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

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

List of which calculations are completed at CISD /cc-pVTZ-PP

Jump to calculations not yet done
count Species Name State Conformation
1 Ga Gallium atom 2P 
2 Ga- Gallium atom anion 3POh
3 Ga+ Gallium atom cation 1S 
4 GaH Gallium monohydride 1ΣC∞v
5 GaH+ Gallium monohydride cation 2ΣC∞v
6 Ge Germanium atom 3PKh
7 Ge- Germanium anion 4SKh
8 Ge+ Germanium cation 2PKh
9 Sn Tin atom   
10 Sn+ Tin cation   
11 GeH germylidene 2ΠC∞v
12 GeH2 germylene 1A1C2v
13 GeH3 Germyl radical 2A1C3v
14 GeH3+ germyl cation 1A1'D3h
15 SnH4 Stannane   
16 As Arsenic atomic 4SKh
17 Sb Antimony atom   
18 AsH Arsenic monohydride 3ΣC∞v
19 SbH Antimony monohydride   
20 AsH3 Arsine 1A1C3v
21 AsH3+ Arsine cation 2A1C3v
22 SbH3 Stibine   
23 AsH4+ Arsonium   
24 Se Selenium atom 3PKh
25 Se- Selenium atom anion 2PKh
26 Se+ Selenium atom cation 4SKh
27 Te Tellurium atom   
28 Te+ Tellurium atom cation   
29 HSe Selenium monohydride 2ΠC∞v
30 HSe- selenium monohydride anion 1ΣC∞v
31 HSe+ selenium monohydride cation 3ΣC∞v
32 TeH Telluryl radical   
33 H2Se Hydrogen selenide 1A1C2v
34 H2Se+ Hydrogen selenide cation 2B1C2v
35 H2Te Hydrogen Telluride   
36 H3Se+ Hydrogen Selenide, protonated 1A1C3v
37 Br Bromine atom 2PKh
38 Br- Bromine atom anion 1SKh
39 Br+ Bromine atom cation 3PKh
40 I Iodine atom 2PKh
41 I- Iodine atom anion 1SKh
42 I+ Iodine atom cation 3PKh
43 HBr hydrogen bromide 1ΣC∞v
44 HBr- hydrogen bromide anion 2ΣC∞v
45 HBr+ hydrogen bromide cation 2ΠC∞v
46 HI Hydrogen iodide 1ΣC∞v
47 HI+ Hydrogen iodide cation   
48 H2Br+ protonated hydrogen bromide 2A1C2v
49 H2I+ Iodonium   
50 Xe Xenon atom 1SKh
51 XeH+ Xenon, protonated 1ΣC∞v
52 GeC Germanium monocarbide 1ΣC∞v
53 GaAs Gallium arsenide 3Π 
54 GaAs Gallium arsenide 1Σ 
55 LiSe Lithium monoselenide   
56 GaO Gallium monoxide 2ΣC∞v
57 CSe Carbon monoselenide 1ΣC∞v
58 GeO Germanium monoxide 1ΣC∞v
59 GeSe Germanium monoselenide   
60 SeO Selenium monoxide 3ΣC∞v
61 TeO Tellurium monoxide   
62 Se2 Selenium diatomic 3ΣgD∞h
63 Te2 Tellurium diatomic   
64 H2CSe Selenoformaldehyde   
65 H2Se2 hydrogen diselenide   
66 LiBr Lithium Bromide 1ΣC∞v
67 LiI Lithium Iodide   
68 NaI Sodium Iodide   
69 GaF Gallium monofluoride 1ΣC∞v
70 GaCl Gallium monochloride 1ΣGC∞v
71 AlI Aluminum monoiodide   
72 GaBr Gallium monobromide   
73 CBr Carbon monobromide 2ΠC∞v
74 GeF Germanium monofluoride 2ΠC∞v
75 GeCl Germanium monochloride 2ΠC∞v
76 BrO Bromine monoxide 2ΠC∞v
77 BrO+ Bromine monoxide cation   
78 SBr Sulfur monobromide radical   
79 SBr+ Sulfur monobromide cation   
80 IO Iodine monoxide   
81 SeBr Selenium monobromide   
82 BrCl Bromine monochloride 1ΣC∞v
83 BrF Bromine monofluoride 1ΣC∞v
84 IF Iodine monofluoride 1ΣC∞v
85 Br2 Bromine diatomic 1ΣgD∞h
86 Br2- bromine diatomic anion 2ΣuD∞h
87 Br2+ bromine diatomic cation 2ΠgD∞h
88 ICl Iodine monochloride 1ΣC∞v
89 IBr Iodine monobromide 1ΣC∞v
90 I2 Iodine diatomic 1ΣgD∞h
91 I2+ Iodine diatomic cation 2ΠgD∞v
92 HSiBr monobromosilylene   
93 HOI Hypoiodous acid   
94 CH2Br bromomethyl radical   
95 CH3Br methyl bromide 1A1C3v
96 GeH3Cl monochlorogermane   
97 CH3I methyl iodide 1A1C3v
98 SiH3I Silyl Iodide   
99 GeO2 Germanium dioxide 1ΣgD∞h
100 SCTe Carbon sulfide Telluride   
101 SeO2 Selenium dioxide 1A1C2v
102 TeO2 Tellurium Dioxide   
103 BrCN Cyanogen bromide 1ΣC∞v
104 ICN Cyanogen iodide 1ΣC∞v
105 BeBr2 Beryllium bromide   
106 CaBr2 Calcium dibromide   
107 GeCl2 Germanium dichloride 1A1C2v
108 BrOO Bromine dioxide   
109 SeF2 Selenium difluoride   
110 SBr2 Sulfur dibromide   
111 SeBr2 Selenium dibromide   
112 Br3- tribromide anion   
113 I3- triiodide   
114 CHBr2 dibromomethyl radical   
115 CH2BrCl Methane, bromochloro- 1A'Cs
116 CH2FI fluoroiodomethane   
117 CH2Br2 dibromomethane 1A1C2v
118 CH2ClI chloroiodomethane   
119 CH2BrI bromoiodomethane   
120 CH2I2 Diiodomethane   
121 C2H3I Vinyl iodide   
122 C2H5Br Ethyl bromide 1A'Cs
123 C2H5I Ethyl iodide   
124 XeF2 Xenon difluoride   
125 As4 Arsenic tetramer 1A1Td
126 TeO3 Tellurium trioxide   
127 GaF3 Gallium trifluoride 1A1'D3h
128 GaCl3 Gallium trichloride 1A1'D3h
129 CBr3 tribromomethyl radical   
130 SbF3 Antimony Trifluoride   
131 SbCl3 Antimony Trichloride   
132 NBr3 Nitrogen Tribromide 1A1C3v
133 NI3 Nitrogen triiodide   
134 PI3 Phosphorus triiodide   
135 IF3 iodone trifluoride   
136 CHBrF2 Methane, bromodifluoro- 1A'Cs
137 CHBrCl2 Methane, bromodichloro- 1A'Cs
138 CHF2I difluoroiodomethane   
139 CHFClI fluorochloroiodomethane   
140 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
141 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
142 CF3Br Bromotrifluoromethane 1A1C3v
143 GeF4 Germanium tetrafluoride 1A1Td
144 CBr2ClF dibromochlorofluoromethane   
145 CCl3I trichloroiodomethane   
146 CFClBrI fluorochlorobromoiodomethane   
147 CF2I2 difluorodiiodomethane   
148 CBr4 Carbon tetrabromide 1A1Td
149 CCl2I2 dichlorodiiodomethane   
150 GeBr4 Germanium tetrabromide   
151 CI4 tetraiodomethane   
152 SiI4 silicon tetraiodide   
153 XeF4 Xenon tetrafluoride   
154 C2Br4 tetrabromoethene   
155 IF5 pentafluoroiodine   

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 BH Boron monohydride bh  
77 BH- boron monohydride anion bh-  
78 BH+ boron monohydride cation bh+  
79 AlH aluminum monohydride alh  
80 AlH- aluminum monohydride anion alh-  
81 AlH+ aluminum monohydride cation alh+  
82 ScH Scandium monohydride sch  
83 ScH+ Scandium monohydride cation sch+  
84 BH2 boron dihydride bh2  
85 BH2- boron dihydride anion bh2-  
86 BH2+ Boron dihydride cation bh2+  
87 AlH2 aluminum dihydride alh2  
88 AlH2- aluminum dihydride anion alh2-  
89 AlH2+ aluminum dihydride cation alh2+  
90 BH3 boron trihydride bh3  
91 BH3- boron trihydride anion bh3-  
92 BH3+ boron trihydride cation bh3+  
93 AlH3 aluminum trihydride alh3  
94 AlH3- aluminum trihydride anion alh3-  
95 AlH3+ aluminum trihydride cation alh3+  
96 ScH3 Scandium trihydride sch3  
97 GaH3 Gallium trihydride gah3  
98 BH4 borohydride bh4  
99 BH4- borohydride anion bh4-  
100 AlH4- Aluminum tetrahydride anion alh4-  
101 C Carbon atom c  
102 C- Carbon atom anion c-  
103 C+ Carbon atom cation c+  
104 Si Silicon atom si  
105 Si- Silicon atom anion si-  
106 Si+ Silicon atom cation si+  
107 Ti Titanium atom ti  
108 Ti- Titanium atom anion ti-  
109 Ti+ Titanium atom cation ti+  
110 CH Methylidyne ch  
111 CH- methylidyne anion ch-  
112 CH+ Methylidyne cation ch+  
113 SiH Silylidyne sih  
114 SiH- silicon monohydride anion sih-  
115 SiH+ silicon monohydride cation sih+  
116 GeH+ Germaniun monohyrdide cation geh+  
117 CH2 Methylene ch2  
118 CH2- methylene anion ch2-  
119 CH2+ methylene cation ch2+  
120 SiH2 silicon dihydride sih2  
121 SiH2- silicon dihydride anion sih2-  
122 SiH2+ silicon dihydride cation sih2+  
123 GeH2- germylene anion geh2-  
124 CH3 Methyl radical ch3  
125 CH3- methyl anion ch3-  
126 CH3+ methyl cation ch3+  
127 SiH3 Silyl radical sih3  
128 SiH3- Silyl anion sih3-  
129 SiH3+ Silyl cation sih3+  
130 CD4 methane-d4 cd4  
131 CH2D2 methane-d2 ch2d2  
132 CH3D methane-d ch3d  
133 CH4 Methane ch4  
134 CH4- Methane anion ch4-  
135 CH4+ Methane cation ch4+  
136 CHD3 methane-d3 chd3  
137 SiH2D2 silane-d2 sih2d2  
138 SiH4 Silane sih4  
139 SiH4+ Silane cation sih4+  
140 GeH4 Germane geh4  
141 SiH5+ Silane, protonated sih5+  
142 N Nitrogen atom n  
143 N- Nitrogen atom anion n-  
144 N+ Nitrogen atom cation n+  
145 P Phosphorus atom p  
146 P- Phosphorus atom anion p-  
147 P+ Phosphorus atom cation p+  
148 V Vanadium atom v  
149 V+ Vanadium atom cation v+  
150 As- Arsenic anion as-  
151 As+ Arsenic cation as+  
152 NH Imidogen nh  
153 NH- Imidogen anion nh-  
154 NH+ imidogen cation nh+  
155 PH phosphorus monohydride ph  
156 PH- phosphorus monohydride anion ph-  
157 PH+ phosphorus monohydride cation ph+  
158 AsH+ Arsenic monohydride cation ash+  
159 ND2 Amidogen-d2 nd2  
160 NH2 Amino radical nh2  
161 NH2- amino anion nh2-  
162 NH2+ Amino cation nh2+  
163 PH2 Phosphino radical ph2  
164 PH2- Phosphino anion ph2-  
165 PH2+ Phosphino cation ph2+  
166 AsH2 Arsenic dihydride ash2  
167 AsH2+ Arsenic dihydride cation ash2+  
168 ND3 Ammonia-d3 nd3  
169 NH3 Ammonia nh3  
170 NH3- Ammonia anion nh3-  
171 NH3+ ammonia cation nh3+  
172 PH3 Phosphine ph3  
173 PH3+ Phosphine cation ph3+  
174 NH4 Ammonium radical nh4  
175 NH4+ ammonium cation nh4+  
176 PH4 Phosphoranyl radical ph4  
177 PH4+ phosphonium cation ph4+  
178 O Oxygen atom o  
179 O- Oxygen atom anion o-  
180 O+ Oxygen atom cation o+  
181 S Sulfur atom s  
182 S- Sulfur atom anion s-  
183 S+ Sulfur atom cation s+  
184 Cr Chromium atom cr  
185 DO Hydroxyl-d od  
186 OH Hydroxyl radical oh  
187 OH- hydroxide anion oh-  
188 OH+ hydoxyl cation oh+  
189 DS Mercapto-d ds  
190 HS Mercapto radical hs  
191 HS- mercapto anion sh-  
192 HS+ sulfur monohydride cation sh+  
193 CrH Chromium hydride crh  
194 CrH+ Chromium hydride cation crh+  
195 D2O Deuterium oxide d2o  
196 H2O Water h2o  
197 H2O- water anion h2o-  
198 H2O+ water cation h2o+  
199 HDO Water-d1 hdo  
200 D2S Hydrogen sulfide-d2 d2s  
201 H2S Hydrogen sulfide h2s  
202 H2S- Hydrogen sulfide anion h2s-  
203 H2S+ Hydrogen sulfide cation h2s+  
204 H3O+ hydronium cation h3o+  
205 H3S+ Sulfonium cation h3s+  
206 F Fluorine atom f  
207 F- Fluorine atom anion f-  
208 F+ Fluorine atom cation f+  
209 Cl Chlorine atom cl  
210 Cl- Chlorine atom anion cl-  
211 Cl+ Chlorine atom cation cl+  
212 Mn Manganese atom mn  
213 DF Hydrofluoric acid-d df  
214 HF Hydrogen fluoride hf  
215 HF- hydrogen fluoride anion hf-  
216 HF+ hydrogen fluoride cation hf+  
217 DCl Hydrochloric acid-d dcl  
218 HCl Hydrogen chloride hcl  
219 HCl- hydrogen chloride anion hcl-  
220 HCl+ hydrogen chloride cation hcl+  
221 H2F+ dihydrogen fluoride cation h2f+  
222 H2Cl+ dihydrogen monochloride cation h2cl+  
223 Ne Neon atom ne  
224 Ne- Neon atom anion ne-  
225 Ne+ Neon atom cation ne+  
226 Ar Argon atom ar  
227 Ar- Argon atom anion ar-  
228 Ar+ Argon atom cation ar+  
229 Fe Iron atom fe  
230 Kr Krypton atom kr  
231 Kr+ Krypton cation kr+  
232 HeLi+ Helium Lithium cation heli+  
233 NeH neon hydrogen neh  
234 NeH+ neon hydrogen cation neh+  
235 ArH+ Argon hydride cation arh+  
236 KrH+ Protonated Krypton krh+  
237 H2Ar H2 Ar dimer h2ar  
238 Co Cobalt atom cobalt  
239 Ni Nickel atom ni  
240 Li2 Lithium diatomic li2  
241 Li2- lithium diatomic anion li2-  
242 Li2+ lithium diatomic cation li2+  
243 NaLi lithium sodium lina  
244 NaLi- lithium sodium anion lina-  
245 NaLi+ lithium sodium cation lina+  
246 LiK Lithium Potassium lik  
247 Na2 Sodium diatomic na2  
248 Na2- sodium diatomic anion na2-  
249 Na2+ sodium diatomic cation na2+  
250 NaK Sodium Potassium nak  
251 NaK+ Sodium Potassium diatomic cation nak+  
252 K2 Potassium diatomic k2  
253 Cu2 Copper diatomic cu2  
254 LiBe Lithium Beryllium libe  
255 LiMg Lithium magnesium limg  
256 NaBe Sodium Beryllium nabe  
257 NaMg Sodium Magnesium namg  
258 Be2 Beryllium diatomic be2  
259 Be2- Beryllium diatomic anion be2-  
260 Be2+ Beryllium diatomic cation be2+  
261 BeMg Beryllium Magnesium bemg  
262 Mg2 Magnesium diatomic mg2  
263 Mg2- magnesium diatomic anion mg2-  
264 Mg2+ magnesium diatomic cation mg2+  
265 Ca2 Calcium diatomic ca2  
266 LiB Lithium boride lib  
267 LiAl Lithium Aluminum lial  
268 NaAl Sodium aluminum naal  
269 BeB Beryllium monoboride beb  
270 B2 Boron diatomic b2  
271 B2- Boron diatomic anion b2-  
272 B2+ Boron diatomic cation b2+  
273 BAl Boron Aluminum bal  
274 Al2 Aluminum diatomic al2  
275 Al2- aluminum diatomic anion al2-  
276 Al2+ aluminum diatomic cation al2+  
277 BGa Boron Gallium bga  
278 AlGa Aluminum Gallium alga  
279 Ga2 Gallium diatomic ga2  
280 HBBH Diborane(2) hbbh  
281 LiBH4 Lithium borohydride libh4  
282 B2H4 Diborane(4) D2d b2h4  
283 HBHHBH Diborane(4) C2V hbhhbh  
284 B2H6 Diborane b2h6  
285 B2H6+ Diborane cation b2h6  
286 Al2H6 dialane al2h6  
287 Ga2H6 digallane ga2h6  
288 LiC Lithium Carbide lic  
289 BeC Beryllium Carbide bec  
290 CaC Calcium monocarbide cac  
291 BC boron monocarbide bc  
292 BC- boron monocarbide anion bc-  
293 BC+ boron monocarbide cation bc+  
294 AlC Aluminum carbide alc  
295 BSi Boron silicide bsi  
296 C2 Carbon diatomic c2  
297 C2- carbon diatomic anion c2-  
298 C2+ carbon diatomic cation c2+  
299 SiC silicon monocarbide sic  
300 SiC- silicon monocarbide anion sic-  
301 SiC+ silicon monocarbide cation sic+  
302 Si2 Silicon diatomic si2  
303 Si2- silcon diatomic anion si2-  
304 Si2+ silcon diatomic cation si2+  
305 SiGe Silicon Germanium sige  
306 Ge2 Germanium diatomic ge2  
307 C2H Ethynyl radical c2h  
308 C2H- Ethynyl anion c2h-  
309 C2H+ Ethynyl cation c2h+  
310 ZnCH2 Zinc methylene znch2  
311 C2H2 Acetylene c2h2  
312 C2H2+ acetylene cation c2h2+  
313 CCH2 vinylidene vinylidene  
314 H2CC- vinylidene anion h2cc-  
315 HCCH- acetylene anion c2h2-  
316 Si2H2 disilyne si2h2  
317 CH3Li methyl lithium ch3li  
318 CuCH3 monomethyl copper cuch3  
319 ZnCH3 Zinc monomethyl znch3  
320 CH2BH methyleneborane ch2bh  
321 C2H3 vinyl c2h3  
322 C2H3- vinyl anion c2h3-  
323 C2H3+ vinyl cation c2h3+  
324 C2H4 Ethylene c2h4  
325 C2H4- Ethylene anion c2h4-  
326 C2H4+ Ethylene cation c2h4+  
327 CH3CH methylmethylene ch3ch  
328 CH2SiH2 silaethylene ch2sih2  
329 Si2H4 Disilene si2h4  
330 CH3BH2 methylborane ch3bh2  
331 C2H5 Ethyl radical c2h5  
332 C2H5- Ethyl anion c2h5-  
333 C2H5+ Ethyl cation c2h5+  
334 C2H6 Ethane c2h6  
335 C2H6+ ethane cation c2h6+  
336 CH3SiH3 methyl silane ch3sih3  
337 Si2H6 disilane si2h6  
338 GeH3CH3 methyl germane geh3ch3  
339 C2H7+ Ethane, protonated c2h7+  
340 LiN Lithium Nitride lin  
341 LiN+ Lithium Nitride cation lin+  
342 LiP Lithium monophosphide lip  
343 BeN Beryllium mononitride ben  
344 BeN- Beryllium mononitride anion ben-  
345 BeN+ Beryllium mononitride cation ben+  
346 MgN Magnesium Nitride mgn  
347 BN- boron nitride anion bn-  
348 AlN- aluminum mononitride anion aln-  
349 AlN+ aluminum mononitride cation aln+  
350 BP Boron monophosphide bp  
351 AlP Aluminum monophosphide alp  
352 GaN Gallium mononitride gan  
353 GaP Gallium monophosphide gap  
354 BN boron nitride bn  
355 BN+ boron nitride cation bn+  
356 AlN Aluminum nitride aln  
357 CN Cyano radical cn  
358 CN- cyanide anion cn-  
359 CN+ Cyano cation cn+  
360 CP Carbon monophosphide cp  
361 CP- carbon monophosphide anion cp-  
362 CP+ carbon monophosphide cation cp+  
363 SiN Silicon nitride sin  
364 SiN- silicon mononitride anion sin-  
365 SiN+ silicon mononitride cation sin+  
366 SiP Silicon monophosphide sip  
367 SiP- Silicon monophosphide anion sip-  
368 SiP+ Silicon monophosphide cation sip+  
369 TiN Titanium mononitride tin  
370 N2 Nitrogen diatomic n2  
371 N2- nitrogen diatomic anion n2-  
372 N2+ diatomic nitrogen cation n2+  
373 PN Phosphorus mononitride pn  
374 PN- phosphorus nitride anion pn-  
375 PN+ phosphorus nitride cation pn+  
376 P2 Phosphorus diatomic p2  
377 P2- phosphorus diatomic anion p2-  
378 P2+ phosphorus diatomic cation p2+  
379 AsN Arsenic mononitride asn  
380 AsP Arsenic monophosphide asp  
381 SbN Antimony nitride sbn  
382 As2 Arsenic diatomic as2  
383 HNB hydrogen nitrogen boron hnb  
384 HNC hydrogen isocyanide hnc  
385 HCN Hydrogen cyanide hcn  
386 HCN- Hydrogen cyanide anion hcn-  
387 HCN+ hydrogen cyanide cation hcn+  
388 HNC+ hydrogen isocyanide cation hnc+  
389 HCP Phosphaethyne hcp  
390 HCP+ Phosphaethyne cation hcp+  
391 NNH Dinitrogen monohydride nnh  
392 NNH+ Dinitrogen monohydride cation nnh+  
393 HPO Hydrogen phosphorus oxide hpo  
394 HPO+ Hydrogen phosphorus oxide cation hpo+  
395 LiNH2 lithium amide linh2  
396 HBNH Boranimine hbnh  
397 CNH2 Aminomethylidyne radical cnh2  
398 CNH2+ N-protonated hydrogen isocyanide cnh2+  
399 H2CN Dihydrogen cyanide radical h2cn  
400 H2CN+ hydrocyanonium cation h2cn+  
401 HCNH methyleneazane hcnh  
402 HCNH+ N-protonated HCN hcnh+  
403 H2NN Isodiazene h2nn  
404 N2H2 (E)-diazene n2h2  
405 N2H2 (Z)-Diazene n2h2z  
406 N2H2+ trans-diazene cation n2h2+  
407 CH2NH Methanimine ch3n  
408 CH2NH+ Methanimine cation ch2nh+  
409 CHNH2 aminomethylene chnh2  
410 CHNH2+ Aminocarbene cation chnh2+  
411 CH2PH Phosphaethene ch3p  
412 BH2NH2 Boranamine bh2nh2  
413 CH2NH2+ methyleneamine cation ch2nh2+  
414 N2H4 Hydrazine n2h4  
415 N2H4+ hydrazine cation n2h4+  
416 P2H4 Diphosphine p2h4  
417 CH3NH2 methyl amine ch3nh2  
418 CH3NH2+ methyl amine cation ch3nh2+  
419 CH3PH2 Methyl phosphine ch3ph2  
420 SiH3NH2 Silane, amino sih3nh2  
421 N2H5+ protonated hydrazine n2h5+  
422 BH3PH3 borane phosphine bh3ph3  
423 BH3NH3 borane ammonia bh3nh3  
424 CH3NH3 methyl ammonium radical ch3nh3  
425 CH3NH3+ protonated methylamine ch3nh3+  
426 CH3PH3+ methyl phosphine, protonated ch3ph3+  
427 NH3NH3 Ammonia Dimer nh3nh3  
428 N2H7+ ammonia ammonium dimer n2h7+  
429 LiO lithium oxide lio  
430 LiO- lithium oxide anion lio-  
431 LiO+ lithium oxide cation lio+  
432 LiS Lithium monosulfide lis  
433 LiS+ Lithium sulfide cation lis+  
434 NaO sodium monoxide nao  
435 NaO- sodium oxide anion nao-  
436 NaO+ sodium oxide cation nao+  
437 KO Potassium monoxide ko  
438 KO+ Potassium monoxide cation ko+  
439 NaS Sodium sulfide nas  
440 CuO Copper Monoxide cuo  
441 BeO beryllium oxide beo  
442 BeO- Beryllium monoxide anion beo-  
443 BeO+ Beryllium monoxide cation beo+  
444 BeS beryllium sulfide bes  
445 MgO magnesium oxide mgo  
446 MgO- magnesium oxide anion mgo-  
447 MgO+ magnesium oxide cation mgo+  
448 CaO Calcium monoxide cao  
449 MgS magnesium sulfide mgs  
450 MgS- magnesium sulfide anion mgs-  
451 MgS+ magnesium sulfide cation mgs+  
452 CaS Calcium sulfide cas  
453 ZnO zinc monoxide zno  
454 ZnS Zinc sulfide zns  
455 BeS- Beryllium monosulfide anion bes-  
456 BeS+ Beryllium monosulfide cation bes+  
457 BO boron monoxide bo  
458 BO- boron monoxide anion bo-  
459 AlO Aluminum monoxide alo  
460 AlO- Aluminum monoxide anion alo-  
461 AlO+ aluminum monoxide cation alo+  
462 BS boron sulfide bs  
463 BS- boron monosulfide anion bs-  
464 BS+ boron monosulfide cation bs+  
465 AlS Aluminum sulfide als  
466 AlS- aluminum monosulfide anion als-  
467 AlS+ aluminum monosulfide cation als+  
468 ScO Scandium monoxide sco  
469 GaS Gallium monosulfide gas  
470 BO+ boron monoxide cation bo+  
471 CO Carbon monoxide co  
472 CO- carbon monoxide anion co-  
473 CO+ carbon monoxide cation co+  
474 CS carbon monosulfide cs  
475 CS- carbon monosulfide anion cs-  
476 CS+ carbon monosulfide cation cs+  
477 SiO Silicon monoxide sio  
478 SiO- silicon monoxide anion sio-  
479 SiO+ silicon monoxide cation sio+  
480 SiS silicon monosulfide sis  
481 SiS- silicon monosulfide anion sis-  
482 SiS+ silicon monosulfide cation sis+  
483 TiO Titanium monoxide tio  
484 CSe- Carbon monoselenide anion cse-  
485 CSe+ Carbon monoselenide cation cse+  
486 GeO+ Germanium monoxide cation geo+  
487 GeS Germanium monosulfide ges  
488 SiSe Silicon Monoselenide sise  
489 SiSe+ Silicon Monoselenide cation sise+  
490 NO Nitric oxide no  
491 NO- nitric oxide anion no-  
492 NO+ nitric oxide cation no+  
493 NS Mononitrogen monosulfide ns  
494 NS- nitrogen sulfide anion ns-  
495 NS+ nitrogen sulfide cation ns+  
496 PO Phosphorus monoxide po  
497 PO- phosphorus monoxide anion po-  
498 PO+ phosphorus monoxide cation po+  
499 PS phosphorus sulfide ps  
500 PS- phosphorus monosulfide anion ps-  
501 PS+ phosphorus monosulfide cation ps+  
502 VO Vanadium monoxide vo  
503 AsO Arsenic monoxide aso  
504 NSe Nitrogen monoselenide nse  
505 AsS Arsenic monosulfide ass  
506 PSe Phosphorus monoselenide pse  
507 AsSe Arsenic monoselenide asse  
508 O2 Oxygen diatomic o2  
509 O2- oxygen diatomic anion o2-  
510 O2-- dioxygen dianion o2--  
511 O2+ diatomic oxygen cation o2+  
512 SO Sulfur monoxide so  
513 SO- sulfur monoxide anion so-  
514 SO+ sulfur monoxide cation so+  
515 S2 Sulfur diatomic s2  
516 S2- sulfur diatomic anion s2-  
517 S2+ sulfur diatomic cation s2+  
518 SeO- selenium monoxide anion seo-  
519 SeO+ selenium monoxide cation seo+  
520 SeS Selenium monosulfide ses  
521 SeS- selenium monosulfide anion ses-  
522 SeS+ selenium monosulfide cation ses+  
523 Se2- selenium diatomic anion se2-  
524 Se2+ selenium diatomic cation se2+  
525 LiOH lithium hydroxide lioh  
526 NaOH sodium hydroxide naoh  
527 KOH Potassium hydroxide koh  
528 BeOH beryllium monohydroxide beoh  
529 MgOH magnesium hydroxide mgoh  
530 CaOH Calcium monohydroxide caoh  
531 HBO Boron hydride oxide hbo  
532 HBS hydrogen boron sulfide hbs  
533 COH Hydroxymethylidyne coh  
534 COH+ Carbon Monoxide, protonated coh+  
535 HCO Formyl radical hco  
536 HCO- formyl anion hco-  
537 HCO+ Formyl cation hco+  
538 HCS Thioformyl radical hcs  
539 HCS- Thioformyl anion hcs-  
540 HCS+ Thioformyl cation hcs+  
541 HNO Nitrosyl hydride hno  
542 HNO- Nitrosyl hydride anion hno-  
543 HNO+ Nitrosyl hydride cation hno+  
544 NOH Hydroxyimidogen noh  
545 NOH+ O-protonated nitric oxide noh+  
546 HNS Sulfur imide hns  
547 HNS- Sulfur imide anion hns-  
548 HO2 Hydroperoxy radical ho2  
549 HO2- Hydroperoxy anion ho2-  
550 HO2+ Hydroperoxy cation ho2+  
551 HSO+ Sulfur Monoxide, S-protonated HSO+  
552 SOH Sulfur Hydroxide soh  
553 SOH+ Sulfur Monoxide, protonated soh+  
554 HS2 Thiosulfeno radical hs2  
555 H2CO Formaldehyde h2co  
556 H2CO- formaldehyde anion h2co-  
557 H2CO+ formaldehyde cation h2co+  
558 HOCH hydroxycarbene hoch  
559 H2CS Thioformaldehyde h2cs  
560 H2CS- thioformaldehyde anion h2cs-  
561 H2CS+ thioformaldehyde cation h2cs+  
562 H2NO nitroxide h2no  
563 H2O2 Hydrogen peroxide h2o2  
564 H2O2+ Hydrogen peroxide cation h2o2+  
565 H2OO water oxide h2oo  
566 HOSH hydrogen thioperoxide hosh  
567 H2S2 Disulfane h2s2  
568 H2S2+ hydrogen disulfide cation h2s2+  
569 CH2OH Hydroxymethyl radical ch2oh  
570 CH2OH+ hydroxymethyl cation ch2oh+  
571 CH3O Methoxy radical ch3o  
572 CH3O- methoxy anion ch3o-  
573 CH3O+ Methoxy cation ch3o+  
574 CH3S thiomethoxy ch3s  
575 H2CSH+ Thioformaldehyde, protonated h2csh+  
576 NH2OH hydroxylamine nh2oh  
577 NH2OH+ Hydroxylamine cation nh2oh+  
578 NH3O Ammonia Oxide nh3o  
579 H2POH Phosphinous acid h2poh  
580 H3PO Phosphine oxide h3po  
581 NH2SH Thiohydroxylamine nh2sh  
582 NH3S sulfidoazane nh3s  
583 H3O2+ hydrogen peroxide, protonated h3o2+  
584 CH3OH Methyl alcohol ch3oh  
585 CH3OH- Methyl alcohol anion ch3oh-  
586 CH3OH+ Methyl alcohol cation ch3oh+  
587 CH3SH Methanethiol ch3sh  
588 CH3SH+ Methanethiol cation ch3sh+  
589 SiH3OH silanol sih3oh  
590 CH3SeH Methane selenol ch3seh  
591 NH2OH2+ protonated hydroxylamine nh2oh2+  
592 NH3OH+ N-protonated hydroxylamine nh3oh+  
593 H2OH2O water dimer h2oh2o  
594 CH3OH2+ Methanol, protonated ch3oh2+  
595 CH3SH2+ protonated methylsulfide ch3sh2+  
596 H2ONH3 Water Ammonia Dimer h2onh3  
597 H5O2+ Dihydroxonium ion h5o2+  
598 LiF lithium fluoride lif  
599 LiCl lithium chloride licl  
600 LiCl- lithium chloride anion licl-  
601 LiCl+ lithium chloride cation licl+  
602 NaF sodium fluoride naf  
603 NaF- sodium fluoride anion naf-  
604 NaF+ sodium fluoride cation naf+  
605 KF Potassium Fluoride kf  
606 NaCl Sodium Chloride nacl  
607 NaCl- sodium chloride anion nacl-  
608 NaCl+ sodium chloride cation nacl+  
609 KCl Potassium Chloride kcl  
610 CuF Copper monofluoride cuf  
611 LiBr- lithium bromide anion libr-  
612 LiBr+ lithium bromide cation libr+  
613 CuCl Copper monochloride cucl  
614 NaBr Sodium Bromide nabr  
615 NaBr- sodium bromide anion nabr-  
616 NaBr+ sodium bromide cation nabr+  
617 KBr Potassium Bromide kbr  
618 KI Potassium Iodide ki  
619 LiF- lithium fluoride anion lif-  
620 LiF+ lithium fluoride cation lif+  
621 BeF Beryllium monofluoride bef  
622 BeF- Beryllium monofluoride anion bef-  
623 BeF+ Beryllium monofluoride cation bef+  
624 BeCl beryllium monochloride becl  
625 MgF Magnesium monofluoride mgf  
626 MgF- magnesium fluoride anion mgf-  
627 MgF+ magnesium fluoride cation mgf+  
628 CaF Calcium monofluoride caf  
629 MgCl magnesium monochloride mgcl  
630 MgCl- magnesium monochloride anion mgcl-  
631 MgCl+ magnesium monochloride cation mgcl+  
632 CaCl calcium monochloride cacl  
633 TiCl Titanium Monochloride ticl  
634 ZnF Zinc monofluoride znf  
635 ZnF- Zinc monofluoride anion znf-  
636 ZnF+ Zinc monofluoride cation znf+  
637 ZnCl Zinc monochloride zncl  
638 CaBr Calcium monobromide cabr  
639 BeCl- beryllium monochloride anion becl-  
640 BeCl+ beryllium monochloride cation becl+  
641 BF Boron monofluoride bf  
642 BF- Boron monofluoride anion bf-  
643 BF+ Boron monofluoride cation bf+  
644 AlF Aluminum monofluoride alf  
645 AlF- Aluminum monofluoride anion alf-  
646 AlF+ Aluminum monofluoride cation alf+  
647 BCl boron monochloride bcl  
648 BCl- boron monochloride anion bcl-  
649 BCl+ boron monochloride cation bcl+  
650 AlCl Aluminum monochloride alcl  
651 AlCl- aluminum monochloride anion alcl-  
652 AlCl+ aluminum monochloride cation alcl+  
653 ScF Scandium monofluoride scf  
654 BBr Boron monobromide bbr  
655 GaF+ Gallium monofluoride cation gaf+  
656 AlBr Aluminum monobromide albr  
657 GaCl+ Gallium monochloride cation gacl+  
658 CF Fluoromethylidyne cf  
659 CF- carbon monofluoride anion cf-  
660 CF+ carbon monofluoride cation cf+  
661 CCl carbon monochloride ccl  
662 CCl- carbon monochloride anion ccl-  
663 CCl+ carbon monochloride cation ccl+  
664 SiF silicon monofluoride sif  
665 SiF- silicon monofluoride anion sif-  
666 SiF+ silicon monofluoride cation sif+  
667 SiCl Clorosilylidyne sicl  
668 SiCl- silicon monochloride anion sicl-  
669 SiCl+ silicon monochloride cation sicl+  
670 GeF+ Germanium monofluoride cation gef+  
671 GeCl+ Germanium monochloride cation gecl+  
672 SiBr Silicon monobromide sibr  
673 SiBr+ Silicon monobromide cation sibr+  
674 NF nitrogen fluoride nf  
675 NF- nitrogen monofluorine anion nf-  
676 NF+ nitrogen monofluoirde cation nf+  
677 NCl nitrogen monochloride ncl  
678 NCl- nitrogen monochloride anion ncl-  
679 NCl+ nitrogen monochloride cation ncl+  
680 PF phosphorus monofluoride pf  
681 PF- phosphorus monofluoride anion pf-  
682 PF+ phosphorus monofluoride cation pf+  
683 PCl phosphorus chloride pcl  
684 PCl- phosphorus monochloride anion pcl-  
685 PCl+ phosphorus monochloride cation pcl+  
686 AsF Arsenic monofluoride asf  
687 NBr nitrogen monobromide nbr  
688 AsCl Arsenic monochloride ascl  
689 PBr Phosphorus monobromide pbr  
690 SbF Antimony monofluoride sbf  
691 SbCl Antimony monochloride sbcl  
692 FO Oxygen monofluoride fo  
693 FO- flourine oxide anion fo-  
694 FO+ fluorine monoxide cation fo+  
695 ClO Monochlorine monoxide clo  
696 ClO- chlorine monoxide anion clo-  
697 ClO+ chlorine monoxide cation clo+  
698 SF Monosulfur monofluoride sf  
699 SF- sulfur monofluoride anion sf-  
700 SF+ sulfur monofluoride cation sf+  
701 SCl sulfur monochloride scl  
702 SCl- sulfur monochloride anion scl-  
703 SCl+ sulfur monochloride cation scl+  
704 BrO- Bromine monoxide anion bro-  
705 SeF Selenium monofluoride sef  
706 SeCl Selenium monochloride secl  
707 F2 Fluorine diatomic f2  
708 F2- flourine diatomic anion f2-  
709 F2+ flourine diatomic cation f2+  
710 ClF Chlorine monofluoride clf  
711 ClF- clorine monofluoride anion clf-  
712 ClF+ clorine monofluoride cation clf+  
713 Cl2 Chlorine diatomic cl2  
714 Cl2- chlorine diatomic anion cl2-  
715 Cl2+ chlorine diatomic cation cl2+  
716 BrF- bromine fluoride anion brf-  
717 BrF+ bromine fluoride cation brf+  
718 BrCl- bromine chloride anion brcl-  
719 BrCl+ bromine chloride cation brcl+  
720 HCF Fluoromethylene hcf  
721 HCCl Chloromethylene hccl  
722 HSiF fluorosilylene hsif  
723 HSiCl Chlorosilylene hsicl  
724 CHBr bromomethylene chbr  
725 HOF Hypofluorous acid hfo  
726 DOCl Hypochlorous acid-d docl  
727 HOCl hypochlorous acid hocl  
728 HOCl+ hypochlorous acid cation hocl+  
729 HOBr Hypobromous acid hobr  
730 HOBr+ Hypobromous acid cation hobr+  
731 F2H+ Fluorine, protonated f2h+  
732 FHF Hydrogen difluoride fhf  
733 FHF- Hydrogen difluoride anion fhf-  
734 ClFH+ Chlorine fluoride, F-protonated clfh+  
735 FClH+ Chlorine fluoride, Cl-protonated fclh+  
736 Cl2H+ Chlorine, protonated cl2h+  
737 CH2F fluoromethyl radical ch2f  
738 CH2F+ fluoromethyl cation ch2f+  
739 CH2Cl+ chloromethyl cation ch2cl+  
740 CH2Cl chloromethyl radical ch2cl  
741 NH2F monofluoroamine nh2f  
742 NH2Cl chloramine nh2cl  
743 H2F2 Hydrogen fluoride dimer h2f2  
744 CH3F+ methyl fluoride cation ch3f+  
745 CD3F methylfluoride-d3 cd3f  
746 CH3F Methyl fluoride ch3f  
747 CD3Cl methyl chloride d3 cd3cl  
748 CH3Cl Methyl chloride ch3cl  
749 CH3Cl+ Methyl chloride cation ch3cl+  
750 SiH3F monofluorosilane sih3f  
751 SiH3Cl chlorosilane sih3cl  
752 GeH3F monofluorogermane geh3f  
753 SiH3Br bromosilane sih3br  
754 NH3Cl+ protonated monochloroammonia nh3cl+  
755 CH3ClH+ methyl chloride, protonated ch3clh+  
756 NH4Cl Ammonium chloride nh4cl  
757 LiNe+ Lithium Neon cation line+  
758 Ne2 Neon diatomic ne2  
759 Ne2+ Neon diatomic cation ne2+  
760 Ar2 Argon diatomic ar2  
761 Ar2+ Argon diatomic cation ar2+  
762 Li3 Lithium trimer li3  
763 Li3+ Lithium trimer cation li3+  
764 C3 carbon trimer c3  
765 C3+ carbon trimer cation c3+  
766 SiC2 Silicon dicarbide sic2  
767 C3H3 cyclopropenyl radical cpr  
768 C3H3 Propargyl radical propargyl  
769 C3H3- Propargyl anion c3h3-  
770 C3H3+ cyclopropenyl cation cpr+  
771 C3H3+ Propargyl cation c3h3+  
772 C3H4 cyclopropene cprop  
773 CH2CCH2 allene allene  
774 CH3CCH propyne propyne  
775 C3H5 Allyl radical allyl  
776 C3H5+ Allyl cation allyl+  
777 CH3CHCH 1-propenyl radical ch3chch  
778 Zn(CH3)2 dimethyl zinc dmz  
779 C3H6 Cyclopropane c3h6  
780 CH2CHCH3 Propene propene  
781 C3H7 n-Propyl radical npropyl  
782 C3H7+ cyclopropane, protonated c3h7+  
783 CH3CHCH3 Isopropyl radical isopropyl  
784 CH3CHCH3+ Isopropyl cation prop2yl+  
785 C3H8 Propane propane  
786 SiH2(CH3)2 dimethylsilane dms  
787 Si3H8 trisilane si3h8  
788 LiCN lithium cyanide licn  
789 NaCN Sodium Cyanide nacn  
790 KCN Potassium cyanide kcn  
791 CuCN Copper cyanide cucn  
792 ZnCN Zinc monocyanide zncn  
793 ZnNC Zinc isocyanide znnc  
794 AlCN Aluminum monocyanide alcn  
795 AlNC Aluminum isocyanide alnc  
796 CN2 3H-Diazirin-3-ylidene cn2  
797 CNN Diazocarbene cnn  
798 NCN Cyanoimidogen ncn  
799 N3 azide radical n3  
800 N3- azide anion n3-  
801 N3+ azide cation n3+  
802 HCCN cyanomethylene hccn  
803 HCNN diazomethyl radical hcnn  
804 HN3 hydrogen azide hn3  
805 HN3+ Hydrazoic acid cation hn3+  
806 HNCNH diiminomethane hncnh  
807 CH2N2 diazirine ch2n2  
808 CH2NN diazomethane ch2nn  
809 NH2CN cyanamide cyanamide  
810 HNNNH+ 1,2-Triazadienium n2h3+  
811 NH2NN+ hydrazoic acid, protonated nh2nn+  
812 CH3CN Acetonitrile ch3cn  
813 CH3CN- acetonitrile anion ch3cn-  
814 CH3CN+ Acetonitrile cation ch3cn+  
815 CH3NC methyl isocyanide ch3nc  
816 CHNCH2 2H-Azirine c157164  
817 CHNHCH 1H-Azirine chnhch  
818 H2CCNH Ethenimine ch2cnh  
819 H2CNCH methyleneaminomethylene ch2nch  
820 HCCNH2 Ethynamine hccnh2  
821 HCNCH2+ 2H-Azirine cation hcnch2+  
822 HNCNH2+ diiminomethane, protonated hncnh2+  
823 NCNH3+ Cyanamide, protonated ncnh3+  
824 NH2CNH+ cyanamide, cn protonated nh2cnh+  
825 NH3CN+ cyanamide, amine protonated nh3cn+  
826 CH2CHNH vinylazine ch2chnh  
827 CH3CHN methylmethaniminyl radical ch3chn  
828 NHCHNH2 aminomethanimine cn2h4  
829 C2H5N Aziridine c2h5n  
830 CH2CHNH2 aminoethene aminoethene  
831 CH2NCH3 N-methylmethanimine nmm  
832 CH3CHNH ethanimine ethanimine  
833 NH2BHNH2 diaminoborane nh2bhnh2  
834 C2H5NH+ Protonated Aziridine c2h5nh+  
835 C2H6N+ aziridine, protonated c2h6n+  
836 NH2CH2NH2 diaminomethane nh2ch2nh2  
837 CH3CH2NH2 Ethylamine etam  
838 CH3NHCH3 Dimethylamine ch3nhch3  
839 CH3PHCH3 dimethylphosphine ch3phch3  
840 NH2CH2NH3+ diaminoethane, protonated pdam  
841 (CH3)2NH2+ dimethylammonium cation dmam  
842 CH3CH2NH3+ ethylamine, protonated pea  
843 Li2O dilithium oxide li2o  
844 Li2O+ dilithium oxide cation li2o+  
845 Li2S dilithium sulfide li2s  
846 Na2O disodium monoxide na2o  
847 Na2S Sodium sulfide na2s  
848 LiO2 Lithium dioxide lio2  
849 NaO2 Sodium superoxide nao2  
850 CCO Dicarbon monoxide cco  
851 CNO- fulminate cno-  
852 NCO isocyanato radical nco  
853 NCO- cyanate nco-  
854 SCN thiocyanato radical scn  
855 SCN- thiocyanide anion scn-  
856 BO2 Boron dioxide bo2  
857 BO2- Boron dioxide anion bo2-  
858 BO2+ Boron dioxide cation bo2+  
859 N2O Nitrous oxide n2o  
860 N2O- Nitrous oxide anion n2o-  
861 N2O+ Nitrous oxide cation n2o+  
862 NNS Nitrogen sulfide nns  
863 PPO Phosphorus oxide phosphide ppo  
864 CO2 Carbon dioxide co2  
865 CO2- Carbon dioxide anion co2-  
866 CO2+ Carbon dioxide cation co2+  
867 OCS Carbonyl sulfide cos  
868 OCS+ Carbonyl sulfide cation cos+  
869 SiO2 silicon dioxide sio2  
870 CS2 Carbon disulfide cs2  
871 CS2- Carbon disulfide anion cs2-  
872 CS2+ Carbon disulfide cation cs2+  
873 TiO2 Titanium dioxide tio2  
874 SiS2 Silicon disulfide sis2  
875 OCSe Carbonyl selenide ocse  
876 SCSe Carbon sulfide selenide scse  
877 GeS2 Germanium disulfide ges2  
878 CSe2 Carbon diselenide cse2  
879 NO2 Nitrogen dioxide no2  
880 NO2- Nitrogen dioxide anion no2-  
881 NO2+ Nitrogen dioxide cation no2+  
882 NSO sulfinyl amidogen NSO  
883 PO2 Phosphorus dioxide po2  
884 PO2- Phosphorus dioxide anion po2-  
885 PO2+ Phosphorus dioxide cation po2+  
886 SNO Nitrogen oxide sulfide sno  
887 AsO2 Aresenic dioxide aso2  
888 O3 Ozone o3  
889 O3- Ozone anion o3-  
890 O3+ Ozone cation o3+  
891 SO2 Sulfur dioxide so2  
892 SO2- Sulfur dioxide anion so2-  
893 SO2+ Sulfur dioxide cation so2+  
894 SSO Disulfur monoxide sso  
895 S3 Sulfur trimer s3  
896 S3- Sulfur trimer anion s3-  
897 S3+ Sulfur trimer cation s3+  
898 SeO2+ Selenium dioxide cation seo2+  
899 HCCO ketenyl radical ketenyl  
900 CS2H+ Carbon disulfide, protonated cs2h+  
901 HCNO fulminic acid hcno  
902 HNCO Isocyanic acid hnco  
903 HOCN cyanic acid hocn  
904 HNCS Isothiocyanic acid hncs  
905 HSCN thiocyanic acid hscn  
906 HCO2- formate anion hco2-  
907 HNNO nitrosoazane hnno  
908 HNNO+ Nitrous oxide, N-protonated hnno+  
909 NNOH+ Nitrous Oxide, O-protonated nnoh+  
910 HCOO formate neutral radical hcoo  
911 HOCO Hydrocarboxyl radical hoco  
912 HOCO+ Hydrocarboxyl cation hoco+  
913 HNO2 Nitrous acid hno2  
914 HNO2+ nitrous acid cation hno2+  
915 O3H+ protonated ozone o3h+  
916 SO2H+ protonated sulfur dioxide so2h+  
917 C2H2O Oxirene oxirene  
918 CH2CO Ketene ch2co  
919 CH2CO+ Ketene cation ch2co+  
920 HCCOH ethynol hccoh  
921 CH2CS Thioketene ch2cs  
922 Be(OH)2 Beryllium hydroxide beo2h2  
923 Mg(OH)2 Magnesium dihydroxide h2mgo2  
924 NH2NO Nitrosamide nh2no  
925 CH2O2 Dioxirane diox  
926 H2COO Dioxymethyl radical h2coo  
927 H2COO+ dioxymethyl cation h2coo+  
928 HCOOH Formic acid ch2o2  
929 H2O3 Hydrogen trioxide h2o3  
930 HSSSH trisulfane hsssh  
931 NaOCH3 Sodium methoxide naoch3  
932 CH2BOH hydroxy(methylene)borane ch2boh  
933 BH3CO Borane carbonyl bh3co  
934 CH3BO Borane, methyloxo- ch3bo  
935 CH2CHO Vinyloxy radical ch2cho  
936 CH2COH+ ketene, protonated ch2coh+  
937 CH3CO Acetyl radical ch3co  
938 CH3CO- Acetyl anion ch3co-  
939 CH3CO+ acetyl cation ch3co+  
940 CH2NOH formaldoxime ch2noh  
941 CH3NO nitrosomethane ch3no  
942 CHONH2 formamide formamide  
943 CNOH3 1,2-oxaziridine cnoh3  
944 HOCHNH hydroxymethylimine hochnh  
945 CHSNH2 thioformamide chsnh2  
946 NHCHSH Methanimidothioic acid nhchsh  
947 CH2OOH CH2OOH radical ch2ooh  
948 CH3OO methylperoxy radical ch3oo  
949 CH3OO- methylperoxy anion ch3oo-  
950 CH3OO+ methylperoxy cation ch3oo+  
951 C2H4O Ethylene oxide c2h4o  
952 C2H4O+ ethylene oxide cation c2h4o+  
953 CH2CHOH ethenol ch2choh  
954 CH3CHO Acetaldehyde ch3cho  
955 CH3CHO+ acetaldehyde cation ch3cho+  
956 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
957 C2H4S Thiirane thiirane  
958 CH2CHSH Ethenethiol ch2chsh  
959 CH3CHS Thioacetaldehyde ch3chs  
960 H2CONH2+ protonated formamide h2conh2+  
961 NH2CHOH+ Formamide, O-protonated nh2choh+  
962 NH3CHO+ Formamide, N-Protonated nh3cho+  
963 CH2(OH)2 methanediol ch2o2h2  
964 CH3OOH Methyl peroxide ch3ooh  
965 CH3SSH Hydrogen methyl disulfide ch3ssh  
966 HSCH2SH Methanedithiol ch4s2  
967 H2OH2CO water formaldehyde dimer h2oh2co  
968 C2H4OH+ ethylene oxide, protonated c2h4oh+  
969 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
970 CH3CH2O Ethoxy radical ethoxy  
971 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
972 CH3CHOH+ acetaldehyde, protonated ch3choh+  
973 CH3OCH2 methoxymethyl radical ch3och2  
974 NH2CH2OH aminomethanol nh2ch2oh  
975 CH3CH2OH Ethanol etoh  
976 CH3OCH3 Dimethyl ether meome  
977 CH3CH2SH ethanethiol etsh  
978 CH3SCH3 Dimethyl sulfide mesme  
979 CH3SCH3+ dimethyl sulfide cation mesme+  
980 CH3SeCH3 dimethylselenide dmse  
981 CH3OHH2O methanol water dimer ch3ohh2o  
982 H2OCH3OH water methanol dimer h2och3oh  
983 CuF2 Copper difluoride cuf2  
984 ZnF2 Zinc difluoride znf2  
985 CNF iso cyanogen fluoride cnf  
986 FCN Cyanogen fluoride fcn  
987 ClCN chlorocyanogen clcn  
988 FBO Boron monofluoride monoxide fbo  
989 BeF2 Beryllium fluoride bef2  
990 MgF2 Magnesium fluoride mgf2  
991 BeCl2 Beryllium chloride becl2  
992 MgCl2 Magnesium dichloride mgcl2  
993 CaCl2 Calcium Chloride cacl2  
994 ZnCl2 Zinc dichloride zncl2  
995 CaF2 Calcium difluoride caf2  
996 FCO Carbonyl fluoride fco  
997 FCO+ Carbonyl fluoride cation fco+  
998 ClCO carbonyl monochloride clco  
999 BF2 Boron difluoride radical bf2  
1000 FNO Nitrosyl fluoride fno  
1001 ClNO Nitrosyl chloride clno  
1002 FNS Thionitrosyl fluoride fns  
1003 FSN Thiazyl fluoride fsn  
1004 OPCl Phosphorus oxychloride opcl  
1005 BrNO Nitrosyl bromide brno  
1006 INO Nitrosyl iodide ino  
1007 CF2 Difluoromethylene cf2  
1008 CF2- Difluoromethylene anion cf2-  
1009 CF2+ Difluoromethylene cation cf2+  
1010 CFCl chlorofluoromethylene cfcl  
1011 SiF2 Silicon difluoride sif2  
1012 SiF2+ Silicon difluoride cation sif2+  
1013 CCl2 dichloromethylene ccl2  
1014 CCl2- dichloromethylene anion ccl2-  
1015 CCl2+ dichloromethylene cation ccl2+  
1016 SiCl2 Dichlorosilylene sicl2  
1017 GeF2 Germanium difluoride gef2  
1018 CBr2 dibromomethylene cbr2  
1019 FOO Dioxygen monofluoride radical foo  
1020 FOO+ Fluorine dioxide cation foo+  
1021 ClOO chloroperoxy radical cloo  
1022 ClOO+ chloroperoxy cation cloo+  
1023 OClO Chlorine dioxide oclo  
1024 OClO- Chlorine dioxide anion oclo-  
1025 OClO+ Chlorine dioxide cation oclo+  
1026 ClSO Sulfur chloride oxide clso  
1027 ClS2 Sulfur chloride cls2  
1028 OBrO Bromine dioxide radical obro  
1029 NF2 Difluoroamino radical nf2  
1030 NF2+ Difluoroamino cation nf2+  
1031 PF2 Phosphorus difluoride pf2  
1032 PF2+ Phosphorus difluoride cation pf2+  
1033 FClO chlorosyl fluoride fclo  
1034 F2O Difluorine monoxide f2o  
1035 ClOF Chlorine hypofluorite clof  
1036 SF2 sulfur difluoride sf2  
1037 SF2- sulfur difluoride anion sf2-  
1038 SF2+ sulfur difluoride cation sf2+  
1039 Cl2O Dichlorine monoxide cl2o  
1040 SCl2 Sulfur dichloride scl2  
1041 BrOCl Bromine hypochlorite brocl  
1042 SeCl2 Selenium Dichloride secl2  
1043 BrOBr Bromine oxide brobr  
1044 F3- trifluoride anion f3-  
1045 Cl3- trichloride anion cl3-  
1046 SFCl Sulfur chloride fluoride sfcl  
1047 HCCF Fluoroacetylene hccf  
1048 HCCF+ fluoroacetylene cation hccf+  
1049 HCCCl Chloroacetylene hcccl  
1050 HCCBr bromoacetylene hccbr  
1051 HFCO formyl fluoride hfco  
1052 HFCO+ formyl fluoride cation hfco+  
1053 COHCl Formyl chloride cohcl  
1054 COHBr Formyl bromide cohbr  
1055 BHF2 Difluoroborane bhf2  
1056 BHCl2 Borane, dichloro- bhcl2  
1057 CHCl2 dichloromethyl radical chcl2  
1058 CHF2 difluoromethyl radical chf2  
1059 CHF2+ difluoromethyl cation chf2+  
1060 CHFCl Chlorofluoromethyl radical chfcl  
1061 CHFCl+ Chlorofluoromethyl cation chfcl+  
1062 CHCl2+ dichloromethyl cation chcl2+  
1063 HOClO Chlorous acid hoclo  
1064 NHF2 difluoramine nhf2  
1065 NHCl2 dichloroamine nhcl2  
1066 CH2F2 Methane, difluoro- ch2f2  
1067 CH2FCl fluorochloromethane ch2fcl  
1068 SiH2F2 difluorosilane sih2f2  
1069 CH2Cl2 Methylene chloride ch2cl2  
1070 CH2BrF Methane, bromofluoro- ch2fbr  
1071 SiH2Cl2 dichlorosilane sih2cl2  
1072 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1073 CH2CHF Ethene, fluoro- ch2chf  
1074 CH2CHF+ fluoroethene cation ch2chf+  
1075 C2H3Cl Ethene, chloro- ch2chcl  
1076 C2H3Br vinyl bromide c2h3br  
1077 CH2FOH fluoromethanol ch2foh  
1078 CH3OCl methyl hypochlorite ch3ocl  
1079 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1080 CHClCH3 1-chloroethyl radical chclch3  
1081 C2H5F fluoroethane c2h5f  
1082 CH3CH2Cl Ethyl chloride c2h5cl  
1083 CH3SiFH2 fluoromethylsilane ch3sifh2  
1084 KrF2 Krypton difluoride krf2  
1085 B4H10 Tetraborane(10) b4h10  
1086 C4 Carbon tetramer c4  
1087 C4+ Carbon tetramer cation c4+  
1088 C4H2 Diacetylene c4h2  
1089 C4H2+ diacetlyene cation c4h2+  
1090 C2H3CCH 1-Buten-3-yne c2h3cch  
1091 C4H4 cyclobutadiene cbd  
1092 C4H4 Tetrahedrane c4h4  
1093 H2CCCCH2 Butatriene h2cccch2  
1094 C4H6 1-Methylcyclopropene c3100047  
1095 C4H6 Cyclobutene c822355  
1096 C4H6 Methylenecyclopropane c6142730  
1097 CH2CCHCH3 1,2-Butadiene butad12  
1098 CH2CHCHCH2 1,3-Butadiene c106990  
1099 CH3CCCH3 2-Butyne c503173  
1100 CHCCH2CH3 1-Butyne c107006  
1101 CH3CHCHCH2 methylallyl radical c4h7  
1102 C4H8 methylcyclopropane mcp  
1103 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1104 CH2CHCH2CH3 1-Butene bute1  
1105 CH3CHCHCH3 2-Butene, (E)- bute2e  
1106 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1107 B(CH3)3 trimethylborane bme3  
1108 Al(CH3)3 trimethyl aluminum tma  
1109 C(CH3)3 Tert-butyl radical tbutyl  
1110 CH2CH(CH3)2 Isobutyl radical isobutyl  
1111 CH3CHCH2CH3 2-Butyl radical butyl2  
1112 CH3CH(CH3)CH3 Isobutane isobutane  
1113 CH3CH2CH2CH3 Butane butane  
1114 SiH(CH3)3 trimethylsilane trimsi  
1115 Li3N trilithium nitride li3n  
1116 C2N2 Cyanogen c2n2  
1117 C2N2+ Cyanogen cation c2n2+  
1118 P4 Phosphorus tetramer p4  
1119 HCCCN Cyanoacetylene hcccn  
1120 HCCCN+ Cyanoacetylene cation hcccn+  
1121 H2CNCN cyanamide, methylene ch2ncn  
1122 HNCCNH Ethenediimine hnccnh  
1123 C3H3N acrylonitrile ch2chcn  
1124 C3H3N+ acrylonitrile cation ch2chcn+  
1125 CH3N3 methyl azide ch3n3  
1126 NH2CCNH2 Diaminoacetylene daa  
1127 NH2CH2CN Aminoacetonitrile aan  
1128 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1129 C2H5CN ethyl cyanide c2h5cn  
1130 CH5N3 Guanidine guanidine  
1131 C4H6 Bicyclo[1.1.0]butane c157335  
1132 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1133 H2NCHCHNH2 diaminoethylene dae  
1134 CH6N3+ guanidinium ch6n3+  
1135 C3H7N Cyclopropylamine cpram  
1136 CH7N3 triaminomethane tam  
1137 C3H7N Azetidine azet  
1138 C4H8 cyclobutane cbutane  
1139 C2H8N2 Ethylenediamine ethdiam  
1140 CH3NHNHCH3 dimethyl hydrazine dmh  
1141 CH3CH(NH2)CH3 2-Propanamine pram2  
1142 N(CH3)3 Trimethylamine trimeam  
1143 NH2CH2CH2CH3 1-Propanamine pram1  
1144 P(CH3)3 trimethylphosphine tmp  
1145 N(SiH3)3 trisilylamine tsa  
1146 As(CH3)3 trimethyl arsine tmas  
1147 (CH3)3NH+ protonated trimethyl amine ptma  
1148 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1149 Li2O2 dilithium dioxide li2o2  
1150 Na2O2 disodium dioxide na2o2  
1151 K2O2 dipotassium dioxide k2o2  
1152 C3O Tricarbon monoxide c3o  
1153 B2O2 Diboron dioxide b2o2  
1154 ONNO NO dimer onno  
1155 S2N2 Disulfur dinitride s2n2  
1156 CO3 Carbon trioxide co3  
1157 CO3-- carbonate co3--  
1158 CS3-- Carbonotrithioate cs3--  
1159 NO3 Nitrogen trioxide no3  
1160 NO3- nitrate anion no3-  
1161 NO3+ nitrogen trioxide cation no3+  
1162 SO3 Sulfur trioxide so3  
1163 SO3- Sulfur trioxide anion so3-  
1164 SO3-- Sulfate dianion so3--  
1165 SO3+ Sulfur trioxide cation so3+  
1166 SeO3 selenium trioxide seo3  
1167 S4 Sulfur tetramer s4  
1168 HCO3- bicarbonate anion hco3-  
1169 HNO3 Nitric acid hno3  
1170 HSO3 Hydroxysulfonyl radical hso3  
1171 NH2NO2 nitramide nh2no2  
1172 C2H2CO cyclopropenone c2h2co  
1173 C3H2O Propadienal c3h2o  
1174 HCCCHO 2-propynal hcccho  
1175 C2H2O2 Ethanedial c2h2o2  
1176 C2H2O2+ Ethanedial cation c2h2o2+  
1177 H2CO3 Carbonic acid h2co3  
1178 H2CS3 thiocarbonic acid h2cs3  
1179 H2NO3+ Nitric Acid, Protonated h2no3+  
1180 H2SO3 Sulfurous acid h2so3  
1181 C2H3NO Nitrosoethylene c2h3no  
1182 CH3NCO methylisocyante ch3nco  
1183 HOCH2CN cyanomethanol hoch2cn  
1184 CH3COO- acetate anion ch3coo-  
1185 CH3NO2 Methane, nitro- ch3no2  
1186 CH3ONO Methyl nitrite ch3ono  
1187 NH2COOH Carbamic acid nh2cooh  
1188 H3BO3 Boric acid h3bo3  
1189 H3AlO3 Aluminum hydroxide h3alo3  
1190 H3CO3+ carbonic acid, protonated h3co3+  
1191 C3H4O 2-Propyn-1-ol c107197  
1192 C3H4O allenol c9000071  
1193 C3H4O Cyclopropanone cpone  
1194 C3H4O Methylketene c6004440  
1195 CH2CHCHO Acrolein c3h4o  
1196 NH2CONH2 Urea urea  
1197 NH2CONH2+ Urea cation urea+  
1198 NH2CSNH2 Thiourea thiourea  
1199 C2H4O2 1,3-dioxetane c2h4o2  
1200 CH3COOH Acetic acid ch3cooh  
1201 CH3OCHO methyl formate ch3ocho  
1202 CHOCH2OH hydroxy acetaldehyde haa  
1203 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1204 NH3COOH+ protonated Carbamic acid nh3cooh+  
1205 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1206 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1207 HCOOHH2O Formic acid water dimer hcoohh2o  
1208 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1209 CH3COCH2 Acetonyl radical ch3coch2  
1210 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1211 CH3C(OH)=NH Ethaninidic acid eia  
1212 CH3CHNOH Acetaldoxime acetaldoxime  
1213 CH3CONH2 Acetamide acetamide  
1214 HCONHCH3 N-methylformamide nmfa  
1215 CH3CSNH2 Ethanethioamide ch3csnh2  
1216 CH5N2O+ urea, N-protonated ch4n2o+  
1217 H2NCOHNH2+ urea, protonated ureah+  
1218 C2H5OO ethylperoxy radical c2h5oo  
1219 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1220 C3H5OH Cyclopropanol cproh  
1221 C3H6O 2-Propen-1-ol c107186  
1222 C3H6O Acetone enol enol  
1223 C3H6O Oxetane oxetane  
1224 C3H6O Propylene oxide prox  
1225 CH3CH2CHO Propanal propanal  
1226 CH3COCH3 Acetone acetone  
1227 CH3COCH3- acetone anion ch3coch3-  
1228 C3H6S Thietane thietane  
1229 C3H6S Thiirane, methyl- methiirane  
1230 CH3CSCH3 Thioacetone ch3csch3  
1231 C2H6O2 1,2-Ethanediol ethdiol  
1232 CH3OOCH3 dimethylperoxide dmp  
1233 CH3SOCH3 Dimethyl sulfoxide dmso  
1234 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1235 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1236 CH3COHCH3+ acetone, protonated acetoneh+  
1237 HOCH2CH2NH2 monoethanolamine mea  
1238 C3H7OH 1-Propanol proh  
1239 CH3CHOHCH3 Isopropyl alcohol isoproh  
1240 CH3OC2H5 Ethane, methoxy- etome  
1241 C3H7SH 1-Propanethiol prsh  
1242 CH3CHSHCH3 2-Propanethiol isoprsh  
1243 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1244 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1245 Li2F2 Lithium fluoride dimer li2f2  
1246 Na2F2 Sodium Fluoride Dimer na2f2  
1247 Na2Cl2 Disodium dichloride na2cl2  
1248 C2F2 difluoroacetylene c2f2  
1249 C2Cl2 dichloroacetylene c2cl2  
1250 C2Cl2+ dichloroacetylene cation c2cl2+  
1251 FNO2 Nitryl fluoride fno2  
1252 FONO Nitrosyl hypofluorite fono  
1253 ClNO2 Nitryl chloride clno2  
1254 ClONO chlorine nitrite clono  
1255 BrONO Bromine nitrite brono  
1256 N2F2 (Z)-Difluorodiazene n2f2_z  
1257 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1258 CF2O Carbonic difluoride f2co  
1259 CF2O+ Carbonic difluoride cation f2co+  
1260 COFCl Carbonic chloride fluoride cofcl  
1261 CCl2O Phosgene cl2co  
1262 Cl2CS Thiophosgene cl2cs  
1263 COBr2 Carbonic dibromide cobr2  
1264 BF3 Borane, trifluoro- bf3  
1265 BF3- Borane, trifluoro- anion bf3-  
1266 BF3+ boron trifluoride cation bf3+  
1267 AlF3 Aluminum trifluoride alf3  
1268 BClF2 Chlorodifluoroborane bclf2  
1269 AlF2Cl Aluminum chloride difluoride alclf2  
1270 ScF3 Scandium trifluoride ScF3  
1271 AlFCl2 Aluminum dichloride fluoride alcl2f  
1272 BCl3 Borane, trichloro- bcl3  
1273 BCl3+ Boron Trichloride cation bcl3+  
1274 AlCl3 Aluminum trichloride alcl3  
1275 BBr3 Boron tribromide bbr3  
1276 AlBr3 Aluminum Bromide albr3  
1277 ClO3 Chlorine trioxide clo3  
1278 ClO3- chlorate anion clo3-  
1279 BrO3- Bromate anion bro3-  
1280 CF3 Trifluoromethyl radical cf3  
1281 CF3- Trifluoromethyl anion cf3-  
1282 CF3+ Trifluoromethyl cation cf3+  
1283 CF2Cl difluorochloromethyl radical cf2cl  
1284 SiF3 Silicon trifluoride radical sif3  
1285 SiF3+ Silicon trifluoride cation sif3+  
1286 CFCl2 dichlorofluoromethyl radical cfcl2  
1287 CCl3 Trichloromethyl radical ccl3  
1288 CCl3- Trichloromethyl anion ccl3-  
1289 CCl3+ Trichloromethyl cation ccl3+  
1290 SiCl3 trichlorosilyl radical sicl3  
1291 SiCl3+ trichlorosilyl cation sicl3+  
1292 FOOF Perfluoroperoxide foof  
1293 ClO2F Chloryl fluoride clo2f  
1294 F2SO Thionyl Fluoride f2so  
1295 ClOOCl Dichlorine dioxide cloocl  
1296 FSSF Difluorodisulfane fssf  
1297 S2F2 Thio-thionyl fluoride s2f2  
1298 SOCl2 thionyl chloride socl2  
1299 SSCl2 Thiothionyl chloride sscl2  
1300 SeOCl2 selenium oxychloride seocl2  
1301 NF3 Nitrogen trifluoride nf3  
1302 NF3- Nitrogen trifluoride anion nf3-  
1303 NF3+ Nitrogen trifluoride cation nf3+  
1304 PF3 Phosphorus trifluoride pf3  
1305 NCl3 nitrogen trichloride ncl3  
1306 AsF3 Arsenic trifluoride asf3  
1307 PCl3 Phosphorus trichloride pcl3  
1308 AsCl3 Arsenous trichloride ascl3  
1309 PBr3 Phosphorus tribromide pbr3  
1310 AsBr3 Arsenic tribromide asbr3  
1311 ClSSCl Disulfur dichloride s2cl2  
1312 SF3 Sulfur trifluoride sf3  
1313 ClF3 Chlorine trifluoride clf3  
1314 BrF3 Bromine trifluoride brf3  
1315 HClO3 Chloric Acid hclo3  
1316 CHF3 Methane, trifluoro- chf3  
1317 CHF2Cl difluorochloromethane chf2cl  
1318 SiHF3 trifluorosilane sihf3  
1319 CHFCl2 fluorodichloromethane chfcl2  
1320 CDCl3 trichloromethane-d cdcl3  
1321 CHCl3 Chloroform chcl3  
1322 SiHCl3 Trichlorosilane sihcl3  
1323 CHFClBr fluorochlorobromomethane chfclbr  
1324 CHBr2F dibromofluoromethane chbr2f  
1325 CHCl2I dichloroiodomethane chcl2i  
1326 CHClBr2 Methane, dibromochloro- chclbr2  
1327 CHBr3 bromoform chbr3  
1328 CHI3 Iodoform chi3  
1329 NF3H+ protonated nitrogen trifluoride nf3h+  
1330 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1331 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1332 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1333 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1334 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1335 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1336 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1337 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1338 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1339 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1340 C2H2Br2 1,1-dibromoethene c2h2br2  
1341 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1342 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1343 CH2FCHO Fluoroacetaldehyde ch2fcho  
1344 CH3COF Acetyl fluoride ch3cof  
1345 CH2ClCHO chloroacetaldehyde ch2clcho  
1346 CH3COCl Acetyl Chloride ch3cocl  
1347 C2H4F2 1,2-difluoroethane c2h4f2  
1348 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1349 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1350 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1351 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1352 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1353 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1354 CH2CFCH3 2-fluoropropene 2fpro  
1355 CH2CHCH2F Allyl Fluoride allylf  
1356 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1357 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1358 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1359 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1360 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1361 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1362 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1363 CH2FCH2CH3 1-Fluoropropane prf1  
1364 CH3CHFCH3 2-Fluoropropane prf2  
1365 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1366 CH3CHClCH3 Propane, 2-chloro- prcl2  
1367 CH3CH2CH2Br n-propyl bromide prbr  
1368 CH3CHBrCH3 i-propyl bromide iprbr  
1369 C3H9O+ trimethyl oxonium cation c3h9o+  
1370 B5H9 pentaborane9 b5h9  
1371 C5H4 pentatetraene ptrene  
1372 C5H5 cyclopentadienyl radical c5h5  
1373 C5H5- cylopentadienyl anion c5h5-  
1374 C5H6 1,3-Cyclopentadiene c542927  
1375 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1376 C5H6 3-Penten-1-yne, (E)- c2004695  
1377 C5H6 3-Penten-1-yne, (Z)- c1574409  
1378 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1379 C5H6 Cyclopropylacetylene c6746947  
1380 C5H6 Propellane propellane  
1381 C5H7 1,3-pentadienyl radical pdyl  
1382 C5H7 cyclopentenyl radical cpyl  
1383 C5H8 1,2-Butadiene, 3-methyl- c598254  
1384 C5H8 1,2-Pentadiene c591957  
1385 C5H8 1,3-Butadiene, 2-methyl- c78795  
1386 C5H8 1,3-Pentadiene, (E)- c2004708  
1387 C5H8 1,3-Pentadiene, (Z)- c1574410  
1388 C5H8 1,4-Pentadiene c591935  
1389 C5H8 1-pentyne a1pentyne  
1390 C5H8 2,3-Pentadiene c591968  
1391 C5H8 Bicyclo[1.1.1]pentane bcp  
1392 C5H8 Cyclobutane, methylene- c1120565  
1393 C5H8 Cyclopentene c142290  
1394 C5H8 Ethenylcyclopropane c693867  
1395 CH3CCCH2CH3 2-Pentyne 2pentyne  
1396 C5H10 1-Butene, 2-methyl- c563462  
1397 C5H10 2-Butene, 2-methyl- c513359  
1398 C5H10 2-Pentene, (E)- c646048  
1399 C5H10 2-Pentene, (Z)- c627203  
1400 C5H10 Cyclopentane c287923  
1401 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1402 CH2CHCH2CH2CH3 1-pentene pentene  
1403 C5H11 2-Methylbut-2-yl radical c4348350  
1404 C5H12 Butane, 2-methyl- buta2  
1405 C5H12 Pentane pentane  
1406 C5H12 Propane, 2,2-dimethyl- neopentane  
1407 Si(CH3)4 tetramethylsilane tms  
1408 N2O3 Dinitrogen trioxide n2o3  
1409 C3H2N2 Malononitrile c3h2n2  
1410 CH2N4 1H-Tetrazole 1htz  
1411 C3H3N2 imidazolyl radical im  
1412 C3H3N2- imidizolyl anion im-  
1413 C2H3N3 1H-1,2,4-Triazole c288880  
1414 C4H4N pyrrolide radical c4h4n  
1415 C4H4N- pyrrolide anion c4h4n-  
1416 C3H4N2 1H-Imidazole 1himidaz  
1417 C3H4N2 1H-Pyrazole 1hpyraz  
1418 C3H4N2 2H-Imidazole imid2h  
1419 C3H4N2 4H-Imidazole imid4h  
1420 C4H5N (E)-2-Butenenitrile c627269  
1421 C4H5N (Z)-2-Butenenitrile c1190767  
1422 C4H5N 2H-pyrrole pyrrole2  
1423 C4H5N 3H-pyrrole pyrrole3  
1424 C4H5N Cyclopropanecarbonitrile c5500210  
1425 C4H5N Pyrrole pyrrole  
1426 CH2CHCH2CN Allylcyanide ch2chch2cn  
1427 C4H6N+ pyrrole, alpha-protonated appyr  
1428 C4H6N+ pyrrole, beta-protonated bppyr  
1429 C4H6N+ pyrrole, protonated ppyr  
1430 C3H6N2 3-Aminopropionitrile c151188  
1431 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1432 CH3CH2CH2CN Butanenitrile c109740  
1433 C5H8 Bicyclo[2.1.0]pentane c185944  
1434 C5H8 Spiropentane c157404  
1435 C4H9N Cyclobutylamine cbam  
1436 C4H9N Pyrrolidine pyrrolidine  
1437 C3H10N2 1,2-Diaminopropane diampr12  
1438 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1439 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1440 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1441 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1442 NH(C2H5)2 diethylamine dea  
1443 NC4H12+ tetramethyl ammonium cation nc4h12+  
1444 C3O2 Carbon suboxide c3o2  
1445 C3O2+ Carbon suboxide cation c3o2+  
1446 B2O3 diboron trioxide b2o3  
1447 MgCO3 Magnesium Carbonate mgco3  
1448 BeCO3 Beryllium Carbonate beco3  
1449 CaCO3 Calcium Carbonate caco3  
1450 ONONO Nitrosyl nitrite onono  
1451 PO4--- phosphate po4---  
1452 SO4-- sulfate so4--  
1453 HOONO2 peroxy nitric acid hoono2  
1454 HSO4- bisulfate anion hso4-  
1455 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1456 C3H2O2 Propiolic acid c3h2o2  
1457 CHOCOOH oxo acetic acid oaa  
1458 CHOOCHO diformyl ether choocho  
1459 H2SO4 Sulfuric acid h2so4  
1460 H2SeO4 Selenic acid h2seo4  
1461 C3H3NO Isoxazole isox  
1462 C3H3NO Oxazole oxazole  
1463 C3H3NS Thiazole thiazole  
1464 CH3C(O)OO acetyl peroxy radical ch3coo2  
1465 CH3NO3 Methyl nitrate ch3no3  
1466 H3PO4 Phosphoric Acid h3po4  
1467 C4H4O Furan furan  
1468 C4H4O+ Furan cation furan+  
1469 CH3COCCH 3-butyn-2-one c1423605  
1470 C4H4S Thiophene furans  
1471 C4H4Se selenophene c4h4se  
1472 C3H4O2 β–Propiolactone beta  
1473 C3H4O2 2-Propenoic acid propenoic2  
1474 C3H4O2 Methyl glyoxal megly  
1475 C3H4O2 propanedial propanedial  
1476 C3H4O2 propenalol propenalol  
1477 HOCHCCHOH allenediol aldiol  
1478 C2H4O3 1,2,3-trioxolane c2h4o3  
1479 C2H4O3 trioxolane124 triox  
1480 HOCH2COOH Hydroxyacetic acid hac  
1481 CH2CHCONH2 Acrylamide c79061  
1482 CH3OCH2CN Methoxyacetonitrile c1738369  
1483 CH5N3S Hydrazinecarbothioamide c79196  
1484 H2NCH2COOH Glycine glycine  
1485 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1486 C4H6O cis-2-butenal butenal2c  
1487 C4H6O Cyclobutanone cbutone  
1488 C4H6O Furan, 2,3-dihydro- furan23h  
1489 C4H6O Furan, 2,5-dihydro- furan25h  
1490 CH2CHOCHCH2 Vinyl ether vinylether  
1491 CHOCHCHCH3 2-Butenal butenal2  
1492 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1493 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1494 CH2CHSCHCH2 Divinyl sulfide divis  
1495 C2H6N2O Urea, methyl- c598505  
1496 C3H6O2 1,3-Dioxolane dioxolane  
1497 CH3CH2COOH Propanoic Acid propanoic  
1498 CH3COOCH3 methyl acetate aame  
1499 HCOOC2H5 Ethyl formate faee  
1500 C2H6O2S Dimethyl sulfone c67710  
1501 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1502 C3H7NO dimethylformamide dmf  
1503 C3H7NO Propanamide propanam  
1504 C2H3OC2H5 Ethene, ethoxy- c109922  
1505 C4H8O Cyclobutanol c2919235  
1506 C4H8O Furan, tetrahydro- thf  
1507 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1508 CH3COCH2CH3 2-Butanone buta2one  
1509 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1510 CHOCH2CH2CH3 Butanal butanal  
1511 C4H8S Thiophene, tetrahydro- tht  
1512 C3H8O2 1,3-Propanediol c504632  
1513 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1514 C3H8O2 Methane, dimethoxy- c109875  
1515 C3H8O2 Propylene glycol c57556  
1516 C3H8S2 1,3-Propanedithiol c109808  
1517 C4H10O 1-Butanol butanol1  
1518 C4H10O 1-Propanol, 2-methyl- c78831  
1519 C4H10O 2-Butanol, (.+/-.)- butanol2  
1520 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1521 C4H10O Ethoxy ethane etoet  
1522 C4H10O Methyl propyl ether meopr  
1523 C4H10O Propane, 2-methoxy- c598538  
1524 C4H10O+ 1-Butanol cation butanol1+  
1525 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1526 C2H5SC2H5 Diethyl sulfide etset  
1527 C4H9SH 1-Butanethiol bush  
1528 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1529 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1530 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1531 FNO3 Fluorine nitrate fno3  
1532 ClONO2 Chlorine nitrate clono2  
1533 BrONO2 Bromine nitrate brono2  
1534 TiCl4 Titanium tetrachloride ticl4  
1535 ClO4- perchlorate anion clo4-  
1536 BF4- tetrafluoroboron anion bf4-  
1537 ClFO3 Perchloryl fluoride clfo3  
1538 SO2F2 Sulfuryl fluoride so2f2  
1539 SO2Cl2 Sulfuryl chloride so2cl2  
1540 F3NO Nitrogen trifluoride oxide f3no  
1541 F3PO Phosphoryl fluoride pf3o  
1542 Cl3PO Phosphoryl chloride pcl3o  
1543 CF4 Carbon tetrafluoride cf4  
1544 CF3Cl Methane, chlorotrifluoro- cf3cl  
1545 SiF4 Silicon tetrafluoride sif4  
1546 CF2Cl2 difluorodichloromethane cf2cl2  
1547 TiF4 Titanium tetrafluoride tif4  
1548 CFCl3 Trichloromonofluoromethane cfcl3  
1549 CCl4 Carbon tetrachloride ccl4  
1550 CCl4+ Carbon tetrachloride cation ccl4+  
1551 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1552 SiCl4 Silane, tetrachloro- sicl4  
1553 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1554 CF3I trifluoroiodomethane cf3i  
1555 CBrCl3 Methane, bromotrichloro- cbrcl3  
1556 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1557 GeCl4 Germanium Tetrachloride gecl4  
1558 CBr2Cl2 dibromodichloromethane cbr2cl2  
1559 CFBr3 fluorotribromomethane cfbr3  
1560 CBr3Cl tribromochloromethane cbr3cl  
1561 SiBr4 Silicon tetrabromide sibr4  
1562 CBr3I tribromoiododmethane cbr3i  
1563 ClOF3 Chlorine trifluoride oxide clof3  
1564 SF4 Sulfur tetrafluoride sf4  
1565 SeF4 Selenium tetrafluoride sef4  
1566 SCl4 Sulfur tetrachloride scl4  
1567 C2HF3 Trifluoroethylene c2hf3  
1568 C2HF3+ Trifluoroethylene cation c2hf3+  
1569 CHClCCl2 Trichloroethylene chclccl2  
1570 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1571 HClO4 perchloric acid hclo4  
1572 HSO3F Fluorosulfonic acid hso3f  
1573 CF3OH trifluoromethanol cf3oh  
1574 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1575 CHClCCHCl 1,3-dichloroallene chclcchcl  
1576 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1577 CHCl2CHO dichloroacetaldehyde chcl2cho  
1578 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1579 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1580 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1581 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1582 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1583 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1584 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1585 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1586 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1587 NH3BCl3 Amminetrichloroboron nh3bcl3  
1588 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1589 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1590 C3H5ClO Oxirane, (chloromethyl)- c106898  
1591 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1592 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1593 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1594 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1595 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1596 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1597 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1598 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1599 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1600 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1601 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1602 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1603 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1604 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1605 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1606 C4H9F 1-fluorobutane butaf1  
1607 CH3CHFCH2CH3 2-fluorobutane butaf2  
1608 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1609 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1610 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1611 C2H2N2O Furazan furazan  
1612 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1613 NH3BF3 Amminetrifluoroboron nh3bf3  
1614 C6H2 hexatriyne c6h2  
1615 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1616 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1617 C6H4 Benzyne benzyne  
1618 C6H5 phenyl phenyl  
1619 C6H5- phenyl anion phenyl-  
1620 C6H6 Prismane prismane  
1621 C6H6 1,2,4,5-Hexatetraene ht1245  
1622 C6H6 2,4-Hexadiyne hexadiyne  
1623 C6H6 3,4-Dimethylenecyclobutene cb34m  
1624 C6H6 Benzene benzene  
1625 C6H6 Benzvalene bv  
1626 C6H6 Dewar Benzene dewar  
1627 C6H6 Hexa-1,5-diene-3-yne hdy153  
1628 C6H6 Trimethylenecycopropane tmcp  
1629 C6H6+ Benzene cation c6h6+  
1630 C6H7+ benzene, protonated c6h7+  
1631 C6H8 (E)-hexa-1,3,5-triene c821078  
1632 C6H8 (E)-hexa-2,3,4-triene c59660650  
1633 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1634 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1635 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1636 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1637 C6H8 3-Methylenecyclopentene c930267  
1638 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1639 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1640 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1641 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1642 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1643 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1644 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1645 C6H10 1,5-Hexadiene c592427  
1646 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1647 C6H10 1-Hexyne hexyne1  
1648 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1649 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1650 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1651 C6H10 2-Hexyne c764352  
1652 C6H10 3-Hexyne hexyne3  
1653 C6H10 cyclohexene cyclohexene  
1654 C6H10 Cyclopentene, 1-methyl- c693890  
1655 C6H10 Cyclopentene, 3-methyl- c1120623  
1656 C6H10 Cyclopentene, 4-methyl- c1759815  
1657 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1658 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1659 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1660 C6H12 (E)-2-Hexene e2hexene  
1661 C6H12 (E)-3-methylpent-2-ene c616126  
1662 C6H12 (E)-hex-3-ene e3hexene  
1663 C6H12 (Z)-3-methylpent-2-ene c922623  
1664 C6H12 (Z)-hex-2-ene z2hexene  
1665 C6H12 (Z)-hex-3-ene z3hexene  
1666 C6H12 2,3-dimethylbut-1-ene c563780  
1667 C6H12 2,3-dimethyl-but-2-ene tmeet  
1668 C6H12 3-methylenepentane c760214  
1669 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1670 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1671 C6H12 Cyclohexane cyclohexane  
1672 C6H12 Cyclopentane, methyl- c96377  
1673 C6H12 Ethylcyclobutane c4806615  
1674 C6H12 hex-1-ene hexene1  
1675 C6H14 Butane, 2,2-dimethyl- buta22  
1676 C6H14 Butane, 2,3-dimethyl- buta23  
1677 C6H14 Hexane hexane  
1678 C6H14 Pentane, 2-methyl- penta2  
1679 C6H14 Pentane, 3-methyl- penta3  
1680 C4N2 2-Butynedinitrile c4n2  
1681 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1682 C4H2N2 Fumaronitrile c4h2n2  
1683 C2H2N4 sym-tetrazine ttz  
1684 C3H3N3 1,3,5-Triazine triazine135  
1685 CH3N5 5-Aminotetrazole c4418615  
1686 C4H4N2 1,3-Diazine diazine13  
1687 C4H4N2 Pyrazine pyrazine  
1688 C4H4N2 Pyridazine pyridazine  
1689 C4H4N2 Succinonitrile c110612  
1690 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1691 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1692 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1693 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1694 C5H5N E-2,4-pentadienenitrile bdcn  
1695 C5H5N Pyridine pyridine  
1696 B3N3H6 borazine borazine  
1697 C6H6 Fulvene fulvene  
1698 C5H6N+ Pyridinium c5h6n  
1699 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1700 C5H7N (E)-2-Pentenenitrile c26294984  
1701 C5H7N (E)-3-Pentenenitrile c16529661  
1702 C5H7N (Z)-2-Pentenenitrile c25899507  
1703 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1704 C5H7N Cyclobutanecarbonitrile c4426113  
1705 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1706 C5H9N Butanenitrile, 2-methyl- c18936179  
1707 C5H9N Pentanenitrile c110598  
1708 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1709 C6H10 Bicyclo[3.1.0]hexane c285585  
1710 C5H11N Cyclopentanamine cypentam  
1711 C5H11N Piperidine piper  
1712 C4H12N2 1,2-Butanediamine c4426486  
1713 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1714 Li2CO3 Lithium Carbonate li2co3  
1715 Na2CO3 Sodium Carbonate na2co3  
1716 C2O4-- oxalate anion c2o4  
1717 MgSO4 Magnesium Sulfate mgso4  
1718 N2O4 Dinitrogen tetroxide n2o4  
1719 C3H2O3 vinylene carbonate vica  
1720 C2H2O4 Oxalic Acid oxalic  
1721 C2H3NO3 Oxamic acid oxamic  
1722 C4H4O2 2(5H)-Furanone furanone  
1723 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1724 C2H4N2O2 Oxalamide oxalamide  
1725 C2H4N2S2 Ethanedithioamide c79403  
1726 C2H4CO3 Ethylene carbonate etco3  
1727 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1728 C3H4S3 1,3-Dithiolane-2-thione c822388  
1729 C2H4O4 Formic acid dimer fadimer  
1730 C4H5NO 3-Methylisoxazole isox3m  
1731 C4H5NO Isoxazole, 5-methyl- c5765446  
1732 C4H5NS 4-Methylthiazole c693958  
1733 C2H5NO3 Nitric acid, ethyl ester c625581  
1734 C5H6O 2H-Pyran pyran2  
1735 C5H6O 2-methylfuran furan2m  
1736 C5H6O 3-Methylfuran furan3m  
1737 C5H6O Pentadienal pdal  
1738 C5H6S Thiophene, 2-methyl- c554143  
1739 C5H6S Thiophene, 3-methyl- c616444  
1740 C4H6O2 γ–Butyrolactone c96480  
1741 C4H6O2 2,3-Butanedione c431038  
1742 C4H6O2 2-Propenoic acid, methyl ester c96333  
1743 C4H6O2 Crotonic Acid crot  
1744 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1745 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1746 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1747 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1748 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1749 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1750 C4H6OS Vinyl sulfoxide c1115157  
1751 CH6N4S Carbonothioic dihydrazide thiacarb  
1752 C2H6N2O2 (E)-Azodioxymethane c37765154  
1753 C2H6N2O2 Dimethylnitroamine c4164287  
1754 C3H6O3 1,3,5-Trioxane trioxane  
1755 C3H6S3 1,3,5-Trithiane c3h6s3  
1756 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1757 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1758 C4H7NO 2-Pyrrolidinone c616455  
1759 C4H7NO Ethoxyacetonitrile etoaccn  
1760 C4H7NO Methacrylamide c79390  
1761 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1762 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1763 C3H7ONO Propyl nitrite prono  
1764 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1765 CH3CH(NH2)COOH Alanine alanine  
1766 CH3NHCH2COOH Sarcosine sarcosine  
1767 NH2CH2CH2COOH β–alanine betaalanine  
1768 NH2COOC2H5 Urethane urethane  
1769 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1770 C5H8O Cyclopentanone c120923  
1771 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1772 C5H8O Methyl cyclopropyl ketone c765435  
1773 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1774 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1775 NH2CONHC2H5 Urea, ethyl- c625525  
1776 C4H8O2 1,3-Dioxane dioxan13  
1777 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1778 C4H8O2 1,4-Dioxane dioxan14  
1779 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1780 C4H8O2 Ethyl acetate c141786  
1781 C4H8OS s-Ethyl thioacetate c625605  
1782 C3H8O3 1,2,3-Propanetriol glycerin  
1783 C3H8O2S (Methylsulfonyl)ethane c594434  
1784 C4H9NO Butanamide c541355  
1785 C4H9NO Propanamide, 2-methyl- c563837  
1786 C5H10O 2-Butanone, 3-methyl- c563804  
1787 C5H10O 2H-Pyran, tetrahydro- c142687  
1788 C5H10O 2-methylbutyraldehyde 2meba  
1789 C5H10O 2-Pentanone mpk  
1790 C5H10O 3-Pentanone dek  
1791 C5H10O Cyclopentanol c96413  
1792 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1793 C5H10O Pentanal pal  
1794 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1795 C5H10S 3-Ethylthio-1-propene c5296628  
1796 C5H10S Cyclopentanethiol c1679078  
1797 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1798 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1799 C4H10O2 1,1-Dimethoxyethane c534156  
1800 C4H10O2 1,3-Butanediol budiol13  
1801 C4H10O2 1,4-Butanediol budiol14  
1802 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1803 C4H10OS Diethyl sulfoxide c70291  
1804 C4H10S2 1,4-Butanedithiol budisl14  
1805 C4H11NO Diethylhydroxylamine c3710847  
1806 C5H12O 1-Butanol, 2-methyl- c137326  
1807 C5H12O 1-Butanol, 3-methyl- c123513  
1808 C5H12O 1-Pentanol pentanol1  
1809 C5H12O 2-Butanol, 3-methyl- c598754  
1810 C5H12O 2-Pentanol peol2  
1811 C5H12O 3-Pentanol pentan3ol  
1812 C5H12O Butane, 1-methoxy- meobu  
1813 C5H12O Propane, 1-ethoxy- proet  
1814 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1815 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1816 C5H12S 1-Butanethiol, 3-methyl- c541311  
1817 C5H12S 1-Pentanethiol c110667  
1818 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1819 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1820 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1821 C5H12S Butane, 1-(methylthio)- c628295  
1822 C5H12S Ethyl propyl sulfide c4110503  
1823 C5H12S Propane, 2-(ethylthio)- c5145993  
1824 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1825 C4F2 difluorobutadiyne c4f2  
1826 ClCOClCO Oxalyl chloride oxcl  
1827 CF3CN Acetonitrile, trifluoro- cf3cn  
1828 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1829 B2F4 Diboron tetrafluoride b2f4  
1830 B2Cl4 Diboron tetrachloride b2cl4  
1831 C2F4 Tetrafluoroethylene c2f4  
1832 C2F4+ Tetrafluoroethylene cation c2f4+  
1833 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1834 CF2CCl2 difluorodichloroethylene cf2ccl2  
1835 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1836 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1837 C2FCl3 fluorotrichloroethene c2fcl3  
1838 C2Cl4 Tetrachloroethylene c2cl4  
1839 CF3OF Trifluoromethylhypofluorite cf3of  
1840 SiF5- silicon pentafluoride anion sif5-  
1841 SOF4 Sulfur tetrafluoride oxide sof4  
1842 PF5 Phosphorus pentafluoride pf5  
1843 AsF5 Arsenic pentafluoride asf5  
1844 PCl5 Phosphorus pentachloride pcl5  
1845 SF5 Sulfur pentafluoride sf5  
1846 SF5+ pentafluoro sulfur cation sf5+  
1847 SbCl5 Antimony pentachloride sbcl5  
1848 BrF5 bromine pentafluoride brf5  
1849 ClF5 chlorinepentafluoride clf5  
1850 CF3CHO trifluoroacetaldehyde cf3cho  
1851 CCl3CHO trichloroacetaldehyde ccl3cho  
1852 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1853 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1854 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1855 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1856 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1857 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1858 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1859 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1860 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1861 CF3COOH trifluoroacetic acid cf3cooh  
1862 C4H3ClO Furan, 2-chloro fur2cl  
1863 C4H3ClO Furan,3-chloro fur3cl  
1864 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1865 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1866 C4H8Cl2 1,4-Dichlorobutane c110565  
1867 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1868 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1869 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1870 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1871 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1872 C5H11Cl Pentane, 1-chloro- pencl1  
1873 C4H8O2 Butanoic acid bua  
1874 C6H5CH2 benzyl radical benzyl  
1875 C7H7 cycloheptatrienyl radical c7h7  
1876 C7H7+ cycloheptatrienyl cation c7h7+  
1877 C6H5CH3 toluene toluene  
1878 C7H8 cycloheptatriene cht  
1879 C7H8 Norbornadiene norbor  
1880 C7H8 Quadricyclane qucy  
1881 C7H12 Norbornane nor  
1882 C7H14 cycloheptane c7h14  
1883 C7H16 2-methylhexane 2mhex  
1884 C7H16 3-methylhexane hex3m  
1885 C7H16 heptane heptane  
1886 CH(CN)3 tricyanomethane mecn3  
1887 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1888 C6H7N 2-Methylpyridine mp  
1889 C6H5NH2 aniline aniline  
1890 C6H13N 2-Methylpiperidine pip2m  
1891 C6H13N cyclohexanamine cham  
1892 C6H15N triethylamine tea  
1893 N2O5 Dinitrogen pentoxide n2o5  
1894 C4H2O3 Maleic Anhydride malan  
1895 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1896 C5H4O2 furfural furfural  
1897 C6H5O phenoxy radical phenoxy  
1898 C5H5NO 2(1H)-Pyridinone c72762006  
1899 C5H5NO 2(3H)-Pyridinone c9000048  
1900 C5H5NO 2(5H)-Pyridinone c9000037  
1901 C5H5NO 2-Pyridinol c109104  
1902 C5H5NO 3(2H)-Pyridinone c9000004  
1903 C5H5NO 3(4H)-Pyridinone c9000026  
1904 C5H5NO 3(6H)-Pyridinone c9000015  
1905 C5H5NO 3-Pyridinol c109002  
1906 C5H5NO 4(1H)-Pryidinone c9000060  
1907 C5H5NO 4(3H)-Pryidinone c9000059  
1908 C5H5NO 4-Pyridinol c626642  
1909 C6H5OH phenol phenol  
1910 C6H6O 2,4-Cyclohexadienone c24599573  
1911 C6H6O 2,5-Cyclohexadienone c5664335  
1912 C6H5SH Benzenethiol phsh  
1913 HO2CCHNH2CH2OH Serine serine  
1914 C5H8O2 Acetylacetone acac  
1915 C4H8O2S Sulfolane sulfolane  
1916 C7H10 Norbornene norbornene  
1917 CH(C2H3)3 trivinyl methane tvm  
1918 C6H10O cyclohexanone chexo  
1919 C6H12O hexanal c6h12o  
1920 C6H12O Oxepane oxepane  
1921 C3H7OC3H7 di-n-propyl ether propr  
1922 F2CCCF2 tetrafluoroallene pfa  
1923 CF3COO- trifluoro acetate anion cf3coo-  
1924 CF3COF trifluoroacetyl fluoride cf3cof  
1925 CF3COCl trifluoroacetyl chloride cf3cocl  
1926 PF6 Hexafluorophosphate neutral pf6  
1927 PF6- Hexafluorophosphate ion pf6-  
1928 SF6 Sulfur Hexafluoride sf6  
1929 SeF6 Selenium hexafluoride sef6  
1930 SF5Cl sulfur chloropentafluoride sf5cl  
1931 CF3CHF2 pentafluoroethane cf3chf2  
1932 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1933 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1934 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1935 CCl3CHCl2 pentachloroethane ccl3chcl2  
1936 C6H5F Fluorobenzene bzf  
1937 C6H5Cl chlorobenzene bzcl  
1938 C6H5Br bromobenzene bzbr  
1939 C8H6 Calicene calicene  
1940 C6H5CCH phenylacetylene phac  
1941 C8H6 benzocyclobutadiene bcbd  
1942 C8H6 Pentalene pentalene  
1943 C6H5CHCH2 Styrene styrene  
1944 C8H8 cubane cubane  
1945 C8H8 cyclooctatetraene cot  
1946 C6H5CH2CH3 Ethylbenzene etbz  
1947 CH3C6H4CH3 meta-xylene mxylene  
1948 CH3C6H4CH3 paraxylene pxylene  
1949 C8H14 Bicyclo[2.2.2]octane bico222  
1950 C8H16 cyclooctane cyclooct  
1951 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1952 C8H18 Octane c8h18  
1953 C6H5CN phenyl cyanide phcn  
1954 C6H12N2 Triethylenediamine ted  
1955 C4O4-- squarate dianion c4o4--  
1956 S4N4 Tetrasulfur tetranitride s4n4  
1957 S8 Octasulfur s8  
1958 C6H4O2 parabenzoquinone pbq  
1959 C4H4N2O2 Uracil uracil  
1960 C6H5CHO benzaldehyde benzal  
1961 C6H5OCH3 Anisole anisole  
1962 C5H9NO2 Proline proline  
1963 C6H12O2 Methyl pivalate c598981  
1964 C6H12O2 Hexanoic acid hexa  
1965 C4F4 tetrafluorcyclobutadiene c4f4  
1966 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1967 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1968 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1969 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1970 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1971 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1972 C2F6 hexafluoroethane c2f6  
1973 C2Cl6 hexachloroethane c2cl6  
1974 IF7 Iodine heptafluoride if7  
1975 C6H4F2 metadifluorobenzene mdfb  
1976 C6H4F2 orthodifluorobenzene odfb  
1977 C6H4F2 1,4-difluorobenzene pdfb  
1978 C6H4Cl2 1,2-dichlorobenzene dcb12  
1979 C6H4Cl2 1,3-dichlorobenzene dcb13  
1980 C6H4Cl2 1,4-dichlorobenzene dcb14  
1981 C6H5NO nitrosobenzene bzno  
1982 C9H8 Indene indene  
1983 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1984 C9H12 n-propyl benzene prbz  
1985 C9H20 Nonane nonane  
1986 C(CN)4 tetracyanomethane c5n4  
1987 C5H4N4 purine purine  
1988 C8H7N Indole indole  
1989 C3H3N3O3 cyanuric acid cyanuric  
1990 C6H5NO2 Nitrobenzene c6h5no2  
1991 C6H5COOH benzoic acid benzo  
1992 CH3COC6H5 acetophenone acph  
1993 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1994 C3F6 hexafluoropropene c3f6  
1995 C6H3F3 Benzene trifluoride 123 bzf3a  
1996 C8H18O 1-Octanol octanol  
1997 C10H8 Azulene azu  
1998 C10H8 naphthalene naph  
1999 C10H10 bullvalene bullv  
2000 C10H16 adamantane adamantane  
2001 C6N4 Tetracyanoethylene tcne  
2002 C6N4- tetracyanoethylene anion tcne-  
2003 C10H22 Decane decane  
2004 C4F6 perfluorobutadiene c4f6  
2005 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2006 C3F8 perfluoropropane c3f8  
2007 Fe(CO)5 Iron pentacarbonyl ipc  
2008 Fe(C5H5)2 ferrocene fecp2  
2009 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2010 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2011 C12H8 Acenaphthylene acenaph  
2012 C12H8 biphenylene biph  
2013 C12H10 biphenyl biphenyl  
2014 C12H10 Heptalene heptalene  
2015 C6H12O6 Inositol inositol  
2016 C6F6 hexafluorobenzene c6f6  
2017 S2F10 disulphur decafluoride s2f10  
2018 C13H10 Fluorene fluorene  
2019 C14H10 Anthracene anth  
2020 C14H10 Phenanthrene phenanthrene  
2021 C14H14 Bibenzyl bibenzyl  
2022 C12H10N2 azobenzene azobenzene  
2023 C6H5COC6H5 benzophenone benzophenone  
2024 C16H10 Pyrene pyrene  
2025 C18H12 Tetracene tetracene  
2026 C19H16 Triphenylmethane tpm  
2027 C24H12 Coronene coronene  
2028 C60 Buckminsterfullerene c60