene   
37 ClNO Nitrosyl chloride 1A'Cs
38 OPCl Phosphorus oxychloride   
39 SiF2 Silicon difluoride 1A1C2v
40 OClO Chlorine dioxide 2B1D∞h
41 ClSO Sulfur chloride oxide 2A"Cs
42 FClO chlorosyl fluoride 1A'Cs
43 ClOF Chlorine hypofluorite 1A'Cs
44 SF2 sulfur difluoride 1A1C2v
45 SiH2F2 difluorosilane   
46 SiH2Cl2 dichlorosilane 1A1C2v
47 S2N2 Disulfur dinitride 1AGD2h
48 SO3 Sulfur trioxide 1A1'D3h
49 ClO2F Chloryl fluoride 1A'Cs
50 ClF3 Chlorine trifluoride 1A1C2v
51 SiHF3 trifluorosilane   
52 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 O Oxygen atom o  
200 O- Oxygen atom anion o-  
201 O+ Oxygen atom cation o+  
202 S Sulfur atom s  
203 S- Sulfur atom anion s-  
204 S+ Sulfur atom cation s+  
205 Cr Chromium atom cr  
206 Se Selenium atom se  
207 Se- Selenium atom anion se-  
208 Se+ Selenium atom cation se+  
209 Te Tellurium atom te  
210 Te+ Tellurium atom cation te+  
211 DO Hydroxyl-d od  
212 OH Hydroxyl radical oh  
213 OH- hydroxide anion oh-  
214 OH+ hydoxyl cation oh+  
215 DS Mercapto-d ds  
216 HS Mercapto radical hs  
217 HS- mercapto anion sh-  
218 HS+ sulfur monohydride cation sh+  
219 CrH Chromium hydride crh  
220 CrH+ Chromium hydride cation crh+  
221 HSe Selenium monohydride hse  
222 HSe- selenium monohydride anion hse-  
223 HSe+ selenium monohydride cation hse+  
224 TeH Telluryl radical teh  
225 D2O Deuterium oxide d2o  
226 H2O Water h2o  
227 H2O- water anion h2o-  
228 H2O+ water cation h2o+  
229 HDO Water-d1 hdo  
230 D2S Hydrogen sulfide-d2 d2s  
231 H2S Hydrogen sulfide h2s  
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 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 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 Al2 Aluminum diatomic al2  
320 Al2- aluminum diatomic anion al2-  
321 Al2+ aluminum diatomic cation al2+  
322 BGa Boron Gallium bga  
323 AlGa Aluminum Gallium alga  
324 Ga2 Gallium diatomic ga2  
325 HBBH Diborane(2) hbbh  
326 LiBH4 Lithium borohydride libh4  
327 B2H4 Diborane(4) D2d b2h4  
328 HBHHBH Diborane(4) C2V hbhhbh  
329 B2H6 Diborane b2h6  
330 B2H6+ Diborane cation b2h6  
331 Al2H6 dialane al2h6  
332 Ga2H6 digallane ga2h6  
333 LiC Lithium Carbide lic  
334 BeC Beryllium Carbide bec  
335 CaC Calcium monocarbide cac  
336 BC boron monocarbide bc  
337 BC- boron monocarbide anion bc-  
338 BC+ boron monocarbide cation bc+  
339 AlC Aluminum carbide alc  
340 BSi Boron silicide bsi  
341 C2 Carbon diatomic c2  
342 C2- carbon diatomic anion c2-  
343 C2+ carbon diatomic cation c2+  
344 SiC silicon monocarbide sic  
345 SiC- silicon monocarbide anion sic-  
346 SiC+ silicon monocarbide cation sic+  
347 Si2 Silicon diatomic si2  
348 Si2- silcon diatomic anion si2-  
349 Si2+ silcon diatomic cation si2+  
350 GeC Germanium monocarbide gec  
351 SiGe Silicon Germanium sige  
352 Ge2 Germanium diatomic ge2  
353 C2H Ethynyl radical c2h  
354 C2H- Ethynyl anion c2h-  
355 C2H+ Ethynyl cation c2h+  
356 ZnCH2 Zinc methylene znch2  
357 C2H2 Acetylene c2h2  
358 C2H2+ acetylene cation c2h2+  
359 CCH2 vinylidene vinylidene  
360 H2CC- vinylidene anion h2cc-  
361 HCCH- acetylene anion c2h2-  
362 Si2H2 disilyne si2h2  
363 CH3Li methyl lithium ch3li  
364 CuCH3 monomethyl copper cuch3  
365 ZnCH3 Zinc monomethyl znch3  
366 CH2BH methyleneborane ch2bh  
367 C2H3 vinyl c2h3  
368 C2H3- vinyl anion c2h3-  
369 C2H3+ vinyl cation c2h3+  
370 C2H4 Ethylene c2h4  
371 C2H4- Ethylene anion c2h4-  
372 C2H4+ Ethylene cation c2h4+  
373 CH3CH methylmethylene ch3ch  
374 CH2SiH2 silaethylene ch2sih2  
375 Si2H4 Disilene si2h4  
376 CH3BH2 methylborane ch3bh2  
377 C2H5 Ethyl radical c2h5  
378 C2H5- Ethyl anion c2h5-  
379 C2H5+ Ethyl cation c2h5+  
380 C2H6 Ethane c2h6  
381 C2H6+ ethane cation c2h6+  
382 CH3SiH3 methyl silane ch3sih3  
383 GeH3CH3 methyl germane geh3ch3  
384 C2H7+ Ethane, protonated c2h7+  
385 LiN Lithium Nitride lin  
386 LiN+ Lithium Nitride cation lin+  
387 LiP Lithium monophosphide lip  
388 BeN Beryllium mononitride ben  
389 BeN- Beryllium mononitride anion ben-  
390 BeN+ Beryllium mononitride cation ben+  
391 MgN Magnesium Nitride mgn  
392 BN- boron nitride anion bn-  
393 AlN- aluminum mononitride anion aln-  
394 AlN+ aluminum mononitride cation aln+  
395 BP Boron monophosphide bp  
396 AlP Aluminum monophosphide alp  
397 GaN Gallium mononitride gan  
398 GaP Gallium monophosphide gap  
399 GaAs Gallium arsenide gaas  
400 BN boron nitride bn  
401 BN+ boron nitride cation bn+  
402 AlN Aluminum nitride aln  
403 CN Cyano radical cn  
404 CN- cyanide anion cn-  
405 CN+ Cyano cation cn+  
406 CP Carbon monophosphide cp  
407 CP- carbon monophosphide anion cp-  
408 CP+ carbon monophosphide cation cp+  
409 SiN Silicon nitride sin  
410 SiN- silicon mononitride anion sin-  
411 SiN+ silicon mononitride cation sin+  
412 SiP Silicon monophosphide sip  
413 SiP- Silicon monophosphide anion sip-  
414 SiP+ Silicon monophosphide cation sip+  
415 TiN Titanium mononitride tin  
416 N2 Nitrogen diatomic n2  
417 N2- nitrogen diatomic anion n2-  
418 N2+ diatomic nitrogen cation n2+  
419 PN Phosphorus mononitride pn  
420 PN- phosphorus nitride anion pn-  
421 PN+ phosphorus nitride cation pn+  
422 P2 Phosphorus diatomic p2  
423 P2- phosphorus diatomic anion p2-  
424 P2+ phosphorus diatomic cation p2+  
425 AsN Arsenic mononitride asn  
426 AsP Arsenic monophosphide asp  
427 SbN Antimony nitride sbn  
428 As2 Arsenic diatomic as2  
429 HNB hydrogen nitrogen boron hnb  
430 HNC hydrogen isocyanide hnc  
431 HCN Hydrogen cyanide hcn  
432 HCN- Hydrogen cyanide anion hcn-  
433 HCN+ hydrogen cyanide cation hcn+  
434 HNC+ hydrogen isocyanide cation hnc+  
435 HCP Phosphaethyne hcp  
436 HCP+ Phosphaethyne cation hcp+  
437 NNH Dinitrogen monohydride nnh  
438 NNH+ Dinitrogen monohydride cation nnh+  
439 HPO Hydrogen phosphorus oxide hpo  
440 HPO+ Hydrogen phosphorus oxide cation hpo+  
441 LiNH2 lithium amide linh2  
442 HBNH Boranimine hbnh  
443 CNH2 Aminomethylidyne radical cnh2  
444 CNH2+ N-protonated hydrogen isocyanide cnh2+  
445 H2CN Dihydrogen cyanide radical h2cn  
446 H2CN+ hydrocyanonium cation h2cn+  
447 HCNH methyleneazane hcnh  
448 HCNH+ N-protonated HCN hcnh+  
449 H2NN Isodiazene h2nn  
450 N2H2 (E)-diazene n2h2  
451 N2H2 (Z)-Diazene n2h2z  
452 N2H2+ trans-diazene cation n2h2+  
453 CH2NH Methanimine ch3n  
454 CH2NH+ Methanimine cation ch2nh+  
455 CHNH2 aminomethylene chnh2  
456 CHNH2+ Aminocarbene cation chnh2+  
457 CH2PH Phosphaethene ch3p  
458 BH2NH2 Boranamine bh2nh2  
459 CH2NH2+ methyleneamine cation ch2nh2+  
460 N2H4 Hydrazine n2h4  
461 N2H4+ hydrazine cation n2h4+  
462 P2H4 Diphosphine p2h4  
463 CH3NH2 methyl amine ch3nh2  
464 CH3NH2+ methyl amine cation ch3nh2+  
465 CH3PH2 Methyl phosphine ch3ph2  
466 SiH3NH2 Silane, amino sih3nh2  
467 N2H5+ protonated hydrazine n2h5+  
468 BH3PH3 borane phosphine bh3ph3  
469 BH3NH3 borane ammonia bh3nh3  
470 CH3NH3 methyl ammonium radical ch3nh3  
471 CH3NH3+ protonated methylamine ch3nh3+  
472 CH3PH3+ methyl phosphine, protonated ch3ph3+  
473 NH3NH3 Ammonia Dimer nh3nh3  
474 N2H7+ ammonia ammonium dimer n2h7+  
475 LiO lithium oxide lio  
476 LiO- lithium oxide anion lio-  
477 LiO+ lithium oxide cation lio+  
478 LiS Lithium monosulfide lis  
479 LiS+ Lithium sulfide cation lis+  
480 NaO sodium monoxide nao  
481 NaO- sodium oxide anion nao-  
482 NaO+ sodium oxide cation nao+  
483 KO Potassium monoxide ko  
484 KO+ Potassium monoxide cation ko+  
485 NaS Sodium sulfide nas  
486 CuO Copper Monoxide cuo  
487 LiSe Lithium monoselenide lise  
488 BeO beryllium oxide beo  
489 BeO- Beryllium monoxide anion beo-  
490 BeO+ Beryllium monoxide cation beo+  
491 BeS beryllium sulfide bes  
492 MgO magnesium oxide mgo  
493 MgO- magnesium oxide anion mgo-  
494 MgO+ magnesium oxide cation mgo+  
495 CaO Calcium monoxide cao  
496 MgS magnesium sulfide mgs  
497 MgS- magnesium sulfide anion mgs-  
498 MgS+ magnesium sulfide cation mgs+  
499 CaS Calcium sulfide cas  
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 anion sio-  
526 SiO+ silicon monoxide cation sio+  
527 SiS- silicon monosulfide anion sis-  
528 SiS+ silicon monosulfide cation sis+  
529 TiO Titanium monoxide tio  
530 CSe Carbon monoselenide cse  
531 CSe- Carbon monoselenide anion cse-  
532 CSe+ Carbon monoselenide cation cse+  
533 GeO+ Germanium monoxide cation geo+  
534 GeS Germanium monosulfide ges  
535 SiSe Silicon Monoselenide sise  
536 SiSe+ Silicon Monoselenide cation sise+  
537 GeSe Germanium monoselenide gese  
538 NO Nitric oxide no  
539 NO- nitric oxide anion no-  
540 NO+ nitric oxide cation no+  
541 NS- nitrogen sulfide anion ns-  
542 NS+ nitrogen sulfide cation ns+  
543 PO- phosphorus monoxide anion po-  
544 PO+ phosphorus monoxide cation po+  
545 PS phosphorus sulfide ps  
546 PS- phosphorus monosulfide anion ps-  
547 PS+ phosphorus monosulfide cation ps+  
548 VO Vanadium monoxide vo  
549 AsO Arsenic monoxide aso  
550 NSe Nitrogen monoselenide nse  
551 AsS Arsenic monosulfide ass  
552 PSe Phosphorus monoselenide pse  
553 AsSe Arsenic monoselenide asse  
554 O2 Oxygen diatomic o2  
555 O2- oxygen diatomic anion o2-  
556 O2-- dioxygen dianion o2--  
557 O2+ diatomic oxygen cation o2+  
558 SO- sulfur monoxide anion so-  
559 SO+ sulfur monoxide cation so+  
560 S2 Sulfur diatomic s2  
561 S2- sulfur diatomic anion s2-  
562 S2+ sulfur diatomic cation s2+  
563 SeO Selenium monoxide seo  
564 SeO- selenium monoxide anion seo-  
565 SeO+ selenium monoxide cation seo+  
566 SeS Selenium monosulfide ses  
567 SeS- selenium monosulfide anion ses-  
568 SeS+ selenium monosulfide cation ses+  
569 TeO Tellurium monoxide teo  
570 Se2 Selenium diatomic se2  
571 Se2- selenium diatomic anion se2-  
572 Se2+ selenium diatomic cation se2+  
573 Te2 Tellurium diatomic te2  
574 LiOH lithium hydroxide lioh  
575 NaOH sodium hydroxide naoh  
576 KOH Potassium hydroxide koh  
577 BeOH beryllium monohydroxide beoh  
578 MgOH magnesium hydroxide mgoh  
579 CaOH Calcium monohydroxide caoh  
580 HBO Boron hydride oxide hbo  
581 COH Hydroxymethylidyne coh  
582 COH+ Carbon Monoxide, protonated coh+  
583 HCO Formyl radical hco  
584 HCO- formyl anion hco-  
585 HCO+ Formyl cation hco+  
586 HCS Thioformyl radical hcs  
587 HCS- Thioformyl anion hcs-  
588 HCS+ Thioformyl cation hcs+  
589 HNO Nitrosyl hydride hno  
590 HNO- Nitrosyl hydride anion hno-  
591 HNO+ Nitrosyl hydride cation hno+  
592 NOH Hydroxyimidogen noh  
593 NOH+ O-protonated nitric oxide noh+  
594 HNS Sulfur imide hns  
595 HNS- Sulfur imide anion hns-  
596 HO2 Hydroperoxy radical ho2  
597 HO2- Hydroperoxy anion ho2-  
598 HO2+ Hydroperoxy cation ho2+  
599 HSO+ Sulfur Monoxide, S-protonated HSO+  
600 SOH Sulfur Hydroxide soh  
601 SOH+ Sulfur Monoxide, protonated soh+  
602 HS2 Thiosulfeno radical hs2  
603 H2CO Formaldehyde h2co  
604 H2CO- formaldehyde anion h2co-  
605 H2CO+ formaldehyde cation h2co+  
606 HOCH hydroxycarbene hoch  
607 H2CS- thioformaldehyde anion h2cs-  
608 H2CS+ thioformaldehyde cation h2cs+  
609 H2CSe Selenoformaldehyde h2cse  
610 H2NO nitroxide h2no  
611 H2O2 Hydrogen peroxide h2o2  
612 H2O2+ Hydrogen peroxide cation h2o2+  
613 H2OO water oxide h2oo  
614 HOSH hydrogen thioperoxide hosh  
615 H2Se2 hydrogen diselenide h2se2  
616 CH2OH Hydroxymethyl radical ch2oh  
617 CH2OH+ hydroxymethyl cation ch2oh+  
618 CH3O Methoxy radical ch3o  
619 CH3O- methoxy anion ch3o-  
620 CH3O+ Methoxy cation ch3o+  
621 CH3S thiomethoxy ch3s  
622 H2CSH+ Thioformaldehyde, protonated h2csh+  
623 NH2OH hydroxylamine nh2oh  
624 NH2OH+ Hydroxylamine cation nh2oh+  
625 NH3O Ammonia Oxide nh3o  
626 H2POH Phosphinous acid h2poh  
627 H3PO Phosphine oxide h3po  
628 NH2SH Thiohydroxylamine nh2sh  
629 NH3S sulfidoazane nh3s  
630 H3O2+ hydrogen peroxide, protonated h3o2+  
631 CH3OH Methyl alcohol ch3oh  
632 CH3OH- Methyl alcohol anion ch3oh-  
633 CH3OH+ Methyl alcohol cation ch3oh+  
634 CH3SH+ Methanethiol cation ch3sh+  
635 SiH3OH silanol sih3oh  
636 CH3SeH Methane selenol ch3seh  
637 NH2OH2+ protonated hydroxylamine nh2oh2+  
638 NH3OH+ N-protonated hydroxylamine nh3oh+  
639 H2OH2O water dimer h2oh2o  
640 CH3OH2+ Methanol, protonated ch3oh2+  
641 H2ONH3 Water Ammonia Dimer h2onh3  
642 H5O2+ Dihydroxonium ion h5o2+  
643 LiF lithium fluoride lif  
644 LiCl- lithium chloride anion licl-  
645 LiCl+ lithium chloride cation licl+  
646 NaF sodium fluoride naf  
647 NaF- sodium fluoride anion naf-  
648 NaF+ sodium fluoride cation naf+  
649 KF Potassium Fluoride kf  
650 NaCl Sodium Chloride nacl  
651 NaCl- sodium chloride anion nacl-  
652 NaCl+ sodium chloride cation nacl+  
653 KCl Potassium Chloride kcl  
654 CuF Copper monofluoride cuf  
655 LiBr Lithium Bromide libr  
656 LiBr- lithium bromide anion libr-  
657 LiBr+ lithium bromide cation libr+  
658 CuCl Copper monochloride cucl  
659 NaBr Sodium Bromide nabr  
660 NaBr- sodium bromide anion nabr-  
661 NaBr+ sodium bromide cation nabr+  
662 KBr Potassium Bromide kbr  
663 LiI Lithium Iodide lii  
664 NaI Sodium Iodide nai  
665 KI Potassium Iodide ki  
666 LiF- lithium fluoride anion lif-  
667 LiF+ lithium fluoride cation lif+  
668 BeF Beryllium monofluoride bef  
669 BeF- Beryllium monofluoride anion bef-  
670 BeF+ Beryllium monofluoride cation bef+  
671 BeCl beryllium monochloride becl  
672 MgF Magnesium monofluoride mgf  
673 MgF- magnesium fluoride anion mgf-  
674 MgF+ magnesium fluoride cation mgf+  
675 CaF Calcium monofluoride caf  
676 MgCl magnesium monochloride mgcl  
677 MgCl- magnesium monochloride anion mgcl-  
678 MgCl+ magnesium monochloride cation mgcl+  
679 CaCl calcium monochloride cacl  
680 TiCl Titanium Monochloride ticl  
681 ZnF Zinc monofluoride znf  
682 ZnF- Zinc monofluoride anion znf-  
683 ZnF+ Zinc monofluoride cation znf+  
684 ZnCl Zinc monochloride zncl  
685 CaBr Calcium monobromide cabr  
686 BeCl- beryllium monochloride anion becl-  
687 BeCl+ beryllium monochloride cation becl+  
688 BF Boron monofluoride bf  
689 BF- Boron monofluoride anion bf-  
690 BF+ Boron monofluoride cation bf+  
691 AlF- Aluminum monofluoride anion alf-  
692 AlF+ Aluminum monofluoride cation alf+  
693 BCl boron monochloride bcl  
694 BCl- boron monochloride anion bcl-  
695 BCl+ boron monochloride cation bcl+  
696 AlCl Aluminum monochloride alcl  
697 AlCl- aluminum monochloride anion alcl-  
698 AlCl+ aluminum monochloride cation alcl+  
699 ScF Scandium monofluoride scf  
700 BBr Boron monobromide bbr  
701 GaF Gallium monofluoride gaf  
702 GaF+ Gallium monofluoride cation gaf+  
703 AlBr Aluminum monobromide albr  
704 GaCl Gallium monochloride gacl  
705 GaCl+ Gallium monochloride cation gacl+  
706 AlI Aluminum monoiodide ali  
707 GaBr Gallium monobromide gabr  
708 CF Fluoromethylidyne cf  
709 CF- carbon monofluoride anion cf-  
710 CF+ carbon monofluoride cation cf+  
711 CCl carbon monochloride ccl  
712 CCl- carbon monochloride anion ccl-  
713 CCl+ carbon monochloride cation ccl+  
714 SiF silicon monofluoride sif  
715 SiF- silicon monofluoride anion sif-  
716 SiF+ silicon monofluoride cation sif+  
717 SiCl Clorosilylidyne sicl  
718 SiCl- silicon monochloride anion sicl-  
719 SiCl+ silicon monochloride cation sicl+  
720 CBr Carbon monobromide cbr  
721 GeF Germanium monofluoride gef  
722 GeF+ Germanium monofluoride cation gef+  
723 GeCl Germanium monochloride gecl  
724 SiBr Silicon monobromide sibr  
725 SiBr+ Silicon monobromide cation sibr+  
726 NF nitrogen fluoride nf  
727 NF- nitrogen monofluorine anion nf-  
728 NF+ nitrogen monofluoirde cation nf+  
729 NCl- nitrogen monochloride anion ncl-  
730 NCl+ nitrogen monochloride cation ncl+  
731 PF phosphorus monofluoride pf  
732 PF- phosphorus monofluoride anion pf-  
733 PF+ phosphorus monofluoride cation pf+  
734 PCl phosphorus chloride pcl  
735 PCl- phosphorus monochloride anion pcl-  
736 PCl+ phosphorus monochloride cation pcl+  
737 AsF Arsenic monofluoride asf  
738 NBr nitrogen monobromide nbr  
739 AsCl Arsenic monochloride ascl  
740 PBr Phosphorus monobromide pbr  
741 SbF Antimony monofluoride sbf  
742 SbCl Antimony monochloride sbcl  
743 FO Oxygen monofluoride fo  
744 FO- flourine oxide anion fo-  
745 FO+ fluorine monoxide cation fo+  
746 ClO Monochlorine monoxide clo  
747 ClO- chlorine monoxide anion clo-  
748 ClO+ chlorine monoxide cation clo+  
749 SF Monosulfur monofluoride sf  
750 SF- sulfur monofluoride anion sf-  
751 SF+ sulfur monofluoride cation sf+  
752 SCl- sulfur monochloride anion scl-  
753 BrO Bromine monoxide bro  
754 BrO- Bromine monoxide anion bro-  
755 BrO+ Bromine monoxide cation bro+  
756 SeF Selenium monofluoride sef  
757 SBr Sulfur monobromide radical sbr  
758 SBr+ Sulfur monobromide cation sbr+  
759 SeCl Selenium monochloride secl  
760 IO Iodine monoxide io  
761 SeBr Selenium monobromide sebr  
762 BrCl Bromine monochloride brcl  
763 F2 Fluorine diatomic f2  
764 F2- flourine diatomic anion f2-  
765 F2+ flourine diatomic cation f2+  
766 ClF Chlorine monofluoride clf  
767 ClF- clorine monofluoride anion clf-  
768 ClF+ clorine monofluoride cation clf+  
769 Cl2 Chlorine diatomic cl2  
770 Cl2- chlorine diatomic anion cl2-  
771 BrF Bromine monofluoride brf  
772 BrF- bromine fluoride anion brf-  
773 BrF+ bromine fluoride cation brf+  
774 BrCl- bromine chloride anion brcl-  
775 BrCl+ bromine chloride cation brcl+  
776 IF Iodine monofluoride if  
777 Br2 Bromine diatomic br2  
778 Br2- bromine diatomic anion br2-  
779 Br2+ bromine diatomic cation br2+  
780 ICl Iodine monochloride icl  
781 IBr Iodine monobromide ibr  
782 I2 Iodine diatomic i2  
783 I2+ Iodine diatomic cation i2+  
784 HCF Fluoromethylene hcf  
785 HCCl Chloromethylene hccl  
786 HSiF fluorosilylene hsif  
787 HSiCl Chlorosilylene hsicl  
788 HSiBr monobromosilylene hsibr  
789 CHBr bromomethylene chbr  
790 HOF Hypofluorous acid hfo  
791 DOCl Hypochlorous acid-d docl  
792 HOCl hypochlorous acid hocl  
793 HOCl+ hypochlorous acid cation hocl+  
794 HOBr Hypobromous acid hobr  
795 HOBr+ Hypobromous acid cation hobr+  
796 HOI Hypoiodous acid hoi  
797 F2H+ Fluorine, protonated f2h+  
798 FHF Hydrogen difluoride fhf  
799 FHF- Hydrogen difluoride anion fhf-  
800 ClFH+ Chlorine fluoride, F-protonated clfh+  
801 FClH+ Chlorine fluoride, Cl-protonated fclh+  
802 Cl2H+ Chlorine, protonated cl2h+  
803 CH2Br bromomethyl radical ch2br  
804 CH2F fluoromethyl radical ch2f  
805 CH2F+ fluoromethyl cation ch2f+  
806 CH2Cl+ chloromethyl cation ch2cl+  
807 CH2Cl chloromethyl radical ch2cl  
808 NH2F monofluoroamine nh2f  
809 NH2Cl chloramine nh2cl  
810 H2F2 Hydrogen fluoride dimer h2f2  
811 CH3F+ methyl fluoride cation ch3f+  
812 CD3F methylfluoride-d3 cd3f  
813 CH3F Methyl fluoride ch3f  
814 CD3Cl methyl chloride d3 cd3cl  
815 CH3Cl+ Methyl chloride cation ch3cl+  
816 CH3Br methyl bromide ch3br  
817 GeH3F monofluorogermane geh3f  
818 GeH3Cl monochlorogermane geh3cl  
819 SiH3Br bromosilane sih3br  
820 CH3I methyl iodide ch3i  
821 SiH3I Silyl Iodide sih3i  
822 NH3Cl+ protonated monochloroammonia nh3cl+  
823 CH3ClH+ methyl chloride, protonated ch3clh+  
824 NH4Cl Ammonium chloride nh4cl  
825 LiNe+ Lithium Neon cation line+  
826 Ne2 Neon diatomic ne2  
827 Ne2+ Neon diatomic cation ne2+  
828 Ar2 Argon diatomic ar2  
829 Ar2+ Argon diatomic cation ar2+  
830 Li3 Lithium trimer li3  
831 Li3+ Lithium trimer cation li3+  
832 C3 carbon trimer c3  
833 C3+ carbon trimer cation c3+  
834 SiC2 Silicon dicarbide sic2  
835 C3H3 cyclopropenyl radical cpr  
836 C3H3 Propargyl radical propargyl  
837 C3H3- Propargyl anion c3h3-  
838 C3H3+ cyclopropenyl cation cpr+  
839 C3H3+ Propargyl cation c3h3+  
840 C3H4 cyclopropene cprop  
841 CH2CCH2 allene allene  
842 CH3CCH propyne propyne  
843 C3H5 Allyl radical allyl  
844 C3H5+ Allyl cation allyl+  
845 CH3CHCH 1-propenyl radical ch3chch  
846 Zn(CH3)2 dimethyl zinc dmz  
847 C3H6 Cyclopropane c3h6  
848 CH2CHCH3 Propene propene  
849 C3H7 n-Propyl radical npropyl  
850 C3H7+ cyclopropane, protonated c3h7+  
851 CH3CHCH3 Isopropyl radical isopropyl  
852 CH3CHCH3+ Isopropyl cation prop2yl+  
853 C3H8 Propane propane  
854 SiH2(CH3)2 dimethylsilane dms  
855 LiCN lithium cyanide licn  
856 NaCN Sodium Cyanide nacn  
857 KCN Potassium cyanide kcn  
858 CuCN Copper cyanide cucn  
859 ZnCN Zinc monocyanide zncn  
860 ZnNC Zinc isocyanide znnc  
861 AlCN Aluminum monocyanide alcn  
862 AlNC Aluminum isocyanide alnc  
863 CN2 3H-Diazirin-3-ylidene cn2  
864 CNN Diazocarbene cnn  
865 NCN Cyanoimidogen ncn  
866 N3 azide radical n3  
867 N3- azide anion n3-  
868 N3+ azide cation n3+  
869 HCCN cyanomethylene hccn  
870 HCNN diazomethyl radical hcnn  
871 HN3 hydrogen azide hn3  
872 HN3+ Hydrazoic acid cation hn3+  
873 HNCNH diiminomethane hncnh  
874 CH2N2 diazirine ch2n2  
875 CH2NN diazomethane ch2nn  
876 NH2CN cyanamide cyanamide  
877 HNNNH+ 1,2-Triazadienium n2h3+  
878 NH2NN+ hydrazoic acid, protonated nh2nn+  
879 CH3CN Acetonitrile ch3cn  
880 CH3CN- acetonitrile anion ch3cn-  
881 CH3CN+ Acetonitrile cation ch3cn+  
882 CH3NC methyl isocyanide ch3nc  
883 CHNCH2 2H-Azirine c157164  
884 CHNHCH 1H-Azirine chnhch  
885 H2CCNH Ethenimine ch2cnh  
886 H2CNCH methyleneaminomethylene ch2nch  
887 HCCNH2 Ethynamine hccnh2  
888 HCNCH2+ 2H-Azirine cation hcnch2+  
889 HNCNH2+ diiminomethane, protonated hncnh2+  
890 NCNH3+ Cyanamide, protonated ncnh3+  
891 NH2CNH+ cyanamide, cn protonated nh2cnh+  
892 NH3CN+ cyanamide, amine protonated nh3cn+  
893 CH2CHNH vinylazine ch2chnh  
894 CH3CHN methylmethaniminyl radical ch3chn  
895 NHCHNH2 aminomethanimine cn2h4  
896 C2H5N Aziridine c2h5n  
897 CH2CHNH2 aminoethene aminoethene  
898 CH2NCH3 N-methylmethanimine nmm  
899 CH3CHNH ethanimine ethanimine  
900 NH2BHNH2 diaminoborane nh2bhnh2  
901 C2H5NH+ Protonated Aziridine c2h5nh+  
902 C2H6N+ aziridine, protonated c2h6n+  
903 NH2CH2NH2 diaminomethane nh2ch2nh2  
904 CH3CH2NH2 Ethylamine etam  
905 CH3NHCH3 Dimethylamine ch3nhch3  
906 CH3PHCH3 dimethylphosphine ch3phch3  
907 NH2CH2NH3+ diaminoethane, protonated pdam  
908 (CH3)2NH2+ dimethylammonium cation dmam  
909 CH3CH2NH3+ ethylamine, protonated pea  
910 Li2O dilithium oxide li2o  
911 Li2O+ dilithium oxide cation li2o+  
912 Li2S dilithium sulfide li2s  
913 Na2O disodium monoxide na2o  
914 LiO2 Lithium dioxide lio2  
915 NaO2 Sodium superoxide nao2  
916 CCO Dicarbon monoxide cco  
917 CNO- fulminate cno-  
918 NCO isocyanato radical nco  
919 NCO- cyanate nco-  
920 SCN thiocyanato radical scn  
921 SCN- thiocyanide anion scn-  
922 BO2 Boron dioxide bo2  
923 BO2- Boron dioxide anion bo2-  
924 BO2+ Boron dioxide cation bo2+  
925 N2O Nitrous oxide n2o  
926 N2O- Nitrous oxide anion n2o-  
927 N2O+ Nitrous oxide cation n2o+  
928 NNS Nitrogen sulfide nns  
929 PPO Phosphorus oxide phosphide ppo  
930 CO2 Carbon dioxide co2  
931 CO2- Carbon dioxide anion co2-  
932 CO2+ Carbon dioxide cation co2+  
933 OCS+ Carbonyl sulfide cation cos+  
934 SiO2 silicon dioxide sio2  
935 CS2 Carbon disulfide cs2  
936 CS2- Carbon disulfide anion cs2-  
937 CS2+ Carbon disulfide cation cs2+  
938 TiO2 Titanium dioxide tio2  
939 SiS2 Silicon disulfide sis2  
940 GeO2 Germanium dioxide geo2  
941 OCSe Carbonyl selenide ocse  
942 SCSe Carbon sulfide selenide scse  
943 GeS2 Germanium disulfide ges2  
944 CSe2 Carbon diselenide cse2  
945 SCTe Carbon sulfide Telluride scte  
946 NO2 Nitrogen dioxide no2  
947 NO2- Nitrogen dioxide anion no2-  
948 NO2+ Nitrogen dioxide cation no2+  
949 NSO sulfinyl amidogen NSO  
950 PO2 Phosphorus dioxide po2  
951 PO2- Phosphorus dioxide anion po2-  
952 PO2+ Phosphorus dioxide cation po2+  
953 SNO Nitrogen oxide sulfide sno  
954 AsO2 Aresenic dioxide aso2  
955 O3 Ozone o3  
956 O3- Ozone anion o3-  
957 O3+ Ozone cation o3+  
958 SO2- Sulfur dioxide anion so2-  
959 SO2+ Sulfur dioxide cation so2+  
960 SSO Disulfur monoxide sso  
961 S3 Sulfur trimer s3  
962 S3- Sulfur trimer anion s3-  
963 S3+ Sulfur trimer cation s3+  
964 SeO2 Selenium dioxide seo2  
965 SeO2+ Selenium dioxide cation seo2+  
966 TeO2 Tellurium Dioxide teo2  
967 HCCO ketenyl radical ketenyl  
968 CS2H+ Carbon disulfide, protonated cs2h+  
969 HCNO fulminic acid hcno  
970 HNCO Isocyanic acid hnco  
971 HOCN cyanic acid hocn  
972 HNCS Isothiocyanic acid hncs  
973 HSCN thiocyanic acid hscn  
974 HCO2- formate anion hco2-  
975 HNNO nitrosoazane hnno  
976 HNNO+ Nitrous oxide, N-protonated hnno+  
977 NNOH+ Nitrous Oxide, O-protonated nnoh+  
978 HCOO formate neutral radical hcoo  
979 HOCO Hydrocarboxyl radical hoco  
980 HOCO+ Hydrocarboxyl cation hoco+  
981 HNO2 Nitrous acid hno2  
982 HNO2+ nitrous acid cation hno2+  
983 O3H+ protonated ozone o3h+  
984 SO2H+ protonated sulfur dioxide so2h+  
985 C2H2O Oxirene oxirene  
986 CH2CO Ketene ch2co  
987 CH2CO+ Ketene cation ch2co+  
988 HCCOH ethynol hccoh  
989 Be(OH)2 Beryllium hydroxide beo2h2  
990 Mg(OH)2 Magnesium dihydroxide h2mgo2  
991 NH2NO Nitrosamide nh2no  
992 CH2O2 Dioxirane diox  
993 H2COO Dioxymethyl radical h2coo  
994 H2COO+ dioxymethyl cation h2coo+  
995 HCOOH Formic acid ch2o2  
996 H2O3 Hydrogen trioxide h2o3  
997 HSSSH trisulfane hsssh  
998 NaOCH3 Sodium methoxide naoch3  
999 CH2BOH hydroxy(methylene)borane ch2boh  
1000 BH3CO Borane carbonyl bh3co  
1001 CH3BO Borane, methyloxo- ch3bo  
1002 CH2CHO Vinyloxy radical ch2cho  
1003 CH2COH+ ketene, protonated ch2coh+  
1004 CH3CO Acetyl radical ch3co  
1005 CH3CO- Acetyl anion ch3co-  
1006 CH3CO+ acetyl cation ch3co+  
1007 CH2NOH formaldoxime ch2noh  
1008 CH3NO nitrosomethane ch3no  
1009 CHONH2 formamide formamide  
1010 CNOH3 1,2-oxaziridine cnoh3  
1011 HOCHNH hydroxymethylimine hochnh  
1012 CHSNH2 thioformamide chsnh2  
1013 NHCHSH Methanimidothioic acid nhchsh  
1014 CH2OOH CH2OOH radical ch2ooh  
1015 CH3OO methylperoxy radical ch3oo  
1016 CH3OO- methylperoxy anion ch3oo-  
1017 CH3OO+ methylperoxy cation ch3oo+  
1018 C2H4O Ethylene oxide c2h4o  
1019 C2H4O+ ethylene oxide cation c2h4o+  
1020 CH2CHOH ethenol ch2choh  
1021 CH3CHO Acetaldehyde ch3cho  
1022 CH3CHO+ acetaldehyde cation ch3cho+  
1023 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1024 C2H4S Thiirane thiirane  
1025 CH2CHSH Ethenethiol ch2chsh  
1026 CH3CHS Thioacetaldehyde ch3chs  
1027 H2CONH2+ protonated formamide h2conh2+  
1028 NH2CHOH+ Formamide, O-protonated nh2choh+  
1029 NH3CHO+ Formamide, N-Protonated nh3cho+  
1030 CH2(OH)2 methanediol ch2o2h2  
1031 CH3OOH Methyl peroxide ch3ooh  
1032 CH3SSH Hydrogen methyl disulfide ch3ssh  
1033 HSCH2SH Methanedithiol ch4s2  
1034 H2OH2CO water formaldehyde dimer h2oh2co  
1035 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1036 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1037 CH3CH2O Ethoxy radical ethoxy  
1038 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1039 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1040 CH3OCH2 methoxymethyl radical ch3och2  
1041 NH2CH2OH aminomethanol nh2ch2oh  
1042 CH3CH2OH Ethanol etoh  
1043 CH3OCH3 Dimethyl ether meome  
1044 CH3CH2SH ethanethiol etsh  
1045 CH3SCH3 Dimethyl sulfide mesme  
1046 CH3SCH3+ dimethyl sulfide cation mesme+  
1047 CH3SeCH3 dimethylselenide dmse  
1048 CH3OHH2O methanol water dimer ch3ohh2o  
1049 H2OCH3OH water methanol dimer h2och3oh  
1050 CuF2 Copper difluoride cuf2  
1051 ZnF2 Zinc difluoride znf2  
1052 CNF iso cyanogen fluoride cnf  
1053 FCN Cyanogen fluoride fcn  
1054 ClCN chlorocyanogen clcn  
1055 BrCN Cyanogen bromide brcn  
1056 ICN Cyanogen iodide icn  
1057 FBO Boron monofluoride monoxide fbo  
1058 BeF2 Beryllium fluoride bef2  
1059 MgF2 Magnesium fluoride mgf2  
1060 BeCl2 Beryllium chloride becl2  
1061 MgCl2 Magnesium dichloride mgcl2  
1062 CaCl2 Calcium Chloride cacl2  
1063 ZnCl2 Zinc dichloride zncl2  
1064 BeBr2 Beryllium bromide bebr2  
1065 CaBr2 Calcium dibromide cabr2  
1066 CaF2 Calcium difluoride caf2  
1067 FCO Carbonyl fluoride fco  
1068 FCO+ Carbonyl fluoride cation fco+  
1069 ClCO carbonyl monochloride clco  
1070 BF2 Boron difluoride radical bf2  
1071 FNO Nitrosyl fluoride fno  
1072 FNS Thionitrosyl fluoride fns  
1073 FSN Thiazyl fluoride fsn  
1074 BrNO Nitrosyl bromide brno  
1075 INO Nitrosyl iodide ino  
1076 CF2 Difluoromethylene cf2  
1077 CF2- Difluoromethylene anion cf2-  
1078 CF2+ Difluoromethylene cation cf2+  
1079 CFCl chlorofluoromethylene cfcl  
1080 SiF2+ Silicon difluoride cation sif2+  
1081 CCl2 dichloromethylene ccl2  
1082 CCl2- dichloromethylene anion ccl2-  
1083 CCl2+ dichloromethylene cation ccl2+  
1084 SiCl2 Dichlorosilylene sicl2  
1085 GeF2 Germanium difluoride gef2  
1086 GeCl2 Germanium dichloride gecl2  
1087 CBr2 dibromomethylene cbr2  
1088 FOO Dioxygen monofluoride radical foo  
1089 FOO+ Fluorine dioxide cation foo+  
1090 ClOO chloroperoxy radical cloo  
1091 ClOO+ chloroperoxy cation cloo+  
1092 OClO- Chlorine dioxide anion oclo-  
1093 OClO+ Chlorine dioxide cation oclo+  
1094 ClS2 Sulfur chloride cls2  
1095 BrOO Bromine dioxide broo  
1096 OBrO Bromine dioxide radical obro  
1097 NF2 Difluoroamino radical nf2  
1098 NF2+ Difluoroamino cation nf2+  
1099 PF2 Phosphorus difluoride pf2  
1100 PF2+ Phosphorus difluoride cation pf2+  
1101 F2O Difluorine monoxide f2o  
1102 SF2- sulfur difluoride anion sf2-  
1103 SF2+ sulfur difluoride cation sf2+  
1104 Cl2O Dichlorine monoxide cl2o  
1105 SCl2 Sulfur dichloride scl2  
1106 SeF2 Selenium difluoride sef2  
1107 BrOCl Bromine hypochlorite brocl  
1108 SeCl2 Selenium Dichloride secl2  
1109 SBr2 Sulfur dibromide sbr2  
1110 SeBr2 Selenium dibromide sebr2  
1111 BrOBr Bromine oxide brobr  
1112 F3- trifluoride anion f3-  
1113 Cl3- trichloride anion cl3-  
1114 Br3- tribromide anion br3-  
1115 I3- triiodide i3-  
1116 SFCl Sulfur chloride fluoride sfcl  
1117 HCCF Fluoroacetylene hccf  
1118 HCCF+ fluoroacetylene cation hccf+  
1119 HCCCl Chloroacetylene hcccl  
1120 HCCBr bromoacetylene hccbr  
1121 HFCO formyl fluoride hfco  
1122 HFCO+ formyl fluoride cation hfco+  
1123 COHCl Formyl chloride cohcl  
1124 COHBr Formyl bromide cohbr  
1125 BHF2 Difluoroborane bhf2  
1126 BHCl2 Borane, dichloro- bhcl2  
1127 CHCl2 dichloromethyl radical chcl2  
1128 CHF2 difluoromethyl radical chf2  
1129 CHF2+ difluoromethyl cation chf2+  
1130 CHFCl Chlorofluoromethyl radical chfcl  
1131 CHFCl+ Chlorofluoromethyl cation chfcl+  
1132 CHCl2+ dichloromethyl cation chcl2+  
1133 CHBr2 dibromomethyl radical chbr2  
1134 HOClO Chlorous acid hoclo  
1135 NHF2 difluoramine nhf2  
1136 NHCl2 dichloroamine nhcl2  
1137 CH2F2 Methane, difluoro- ch2f2  
1138 CH2FCl fluorochloromethane ch2fcl  
1139 CH2Cl2 Methylene chloride ch2cl2  
1140 CH2BrF Methane, bromofluoro- ch2fbr  
1141 CH2BrCl Methane, bromochloro- ch2clbr  
1142 CH2FI fluoroiodomethane ch2fi  
1143 CH2Br2 dibromomethane ch2br2  
1144 CH2ClI chloroiodomethane ch2cli  
1145 CH2BrI bromoiodomethane ch2bri  
1146 CH2I2 Diiodomethane ch2i2  
1147 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1148 CH2CHF Ethene, fluoro- ch2chf  
1149 CH2CHF+ fluoroethene cation ch2chf+  
1150 C2H3Cl Ethene, chloro- ch2chcl  
1151 C2H3Br vinyl bromide c2h3br  
1152 C2H3I Vinyl iodide c2h3i  
1153 CH2FOH fluoromethanol ch2foh  
1154 CH3OCl methyl hypochlorite ch3ocl  
1155 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1156 CHClCH3 1-chloroethyl radical chclch3  
1157 C2H5F fluoroethane c2h5f  
1158 CH3CH2Cl Ethyl chloride c2h5cl  
1159 CH3SiFH2 fluoromethylsilane ch3sifh2  
1160 C2H5Br Ethyl bromide etbr  
1161 C2H5I Ethyl iodide c2h5i  
1162 KrF2 Krypton difluoride krf2  
1163 XeF2 Xenon difluoride xef2  
1164 B4H10 Tetraborane(10) b4h10  
1165 C4 Carbon tetramer c4  
1166 C4+ Carbon tetramer cation c4+  
1167 C4H2 Diacetylene c4h2  
1168 C4H2+ diacetlyene cation c4h2+  
1169 C2H3CCH 1-Buten-3-yne c2h3cch  
1170 C4H4 cyclobutadiene cbd  
1171 C4H4 Tetrahedrane c4h4  
1172 H2CCCCH2 Butatriene h2cccch2  
1173 C4H6 1-Methylcyclopropene c3100047  
1174 C4H6 Cyclobutene c822355  
1175 C4H6 Methylenecyclopropane c6142730  
1176 CH2CCHCH3 1,2-Butadiene butad12  
1177 CH2CHCHCH2 1,3-Butadiene c106990  
1178 CH3CCCH3 2-Butyne c503173  
1179 CHCCH2CH3 1-Butyne c107006  
1180 CH3CHCHCH2 methylallyl radical c4h7  
1181 C4H8 methylcyclopropane mcp  
1182 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1183 CH2CHCH2CH3 1-Butene bute1  
1184 CH3CHCHCH3 2-Butene, (E)- bute2e  
1185 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1186 B(CH3)3 trimethylborane bme3  
1187 Al(CH3)3 trimethyl aluminum tma  
1188 C(CH3)3 Tert-butyl radical tbutyl  
1189 CH2CH(CH3)2 Isobutyl radical isobutyl  
1190 CH3CHCH2CH3 2-Butyl radical butyl2  
1191 CH3CH(CH3)CH3 Isobutane isobutane  
1192 CH3CH2CH2CH3 Butane butane  
1193 SiH(CH3)3 trimethylsilane trimsi  
1194 Li3N trilithium nitride li3n  
1195 C2N2 Cyanogen c2n2  
1196 C2N2+ Cyanogen cation c2n2+  
1197 P4 Phosphorus tetramer p4  
1198 As4 Arsenic tetramer as4  
1199 HCCCN Cyanoacetylene hcccn  
1200 HCCCN+ Cyanoacetylene cation hcccn+  
1201 H2CNCN cyanamide, methylene ch2ncn  
1202 HNCCNH Ethenediimine hnccnh  
1203 C3H3N acrylonitrile ch2chcn  
1204 C3H3N+ acrylonitrile cation ch2chcn+  
1205 CH3N3 methyl azide ch3n3  
1206 NH2CCNH2 Diaminoacetylene daa  
1207 NH2CH2CN Aminoacetonitrile aan  
1208 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1209 C2H5CN ethyl cyanide c2h5cn  
1210 CH5N3 Guanidine guanidine  
1211 C4H6 Bicyclo[1.1.0]butane c157335  
1212 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1213 H2NCHCHNH2 diaminoethylene dae  
1214 CH6N3+ guanidinium ch6n3+  
1215 C3H7N Cyclopropylamine cpram  
1216 CH7N3 triaminomethane tam  
1217 C3H7N Azetidine azet  
1218 C4H8 cyclobutane cbutane  
1219 C2H8N2 Ethylenediamine ethdiam  
1220 CH3NHNHCH3 dimethyl hydrazine dmh  
1221 CH3CH(NH2)CH3 2-Propanamine pram2  
1222 N(CH3)3 Trimethylamine trimeam  
1223 NH2CH2CH2CH3 1-Propanamine pram1  
1224 P(CH3)3 trimethylphosphine tmp  
1225 N(SiH3)3 trisilylamine tsa  
1226 As(CH3)3 trimethyl arsine tmas  
1227 (CH3)3NH+ protonated trimethyl amine ptma  
1228 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1229 Li2O2 dilithium dioxide li2o2  
1230 Na2O2 disodium dioxide na2o2  
1231 K2O2 dipotassium dioxide k2o2  
1232 C3O Tricarbon monoxide c3o  
1233 B2O2 Diboron dioxide b2o2  
1234 ONNO NO dimer onno  
1235 CO3 Carbon trioxide co3  
1236 CO3-- carbonate co3--  
1237 CS3-- Carbonotrithioate cs3--  
1238 NO3 Nitrogen trioxide no3  
1239 NO3- nitrate anion no3-  
1240 NO3+ nitrogen trioxide cation no3+  
1241 SO3- Sulfur trioxide anion so3-  
1242 SO3-- Sulfate dianion so3--  
1243 SO3+ Sulfur trioxide cation so3+  
1244 SeO3 selenium trioxide seo3  
1245 S4 Sulfur tetramer s4  
1246 TeO3 Tellurium trioxide teo3  
1247 HCO3- bicarbonate anion hco3-  
1248 HNO3 Nitric acid hno3  
1249 HSO3 Hydroxysulfonyl radical hso3  
1250 NH2NO2 nitramide nh2no2  
1251 C2H2CO cyclopropenone c2h2co  
1252 C3H2O Propadienal c3h2o  
1253 HCCCHO 2-propynal hcccho  
1254 C2H2O2 Ethanedial c2h2o2  
1255 C2H2O2+ Ethanedial cation c2h2o2+  
1256 H2CO3 Carbonic acid h2co3  
1257 H2CS3 thiocarbonic acid h2cs3  
1258 H2NO3+ Nitric Acid, Protonated h2no3+  
1259 H2SO3 Sulfurous acid h2so3  
1260 C2H3NO Nitrosoethylene c2h3no  
1261 CH3NCO methylisocyante ch3nco  
1262 HOCH2CN cyanomethanol hoch2cn  
1263 CH3COO- acetate anion ch3coo-  
1264 CH3NO2 Methane, nitro- ch3no2  
1265 CH3ONO Methyl nitrite ch3ono  
1266 NH2COOH Carbamic acid nh2cooh  
1267 H3BO3 Boric acid h3bo3  
1268 H3AlO3 Aluminum hydroxide h3alo3  
1269 H3CO3+ carbonic acid, protonated h3co3+  
1270 C3H4O 2-Propyn-1-ol c107197  
1271 C3H4O allenol c9000071  
1272 C3H4O Cyclopropanone cpone  
1273 C3H4O Methylketene c6004440  
1274 CH2CHCHO Acrolein c3h4o  
1275 NH2CONH2 Urea urea  
1276 NH2CONH2+ Urea cation urea+  
1277 NH2CSNH2 Thiourea thiourea  
1278 C2H4O2 1,3-dioxetane c2h4o2  
1279 CH3COOH Acetic acid ch3cooh  
1280 CH3OCHO methyl formate ch3ocho  
1281 CHOCH2OH hydroxy acetaldehyde haa  
1282 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1283 NH3COOH+ protonated Carbamic acid nh3cooh+  
1284 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1285 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1286 HCOOHH2O Formic acid water dimer hcoohh2o  
1287 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1288 CH3COCH2 Acetonyl radical ch3coch2  
1289 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1290 CH3C(OH)=NH Ethaninidic acid eia  
1291 CH3CHNOH Acetaldoxime acetaldoxime  
1292 CH3CONH2 Acetamide acetamide  
1293 HCONHCH3 N-methylformamide nmfa  
1294 CH3CSNH2 Ethanethioamide ch3csnh2  
1295 CH5N2O+ urea, N-protonated ch4n2o+  
1296 H2NCOHNH2+ urea, protonated ureah+  
1297 C2H5OO ethylperoxy radical c2h5oo  
1298 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1299 C3H5OH Cyclopropanol cproh  
1300 C3H6O 2-Propen-1-ol c107186  
1301 C3H6O Acetone enol enol  
1302 C3H6O Oxetane oxetane  
1303 C3H6O Propylene oxide prox  
1304 CH3CH2CHO Propanal propanal  
1305 CH3COCH3 Acetone acetone  
1306 CH3COCH3- acetone anion ch3coch3-  
1307 C3H6S Thietane thietane  
1308 C3H6S Thiirane, methyl- methiirane  
1309 CH3CSCH3 Thioacetone ch3csch3  
1310 C2H6O2 1,2-Ethanediol ethdiol  
1311 CH3OOCH3 dimethylperoxide dmp  
1312 CH3SOCH3 Dimethyl sulfoxide dmso  
1313 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1314 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1315 CH3COHCH3+ acetone, protonated acetoneh+  
1316 HOCH2CH2NH2 monoethanolamine mea  
1317 C3H7OH 1-Propanol proh  
1318 CH3CHOHCH3 Isopropyl alcohol isoproh  
1319 CH3OC2H5 Ethane, methoxy- etome  
1320 C3H7SH 1-Propanethiol prsh  
1321 CH3CHSHCH3 2-Propanethiol isoprsh  
1322 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1323 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1324 Li2F2 Lithium fluoride dimer li2f2  
1325 Na2F2 Sodium Fluoride Dimer na2f2  
1326 Na2Cl2 Disodium dichloride na2cl2  
1327 C2F2 difluoroacetylene c2f2  
1328 C2Cl2 dichloroacetylene c2cl2  
1329 C2Cl2+ dichloroacetylene cation c2cl2+  
1330 FNO2 Nitryl fluoride fno2  
1331 FONO Nitrosyl hypofluorite fono  
1332 ClNO2 Nitryl chloride clno2  
1333 ClONO chlorine nitrite clono  
1334 BrONO Bromine nitrite brono  
1335 N2F2 (Z)-Difluorodiazene n2f2_z  
1336 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1337 CF2O Carbonic difluoride f2co  
1338 CF2O+ Carbonic difluoride cation f2co+  
1339 COFCl Carbonic chloride fluoride cofcl  
1340 CCl2O Phosgene cl2co  
1341 Cl2CS Thiophosgene cl2cs  
1342 COBr2 Carbonic dibromide cobr2  
1343 BF3 Borane, trifluoro- bf3  
1344 BF3- Borane, trifluoro- anion bf3-  
1345 BF3+ boron trifluoride cation bf3+  
1346 AlF3 Aluminum trifluoride alf3  
1347 BClF2 Chlorodifluoroborane bclf2  
1348 AlF2Cl Aluminum chloride difluoride alclf2  
1349 ScF3 Scandium trifluoride ScF3  
1350 AlFCl2 Aluminum dichloride fluoride alcl2f  
1351 BCl3 Borane, trichloro- bcl3  
1352 BCl3+ Boron Trichloride cation bcl3+  
1353 GaF3 Gallium trifluoride gaf3  
1354 AlCl3 Aluminum trichloride alcl3  
1355 GaCl3 Gallium trichloride gacl3  
1356 BBr3 Boron tribromide bbr3  
1357 AlBr3 Aluminum Bromide albr3  
1358 ClO3 Chlorine trioxide clo3  
1359 ClO3- chlorate anion clo3-  
1360 BrO3- Bromate anion bro3-  
1361 CF3 Trifluoromethyl radical cf3  
1362 CF3- Trifluoromethyl anion cf3-  
1363 CF3+ Trifluoromethyl cation cf3+  
1364 CF2Cl difluorochloromethyl radical cf2cl  
1365 SiF3 Silicon trifluoride radical sif3  
1366 SiF3+ Silicon trifluoride cation sif3+  
1367 CFCl2 dichlorofluoromethyl radical cfcl2  
1368 CCl3 Trichloromethyl radical ccl3  
1369 CCl3- Trichloromethyl anion ccl3-  
1370 CCl3+ Trichloromethyl cation ccl3+  
1371 SiCl3 trichlorosilyl radical sicl3  
1372 SiCl3+ trichlorosilyl cation sicl3+  
1373 CBr3 tribromomethyl radical cbr3  
1374 FOOF Perfluoroperoxide foof  
1375 F2SO Thionyl Fluoride f2so  
1376 ClOOCl Dichlorine dioxide cloocl  
1377 FSSF Difluorodisulfane fssf  
1378 S2F2 Thio-thionyl fluoride s2f2  
1379 SOCl2 thionyl chloride socl2  
1380 SSCl2 Thiothionyl chloride sscl2  
1381 SeOCl2 selenium oxychloride seocl2  
1382 NF3 Nitrogen trifluoride nf3  
1383 NF3- Nitrogen trifluoride anion nf3-  
1384 NF3+ Nitrogen trifluoride cation nf3+  
1385 PF3 Phosphorus trifluoride pf3  
1386 NCl3 nitrogen trichloride ncl3  
1387 AsF3 Arsenic trifluoride asf3  
1388 PCl3 Phosphorus trichloride pcl3  
1389 SbF3 Antimony Trifluoride sbf3  
1390 AsCl3 Arsenous trichloride ascl3  
1391 SbCl3 Antimony Trichloride sbcl3  
1392 NBr3 Nitrogen Tribromide nbr3  
1393 PBr3 Phosphorus tribromide pbr3  
1394 AsBr3 Arsenic tribromide asbr3  
1395 NI3 Nitrogen triiodide ni3  
1396 PI3 Phosphorus triiodide pi3  
1397 ClSSCl Disulfur dichloride s2cl2  
1398 SF3 Sulfur trifluoride sf3  
1399 BrF3 Bromine trifluoride brf3  
1400 IF3 iodone trifluoride if3  
1401 HClO3 Chloric Acid hclo3  
1402 CHF3 Methane, trifluoro- chf3  
1403 CHF2Cl difluorochloromethane chf2cl  
1404 CHFCl2 fluorodichloromethane chfcl2  
1405 CDCl3 trichloromethane-d cdcl3  
1406 CHCl3 Chloroform chcl3  
1407 CHBrF2 Methane, bromodifluoro- chbrf2  
1408 SiHCl3 Trichlorosilane sihcl3  
1409 CHFClBr fluorochlorobromomethane chfclbr  
1410 CHBrCl2 Methane, bromodichloro- chbrcl2  
1411 CHF2I difluoroiodomethane chf2i  
1412 CHBr2F dibromofluoromethane chbr2f  
1413 CHFClI fluorochloroiodomethane chfcli  
1414 CHCl2I dichloroiodomethane chcl2i  
1415 CHClBr2 Methane, dibromochloro- chclbr2  
1416 CHBr3 bromoform chbr3  
1417 CHI3 Iodoform chi3  
1418 NF3H+ protonated nitrogen trifluoride nf3h+  
1419 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1420 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1421 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1422 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1423 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1424 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1425 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1426 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1427 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1428 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1429 C2H2Br2 1,1-dibromoethene c2h2br2  
1430 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1431 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1432 CH2FCHO Fluoroacetaldehyde ch2fcho  
1433 CH3COF Acetyl fluoride ch3cof  
1434 CH2ClCHO chloroacetaldehyde ch2clcho  
1435 CH3COCl Acetyl Chloride ch3cocl  
1436 C2H4F2 1,2-difluoroethane c2h4f2  
1437 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1438 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1439 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1440 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1441 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1442 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1443 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1444 CH2CFCH3 2-fluoropropene 2fpro  
1445 CH2CHCH2F Allyl Fluoride allylf  
1446 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1447 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1448 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1449 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1450 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1451 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1452 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1453 CH2FCH2CH3 1-Fluoropropane prf1  
1454 CH3CHFCH3 2-Fluoropropane prf2  
1455 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1456 CH3CHClCH3 Propane, 2-chloro- prcl2  
1457 CH3CH2CH2Br n-propyl bromide prbr  
1458 CH3CHBrCH3 i-propyl bromide iprbr  
1459 C3H9O+ trimethyl oxonium cation c3h9o+  
1460 B5H9 pentaborane9 b5h9  
1461 C5H4 pentatetraene ptrene  
1462 C5H5 cyclopentadienyl radical c5h5  
1463 C5H5- cylopentadienyl anion c5h5-  
1464 C5H6 1,3-Cyclopentadiene c542927  
1465 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1466 C5H6 3-Penten-1-yne, (E)- c2004695  
1467 C5H6 3-Penten-1-yne, (Z)- c1574409  
1468 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1469 C5H6 Cyclopropylacetylene c6746947  
1470 C5H6 Propellane propellane  
1471 C5H7 1,3-pentadienyl radical pdyl  
1472 C5H7 cyclopentenyl radical cpyl  
1473 C5H8 1,2-Butadiene, 3-methyl- c598254  
1474 C5H8 1,2-Pentadiene c591957  
1475 C5H8 1,3-Butadiene, 2-methyl- c78795  
1476 C5H8 1,3-Pentadiene, (E)- c2004708  
1477 C5H8 1,3-Pentadiene, (Z)- c1574410  
1478 C5H8 1,4-Pentadiene c591935  
1479 C5H8 1-pentyne a1pentyne  
1480 C5H8 2,3-Pentadiene c591968  
1481 C5H8 Bicyclo[1.1.1]pentane bcp  
1482 C5H8 Cyclobutane, methylene- c1120565  
1483 C5H8 Cyclopentene c142290  
1484 C5H8 Ethenylcyclopropane c693867  
1485 CH3CCCH2CH3 2-Pentyne 2pentyne  
1486 C5H10 1-Butene, 2-methyl- c563462  
1487 C5H10 2-Butene, 2-methyl- c513359  
1488 C5H10 2-Pentene, (E)- c646048  
1489 C5H10 2-Pentene, (Z)- c627203  
1490 C5H10 Cyclopentane c287923  
1491 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1492 CH2CHCH2CH2CH3 1-pentene pentene  
1493 C5H11 2-Methylbut-2-yl radical c4348350  
1494 C5H12 Butane, 2-methyl- buta2  
1495 C5H12 Pentane pentane  
1496 C5H12 Propane, 2,2-dimethyl- neopentane  
1497 Si(CH3)4 tetramethylsilane tms  
1498 N2O3 Dinitrogen trioxide n2o3  
1499 C3H2N2 Malononitrile c3h2n2  
1500 CH2N4 1H-Tetrazole 1htz  
1501 C3H3N2 imidazolyl radical im  
1502 C3H3N2- imidizolyl anion im-  
1503 C2H3N3 1H-1,2,4-Triazole c288880  
1504 C4H4N pyrrolide radical c4h4n  
1505 C4H4N- pyrrolide anion c4h4n-  
1506 C3H4N2 1H-Imidazole 1himidaz  
1507 C3H4N2 1H-Pyrazole 1hpyraz  
1508 C3H4N2 2H-Imidazole imid2h  
1509 C3H4N2 4H-Imidazole imid4h  
1510 C4H5N (E)-2-Butenenitrile c627269  
1511 C4H5N (Z)-2-Butenenitrile c1190767  
1512 C4H5N 2H-pyrrole pyrrole2  
1513 C4H5N 3H-pyrrole pyrrole3  
1514 C4H5N Cyclopropanecarbonitrile c5500210  
1515 C4H5N Pyrrole pyrrole  
1516 CH2CHCH2CN Allylcyanide ch2chch2cn  
1517 C4H6N+ pyrrole, alpha-protonated appyr  
1518 C4H6N+ pyrrole, beta-protonated bppyr  
1519 C4H6N+ pyrrole, protonated ppyr  
1520 C3H6N2 3-Aminopropionitrile c151188  
1521 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1522 CH3CH2CH2CN Butanenitrile c109740  
1523 C5H8 Bicyclo[2.1.0]pentane c185944  
1524 C5H8 Spiropentane c157404  
1525 C4H9N Cyclobutylamine cbam  
1526 C4H9N Pyrrolidine pyrrolidine  
1527 C3H10N2 1,2-Diaminopropane diampr12  
1528 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1529 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1530 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1531 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1532 NH(C2H5)2 diethylamine dea  
1533 NC4H12+ tetramethyl ammonium cation nc4h12+  
1534 C3O2 Carbon suboxide c3o2  
1535 C3O2+ Carbon suboxide cation c3o2+  
1536 B2O3 diboron trioxide b2o3  
1537 MgCO3 Magnesium Carbonate mgco3  
1538 BeCO3 Beryllium Carbonate beco3  
1539 CaCO3 Calcium Carbonate caco3  
1540 ONONO Nitrosyl nitrite onono  
1541 PO4--- phosphate po4---  
1542 SO4-- sulfate so4--  
1543 HOONO2 peroxy nitric acid hoono2  
1544 HSO4- bisulfate anion hso4-  
1545 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1546 C3H2O2 Propiolic acid c3h2o2  
1547 CHOCOOH oxo acetic acid oaa  
1548 CHOOCHO diformyl ether choocho  
1549 H2SO4 Sulfuric acid h2so4  
1550 H2SeO4 Selenic acid h2seo4  
1551 C3H3NO Isoxazole isox  
1552 C3H3NO Oxazole oxazole  
1553 C3H3NS Thiazole thiazole  
1554 CH3C(O)OO acetyl peroxy radical ch3coo2  
1555 CH3NO3 Methyl nitrate ch3no3  
1556 H3PO4 Phosphoric Acid h3po4  
1557 C4H4O Furan furan  
1558 C4H4O+ Furan cation furan+  
1559 CH3COCCH 3-butyn-2-one c1423605  
1560 C4H4S Thiophene furans  
1561 C4H4Se selenophene c4h4se  
1562 C3H4O2 β–Propiolactone beta  
1563 C3H4O2 2-Propenoic acid propenoic2  
1564 C3H4O2 Methyl glyoxal megly  
1565 C3H4O2 propanedial propanedial  
1566 C3H4O2 propenalol propenalol  
1567 HOCHCCHOH allenediol aldiol  
1568 C2H4O3 1,2,3-trioxolane c2h4o3  
1569 C2H4O3 trioxolane124 triox  
1570 HOCH2COOH Hydroxyacetic acid hac  
1571 CH2CHCONH2 Acrylamide c79061  
1572 CH3OCH2CN Methoxyacetonitrile c1738369  
1573 CH5N3S Hydrazinecarbothioamide c79196  
1574 H2NCH2COOH Glycine glycine  
1575 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1576 C4H6O cis-2-butenal butenal2c  
1577 C4H6O Cyclobutanone cbutone  
1578 C4H6O Furan, 2,3-dihydro- furan23h  
1579 C4H6O Furan, 2,5-dihydro- furan25h  
1580 CH2CHOCHCH2 Vinyl ether vinylether  
1581 CHOCHCHCH3 2-Butenal butenal2  
1582 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1583 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1584 CH2CHSCHCH2 Divinyl sulfide divis  
1585 C2H6N2O Urea, methyl- c598505  
1586 C3H6O2 1,3-Dioxolane dioxolane  
1587 CH3CH2COOH Propanoic Acid propanoic  
1588 CH3COOCH3 methyl acetate aame  
1589 HCOOC2H5 Ethyl formate faee  
1590 C2H6O2S Dimethyl sulfone c67710  
1591 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1592 C3H7NO dimethylformamide dmf  
1593 C3H7NO Propanamide propanam  
1594 C2H3OC2H5 Ethene, ethoxy- c109922  
1595 C4H8O Cyclobutanol c2919235  
1596 C4H8O Furan, tetrahydro- thf  
1597 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1598 CH3COCH2CH3 2-Butanone buta2one  
1599 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1600 CHOCH2CH2CH3 Butanal butanal  
1601 C4H8S Thiophene, tetrahydro- tht  
1602 C3H8O2 1,3-Propanediol c504632  
1603 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1604 C3H8O2 Methane, dimethoxy- c109875  
1605 C3H8O2 Propylene glycol c57556  
1606 C3H8S2 1,3-Propanedithiol c109808  
1607 C4H10O 1-Butanol butanol1  
1608 C4H10O 1-Propanol, 2-methyl- c78831  
1609 C4H10O 2-Butanol, (.+/-.)- butanol2  
1610 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1611 C4H10O Ethoxy ethane etoet  
1612 C4H10O Methyl propyl ether meopr  
1613 C4H10O Propane, 2-methoxy- c598538  
1614 C4H10O+ 1-Butanol cation butanol1+  
1615 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1616 C2H5SC2H5 Diethyl sulfide etset  
1617 C4H9SH 1-Butanethiol bush  
1618 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1619 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1620 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1621 FNO3 Fluorine nitrate fno3  
1622 ClONO2 Chlorine nitrate clono2  
1623 BrONO2 Bromine nitrate brono2  
1624 TiCl4 Titanium tetrachloride ticl4  
1625 ClO4- perchlorate anion clo4-  
1626 BF4- tetrafluoroboron anion bf4-  
1627 ClFO3 Perchloryl fluoride clfo3  
1628 SO2F2 Sulfuryl fluoride so2f2  
1629 SO2Cl2 Sulfuryl chloride so2cl2  
1630 F3NO Nitrogen trifluoride oxide f3no  
1631 F3PO Phosphoryl fluoride pf3o  
1632 Cl3PO Phosphoryl chloride pcl3o  
1633 CF4 Carbon tetrafluoride cf4  
1634 CF3Cl Methane, chlorotrifluoro- cf3cl  
1635 SiF4 Silicon tetrafluoride sif4  
1636 CF2Cl2 difluorodichloromethane cf2cl2  
1637 TiF4 Titanium tetrafluoride tif4  
1638 CFCl3 Trichloromonofluoromethane cfcl3  
1639 CF3Br Bromotrifluoromethane cf3br  
1640 GeF4 Germanium tetrafluoride gef4  
1641 CCl4 Carbon tetrachloride ccl4  
1642 CCl4+ Carbon tetrachloride cation ccl4+  
1643 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1644 SiCl4 Silane, tetrachloro- sicl4  
1645 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1646 CF3I trifluoroiodomethane cf3i  
1647 CBrCl3 Methane, bromotrichloro- cbrcl3  
1648 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1649 GeCl4 Germanium Tetrachloride gecl4  
1650 CBr2ClF dibromochlorofluoromethane cbr2clf  
1651 CBr2Cl2 dibromodichloromethane cbr2cl2  
1652 CCl3I trichloroiodomethane ccl3i  
1653 CFBr3 fluorotribromomethane cfbr3  
1654 CFClBrI fluorochlorobromoiodomethane cfclbri  
1655 CBr3Cl tribromochloromethane cbr3cl  
1656 CF2I2 difluorodiiodomethane cf2i2  
1657 CBr4 Carbon tetrabromide cbr4  
1658 CCl2I2 dichlorodiiodomethane ccl2i2  
1659 SiBr4 Silicon tetrabromide sibr4  
1660 CBr3I tribromoiododmethane cbr3i  
1661 GeBr4 Germanium tetrabromide gebr4  
1662 CI4 tetraiodomethane ci4  
1663 SiI4 silicon tetraiodide sii4  
1664 ClOF3 Chlorine trifluoride oxide clof3  
1665 SF4 Sulfur tetrafluoride sf4  
1666 SeF4 Selenium tetrafluoride sef4  
1667 SCl4 Sulfur tetrachloride scl4  
1668 C2HF3 Trifluoroethylene c2hf3  
1669 C2HF3+ Trifluoroethylene cation c2hf3+  
1670 CHClCCl2 Trichloroethylene chclccl2  
1671 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1672 HClO4 perchloric acid hclo4  
1673 HSO3F Fluorosulfonic acid hso3f  
1674 CF3OH trifluoromethanol cf3oh  
1675 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1676 CHClCCHCl 1,3-dichloroallene chclcchcl  
1677 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1678 CHCl2CHO dichloroacetaldehyde chcl2cho  
1679 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1680 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1681 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1682 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1683 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1684 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1685 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1686 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1687 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1688 NH3BCl3 Amminetrichloroboron nh3bcl3  
1689 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1690 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1691 C3H5ClO Oxirane, (chloromethyl)- c106898  
1692 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1693 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1694 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1695 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1696 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1697 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1698 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1699 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1700 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1701 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1702 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1703 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1704 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1705 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1706 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1707 C4H9F 1-fluorobutane butaf1  
1708 CH3CHFCH2CH3 2-fluorobutane butaf2  
1709 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1710 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1711 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1712 XeF4 Xenon tetrafluoride xef4  
1713 C2H2N2O Furazan furazan  
1714 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1715 NH3BF3 Amminetrifluoroboron nh3bf3  
1716 C6H2 hexatriyne c6h2  
1717 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1718 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1719 C6H4 Benzyne benzyne  
1720 C6H5 phenyl phenyl  
1721 C6H5- phenyl anion phenyl-  
1722 C6H6 Prismane prismane  
1723 C6H6 1,2,4,5-Hexatetraene ht1245  
1724 C6H6 2,4-Hexadiyne hexadiyne  
1725 C6H6 3,4-Dimethylenecyclobutene cb34m  
1726 C6H6 Benzene benzene  
1727 C6H6 Benzvalene bv  
1728 C6H6 Dewar Benzene dewar  
1729 C6H6 Hexa-1,5-diene-3-yne hdy153  
1730 C6H6 Trimethylenecycopropane tmcp  
1731 C6H6+ Benzene cation c6h6+  
1732 C6H7+ benzene, protonated c6h7+  
1733 C6H8 (E)-hexa-1,3,5-triene c821078  
1734 C6H8 (E)-hexa-2,3,4-triene c59660650  
1735 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1736 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1737 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1738 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1739 C6H8 3-Methylenecyclopentene c930267  
1740 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1741 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1742 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1743 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1744 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1745 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1746 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1747 C6H10 1,5-Hexadiene c592427  
1748 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1749 C6H10 1-Hexyne hexyne1  
1750 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1751 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1752 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1753 C6H10 2-Hexyne c764352  
1754 C6H10 3-Hexyne hexyne3  
1755 C6H10 cyclohexene cyclohexene  
1756 C6H10 Cyclopentene, 1-methyl- c693890  
1757 C6H10 Cyclopentene, 3-methyl- c1120623  
1758 C6H10 Cyclopentene, 4-methyl- c1759815  
1759 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1760 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1761 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1762 C6H12 (E)-2-Hexene e2hexene  
1763 C6H12 (E)-3-methylpent-2-ene c616126  
1764 C6H12 (E)-hex-3-ene e3hexene  
1765 C6H12 (Z)-3-methylpent-2-ene c922623  
1766 C6H12 (Z)-hex-2-ene z2hexene  
1767 C6H12 (Z)-hex-3-ene z3hexene  
1768 C6H12 2,3-dimethylbut-1-ene c563780  
1769 C6H12 2,3-dimethyl-but-2-ene tmeet  
1770 C6H12 3-methylenepentane c760214  
1771 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1772 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1773 C6H12 Cyclohexane cyclohexane  
1774 C6H12 Cyclopentane, methyl- c96377  
1775 C6H12 Ethylcyclobutane c4806615  
1776 C6H12 hex-1-ene hexene1  
1777 C6H14 Butane, 2,2-dimethyl- buta22  
1778 C6H14 Butane, 2,3-dimethyl- buta23  
1779 C6H14 Hexane hexane  
1780 C6H14 Pentane, 2-methyl- penta2  
1781 C6H14 Pentane, 3-methyl- penta3  
1782 C4N2 2-Butynedinitrile c4n2  
1783 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1784 C4H2N2 Fumaronitrile c4h2n2  
1785 C2H2N4 sym-tetrazine ttz  
1786 C3H3N3 1,3,5-Triazine triazine135  
1787 CH3N5 5-Aminotetrazole c4418615  
1788 C4H4N2 1,3-Diazine diazine13  
1789 C4H4N2 Pyrazine pyrazine  
1790 C4H4N2 Pyridazine pyridazine  
1791 C4H4N2 Succinonitrile c110612  
1792 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1793 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1794 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1795 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1796 C5H5N E-2,4-pentadienenitrile bdcn  
1797 C5H5N Pyridine pyridine  
1798 B3N3H6 borazine borazine  
1799 C6H6 Fulvene fulvene  
1800 C5H6N+ Pyridinium c5h6n  
1801 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1802 C5H7N (E)-2-Pentenenitrile c26294984  
1803 C5H7N (E)-3-Pentenenitrile c16529661  
1804 C5H7N (Z)-2-Pentenenitrile c25899507  
1805 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1806 C5H7N Cyclobutanecarbonitrile c4426113  
1807 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1808 C5H9N Butanenitrile, 2-methyl- c18936179  
1809 C5H9N Pentanenitrile c110598  
1810 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1811 C6H10 Bicyclo[3.1.0]hexane c285585  
1812 C5H11N Cyclopentanamine cypentam  
1813 C5H11N Piperidine piper  
1814 C4H12N2 1,2-Butanediamine c4426486  
1815 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1816 Li2CO3 Lithium Carbonate li2co3  
1817 Na2CO3 Sodium Carbonate na2co3  
1818 C2O4-- oxalate anion c2o4  
1819 MgSO4 Magnesium Sulfate mgso4  
1820 N2O4 Dinitrogen tetroxide n2o4  
1821 C3H2O3 vinylene carbonate vica  
1822 C2H2O4 Oxalic Acid oxalic  
1823 C2H3NO3 Oxamic acid oxamic  
1824 C4H4O2 2(5H)-Furanone furanone  
1825 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1826 C2H4N2O2 Oxalamide oxalamide  
1827 C2H4N2S2 Ethanedithioamide c79403  
1828 C2H4CO3 Ethylene carbonate etco3  
1829 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1830 C3H4S3 1,3-Dithiolane-2-thione c822388  
1831 C2H4O4 Formic acid dimer fadimer  
1832 C4H5NO 3-Methylisoxazole isox3m  
1833 C4H5NO Isoxazole, 5-methyl- c5765446  
1834 C4H5NS 4-Methylthiazole c693958  
1835 C2H5NO3 Nitric acid, ethyl ester c625581  
1836 C5H6O 2H-Pyran pyran2  
1837 C5H6O 2-methylfuran furan2m  
1838 C5H6O 3-Methylfuran furan3m  
1839 C5H6O Pentadienal pdal  
1840 C5H6S Thiophene, 2-methyl- c554143  
1841 C5H6S Thiophene, 3-methyl- c616444  
1842 C4H6O2 γ–Butyrolactone c96480  
1843 C4H6O2 2,3-Butanedione c431038  
1844 C4H6O2 2-Propenoic acid, methyl ester c96333  
1845 C4H6O2 Crotonic Acid crot  
1846 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1847 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1848 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1849 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1850 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1851 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1852 C4H6OS Vinyl sulfoxide c1115157  
1853 CH6N4S Carbonothioic dihydrazide thiacarb  
1854 C2H6N2O2 (E)-Azodioxymethane c37765154  
1855 C2H6N2O2 Dimethylnitroamine c4164287  
1856 C3H6O3 1,3,5-Trioxane trioxane  
1857 C3H6S3 1,3,5-Trithiane c3h6s3  
1858 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1859 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1860 C4H7NO 2-Pyrrolidinone c616455  
1861 C4H7NO Ethoxyacetonitrile etoaccn  
1862 C4H7NO Methacrylamide c79390  
1863 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1864 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1865 C3H7ONO Propyl nitrite prono  
1866 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1867 CH3CH(NH2)COOH Alanine alanine  
1868 CH3NHCH2COOH Sarcosine sarcosine  
1869 NH2CH2CH2COOH β–alanine betaalanine  
1870 NH2COOC2H5 Urethane urethane  
1871 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1872 C5H8O Cyclopentanone c120923  
1873 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1874 C5H8O Methyl cyclopropyl ketone c765435  
1875 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1876 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1877 NH2CONHC2H5 Urea, ethyl- c625525  
1878 C4H8O2 1,3-Dioxane dioxan13  
1879 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1880 C4H8O2 1,4-Dioxane dioxan14  
1881 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1882 C4H8O2 Ethyl acetate c141786  
1883 C4H8OS s-Ethyl thioacetate c625605  
1884 C3H8O3 1,2,3-Propanetriol glycerin  
1885 C3H8O2S (Methylsulfonyl)ethane c594434  
1886 C4H9NO Butanamide c541355  
1887 C4H9NO Propanamide, 2-methyl- c563837  
1888 C5H10O 2-Butanone, 3-methyl- c563804  
1889 C5H10O 2H-Pyran, tetrahydro- c142687  
1890 C5H10O 2-methylbutyraldehyde 2meba  
1891 C5H10O 2-Pentanone mpk  
1892 C5H10O 3-Pentanone dek  
1893 C5H10O Cyclopentanol c96413  
1894 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1895 C5H10O Pentanal pal  
1896 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1897 C5H10S 3-Ethylthio-1-propene c5296628  
1898 C5H10S Cyclopentanethiol c1679078  
1899 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1900 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1901 C4H10O2 1,1-Dimethoxyethane c534156  
1902 C4H10O2 1,3-Butanediol budiol13  
1903 C4H10O2 1,4-Butanediol budiol14  
1904 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1905 C4H10OS Diethyl sulfoxide c70291  
1906 C4H10S2 1,4-Butanedithiol budisl14  
1907 C4H11NO Diethylhydroxylamine c3710847  
1908 C5H12O 1-Butanol, 2-methyl- c137326  
1909 C5H12O 1-Butanol, 3-methyl- c123513  
1910 C5H12O 1-Pentanol pentanol1  
1911 C5H12O 2-Butanol, 3-methyl- c598754  
1912 C5H12O 2-Pentanol peol2  
1913 C5H12O 3-Pentanol pentan3ol  
1914 C5H12O Butane, 1-methoxy- meobu  
1915 C5H12O Propane, 1-ethoxy- proet  
1916 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1917 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1918 C5H12S 1-Butanethiol, 3-methyl- c541311  
1919 C5H12S 1-Pentanethiol c110667  
1920 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1921 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1922 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1923 C5H12S Butane, 1-(methylthio)- c628295  
1924 C5H12S Ethyl propyl sulfide c4110503  
1925 C5H12S Propane, 2-(ethylthio)- c5145993  
1926 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1927 C4F2 difluorobutadiyne c4f2  
1928 ClCOClCO Oxalyl chloride oxcl  
1929 CF3CN Acetonitrile, trifluoro- cf3cn  
1930 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1931 B2F4 Diboron tetrafluoride b2f4  
1932 B2Cl4 Diboron tetrachloride b2cl4  
1933 C2F4 Tetrafluoroethylene c2f4  
1934 C2F4+ Tetrafluoroethylene cation c2f4+  
1935 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1936 CF2CCl2 difluorodichloroethylene cf2ccl2  
1937 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1938 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1939 C2FCl3 fluorotrichloroethene c2fcl3  
1940 C2Cl4 Tetrachloroethylene c2cl4  
1941 C2Br4 tetrabromoethene c2br4  
1942 CF3OF Trifluoromethylhypofluorite cf3of  
1943 SOF4 Sulfur tetrafluoride oxide sof4  
1944 PF5 Phosphorus pentafluoride pf5  
1945 AsF5 Arsenic pentafluoride asf5  
1946 PCl5 Phosphorus pentachloride pcl5  
1947 SF5 Sulfur pentafluoride sf5  
1948 SF5+ pentafluoro sulfur cation sf5+  
1949 SbCl5 Antimony pentachloride sbcl5  
1950 BrF5 bromine pentafluoride brf5  
1951 ClF5 chlorinepentafluoride clf5  
1952 IF5 pentafluoroiodine if5  
1953 CF3CHO trifluoroacetaldehyde cf3cho  
1954 CCl3CHO trichloroacetaldehyde ccl3cho  
1955 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1956 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1957 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1958 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1959 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1960 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1961 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1962 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1963 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1964 CF3COOH trifluoroacetic acid cf3cooh  
1965 C4H3ClO Furan, 2-chloro fur2cl  
1966 C4H3ClO Furan,3-chloro fur3cl  
1967 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1968 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1969 C4H8Cl2 1,4-Dichlorobutane c110565  
1970 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1971 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1972 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1973 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1974 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1975 C5H11Cl Pentane, 1-chloro- pencl1  
1976 C4H8O2 Butanoic acid bua  
1977 C6H5CH2 benzyl radical benzyl  
1978 C7H7 cycloheptatrienyl radical c7h7  
1979 C7H7+ cycloheptatrienyl cation c7h7+  
1980 C6H5CH3 toluene toluene  
1981 C7H8 cycloheptatriene cht  
1982 C7H8 Norbornadiene norbor  
1983 C7H8 Quadricyclane qucy  
1984 C7H12 Norbornane nor  
1985 C7H14 cycloheptane c7h14  
1986 C7H16 2-methylhexane 2mhex  
1987 C7H16 3-methylhexane hex3m  
1988 C7H16 heptane heptane  
1989 CH(CN)3 tricyanomethane mecn3  
1990 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1991 C6H7N 2-Methylpyridine mp  
1992 C6H5NH2 aniline aniline  
1993 C6H13N 2-Methylpiperidine pip2m  
1994 C6H13N cyclohexanamine cham  
1995 C6H15N triethylamine tea  
1996 N2O5 Dinitrogen pentoxide n2o5  
1997 C4H2O3 Maleic Anhydride malan  
1998 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1999 C5H4O2 furfural furfural  
2000 C6H5O phenoxy radical phenoxy  
2001 C5H5NO 2(1H)-Pyridinone c72762006  
2002 C5H5NO 2(3H)-Pyridinone c9000048  
2003 C5H5NO 2(5H)-Pyridinone c9000037  
2004 C5H5NO 2-Pyridinol c109104  
2005 C5H5NO 3(2H)-Pyridinone c9000004  
2006 C5H5NO 3(4H)-Pyridinone c9000026  
2007 C5H5NO 3(6H)-Pyridinone c9000015  
2008 C5H5NO 3-Pyridinol c109002  
2009 C5H5NO 4(1H)-Pryidinone c9000060  
2010 C5H5NO 4(3H)-Pryidinone c9000059  
2011 C5H5NO 4-Pyridinol c626642  
2012 C6H5OH phenol phenol  
2013 C6H6O 2,4-Cyclohexadienone c24599573  
2014 C6H6O 2,5-Cyclohexadienone c5664335  
2015 C6H5SH Benzenethiol phsh  
2016 HO2CCHNH2CH2OH Serine serine  
2017 C5H8O2 Acetylacetone acac  
2018 C4H8O2S Sulfolane sulfolane  
2019 C7H10 Norbornene norbornene  
2020 CH(C2H3)3 trivinyl methane tvm  
2021 C6H10O cyclohexanone chexo  
2022 C6H12O hexanal c6h12o  
2023 C6H12O Oxepane oxepane  
2024 C3H7OC3H7 di-n-propyl ether propr  
2025 F2CCCF2 tetrafluoroallene pfa  
2026 CF3COO- trifluoro acetate anion cf3coo-  
2027 CF3COF trifluoroacetyl fluoride cf3cof  
2028 CF3COCl trifluoroacetyl chloride cf3cocl  
2029 PF6 Hexafluorophosphate neutral pf6  
2030 PF6- Hexafluorophosphate ion pf6-  
2031 SF6 Sulfur Hexafluoride sf6  
2032 SeF6 Selenium hexafluoride sef6  
2033 SF5Cl sulfur chloropentafluoride sf5cl  
2034 CF3CHF2 pentafluoroethane cf3chf2  
2035 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2036 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2037 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2038 CCl3CHCl2 pentachloroethane ccl3chcl2  
2039 C6H5F Fluorobenzene bzf  
2040 C6H5Cl chlorobenzene bzcl  
2041 C6H5Br bromobenzene bzbr  
2042 C8H6 Calicene calicene  
2043 C6H5CCH phenylacetylene phac  
2044 C8H6 benzocyclobutadiene bcbd  
2045 C8H6 Pentalene pentalene  
2046 C6H5CHCH2 Styrene styrene  
2047 C8H8 cubane cubane  
2048 C8H8 cyclooctatetraene cot  
2049 C6H5CH2CH3 Ethylbenzene etbz  
2050 CH3C6H4CH3 meta-xylene mxylene  
2051 CH3C6H4CH3 paraxylene pxylene  
2052 C8H14 Bicyclo[2.2.2]octane bico222  
2053 C8H16 cyclooctane cyclooct  
2054 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2055 C8H18 Octane c8h18  
2056 C6H5CN phenyl cyanide phcn  
2057 C6H12N2 Triethylenediamine ted  
2058 C4O4-- squarate dianion c4o4--  
2059 S4N4 Tetrasulfur tetranitride s4n4  
2060 S8 Octasulfur s8  
2061 C6H4O2 parabenzoquinone pbq  
2062 C4H4N2O2 Uracil uracil  
2063 C6H5CHO benzaldehyde benzal  
2064 C6H5OCH3 Anisole anisole  
2065 C5H9NO2 Proline proline  
2066 C6H12O2 Methyl pivalate c598981  
2067 C6H12O2 Hexanoic acid hexa  
2068 C4F4 tetrafluorcyclobutadiene c4f4  
2069 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2070 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2071 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2072 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2073 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2074 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2075 C2F6 hexafluoroethane c2f6  
2076 C2Cl6 hexachloroethane c2cl6  
2077 IF7 Iodine heptafluoride if7  
2078 C6H4F2 metadifluorobenzene mdfb  
2079 C6H4F2 orthodifluorobenzene odfb  
2080 C6H4F2 1,4-difluorobenzene pdfb  
2081 C6H4Cl2 1,2-dichlorobenzene dcb12  
2082 C6H4Cl2 1,3-dichlorobenzene dcb13  
2083 C6H4Cl2 1,4-dichlorobenzene dcb14  
2084 C6H5NO nitrosobenzene bzno  
2085 C9H8 Indene indene  
2086 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2087 C9H12 n-propyl benzene prbz  
2088 C9H20 Nonane nonane  
2089 C(CN)4 tetracyanomethane c5n4  
2090 C5H4N4 purine purine  
2091 C8H7N Indole indole  
2092 C3H3N3O3 cyanuric acid cyanuric  
2093 C6H5NO2 Nitrobenzene c6h5no2  
2094 C6H5COOH benzoic acid benzo  
2095 CH3COC6H5 acetophenone acph  
2096 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2097 C3F6 hexafluoropropene c3f6  
2098 C6H3F3 Benzene trifluoride 123 bzf3a  
2099 C8H18O 1-Octanol octanol  
2100 C10H8 Azulene azu  
2101 C10H8 naphthalene naph  
2102 C10H10 bullvalene bullv  
2103 C10H16 adamantane adamantane  
2104 C6N4 Tetracyanoethylene tcne  
2105 C6N4- tetracyanoethylene anion tcne-  
2106 C10H22 Decane decane  
2107 C4F6 perfluorobutadiene c4f6  
2108 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2109 C3F8 perfluoropropane c3f8  
2110 Fe(CO)5 Iron pentacarbonyl ipc  
2111 Fe(C5H5)2 ferrocene fecp2  
2112 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2113 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2114 C12H8 Acenaphthylene acenaph  
2115 C12H8 biphenylene biph  
2116 C12H10 biphenyl biphenyl  
2117 C12H10 Heptalene heptalene  
2118 C6H12O6 Inositol inositol  
2119 C6F6 hexafluorobenzene c6f6  
2120 S2F10 disulphur decafluoride s2f10  
2121 C13H10 Fluorene fluorene  
2122 C14H10 Anthracene anth  
2123 C14H10 Phenanthrene phenanthrene  
2124 C14H14 Bibenzyl bibenzyl  
2125 C12H10N2 azobenzene azobenzene  
2126 C6H5COC6H5 benzophenone benzophenone  
2127 C16H10 Pyrene pyrene  
2128 C18H12 Tetracene tetracene  
2129 C19H16 Triphenylmethane tpm  
2130 C24H12 Coronene coronene  
2131 C60 Buckminsterfullerene c60