return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Resources > Info on Results > Calculations Done > Method and basis set

List of which calculations are completed at CCSD// MP2FC/6-31G* /cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 B Boron atom 2PKh
5 BH Boron monohydride 1ΣC∞v
6 BH2 boron dihydride 2A1C2v
7 BH3 boron trihydride 1A1'D3h
8 C Carbon atom 3P0Kh
9 CH Methylidyne 2Π1/2C∞v
10 CH2 Methylene 3B1C2v
11 CH3 Methyl radical 2A1D3h
12 CH4 Methane 1A1Td
13 NH Imidogen 3Σ-C∞v
14 ND2 Amidogen-d2 2B1C2v
15 NH2 Amino radical 2B1C2v
16 NH3 Ammonia 1A1C3v
17 O Oxygen atom 3SKh
18 OH Hydroxyl radical 2ΠC∞v
19 D2O Deuterium oxide 1A1C2v
20 H2O Water 1A1C2v
21 F Fluorine atom 2PKh
22 HF Hydrogen fluoride 1ΣC∞v
23 B2H6 Diborane 1AgD2h
24 C2 Carbon diatomic 1Σg+D∞h
25 C2H Ethynyl radical 2ΣC∞v
26 C2H2 Acetylene 1ΣgD∞h
27 C2H3 vinyl 2A'Cs
28 C2H4 Ethylene 1AgD2h
29 C2H5 Ethyl radical 2A'Cs
30 C2H6 Ethane 1A1gD3d
31 CN Cyano radical 2ΣC∞v
32 N2 Nitrogen diatomic 1ΣgD∞h
33 HCN Hydrogen cyanide 1ΣC∞v
34 CH2NH Methanimine 1A'Cs
35 N2H4 Hydrazine 1AC2
36 CH3NH2 methyl amine 1A'Cs
37 BO boron monoxide 2ΣC∞v
38 CO Carbon monoxide 1ΣC∞v
39 NO Nitric oxide 2ΠC∞v
40 O2 Oxygen diatomic 3ΣgD∞h
41 HBO Boron hydride oxide 1ΣC∞v
42 HCO Formyl radical 2A'Cs
43 HNO Nitrosyl hydride 1A'Cs
44 HO2 Hydroperoxy radical 2A"Cs
45 H2CO Formaldehyde 1A1C2v
46 H2O2 Hydrogen peroxide 1AC2
47 CH2OH Hydroxymethyl radical 2AC1
48 CH3O Methoxy radical 2A'C1
49 NH2OH hydroxylamine 1A'Cs
50 CH3OH Methyl alcohol 1A'Cs
51 BF Boron monofluoride 1ΣC∞v
52 CF Fluoromethylidyne 2ΠC∞v
53 NF nitrogen fluoride 3ΣC∞v
54 FO Oxygen monofluoride 2ΠC∞v
55 F2 Fluorine diatomic 1ΣgD∞h
56 HCF Fluoromethylene 1A'Cs
57 HOF Hypofluorous acid 1A'Cs
58 H2F2 Hydrogen fluoride dimer 1AgCs
59 CH3F Methyl fluoride 1A1C3v
60 C3H3 Propargyl radical 2B1Cs
61 CH2CCH2 allene 1A1D2d
62 CH3CCH propyne 1A'C3v
63 C3H6 Cyclopropane 1A1'D3h
64 CH2CHCH3 Propene 1A'Cs
65 C3H7 n-Propyl radical 2A"C1
66 C3H8 Propane 1A1C2v
67 CH3CN Acetonitrile 1A1C3v
68 C2H5N Aziridine 1A'C1
69 CH3CH2NH2 Ethylamine 1A'Cs
70 CH3NHCH3 Dimethylamine 1A'Cs
71 BO2 Boron dioxide 2A'D∞h
72 N2O Nitrous oxide 1ΣC∞v
73 CO2 Carbon dioxide 1ΣgD∞h
74 NO2 Nitrogen dioxide 2A1C2v
75 O3 Ozone 1A1Cs
76 HNCO Isocyanic acid 1A'Cs
77 HNO2 Nitrous acid 1A'Cs
78 CH2CO Ketene 1A1C2v
79 HCOOH Formic acid 1A'Cs
80 C2H4O Ethylene oxide 1A1C2v
81 CH3CHO Acetaldehyde 1A'Cs
82 CH3CH2OH Ethanol 1A'Cs
83 CH3OCH3 Dimethyl ether 1A1C2v
84 FNO Nitrosyl fluoride 1A'Cs
85 CF2 Difluoromethylene 1A1D∞h
86 FOO Dioxygen monofluoride radical 2A"Cs
87 NF2 Difluoroamino radical 2B1C2v
88 F2O Difluorine monoxide 1A1C2v
89 BHF2 Difluoroborane 1A1C2v
90 CH2F2 Methane, difluoro- 1A1C2v
91 CH2CHF Ethene, fluoro- 1A'Cs
92 C4H6 1-Methylcyclopropene 1AC1
93 C4H6 Cyclobutene 1A1C2v
94 C4H6 Methylenecyclopropane 1A1C2v
95 CH2CCHCH3 1,2-Butadiene 1A'C1
96 CH2CHCHCH2 1,3-Butadiene 1AgC2h
97 CH3CCCH3 2-Butyne 1A1'D3h
98 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
99 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
100 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
101 C2N2 Cyanogen 1ΣgD∞h
102 C3H3N acrylonitrile 1A'Cs
103 C3H7N Cyclopropylamine 1A'C1
104 C4H8 cyclobutane 1A1D2d
105 B2O2 Diboron dioxide 1ΣgD∞h
106 HNO3 Nitric acid 1A'Cs
107 C2H2O2 Ethanedial 1AgC2h
108 CH3NO2 Methane, nitro- 1A'Cs
109 CH3ONO Methyl nitrite 1A'C1
110 C3H4O Cyclopropanone 1A1C2v
111 NH2CONH2 Urea 1AC2
112 CH3COOH Acetic acid 1A'Cs
113 CH3OCHO methyl formate 1A'Cs
114 CH3CHNOH Acetaldoxime 1A'CS trans
115 CH3CONH2 Acetamide 1A'C1
116 CH3CH2CHO Propanal 1A'Cs
117 CH3COCH3 Acetone 1A1C2v
118 C2H6O2 1,2-Ethanediol 1AgC2h
119 N2F2 (Z)-Difluorodiazene 1A1C2v
120 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
121 CF2O Carbonic difluoride 1A1C2v
122 BF3 Borane, trifluoro- 1A'D3h
123 CF3 Trifluoromethyl radical 2A1C3v
124 NF3 Nitrogen trifluoride 1A1C3v
125 CHF3 Methane, trifluoro- 1A1C3v
126 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
127 CH3COF Acetyl fluoride 1A'NULL
128 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
129 C5H6 1,3-Cyclopentadiene 1A1C2v
130 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
131 C4H5N (E)-2-Butenenitrile 1A'Cs
132 C4H5N (Z)-2-Butenenitrile 1A'Cs
133 C4H5N Cyclopropanecarbonitrile 1A'Cs
134 C4H5N Pyrrole 1A1C2v
135 C3O2 Carbon suboxide 1ΣGD∞h
136 C3H3NO Isoxazole 1A'Cs
137 CH3NO3 Methyl nitrate 1A'Cs
138 C4H4O Furan 1A1C2
139 C3H4O2 β–Propiolactone 1A'Cs
140 C3H4O2 2-Propenoic acid 1A'Cs
141 CH3OCH2CN Methoxyacetonitrile 1A'Cs
142 CH2CHOCHCH2 Vinyl ether 1A1C2v
143 CHOCHCHCH3 2-Butenal 1A'Cs
144 CH3COOCH3 methyl acetate 1A'Cs
145 FNO3 Fluorine nitrate 1A'Cs
146 F3NO Nitrogen trifluoride oxide 1A1C3v
147 CF4 Carbon tetrafluoride 1A1Td
148 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
149 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
150 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
151 C4N2 2-Butynedinitrile 1ΣgD∞h
152 C3H3N3 1,3,5-Triazine 1A1'D3h
153 C4H4N2 1,3-Diazine 1A1C2v
154 C4H4N2 Pyrazine 1AgD2h
155 C4H4N2 Pyridazine 1A1C2v
156 C4H4N2 Succinonitrile 1AgC2h
157 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
158 C5H5N Pyridine 1A1C2v
159 N2O4 Dinitrogen tetroxide 1AgD2d
160 C2H4N2O2 Oxalamide 1AgC2h
161 CF3CN Acetonitrile, trifluoro- 1A1C3v
162 B2F4 Diboron tetrafluoride 1AGD2h
163 C2F4 Tetrafluoroethylene 1AgD2h

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 anion h-  
5 D2 Deuterium diatomic d2  
6 H2- hydrogen diatomic anion h2-  
7 H2+ Hydrogen cation h2+  
8 HD Deuterium hydride hd  
9 H3+ hydrogen trimer cation h3+  
10 He Helium atom he  
11 He- Helium atom anion he-  
12 He+ Helium atom cation he+  
13 HeH Helium hydride heh  
14 HeH+ Helium hydride cation heh+  
15 He2+ helium diatomic cation he2+  
16 Li Lithium atom li  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na Sodium atom na  
20 Na- Sodium atom anion na-  
21 Na+ Sodium atom cation na+  
22 K Potassium atom k  
23 K- Potassium atom anion k-  
24 K+ Potassium atom cation k+  
25 Cu Copper atom cu  
26 Cu- Copper atom anion cu-  
27 Cu+ Copper atom cation cu+  
28 LiH Lithium Hydride lih  
29 LiH- lithium hydride anion lih-  
30 LiH+ lithium hydride cation lih+  
31 NaH sodium hydride nah  
32 NaH- sodium hydride anion nah-  
33 NaH+ sodium hydride cation nah+  
34 KH Potassium hydride kh  
35 KH+ Potassium hydrogen cation kh+  
36 CuH Copper monohydride cuh  
37 Be Beryllium atom be  
38 Be- Beryllium atom anion be-  
39 Be+ Beryllium atom cation be+  
40 Mg Magnesium atom mg  
41 Mg- Magnesium atom anion mg-  
42 Mg+ Magnesium atom cation mg+  
43 Ca Calcium atom ca  
44 Ca- Calcium atom anion ca-  
45 Ca+ Calcium atom cation ca+  
46 Zn Zinc atom zn  
47 Zn- Zinc atom anion zn-  
48 Zn+ Zinc atom cation zn+  
49 BeH beryllium monohydride beh  
50 BeH- berylium monohydride anion beh-  
51 BeH+ beryllium monohydride cation beh+  
52 MgH magnesium monohydride mgh  
53 MgH- magnesium monohydride anion mgh-  
54 MgH+ magnesium monohydride cation mgh+  
55 CaH Calcium monohydride cah  
56 CaH+ Calcium monohydride cation cah+  
57 TiH Titanium monohydride tih  
58 ZnH Zinc monohydride znh  
59 ZnH+ Zinc, protonated znh+  
60 BeH2 beryllium dihydride beh2  
61 BeH2+ Beryllium dihydride cation beh2+  
62 MgH2 magnesium dihydride mgh2  
63 CaH2 Calcium Hydride cah2  
64 ZnH2 Zinc hydride znh2  
65 B- Boron atom anion b-  
66 B+ Boron atom cation b+  
67 Al Aluminum atom al  
68 Al- Aluminum atom anion al-  
69 Al+ Aluminum atom cation al+  
70 Sc Scandium atom sc  
71 Sc+ Scandium cation sc+  
72 Ga Gallium atom ga  
73 Ga- Gallium atom anion ga-  
74 Ga+ Gallium atom cation ga+  
75 BH- boron monohydride anion bh-  
76 BH+ boron monohydride cation bh+  
77 AlH aluminum monohydride alh  
78 AlH- aluminum monohydride anion alh-  
79 AlH+ aluminum monohydride cation alh+  
80 ScH Scandium monohydride sch  
81 ScH+ Scandium monohydride cation sch+  
82 GaH Gallium monohydride gah  
83 GaH+ Gallium monohydride cation gah+  
84 BH2- boron dihydride anion bh2-  
85 BH2+ Boron dihydride cation bh2+  
86 AlH2 aluminum dihydride alh2  
87 AlH2- aluminum dihydride anion alh2-  
88 AlH2+ aluminum dihydride cation alh2+  
89 BH3- boron trihydride anion bh3-  
90 BH3+ boron trihydride cation bh3+  
91 AlH3 aluminum trihydride alh3  
92 AlH3- aluminum trihydride anion alh3-  
93 AlH3+ aluminum trihydride cation alh3+  
94 ScH3 Scandium trihydride sch3  
95 GaH3 Gallium trihydride gah3  
96 BH4 borohydride bh4  
97 BH4- borohydride anion bh4-  
98 AlH4- Aluminum tetrahydride anion alh4-  
99 C- Carbon atom anion c-  
100 C+ Carbon atom cation c+  
101 Si Silicon atom si  
102 Si- Silicon atom anion si-  
103 Si+ Silicon atom cation si+  
104 Ti Titanium atom ti  
105 Ti- Titanium atom anion ti-  
106 Ti+ Titanium atom cation ti+  
107 Ge Germanium atom ge  
108 Ge- Germanium anion ge-  
109 Ge+ Germanium cation ge+  
110 Sn Tin atom sn  
111 Sn+ Tin cation sn+  
112 CH- methylidyne anion ch-  
113 CH+ Methylidyne cation ch+  
114 SiH Silylidyne sih  
115 SiH- silicon monohydride anion sih-  
116 SiH+ silicon monohydride cation sih+  
117 GeH germylidene geh  
118 GeH+ Germaniun monohyrdide cation geh+  
119 CH2- methylene anion ch2-  
120 CH2+ methylene cation ch2+  
121 SiH2 silicon dihydride sih2  
122 SiH2- silicon dihydride anion sih2-  
123 SiH2+ silicon dihydride cation sih2+  
124 GeH2 germylene geh2  
125 GeH2- germylene anion geh2-  
126 CH3- methyl anion ch3-  
127 CH3+ methyl cation ch3+  
128 SiH3 Silyl radical sih3  
129 SiH3- Silyl anion sih3-  
130 SiH3+ Silyl cation sih3+  
131 GeH3 Germyl radical geh3  
132 GeH3+ germyl cation geh3+  
133 CD4 methane-d4 cd4  
134 CH2D2 methane-d2 ch2d2  
135 CH3D methane-d ch3d  
136 CH4- Methane anion ch4-  
137 CH4+ Methane cation ch4+  
138 CHD3 methane-d3 chd3  
139 SiH2D2 silane-d2 sih2d2  
140 SiH4 Silane sih4  
141 SiH4+ Silane cation sih4+  
142 GeH4 Germane geh4  
143 SnH4 Stannane snh4  
144 SiH5+ Silane, protonated sih5+  
145 N Nitrogen atom n  
146 N- Nitrogen atom anion n-  
147 N+ Nitrogen atom cation n+  
148 P Phosphorus atom p  
149 P- Phosphorus atom anion p-  
150 P+ Phosphorus atom cation p+  
151 V Vanadium atom v  
152 V+ Vanadium atom cation v+  
153 As Arsenic atomic as  
154 As- Arsenic anion as-  
155 As+ Arsenic cation as+  
156 Sb Antimony atom sb  
157 NH- Imidogen anion nh-  
158 NH+ imidogen cation nh+  
159 PH phosphorus monohydride ph  
160 PH- phosphorus monohydride anion ph-  
161 PH+ phosphorus monohydride cation ph+  
162 AsH Arsenic monohydride ash  
163 AsH+ Arsenic monohydride cation ash+  
164 SbH Antimony monohydride sbh  
165 NH2- amino anion nh2-  
166 NH2+ Amino cation nh2+  
167 PH2 Phosphino radical ph2  
168 PH2- Phosphino anion ph2-  
169 PH2+ Phosphino cation ph2+  
170 AsH2 Arsenic dihydride ash2  
171 AsH2+ Arsenic dihydride cation ash2+  
172 ND3 Ammonia-d3 nd3  
173 NH3- Ammonia anion nh3-  
174 NH3+ ammonia cation nh3+  
175 PH3 Phosphine ph3  
176 PH3+ Phosphine cation ph3+  
177 AsH3 Arsine ash3  
178 AsH3+ Arsine cation ash3+  
179 SbH3 Stibine sbh3  
180 AsH4+ Arsonium ash4+  
181 NH4 Ammonium radical nh4  
182 NH4+ ammonium cation nh4+  
183 PH4 Phosphoranyl radical ph4  
184 PH4+ phosphonium cation ph4+  
185 O- Oxygen atom anion o-  
186 O+ Oxygen atom cation o+  
187 S Sulfur atom s  
188 S- Sulfur atom anion s-  
189 S+ Sulfur atom cation s+  
190 Cr Chromium atom cr  
191 Se Selenium atom se  
192 Se- Selenium atom anion se-  
193 Se+ Selenium atom cation se+  
194 Te Tellurium atom te  
195 Te+ Tellurium atom cation te+  
196 DO Hydroxyl-d od  
197 OH- hydroxide anion oh-  
198 OH+ hydoxyl cation oh+  
199 DS Mercapto-d ds  
200 HS Mercapto radical hs  
201 HS- mercapto anion sh-  
202 HS+ sulfur monohydride cation sh+  
203 CrH Chromium hydride crh  
204 CrH+ Chromium hydride cation crh+  
205 HSe Selenium monohydride hse  
206 HSe- selenium monohydride anion hse-  
207 HSe+ selenium monohydride cation hse+  
208 TeH Telluryl radical teh  
209 H2O- water anion h2o-  
210 H2O+ water cation h2o+  
211 HDO Water-d1 hdo  
212 D2S Hydrogen sulfide-d2 d2s  
213 H2S Hydrogen sulfide h2s  
214 H2S- Hydrogen sulfide anion h2s-  
215 H2S+ Hydrogen sulfide cation h2s+  
216 H2Se Hydrogen selenide h2se  
217 H2Se+ Hydrogen selenide cation h2se+  
218 H2Te Hydrogen Telluride h2te  
219 H3O+ hydronium cation h3o+  
220 H3S+ Sulfonium cation h3s+  
221 H3Se+ Hydrogen Selenide, protonated h3se+  
222 F- Fluorine atom anion f-  
223 F+ Fluorine atom cation f+  
224 Cl Chlorine atom cl  
225 Cl- Chlorine atom anion cl-  
226 Cl+ Chlorine atom cation cl+  
227 Mn Manganese atom mn  
228 Br Bromine atom br  
229 Br- Bromine atom anion br-  
230 Br+ Bromine atom cation br+  
231 I Iodine atom iodine  
232 I- Iodine atom anion iodine-  
233 I+ Iodine atom cation iodine+  
234 DF Hydrofluoric acid-d df  
235 HF- hydrogen fluoride anion hf-  
236 HF+ hydrogen fluoride cation hf+  
237 DCl Hydrochloric acid-d dcl  
238 HCl Hydrogen chloride hcl  
239 HCl- hydrogen chloride anion hcl-  
240 HCl+ hydrogen chloride cation hcl+  
241 HBr hydrogen bromide hbr  
242 HBr- hydrogen bromide anion hbr-  
243 HBr+ hydrogen bromide cation hbr+  
244 HI Hydrogen iodide hi  
245 HI+ Hydrogen iodide cation hi+  
246 H2F+ dihydrogen fluoride cation h2f+  
247 H2Cl+ dihydrogen monochloride cation h2cl+  
248 H2Br+ protonated hydrogen bromide h2br+  
249 H2I+ Iodonium h2i+  
250 Ne Neon atom ne  
251 Ne- Neon atom anion ne-  
252 Ne+ Neon atom cation ne+  
253 Ar Argon atom ar  
254 Ar- Argon atom anion ar-  
255 Ar+ Argon atom cation ar+  
256 Fe Iron atom fe  
257 Kr Krypton atom kr  
258 Kr+ Krypton cation kr+  
259 Xe Xenon atom xe  
260 HeLi+ Helium Lithium cation heli+  
261 NeH neon hydrogen neh  
262 NeH+ neon hydrogen cation neh+  
263 ArH+ Argon hydride cation arh+  
264 KrH+ Protonated Krypton krh+  
265 XeH+ Xenon, protonated xeh+  
266 H2Ar H2 Ar dimer h2ar  
267 Co Cobalt atom cobalt  
268 Ni Nickel atom ni  
269 Li2 Lithium diatomic li2  
270 Li2- lithium diatomic anion li2-  
271 Li2+ lithium diatomic cation li2+  
272 NaLi lithium sodium lina  
273 NaLi- lithium sodium anion lina-  
274 NaLi+ lithium sodium cation lina+  
275 LiK Lithium Potassium lik  
276 Na2 Sodium diatomic na2  
277 Na2- sodium diatomic anion na2-  
278 Na2+ sodium diatomic cation na2+  
279 NaK Sodium Potassium nak  
280 NaK+ Sodium Potassium diatomic cation nak+  
281 K2 Potassium diatomic k2  
282 Cu2 Copper diatomic cu2  
283 LiBe Lithium Beryllium libe  
284 LiMg Lithium magnesium limg  
285 NaBe Sodium Beryllium nabe  
286 NaMg Sodium Magnesium namg  
287 Be2 Beryllium diatomic be2  
288 Be2- Beryllium diatomic anion be2-  
289 Be2+ Beryllium diatomic cation be2+  
290 BeMg Beryllium Magnesium bemg  
291 Mg2 Magnesium diatomic mg2  
292 Mg2- magnesium diatomic anion mg2-  
293 Mg2+ magnesium diatomic cation mg2+  
294 Ca2 Calcium diatomic ca2  
295 LiB Lithium boride lib  
296 LiAl Lithium Aluminum lial  
297 NaAl Sodium aluminum naal  
298 BeB Beryllium monoboride beb  
299 B2 Boron diatomic b2  
300 B2- Boron diatomic anion b2-  
301 B2+ Boron diatomic cation b2+  
302 BAl Boron Aluminum bal  
303 Al2 Aluminum diatomic al2  
304 Al2- aluminum diatomic anion al2-  
305 Al2+ aluminum diatomic cation al2+  
306 BGa Boron Gallium bga  
307 AlGa Aluminum Gallium alga  
308 Ga2 Gallium diatomic ga2  
309 HBBH Diborane(2) hbbh  
310 LiBH4 Lithium borohydride libh4  
311 B2H4 Diborane(4) D2d b2h4  
312 HBHHBH Diborane(4) C2V hbhhbh  
313 B2H6+ Diborane cation b2h6  
314 Al2H6 dialane al2h6  
315 Ga2H6 digallane ga2h6  
316 LiC Lithium Carbide lic  
317 BeC Beryllium Carbide bec  
318 CaC Calcium monocarbide cac  
319 BC boron monocarbide bc  
320 BC- boron monocarbide anion bc-  
321 BC+ boron monocarbide cation bc+  
322 AlC Aluminum carbide alc  
323 BSi Boron silicide bsi  
324 C2- carbon diatomic anion c2-  
325 C2+ carbon diatomic cation c2+  
326 SiC silicon monocarbide sic  
327 SiC- silicon monocarbide anion sic-  
328 SiC+ silicon monocarbide cation sic+  
329 Si2 Silicon diatomic si2  
330 Si2- silcon diatomic anion si2-  
331 Si2+ silcon diatomic cation si2+  
332 GeC Germanium monocarbide gec  
333 SiGe Silicon Germanium sige  
334 Ge2 Germanium diatomic ge2  
335 C2H- Ethynyl anion c2h-  
336 C2H+ Ethynyl cation c2h+  
337 ZnCH2 Zinc methylene znch2  
338 C2H2+ acetylene cation c2h2+  
339 CCH2 vinylidene vinylidene  
340 H2CC- vinylidene anion h2cc-  
341 HCCH- acetylene anion c2h2-  
342 Si2H2 disilyne si2h2  
343 CH3Li methyl lithium ch3li  
344 CuCH3 monomethyl copper cuch3  
345 ZnCH3 Zinc monomethyl znch3  
346 CH2BH methyleneborane ch2bh  
347 C2H3- vinyl anion c2h3-  
348 C2H3+ vinyl cation c2h3+  
349 C2H4- Ethylene anion c2h4-  
350 C2H4+ Ethylene cation c2h4+  
351 CH3CH methylmethylene ch3ch  
352 CH2SiH2 silaethylene ch2sih2  
353 Si2H4 Disilene si2h4  
354 CH3BH2 methylborane ch3bh2  
355 C2H5- Ethyl anion c2h5-  
356 C2H5+ Ethyl cation c2h5+  
357 C2H6+ ethane cation c2h6+  
358 CH3SiH3 methyl silane ch3sih3  
359 Si2H6 disilane si2h6  
360 GeH3CH3 methyl germane geh3ch3  
361 C2H7+ Ethane, protonated c2h7+  
362 LiN Lithium Nitride lin  
363 LiN+ Lithium Nitride cation lin+  
364 LiP Lithium monophosphide lip  
365 BeN Beryllium mononitride ben  
366 BeN- Beryllium mononitride anion ben-  
367 BeN+ Beryllium mononitride cation ben+  
368 MgN Magnesium Nitride mgn  
369 BN- boron nitride anion bn-  
370 AlN- aluminum mononitride anion aln-  
371 AlN+ aluminum mononitride cation aln+  
372 BP Boron monophosphide bp  
373 AlP Aluminum monophosphide alp  
374 GaN Gallium mononitride gan  
375 GaP Gallium monophosphide gap  
376 GaAs Gallium arsenide gaas  
377 BN boron nitride bn  
378 BN+ boron nitride cation bn+  
379 AlN Aluminum nitride aln  
380 CN- cyanide anion cn-  
381 CN+ Cyano cation cn+  
382 CP Carbon monophosphide cp  
383 CP- carbon monophosphide anion cp-  
384 CP+ carbon monophosphide cation cp+  
385 SiN Silicon nitride sin  
386 SiN- silicon mononitride anion sin-  
387 SiN+ silicon mononitride cation sin+  
388 SiP Silicon monophosphide sip  
389 SiP- Silicon monophosphide anion sip-  
390 SiP+ Silicon monophosphide cation sip+  
391 TiN Titanium mononitride tin  
392 N2- nitrogen diatomic anion n2-  
393 N2+ diatomic nitrogen cation n2+  
394 PN Phosphorus mononitride pn  
395 PN- phosphorus nitride anion pn-  
396 PN+ phosphorus nitride cation pn+  
397 P2 Phosphorus diatomic p2  
398 P2- phosphorus diatomic anion p2-  
399 P2+ phosphorus diatomic cation p2+  
400 AsN Arsenic mononitride asn  
401 AsP Arsenic monophosphide asp  
402 SbN Antimony nitride sbn  
403 As2 Arsenic diatomic as2  
404 HNB hydrogen nitrogen boron hnb  
405 HNC hydrogen isocyanide hnc  
406 HCN- Hydrogen cyanide anion hcn-  
407 HCN+ hydrogen cyanide cation hcn+  
408 HNC+ hydrogen isocyanide cation hnc+  
409 HCP Phosphaethyne hcp  
410 HCP+ Phosphaethyne cation hcp+  
411 NNH Dinitrogen monohydride nnh  
412 NNH+ Dinitrogen monohydride cation nnh+  
413 HPO Hydrogen phosphorus oxide hpo  
414 HPO+ Hydrogen phosphorus oxide cation hpo+  
415 LiNH2 lithium amide linh2  
416 HBNH Boranimine hbnh  
417 CNH2 Aminomethylidyne radical cnh2  
418 CNH2+ N-protonated hydrogen isocyanide cnh2+  
419 H2CN Dihydrogen cyanide radical h2cn  
420 H2CN+ hydrocyanonium cation h2cn+  
421 HCNH methyleneazane hcnh  
422 HCNH+ N-protonated HCN hcnh+  
423 H2NN Isodiazene h2nn  
424 N2H2 (E)-diazene n2h2  
425 N2H2 (Z)-Diazene n2h2z  
426 N2H2+ trans-diazene cation n2h2+  
427 CH2NH+ Methanimine cation ch2nh+  
428 CHNH2 aminomethylene chnh2  
429 CHNH2+ Aminocarbene cation chnh2+  
430 CH2PH Phosphaethene ch3p  
431 BH2NH2 Boranamine bh2nh2  
432 CH2NH2+ methyleneamine cation ch2nh2+  
433 N2H4+ hydrazine cation n2h4+  
434 P2H4 Diphosphine p2h4  
435 CH3NH2+ methyl amine cation ch3nh2+  
436 CH3PH2 Methyl phosphine ch3ph2  
437 SiH3NH2 Silane, amino sih3nh2  
438 N2H5+ protonated hydrazine n2h5+  
439 BH3PH3 borane phosphine bh3ph3  
440 BH3NH3 borane ammonia bh3nh3  
441 CH3NH3 methyl ammonium radical ch3nh3  
442 CH3NH3+ protonated methylamine ch3nh3+  
443 CH3PH3+ methyl phosphine, protonated ch3ph3+  
444 NH3NH3 Ammonia Dimer nh3nh3  
445 N2H7+ ammonia ammonium dimer n2h7+  
446 LiO lithium oxide lio  
447 LiO- lithium oxide anion lio-  
448 LiO+ lithium oxide cation lio+  
449 LiS Lithium monosulfide lis  
450 LiS+ Lithium sulfide cation lis+  
451 NaO sodium monoxide nao  
452 NaO- sodium oxide anion nao-  
453 NaO+ sodium oxide cation nao+  
454 KO Potassium monoxide ko  
455 KO+ Potassium monoxide cation ko+  
456 NaS Sodium sulfide nas  
457 CuO Copper Monoxide cuo  
458 LiSe Lithium monoselenide lise  
459 BeO beryllium oxide beo  
460 BeO- Beryllium monoxide anion beo-  
461 BeO+ Beryllium monoxide cation beo+  
462 BeS beryllium sulfide bes  
463 MgO magnesium oxide mgo  
464 MgO- magnesium oxide anion mgo-  
465 MgO+ magnesium oxide cation mgo+  
466 CaO Calcium monoxide cao  
467 MgS magnesium sulfide mgs  
468 MgS- magnesium sulfide anion mgs-  
469 MgS+ magnesium sulfide cation mgs+  
470 CaS Calcium sulfide cas  
471 ZnO zinc monoxide zno  
472 ZnS Zinc sulfide zns  
473 BeS- Beryllium monosulfide anion bes-  
474 BeS+ Beryllium monosulfide cation bes+  
475 BO- boron monoxide anion bo-  
476 AlO Aluminum monoxide alo  
477 AlO- Aluminum monoxide anion alo-  
478 AlO+ aluminum monoxide cation alo+  
479 BS boron sulfide bs  
480 BS- boron monosulfide anion bs-  
481 BS+ boron monosulfide cation bs+  
482 AlS Aluminum sulfide als  
483 AlS- aluminum monosulfide anion als-  
484 AlS+ aluminum monosulfide cation als+  
485 ScO Scandium monoxide sco  
486 GaO Gallium monoxide gao  
487 GaS Gallium monosulfide gas  
488 BO+ boron monoxide cation bo+  
489 CO- carbon monoxide anion co-  
490 CO+ carbon monoxide cation co+  
491 CS carbon monosulfide cs  
492 CS- carbon monosulfide anion cs-  
493 CS+ carbon monosulfide cation cs+  
494 SiO Silicon monoxide sio  
495 SiO- silicon monoxide anion sio-  
496 SiO+ silicon monoxide cation sio+  
497 SiS silicon monosulfide sis  
498 SiS- silicon monosulfide anion sis-  
499 SiS+ silicon monosulfide cation sis+  
500 TiO Titanium monoxide tio  
501 CSe Carbon monoselenide cse  
502 CSe- Carbon monoselenide anion cse-  
503 CSe+ Carbon monoselenide cation cse+  
504 GeO Germanium monoxide geo  
505 GeO+ Germanium monoxide cation geo+  
506 GeS Germanium monosulfide ges  
507 SiSe Silicon Monoselenide sise  
508 SiSe+ Silicon Monoselenide cation sise+  
509 GeSe Germanium monoselenide gese  
510 NO- nitric oxide anion no-  
511 NO+ nitric oxide cation no+  
512 NS Mononitrogen monosulfide ns  
513 NS- nitrogen sulfide anion ns-  
514 NS+ nitrogen sulfide cation ns+  
515 PO Phosphorus monoxide po  
516 PO- phosphorus monoxide anion po-  
517 PO+ phosphorus monoxide cation po+  
518 PS phosphorus sulfide ps  
519 PS- phosphorus monosulfide anion ps-  
520 PS+ phosphorus monosulfide cation ps+  
521 VO Vanadium monoxide vo  
522 AsO Arsenic monoxide aso  
523 NSe Nitrogen monoselenide nse  
524 AsS Arsenic monosulfide ass  
525 PSe Phosphorus monoselenide pse  
526 AsSe Arsenic monoselenide asse  
527 O2- oxygen diatomic anion o2-  
528 O2-- dioxygen dianion o2--  
529 O2+ diatomic oxygen cation o2+  
530 SO Sulfur monoxide so  
531 SO- sulfur monoxide anion so-  
532 SO+ sulfur monoxide cation so+  
533 S2 Sulfur diatomic s2  
534 S2- sulfur diatomic anion s2-  
535 S2+ sulfur diatomic cation s2+  
536 SeO Selenium monoxide seo  
537 SeO- selenium monoxide anion seo-  
538 SeO+ selenium monoxide cation seo+  
539 SeS Selenium monosulfide ses  
540 SeS- selenium monosulfide anion ses-  
541 SeS+ selenium monosulfide cation ses+  
542 TeO Tellurium monoxide teo  
543 Se2 Selenium diatomic se2  
544 Se2- selenium diatomic anion se2-  
545 Se2+ selenium diatomic cation se2+  
546 Te2 Tellurium diatomic te2  
547 LiOH lithium hydroxide lioh  
548 NaOH sodium hydroxide naoh  
549 KOH Potassium hydroxide koh  
550 BeOH beryllium monohydroxide beoh  
551 MgOH magnesium hydroxide mgoh  
552 CaOH Calcium monohydroxide caoh  
553 HBS hydrogen boron sulfide hbs  
554 COH Hydroxymethylidyne coh  
555 COH+ Carbon Monoxide, protonated coh+  
556 HCO- formyl anion hco-  
557 HCO+ Formyl cation hco+  
558 HCS Thioformyl radical hcs  
559 HCS- Thioformyl anion hcs-  
560 HCS+ Thioformyl cation hcs+  
561 HNO- Nitrosyl hydride anion hno-  
562 HNO+ Nitrosyl hydride cation hno+  
563 NOH Hydroxyimidogen noh  
564 NOH+ O-protonated nitric oxide noh+  
565 HNS Sulfur imide hns  
566 HNS- Sulfur imide anion hns-  
567 HO2- Hydroperoxy anion ho2-  
568 HO2+ Hydroperoxy cation ho2+  
569 HSO+ Sulfur Monoxide, S-protonated HSO+  
570 SOH Sulfur Hydroxide soh  
571 SOH+ Sulfur Monoxide, protonated soh+  
572 HS2 Thiosulfeno radical hs2  
573 H2CO- formaldehyde anion h2co-  
574 H2CO+ formaldehyde cation h2co+  
575 HOCH hydroxycarbene hoch  
576 H2CS Thioformaldehyde h2cs  
577 H2CS- thioformaldehyde anion h2cs-  
578 H2CS+ thioformaldehyde cation h2cs+  
579 H2CSe Selenoformaldehyde h2cse  
580 H2NO nitroxide h2no  
581 H2O2+ Hydrogen peroxide cation h2o2+  
582 H2OO water oxide h2oo  
583 HOSH hydrogen thioperoxide hosh  
584 H2S2 Disulfane h2s2  
585 H2S2+ hydrogen disulfide cation h2s2+  
586 H2Se2 hydrogen diselenide h2se2  
587 CH2OH+ hydroxymethyl cation ch2oh+  
588 CH3O- methoxy anion ch3o-  
589 CH3O+ Methoxy cation ch3o+  
590 CH3S thiomethoxy ch3s  
591 H2CSH+ Thioformaldehyde, protonated h2csh+  
592 NH2OH+ Hydroxylamine cation nh2oh+  
593 NH3O Ammonia Oxide nh3o  
594 H2POH Phosphinous acid h2poh  
595 H3PO Phosphine oxide h3po  
596 NH2SH Thiohydroxylamine nh2sh  
597 NH3S sulfidoazane nh3s  
598 H3O2+ hydrogen peroxide, protonated h3o2+  
599 CH3OH- Methyl alcohol anion ch3oh-  
600 CH3OH+ Methyl alcohol cation ch3oh+  
601 CH3SH Methanethiol ch3sh  
602 CH3SH+ Methanethiol cation ch3sh+  
603 SiH3OH silanol sih3oh  
604 CH3SeH Methane selenol ch3seh  
605 NH2OH2+ protonated hydroxylamine nh2oh2+  
606 NH3OH+ N-protonated hydroxylamine nh3oh+  
607 H2OH2O water dimer h2oh2o  
608 CH3OH2+ Methanol, protonated ch3oh2+  
609 CH3SH2+ protonated methylsulfide ch3sh2+  
610 H2ONH3 Water Ammonia Dimer h2onh3  
611 H5O2+ Dihydroxonium ion h5o2+  
612 LiF lithium fluoride lif  
613 LiCl lithium chloride licl  
614 LiCl- lithium chloride anion licl-  
615 LiCl+ lithium chloride cation licl+  
616 NaF sodium fluoride naf  
617 NaF- sodium fluoride anion naf-  
618 NaF+ sodium fluoride cation naf+  
619 KF Potassium Fluoride kf  
620 NaCl Sodium Chloride nacl  
621 NaCl- sodium chloride anion nacl-  
622 NaCl+ sodium chloride cation nacl+  
623 KCl Potassium Chloride kcl  
624 CuF Copper monofluoride cuf  
625 LiBr Lithium Bromide libr  
626 LiBr- lithium bromide anion libr-  
627 LiBr+ lithium bromide cation libr+  
628 CuCl Copper monochloride cucl  
629 NaBr Sodium Bromide nabr  
630 NaBr- sodium bromide anion nabr-  
631 NaBr+ sodium bromide cation nabr+  
632 KBr Potassium Bromide kbr  
633 LiI Lithium Iodide lii  
634 NaI Sodium Iodide nai  
635 KI Potassium Iodide ki  
636 LiF- lithium fluoride anion lif-  
637 LiF+ lithium fluoride cation lif+  
638 BeF Beryllium monofluoride bef  
639 BeF- Beryllium monofluoride anion bef-  
640 BeF+ Beryllium monofluoride cation bef+  
641 BeCl beryllium monochloride becl  
642 MgF Magnesium monofluoride mgf  
643 MgF- magnesium fluoride anion mgf-  
644 MgF+ magnesium fluoride cation mgf+  
645 CaF Calcium monofluoride caf  
646 MgCl magnesium monochloride mgcl  
647 MgCl- magnesium monochloride anion mgcl-  
648 MgCl+ magnesium monochloride cation mgcl+  
649 CaCl calcium monochloride cacl  
650 TiCl Titanium Monochloride ticl  
651 ZnF Zinc monofluoride znf  
652 ZnF- Zinc monofluoride anion znf-  
653 ZnF+ Zinc monofluoride cation znf+  
654 ZnCl Zinc monochloride zncl  
655 CaBr Calcium monobromide cabr  
656 BeCl- beryllium monochloride anion becl-  
657 BeCl+ beryllium monochloride cation becl+  
658 BF- Boron monofluoride anion bf-  
659 BF+ Boron monofluoride cation bf+  
660 AlF Aluminum monofluoride alf  
661 AlF- Aluminum monofluoride anion alf-  
662 AlF+ Aluminum monofluoride cation alf+  
663 BCl boron monochloride bcl  
664 BCl- boron monochloride anion bcl-  
665 BCl+ boron monochloride cation bcl+  
666 AlCl Aluminum monochloride alcl  
667 AlCl- aluminum monochloride anion alcl-  
668 AlCl+ aluminum monochloride cation alcl+  
669 ScF Scandium monofluoride scf  
670 BBr Boron monobromide bbr  
671 GaF Gallium monofluoride gaf  
672 GaF+ Gallium monofluoride cation gaf+  
673 AlBr Aluminum monobromide albr  
674 GaCl Gallium monochloride gacl  
675 GaCl+ Gallium monochloride cation gacl+  
676 AlI Aluminum monoiodide ali  
677 GaBr Gallium monobromide gabr  
678 CF- carbon monofluoride anion cf-  
679 CF+ carbon monofluoride cation cf+  
680 CCl carbon monochloride ccl  
681 CCl- carbon monochloride anion ccl-  
682 CCl+ carbon monochloride cation ccl+  
683 SiF silicon monofluoride sif  
684 SiF- silicon monofluoride anion sif-  
685 SiF+ silicon monofluoride cation sif+  
686 SiCl Clorosilylidyne sicl  
687 SiCl- silicon monochloride anion sicl-  
688 SiCl+ silicon monochloride cation sicl+  
689 CBr Carbon monobromide cbr  
690 GeF Germanium monofluoride gef  
691 GeF+ Germanium monofluoride cation gef+  
692 GeCl Germanium monochloride gecl  
693 GeCl+ Germanium monochloride cation gecl+  
694 SiBr Silicon monobromide sibr  
695 SiBr+ Silicon monobromide cation sibr+  
696 NF- nitrogen monofluorine anion nf-  
697 NF+ nitrogen monofluoirde cation nf+  
698 NCl nitrogen monochloride ncl  
699 NCl- nitrogen monochloride anion ncl-  
700 NCl+ nitrogen monochloride cation ncl+  
701 PF phosphorus monofluoride pf  
702 PF- phosphorus monofluoride anion pf-  
703 PF+ phosphorus monofluoride cation pf+  
704 PCl phosphorus chloride pcl  
705 PCl- phosphorus monochloride anion pcl-  
706 PCl+ phosphorus monochloride cation pcl+  
707 AsF Arsenic monofluoride asf  
708 NBr nitrogen monobromide nbr  
709 AsCl Arsenic monochloride ascl  
710 PBr Phosphorus monobromide pbr  
711 SbF Antimony monofluoride sbf  
712 SbCl Antimony monochloride sbcl  
713 FO- flourine oxide anion fo-  
714 FO+ fluorine monoxide cation fo+  
715 ClO Monochlorine monoxide clo  
716 ClO- chlorine monoxide anion clo-  
717 ClO+ chlorine monoxide cation clo+  
718 SF Monosulfur monofluoride sf  
719 SF- sulfur monofluoride anion sf-  
720 SF+ sulfur monofluoride cation sf+  
721 SCl sulfur monochloride scl  
722 SCl- sulfur monochloride anion scl-  
723 SCl+ sulfur monochloride cation scl+  
724 BrO Bromine monoxide bro  
725 BrO- Bromine monoxide anion bro-  
726 BrO+ Bromine monoxide cation bro+  
727 SeF Selenium monofluoride sef  
728 SBr Sulfur monobromide radical sbr  
729 SBr+ Sulfur monobromide cation sbr+  
730 SeCl Selenium monochloride secl  
731 IO Iodine monoxide io  
732 SeBr Selenium monobromide sebr  
733 BrCl Bromine monochloride brcl  
734 F2- flourine diatomic anion f2-  
735 F2+ flourine diatomic cation f2+  
736 ClF Chlorine monofluoride clf  
737 ClF- clorine monofluoride anion clf-  
738 ClF+ clorine monofluoride cation clf+  
739 Cl2 Chlorine diatomic cl2  
740 Cl2- chlorine diatomic anion cl2-  
741 Cl2+ chlorine diatomic cation cl2+  
742 BrF Bromine monofluoride brf  
743 BrF- bromine fluoride anion brf-  
744 BrF+ bromine fluoride cation brf+  
745 BrCl- bromine chloride anion brcl-  
746 BrCl+ bromine chloride cation brcl+  
747 IF Iodine monofluoride if  
748 Br2 Bromine diatomic br2  
749 Br2- bromine diatomic anion br2-  
750 Br2+ bromine diatomic cation br2+  
751 ICl Iodine monochloride icl  
752 IBr Iodine monobromide ibr  
753 I2 Iodine diatomic i2  
754 I2+ Iodine diatomic cation i2+  
755 HCCl Chloromethylene hccl  
756 HSiF fluorosilylene hsif  
757 HSiCl Chlorosilylene hsicl  
758 HSiBr monobromosilylene hsibr  
759 CHBr bromomethylene chbr  
760 DOCl Hypochlorous acid-d docl  
761 HOCl hypochlorous acid hocl  
762 HOCl+ hypochlorous acid cation hocl+  
763 HOBr Hypobromous acid hobr  
764 HOBr+ Hypobromous acid cation hobr+  
765 HOI Hypoiodous acid hoi  
766 F2H+ Fluorine, protonated f2h+  
767 FHF Hydrogen difluoride fhf  
768 FHF- Hydrogen difluoride anion fhf-  
769 ClFH+ Chlorine fluoride, F-protonated clfh+  
770 FClH+ Chlorine fluoride, Cl-protonated fclh+  
771 Cl2H+ Chlorine, protonated cl2h+  
772 CH2Br bromomethyl radical ch2br  
773 CH2F fluoromethyl radical ch2f  
774 CH2F+ fluoromethyl cation ch2f+  
775 CH2Cl+ chloromethyl cation ch2cl+  
776 CH2Cl chloromethyl radical ch2cl  
777 NH2F monofluoroamine nh2f  
778 NH2Cl chloramine nh2cl  
779 CH3F+ methyl fluoride cation ch3f+  
780 CD3F methylfluoride-d3 cd3f  
781 CD3Cl methyl chloride d3 cd3cl  
782 CH3Cl Methyl chloride ch3cl  
783 CH3Cl+ Methyl chloride cation ch3cl+  
784 SiH3F monofluorosilane sih3f  
785 SiH3Cl chlorosilane sih3cl  
786 CH3Br methyl bromide ch3br  
787 GeH3F monofluorogermane geh3f  
788 GeH3Cl monochlorogermane geh3cl  
789 SiH3Br bromosilane sih3br  
790 CH3I methyl iodide ch3i  
791 SiH3I Silyl Iodide sih3i  
792 NH3Cl+ protonated monochloroammonia nh3cl+  
793 CH3ClH+ methyl chloride, protonated ch3clh+  
794 NH4Cl Ammonium chloride nh4cl  
795 LiNe+ Lithium Neon cation line+  
796 Ne2 Neon diatomic ne2  
797 Ne2+ Neon diatomic cation ne2+  
798 Ar2 Argon diatomic ar2  
799 Ar2+ Argon diatomic cation ar2+  
800 Li3 Lithium trimer li3  
801 Li3+ Lithium trimer cation li3+  
802 C3 carbon trimer c3  
803 C3+ carbon trimer cation c3+  
804 SiC2 Silicon dicarbide sic2  
805 C3H3 cyclopropenyl radical cpr  
806 C3H3- Propargyl anion c3h3-  
807 C3H3+ cyclopropenyl cation cpr+  
808 C3H3+ Propargyl cation c3h3+  
809 C3H4 cyclopropene cprop  
810 C3H5 Allyl radical allyl  
811 C3H5+ Allyl cation allyl+  
812 CH3CHCH 1-propenyl radical ch3chch  
813 Zn(CH3)2 dimethyl zinc dmz  
814 C3H7+ cyclopropane, protonated c3h7+  
815 CH3CHCH3 Isopropyl radical isopropyl  
816 CH3CHCH3+ Isopropyl cation prop2yl+  
817 SiH2(CH3)2 dimethylsilane dms  
818 Si3H8 trisilane si3h8  
819 LiCN lithium cyanide licn  
820 NaCN Sodium Cyanide nacn  
821 KCN Potassium cyanide kcn  
822 CuCN Copper cyanide cucn  
823 ZnCN Zinc monocyanide zncn  
824 ZnNC Zinc isocyanide znnc  
825 AlCN Aluminum monocyanide alcn  
826 AlNC Aluminum isocyanide alnc  
827 CN2 3H-Diazirin-3-ylidene cn2  
828 CNN Diazocarbene cnn  
829 NCN Cyanoimidogen ncn  
830 N3 azide radical n3  
831 N3- azide anion n3-  
832 N3+ azide cation n3+  
833 HCCN cyanomethylene hccn  
834 HCNN diazomethyl radical hcnn  
835 HN3 hydrogen azide hn3  
836 HN3+ Hydrazoic acid cation hn3+  
837 HNCNH diiminomethane hncnh  
838 CH2N2 diazirine ch2n2  
839 CH2NN diazomethane ch2nn  
840 NH2CN cyanamide cyanamide  
841 HNNNH+ 1,2-Triazadienium n2h3+  
842 NH2NN+ hydrazoic acid, protonated nh2nn+  
843 CH3CN- acetonitrile anion ch3cn-  
844 CH3CN+ Acetonitrile cation ch3cn+  
845 CH3NC methyl isocyanide ch3nc  
846 CHNCH2 2H-Azirine c157164  
847 CHNHCH 1H-Azirine chnhch  
848 H2CCNH Ethenimine ch2cnh  
849 H2CNCH methyleneaminomethylene ch2nch  
850 HCCNH2 Ethynamine hccnh2  
851 HCNCH2+ 2H-Azirine cation hcnch2+  
852 HNCNH2+ diiminomethane, protonated hncnh2+  
853 NCNH3+ Cyanamide, protonated ncnh3+  
854 NH2CNH+ cyanamide, cn protonated nh2cnh+  
855 NH3CN+ cyanamide, amine protonated nh3cn+  
856 CH2CHNH vinylazine ch2chnh  
857 CH3CHN methylmethaniminyl radical ch3chn  
858 NHCHNH2 aminomethanimine cn2h4  
859 CH2CHNH2 aminoethene aminoethene  
860 CH2NCH3 N-methylmethanimine nmm  
861 CH3CHNH ethanimine ethanimine  
862 NH2BHNH2 diaminoborane nh2bhnh2  
863 C2H5NH+ Protonated Aziridine c2h5nh+  
864 C2H6N+ aziridine, protonated c2h6n+  
865 NH2CH2NH2 diaminomethane nh2ch2nh2  
866 CH3PHCH3 dimethylphosphine ch3phch3  
867 NH2CH2NH3+ diaminoethane, protonated pdam  
868 (CH3)2NH2+ dimethylammonium cation dmam  
869 CH3CH2NH3+ ethylamine, protonated pea  
870 Li2O dilithium oxide li2o  
871 Li2O+ dilithium oxide cation li2o+  
872 Li2S dilithium sulfide li2s  
873 Na2O disodium monoxide na2o  
874 Na2S Sodium sulfide na2s  
875 LiO2 Lithium dioxide lio2  
876 NaO2 Sodium superoxide nao2  
877 CCO Dicarbon monoxide cco  
878 CNO- fulminate cno-  
879 NCO isocyanato radical nco  
880 NCO- cyanate nco-  
881 SCN thiocyanato radical scn  
882 SCN- thiocyanide anion scn-  
883 BO2- Boron dioxide anion bo2-  
884 BO2+ Boron dioxide cation bo2+  
885 N2O- Nitrous oxide anion n2o-  
886 N2O+ Nitrous oxide cation n2o+  
887 NNS Nitrogen sulfide nns  
888 PPO Phosphorus oxide phosphide ppo  
889 CO2- Carbon dioxide anion co2-  
890 CO2+ Carbon dioxide cation co2+  
891 OCS Carbonyl sulfide cos  
892 OCS+ Carbonyl sulfide cation cos+  
893 SiO2 silicon dioxide sio2  
894 CS2 Carbon disulfide cs2  
895 CS2- Carbon disulfide anion cs2-  
896 CS2+ Carbon disulfide cation cs2+  
897 TiO2 Titanium dioxide tio2  
898 SiS2 Silicon disulfide sis2  
899 GeO2 Germanium dioxide geo2  
900 OCSe Carbonyl selenide ocse  
901 SCSe Carbon sulfide selenide scse  
902 GeS2 Germanium disulfide ges2  
903 CSe2 Carbon diselenide cse2  
904 SCTe Carbon sulfide Telluride scte  
905 NO2- Nitrogen dioxide anion no2-  
906 NO2+ Nitrogen dioxide cation no2+  
907 NSO sulfinyl amidogen NSO  
908 PO2 Phosphorus dioxide po2  
909 PO2- Phosphorus dioxide anion po2-  
910 PO2+ Phosphorus dioxide cation po2+  
911 SNO Nitrogen oxide sulfide sno  
912 AsO2 Aresenic dioxide aso2  
913 O3- Ozone anion o3-  
914 O3+ Ozone cation o3+  
915 SO2 Sulfur dioxide so2  
916 SO2- Sulfur dioxide anion so2-  
917 SO2+ Sulfur dioxide cation so2+  
918 SSO Disulfur monoxide sso  
919 S3 Sulfur trimer s3  
920 S3- Sulfur trimer anion s3-  
921 S3+ Sulfur trimer cation s3+  
922 SeO2 Selenium dioxide seo2  
923 SeO2+ Selenium dioxide cation seo2+  
924 TeO2 Tellurium Dioxide teo2  
925 HCCO ketenyl radical ketenyl  
926 CS2H+ Carbon disulfide, protonated cs2h+  
927 HCNO fulminic acid hcno  
928 HOCN cyanic acid hocn  
929 HNCS Isothiocyanic acid hncs  
930 HSCN thiocyanic acid hscn  
931 HCO2- formate anion hco2-  
932 HNNO nitrosoazane hnno  
933 HNNO+ Nitrous oxide, N-protonated hnno+  
934 NNOH+ Nitrous Oxide, O-protonated nnoh+  
935 HCOO formate neutral radical hcoo  
936 HOCO Hydrocarboxyl radical hoco  
937 HOCO+ Hydrocarboxyl cation hoco+  
938 HNO2+ nitrous acid cation hno2+  
939 O3H+ protonated ozone o3h+  
940 SO2H+ protonated sulfur dioxide so2h+  
941 C2H2O Oxirene oxirene  
942 CH2CO+ Ketene cation ch2co+  
943 HCCOH ethynol hccoh  
944 CH2CS Thioketene ch2cs  
945 Be(OH)2 Beryllium hydroxide beo2h2  
946 Mg(OH)2 Magnesium dihydroxide h2mgo2  
947 NH2NO Nitrosamide nh2no  
948 CH2O2 Dioxirane diox  
949 H2COO Dioxymethyl radical h2coo  
950 H2COO+ dioxymethyl cation h2coo+  
951 H2O3 Hydrogen trioxide h2o3  
952 HSSSH trisulfane hsssh  
953 NaOCH3 Sodium methoxide naoch3  
954 CH2BOH hydroxy(methylene)borane ch2boh  
955 BH3CO Borane carbonyl bh3co  
956 CH3BO Borane, methyloxo- ch3bo  
957 CH2CHO Vinyloxy radical ch2cho  
958 CH2COH+ ketene, protonated ch2coh+  
959 CH3CO Acetyl radical ch3co  
960 CH3CO- Acetyl anion ch3co-  
961 CH3CO+ acetyl cation ch3co+  
962 CH2NOH formaldoxime ch2noh  
963 CH3NO nitrosomethane ch3no  
964 CHONH2 formamide formamide  
965 CNOH3 1,2-oxaziridine cnoh3  
966 HOCHNH hydroxymethylimine hochnh  
967 CHSNH2 thioformamide chsnh2  
968 NHCHSH Methanimidothioic acid nhchsh  
969 CH2OOH CH2OOH radical ch2ooh  
970 CH3OO methylperoxy radical ch3oo  
971 CH3OO- methylperoxy anion ch3oo-  
972 CH3OO+ methylperoxy cation ch3oo+  
973 C2H4O+ ethylene oxide cation c2h4o+  
974 CH2CHOH ethenol ch2choh  
975 CH3CHO+ acetaldehyde cation ch3cho+  
976 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
977 C2H4S Thiirane thiirane  
978 CH2CHSH Ethenethiol ch2chsh  
979 CH3CHS Thioacetaldehyde ch3chs  
980 H2CONH2+ protonated formamide h2conh2+  
981 NH2CHOH+ Formamide, O-protonated nh2choh+  
982 NH3CHO+ Formamide, N-Protonated nh3cho+  
983 CH2(OH)2 methanediol ch2o2h2  
984 CH3OOH Methyl peroxide ch3ooh  
985 CH3SSH Hydrogen methyl disulfide ch3ssh  
986 HSCH2SH Methanedithiol ch4s2  
987 H2OH2CO water formaldehyde dimer h2oh2co  
988 C2H4OH+ ethylene oxide, protonated c2h4oh+  
989 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
990 CH3CH2O Ethoxy radical ethoxy  
991 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
992 CH3CHOH+ acetaldehyde, protonated ch3choh+  
993 CH3OCH2 methoxymethyl radical ch3och2  
994 NH2CH2OH aminomethanol nh2ch2oh  
995 CH3CH2SH ethanethiol etsh  
996 CH3SCH3 Dimethyl sulfide mesme  
997 CH3SCH3+ dimethyl sulfide cation mesme+  
998 CH3SeCH3 dimethylselenide dmse  
999 CH3OHH2O methanol water dimer ch3ohh2o  
1000 H2OCH3OH water methanol dimer h2och3oh  
1001 CuF2 Copper difluoride cuf2  
1002 ZnF2 Zinc difluoride znf2  
1003 CNF iso cyanogen fluoride cnf  
1004 FCN Cyanogen fluoride fcn  
1005 ClCN chlorocyanogen clcn  
1006 BrCN Cyanogen bromide brcn  
1007 ICN Cyanogen iodide icn  
1008 FBO Boron monofluoride monoxide fbo  
1009 BeF2 Beryllium fluoride bef2  
1010 MgF2 Magnesium fluoride mgf2  
1011 BeCl2 Beryllium chloride becl2  
1012 MgCl2 Magnesium dichloride mgcl2  
1013 CaCl2 Calcium Chloride cacl2  
1014 ZnCl2 Zinc dichloride zncl2  
1015 BeBr2 Beryllium bromide bebr2  
1016 CaBr2 Calcium dibromide cabr2  
1017 CaF2 Calcium difluoride caf2  
1018 FCO Carbonyl fluoride fco  
1019 FCO+ Carbonyl fluoride cation fco+  
1020 ClCO carbonyl monochloride clco  
1021 BF2 Boron difluoride radical bf2  
1022 ClNO Nitrosyl chloride clno  
1023 FNS Thionitrosyl fluoride fns  
1024 FSN Thiazyl fluoride fsn  
1025 OPCl Phosphorus oxychloride opcl  
1026 BrNO Nitrosyl bromide brno  
1027 INO Nitrosyl iodide ino  
1028 CF2- Difluoromethylene anion cf2-  
1029 CF2+ Difluoromethylene cation cf2+  
1030 CFCl chlorofluoromethylene cfcl  
1031 SiF2 Silicon difluoride sif2  
1032 SiF2+ Silicon difluoride cation sif2+  
1033 CCl2 dichloromethylene ccl2  
1034 CCl2- dichloromethylene anion ccl2-  
1035 CCl2+ dichloromethylene cation ccl2+  
1036 SiCl2 Dichlorosilylene sicl2  
1037 GeF2 Germanium difluoride gef2  
1038 GeCl2 Germanium dichloride gecl2  
1039 CBr2 dibromomethylene cbr2  
1040 FOO+ Fluorine dioxide cation foo+  
1041 ClOO chloroperoxy radical cloo  
1042 ClOO+ chloroperoxy cation cloo+  
1043 OClO Chlorine dioxide oclo  
1044 OClO- Chlorine dioxide anion oclo-  
1045 OClO+ Chlorine dioxide cation oclo+  
1046 ClSO Sulfur chloride oxide clso  
1047 ClS2 Sulfur chloride cls2  
1048 BrOO Bromine dioxide broo  
1049 OBrO Bromine dioxide radical obro  
1050 NF2+ Difluoroamino cation nf2+  
1051 PF2 Phosphorus difluoride pf2  
1052 PF2+ Phosphorus difluoride cation pf2+  
1053 FClO chlorosyl fluoride fclo  
1054 ClOF Chlorine hypofluorite clof  
1055 SF2 sulfur difluoride sf2  
1056 SF2- sulfur difluoride anion sf2-  
1057 SF2+ sulfur difluoride cation sf2+  
1058 Cl2O Dichlorine monoxide cl2o  
1059 SCl2 Sulfur dichloride scl2  
1060 SeF2 Selenium difluoride sef2  
1061 BrOCl Bromine hypochlorite brocl  
1062 SeCl2 Selenium Dichloride secl2  
1063 SBr2 Sulfur dibromide sbr2  
1064 SeBr2 Selenium dibromide sebr2  
1065 BrOBr Bromine oxide brobr  
1066 F3- trifluoride anion f3-  
1067 Cl3- trichloride anion cl3-  
1068 Br3- tribromide anion br3-  
1069 I3- triiodide i3-  
1070 SFCl Sulfur chloride fluoride sfcl  
1071 HCCF Fluoroacetylene hccf  
1072 HCCF+ fluoroacetylene cation hccf+  
1073 HCCCl Chloroacetylene hcccl  
1074 HCCBr bromoacetylene hccbr  
1075 HFCO formyl fluoride hfco  
1076 HFCO+ formyl fluoride cation hfco+  
1077 COHCl Formyl chloride cohcl  
1078 COHBr Formyl bromide cohbr  
1079 BHCl2 Borane, dichloro- bhcl2  
1080 CHCl2 dichloromethyl radical chcl2  
1081 CHF2 difluoromethyl radical chf2  
1082 CHF2+ difluoromethyl cation chf2+  
1083 CHFCl Chlorofluoromethyl radical chfcl  
1084 CHFCl+ Chlorofluoromethyl cation chfcl+  
1085 CHCl2+ dichloromethyl cation chcl2+  
1086 CHBr2 dibromomethyl radical chbr2  
1087 HOClO Chlorous acid hoclo  
1088 NHF2 difluoramine nhf2  
1089 NHCl2 dichloroamine nhcl2  
1090 CH2FCl fluorochloromethane ch2fcl  
1091 SiH2F2 difluorosilane sih2f2  
1092 CH2Cl2 Methylene chloride ch2cl2  
1093 CH2BrF Methane, bromofluoro- ch2fbr  
1094 CH2BrCl Methane, bromochloro- ch2clbr  
1095 CH2FI fluoroiodomethane ch2fi  
1096 CH2Br2 dibromomethane ch2br2  
1097 CH2ClI chloroiodomethane ch2cli  
1098 CH2BrI bromoiodomethane ch2bri  
1099 CH2I2 Diiodomethane ch2i2  
1100 SiH2Cl2 dichlorosilane sih2cl2  
1101 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1102 CH2CHF+ fluoroethene cation ch2chf+  
1103 C2H3Cl Ethene, chloro- ch2chcl  
1104 C2H3Br vinyl bromide c2h3br  
1105 C2H3I Vinyl iodide c2h3i  
1106 CH2FOH fluoromethanol ch2foh  
1107 CH3OCl methyl hypochlorite ch3ocl  
1108 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1109 CHClCH3 1-chloroethyl radical chclch3  
1110 C2H5F fluoroethane c2h5f  
1111 CH3CH2Cl Ethyl chloride c2h5cl  
1112 CH3SiFH2 fluoromethylsilane ch3sifh2  
1113 C2H5Br Ethyl bromide etbr  
1114 C2H5I Ethyl iodide c2h5i  
1115 KrF2 Krypton difluoride krf2  
1116 XeF2 Xenon difluoride xef2  
1117 B4H10 Tetraborane(10) b4h10  
1118 C4 Carbon tetramer c4  
1119 C4+ Carbon tetramer cation c4+  
1120 C4H2 Diacetylene c4h2  
1121 C4H2+ diacetlyene cation c4h2+  
1122 C2H3CCH 1-Buten-3-yne c2h3cch  
1123 C4H4 cyclobutadiene cbd  
1124 C4H4 Tetrahedrane c4h4  
1125 H2CCCCH2 Butatriene h2cccch2  
1126 CHCCH2CH3 1-Butyne c107006  
1127 CH3CHCHCH2 methylallyl radical c4h7  
1128 C4H8 methylcyclopropane mcp  
1129 CH2CHCH2CH3 1-Butene bute1  
1130 B(CH3)3 trimethylborane bme3  
1131 Al(CH3)3 trimethyl aluminum tma  
1132 C(CH3)3 Tert-butyl radical tbutyl  
1133 CH2CH(CH3)2 Isobutyl radical isobutyl  
1134 CH3CHCH2CH3 2-Butyl radical butyl2  
1135 CH3CH(CH3)CH3 Isobutane isobutane  
1136 CH3CH2CH2CH3 Butane butane  
1137 SiH(CH3)3 trimethylsilane trimsi  
1138 Li3N trilithium nitride li3n  
1139 C2N2+ Cyanogen cation c2n2+  
1140 P4 Phosphorus tetramer p4  
1141 As4 Arsenic tetramer as4  
1142 HCCCN Cyanoacetylene hcccn  
1143 HCCCN+ Cyanoacetylene cation hcccn+  
1144 H2CNCN cyanamide, methylene ch2ncn  
1145 HNCCNH Ethenediimine hnccnh  
1146 C3H3N+ acrylonitrile cation ch2chcn+  
1147 CH3N3 methyl azide ch3n3  
1148 NH2CCNH2 Diaminoacetylene daa  
1149 NH2CH2CN Aminoacetonitrile aan  
1150 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1151 C2H5CN ethyl cyanide c2h5cn  
1152 CH5N3 Guanidine guanidine  
1153 C4H6 Bicyclo[1.1.0]butane c157335  
1154 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1155 H2NCHCHNH2 diaminoethylene dae  
1156 CH6N3+ guanidinium ch6n3+  
1157 CH7N3 triaminomethane tam  
1158 C3H7N Azetidine azet  
1159 C2H8N2 Ethylenediamine ethdiam  
1160 CH3NHNHCH3 dimethyl hydrazine dmh  
1161 CH3CH(NH2)CH3 2-Propanamine pram2  
1162 N(CH3)3 Trimethylamine trimeam  
1163 NH2CH2CH2CH3 1-Propanamine pram1  
1164 P(CH3)3 trimethylphosphine tmp  
1165 N(SiH3)3 trisilylamine tsa  
1166 As(CH3)3 trimethyl arsine tmas  
1167 (CH3)3NH+ protonated trimethyl amine ptma  
1168 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1169 Li2O2 dilithium dioxide li2o2  
1170 Na2O2 disodium dioxide na2o2  
1171 K2O2 dipotassium dioxide k2o2  
1172 C3O Tricarbon monoxide c3o  
1173 ONNO NO dimer onno  
1174 S2N2 Disulfur dinitride s2n2  
1175 CO3 Carbon trioxide co3  
1176 CO3-- carbonate co3--  
1177 CS3-- Carbonotrithioate cs3--  
1178 NO3 Nitrogen trioxide no3  
1179 NO3- nitrate anion no3-  
1180 NO3+ nitrogen trioxide cation no3+  
1181 SO3 Sulfur trioxide so3  
1182 SO3- Sulfur trioxide anion so3-  
1183 SO3-- Sulfate dianion so3--  
1184 SO3+ Sulfur trioxide cation so3+  
1185 SeO3 selenium trioxide seo3  
1186 S4 Sulfur tetramer s4  
1187 TeO3 Tellurium trioxide teo3  
1188 HCO3- bicarbonate anion hco3-  
1189 HSO3 Hydroxysulfonyl radical hso3  
1190 NH2NO2 nitramide nh2no2  
1191 C2H2CO cyclopropenone c2h2co  
1192 C3H2O Propadienal c3h2o  
1193 HCCCHO 2-propynal hcccho  
1194 C2H2O2+ Ethanedial cation c2h2o2+  
1195 H2CO3 Carbonic acid h2co3  
1196 H2CS3 thiocarbonic acid h2cs3  
1197 H2NO3+ Nitric Acid, Protonated h2no3+  
1198 H2SO3 Sulfurous acid h2so3  
1199 C2H3NO Nitrosoethylene c2h3no  
1200 CH3NCO methylisocyante ch3nco  
1201 HOCH2CN cyanomethanol hoch2cn  
1202 CH3COO- acetate anion ch3coo-  
1203 NH2COOH Carbamic acid nh2cooh  
1204 H3BO3 Boric acid h3bo3  
1205 H3AlO3 Aluminum hydroxide h3alo3  
1206 H3CO3+ carbonic acid, protonated h3co3+  
1207 C3H4O 2-Propyn-1-ol c107197  
1208 C3H4O allenol c9000071  
1209 C3H4O Methylketene c6004440  
1210 CH2CHCHO Acrolein c3h4o  
1211 NH2CONH2+ Urea cation urea+  
1212 NH2CSNH2 Thiourea thiourea  
1213 C2H4O2 1,3-dioxetane c2h4o2  
1214 CHOCH2OH hydroxy acetaldehyde haa  
1215 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1216 NH3COOH+ protonated Carbamic acid nh3cooh+  
1217 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1218 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1219 HCOOHH2O Formic acid water dimer hcoohh2o  
1220 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1221 CH3COCH2 Acetonyl radical ch3coch2  
1222 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1223 CH3C(OH)=NH Ethaninidic acid eia  
1224 HCONHCH3 N-methylformamide nmfa  
1225 CH3CSNH2 Ethanethioamide ch3csnh2  
1226 CH5N2O+ urea, N-protonated ch4n2o+  
1227 H2NCOHNH2+ urea, protonated ureah+  
1228 C2H5OO ethylperoxy radical c2h5oo  
1229 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1230 C3H5OH Cyclopropanol cproh  
1231 C3H6O 2-Propen-1-ol c107186  
1232 C3H6O Acetone enol enol  
1233 C3H6O Oxetane oxetane  
1234 C3H6O Propylene oxide prox  
1235 CH3COCH3- acetone anion ch3coch3-  
1236 C3H6S Thietane thietane  
1237 C3H6S Thiirane, methyl- methiirane  
1238 CH3CSCH3 Thioacetone ch3csch3  
1239 CH3OOCH3 dimethylperoxide dmp  
1240 CH3SOCH3 Dimethyl sulfoxide dmso  
1241 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1242 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1243 CH3COHCH3+ acetone, protonated acetoneh+  
1244 HOCH2CH2NH2 monoethanolamine mea  
1245 C3H7OH 1-Propanol proh  
1246 CH3CHOHCH3 Isopropyl alcohol isoproh  
1247 CH3OC2H5 Ethane, methoxy- etome  
1248 C3H7SH 1-Propanethiol prsh  
1249 CH3CHSHCH3 2-Propanethiol isoprsh  
1250 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1251 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1252 Li2F2 Lithium fluoride dimer li2f2  
1253 Na2F2 Sodium Fluoride Dimer na2f2  
1254 Na2Cl2 Disodium dichloride na2cl2  
1255 C2F2 difluoroacetylene c2f2  
1256 C2Cl2 dichloroacetylene c2cl2  
1257 C2Cl2+ dichloroacetylene cation c2cl2+  
1258 FNO2 Nitryl fluoride fno2  
1259 FONO Nitrosyl hypofluorite fono  
1260 ClNO2 Nitryl chloride clno2  
1261 ClONO chlorine nitrite clono  
1262 BrONO Bromine nitrite brono  
1263 CF2O+ Carbonic difluoride cation f2co+  
1264 COFCl Carbonic chloride fluoride cofcl  
1265 CCl2O Phosgene cl2co  
1266 Cl2CS Thiophosgene cl2cs  
1267 COBr2 Carbonic dibromide cobr2  
1268 BF3- Borane, trifluoro- anion bf3-  
1269 BF3+ boron trifluoride cation bf3+  
1270 AlF3 Aluminum trifluoride alf3  
1271 BClF2 Chlorodifluoroborane bclf2  
1272 AlF2Cl Aluminum chloride difluoride alclf2  
1273 ScF3 Scandium trifluoride ScF3  
1274 AlFCl2 Aluminum dichloride fluoride alcl2f  
1275 BCl3 Borane, trichloro- bcl3  
1276 BCl3+ Boron Trichloride cation bcl3+  
1277 GaF3 Gallium trifluoride gaf3  
1278 AlCl3 Aluminum trichloride alcl3  
1279 GaCl3 Gallium trichloride gacl3  
1280 BBr3 Boron tribromide bbr3  
1281 AlBr3 Aluminum Bromide albr3  
1282 ClO3 Chlorine trioxide clo3  
1283 ClO3- chlorate anion clo3-  
1284 BrO3- Bromate anion bro3-  
1285 CF3- Trifluoromethyl anion cf3-  
1286 CF3+ Trifluoromethyl cation cf3+  
1287 CF2Cl difluorochloromethyl radical cf2cl  
1288 SiF3 Silicon trifluoride radical sif3  
1289 SiF3+ Silicon trifluoride cation sif3+  
1290 CFCl2 dichlorofluoromethyl radical cfcl2  
1291 CCl3 Trichloromethyl radical ccl3  
1292 CCl3- Trichloromethyl anion ccl3-  
1293 CCl3+ Trichloromethyl cation ccl3+  
1294 SiCl3 trichlorosilyl radical sicl3  
1295 SiCl3+ trichlorosilyl cation sicl3+  
1296 CBr3 tribromomethyl radical cbr3  
1297 FOOF Perfluoroperoxide foof  
1298 ClO2F Chloryl fluoride clo2f  
1299 F2SO Thionyl Fluoride f2so  
1300 ClOOCl Dichlorine dioxide cloocl  
1301 FSSF Difluorodisulfane fssf  
1302 S2F2 Thio-thionyl fluoride s2f2  
1303 SOCl2 thionyl chloride socl2  
1304 SSCl2 Thiothionyl chloride sscl2  
1305 SeOCl2 selenium oxychloride seocl2  
1306 NF3- Nitrogen trifluoride anion nf3-  
1307 NF3+ Nitrogen trifluoride cation nf3+  
1308 PF3 Phosphorus trifluoride pf3  
1309 NCl3 nitrogen trichloride ncl3  
1310 AsF3 Arsenic trifluoride asf3  
1311 PCl3 Phosphorus trichloride pcl3  
1312 SbF3 Antimony Trifluoride sbf3  
1313 AsCl3 Arsenous trichloride ascl3  
1314 SbCl3 Antimony Trichloride sbcl3  
1315 NBr3 Nitrogen Tribromide nbr3  
1316 PBr3 Phosphorus tribromide pbr3  
1317 AsBr3 Arsenic tribromide asbr3  
1318 NI3 Nitrogen triiodide ni3  
1319 PI3 Phosphorus triiodide pi3  
1320 ClSSCl Disulfur dichloride s2cl2  
1321 SF3 Sulfur trifluoride sf3  
1322 ClF3 Chlorine trifluoride clf3  
1323 BrF3 Bromine trifluoride brf3  
1324 IF3 iodone trifluoride if3  
1325 HClO3 Chloric Acid hclo3  
1326 CHF2Cl difluorochloromethane chf2cl  
1327 SiHF3 trifluorosilane sihf3  
1328 CHFCl2 fluorodichloromethane chfcl2  
1329 CDCl3 trichloromethane-d cdcl3  
1330 CHCl3 Chloroform chcl3  
1331 CHBrF2 Methane, bromodifluoro- chbrf2  
1332 SiHCl3 Trichlorosilane sihcl3  
1333 CHFClBr fluorochlorobromomethane chfclbr  
1334 CHBrCl2 Methane, bromodichloro- chbrcl2  
1335 CHF2I difluoroiodomethane chf2i  
1336 CHBr2F dibromofluoromethane chbr2f  
1337 CHFClI fluorochloroiodomethane chfcli  
1338 CHCl2I dichloroiodomethane chcl2i  
1339 CHClBr2 Methane, dibromochloro- chclbr2  
1340 CHBr3 bromoform chbr3  
1341 CHI3 Iodoform chi3  
1342 NF3H+ protonated nitrogen trifluoride nf3h+  
1343 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1344 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1345 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1346 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1347 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1348 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1349 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1350 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1351 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1352 C2H2Br2 1,1-dibromoethene c2h2br2  
1353 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1354 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1355 CH2FCHO Fluoroacetaldehyde ch2fcho  
1356 CH2ClCHO chloroacetaldehyde ch2clcho  
1357 CH3COCl Acetyl Chloride ch3cocl  
1358 C2H4F2 1,2-difluoroethane c2h4f2  
1359 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1360 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1361 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1362 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1363 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1364 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1365 CH2CFCH3 2-fluoropropene 2fpro  
1366 CH2CHCH2F Allyl Fluoride allylf  
1367 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1368 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1369 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1370 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1371 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1372 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1373 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1374 CH2FCH2CH3 1-Fluoropropane prf1  
1375 CH3CHFCH3 2-Fluoropropane prf2  
1376 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1377 CH3CHClCH3 Propane, 2-chloro- prcl2  
1378 CH3CH2CH2Br n-propyl bromide prbr  
1379 CH3CHBrCH3 i-propyl bromide iprbr  
1380 C3H9O+ trimethyl oxonium cation c3h9o+  
1381 B5H9 pentaborane9 b5h9  
1382 C5H4 pentatetraene ptrene  
1383 C5H5 cyclopentadienyl radical c5h5  
1384 C5H5- cylopentadienyl anion c5h5-  
1385 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1386 C5H6 3-Penten-1-yne, (E)- c2004695  
1387 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1388 C5H6 Cyclopropylacetylene c6746947  
1389 C5H6 Propellane propellane  
1390 C5H7 1,3-pentadienyl radical pdyl  
1391 C5H7 cyclopentenyl radical cpyl  
1392 C5H8 1,2-Butadiene, 3-methyl- c598254  
1393 C5H8 1,2-Pentadiene c591957  
1394 C5H8 1,3-Butadiene, 2-methyl- c78795  
1395 C5H8 1,3-Pentadiene, (E)- c2004708  
1396 C5H8 1,3-Pentadiene, (Z)- c1574410  
1397 C5H8 1,4-Pentadiene c591935  
1398 C5H8 1-pentyne a1pentyne  
1399 C5H8 2,3-Pentadiene c591968  
1400 C5H8 Bicyclo[1.1.1]pentane bcp  
1401 C5H8 Cyclobutane, methylene- c1120565  
1402 C5H8 Cyclopentene c142290  
1403 C5H8 Ethenylcyclopropane c693867  
1404 CH3CCCH2CH3 2-Pentyne 2pentyne  
1405 C5H10 1-Butene, 2-methyl- c563462  
1406 C5H10 2-Butene, 2-methyl- c513359  
1407 C5H10 2-Pentene, (E)- c646048  
1408 C5H10 2-Pentene, (Z)- c627203  
1409 C5H10 Cyclopentane c287923  
1410 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1411 CH2CHCH2CH2CH3 1-pentene pentene  
1412 C5H11 2-Methylbut-2-yl radical c4348350  
1413 C5H12 Butane, 2-methyl- buta2  
1414 C5H12 Pentane pentane  
1415 C5H12 Propane, 2,2-dimethyl- neopentane  
1416 Si(CH3)4 tetramethylsilane tms  
1417 N2O3 Dinitrogen trioxide n2o3  
1418 C3H2N2 Malononitrile c3h2n2  
1419 CH2N4 1H-Tetrazole 1htz  
1420 C3H3N2 imidazolyl radical im  
1421 C3H3N2- imidizolyl anion im-  
1422 C2H3N3 1H-1,2,4-Triazole c288880  
1423 C4H4N pyrrolide radical c4h4n  
1424 C4H4N- pyrrolide anion c4h4n-  
1425 C3H4N2 1H-Imidazole 1himidaz  
1426 C3H4N2 1H-Pyrazole 1hpyraz  
1427 C3H4N2 2H-Imidazole imid2h  
1428 C3H4N2 4H-Imidazole imid4h  
1429 C4H5N 2H-pyrrole pyrrole2  
1430 C4H5N 3H-pyrrole pyrrole3  
1431 CH2CHCH2CN Allylcyanide ch2chch2cn  
1432 C4H6N+ pyrrole, alpha-protonated appyr  
1433 C4H6N+ pyrrole, beta-protonated bppyr  
1434 C4H6N+ pyrrole, protonated ppyr  
1435 C3H6N2 3-Aminopropionitrile c151188  
1436 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1437 CH3CH2CH2CN Butanenitrile c109740  
1438 C5H8 Bicyclo[2.1.0]pentane c185944  
1439 C5H8 Spiropentane c157404  
1440 C4H9N Cyclobutylamine cbam  
1441 C4H9N Pyrrolidine pyrrolidine  
1442 C3H10N2 1,2-Diaminopropane diampr12  
1443 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1444 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1445 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1446 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1447 NH(C2H5)2 diethylamine dea  
1448 NC4H12+ tetramethyl ammonium cation nc4h12+  
1449 C3O2+ Carbon suboxide cation c3o2+  
1450 B2O3 diboron trioxide b2o3  
1451 MgCO3 Magnesium Carbonate mgco3  
1452 BeCO3 Beryllium Carbonate beco3  
1453 CaCO3 Calcium Carbonate caco3  
1454 ONONO Nitrosyl nitrite onono  
1455 PO4--- phosphate po4---  
1456 SO4-- sulfate so4--  
1457 HOONO2 peroxy nitric acid hoono2  
1458 HSO4- bisulfate anion hso4-  
1459 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1460 C3H2O2 Propiolic acid c3h2o2  
1461 CHOCOOH oxo acetic acid oaa  
1462 CHOOCHO diformyl ether choocho  
1463 H2SO4 Sulfuric acid h2so4  
1464 H2SeO4 Selenic acid h2seo4  
1465 C3H3NO Oxazole oxazole  
1466 C3H3NS Thiazole thiazole  
1467 CH3C(O)OO acetyl peroxy radical ch3coo2  
1468 H3PO4 Phosphoric Acid h3po4  
1469 C4H4O+ Furan cation furan+  
1470 CH3COCCH 3-butyn-2-one c1423605  
1471 C4H4S Thiophene furans  
1472 C4H4Se selenophene c4h4se  
1473 C3H4O2 Methyl glyoxal megly  
1474 C3H4O2 propanedial propanedial  
1475 C3H4O2 propenalol propenalol  
1476 HOCHCCHOH allenediol aldiol  
1477 C2H4O3 1,2,3-trioxolane c2h4o3  
1478 C2H4O3 trioxolane124 triox  
1479 HOCH2COOH Hydroxyacetic acid hac  
1480 CH2CHCONH2 Acrylamide c79061  
1481 CH5N3S Hydrazinecarbothioamide c79196  
1482 H2NCH2COOH Glycine glycine  
1483 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1484 C4H6O cis-2-butenal butenal2c  
1485 C4H6O Cyclobutanone cbutone  
1486 C4H6O Furan, 2,3-dihydro- furan23h  
1487 C4H6O Furan, 2,5-dihydro- furan25h  
1488 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1489 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1490 CH2CHSCHCH2 Divinyl sulfide divis  
1491 C2H6N2O Urea, methyl- c598505  
1492 C3H6O2 1,3-Dioxolane dioxolane  
1493 CH3CH2COOH Propanoic Acid propanoic  
1494 HCOOC2H5 Ethyl formate faee  
1495 C2H6O2S Dimethyl sulfone c67710  
1496 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1497 C3H7NO dimethylformamide dmf  
1498 C3H7NO Propanamide propanam  
1499 C2H3OC2H5 Ethene, ethoxy- c109922  
1500 C4H8O Cyclobutanol c2919235  
1501 C4H8O Furan, tetrahydro- thf  
1502 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1503 CH3COCH2CH3 2-Butanone buta2one  
1504 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1505 CHOCH2CH2CH3 Butanal butanal  
1506 C4H8S Thiophene, tetrahydro- tht  
1507 C3H8O2 1,3-Propanediol c504632  
1508 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1509 C3H8O2 Methane, dimethoxy- c109875  
1510 C3H8O2 Propylene glycol c57556  
1511 C3H8S2 1,3-Propanedithiol c109808  
1512 C4H10O 1-Butanol butanol1  
1513 C4H10O 1-Propanol, 2-methyl- c78831  
1514 C4H10O 2-Butanol, (.+/-.)- butanol2  
1515 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1516 C4H10O Ethoxy ethane etoet  
1517 C4H10O Methyl propyl ether meopr  
1518 C4H10O Propane, 2-methoxy- c598538  
1519 C4H10O+ 1-Butanol cation butanol1+  
1520 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1521 C2H5SC2H5 Diethyl sulfide etset  
1522 C4H9SH 1-Butanethiol bush  
1523 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1524 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1525 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1526 ClONO2 Chlorine nitrate clono2  
1527 BrONO2 Bromine nitrate brono2  
1528 TiCl4 Titanium tetrachloride ticl4  
1529 ClO4- perchlorate anion clo4-  
1530 BF4- tetrafluoroboron anion bf4-  
1531 ClFO3 Perchloryl fluoride clfo3  
1532 SO2F2 Sulfuryl fluoride so2f2  
1533 SO2Cl2 Sulfuryl chloride so2cl2  
1534 F3PO Phosphoryl fluoride pf3o  
1535 Cl3PO Phosphoryl chloride pcl3o  
1536 CF3Cl Methane, chlorotrifluoro- cf3cl  
1537 SiF4 Silicon tetrafluoride sif4  
1538 CF2Cl2 difluorodichloromethane cf2cl2  
1539 TiF4 Titanium tetrafluoride tif4  
1540 CFCl3 Trichloromonofluoromethane cfcl3  
1541 CF3Br Bromotrifluoromethane cf3br  
1542 GeF4 Germanium tetrafluoride gef4  
1543 CCl4 Carbon tetrachloride ccl4  
1544 CCl4+ Carbon tetrachloride cation ccl4+  
1545 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1546 SiCl4 Silane, tetrachloro- sicl4  
1547 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1548 CF3I trifluoroiodomethane cf3i  
1549 CBrCl3 Methane, bromotrichloro- cbrcl3  
1550 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1551 GeCl4 Germanium Tetrachloride gecl4  
1552 CBr2ClF dibromochlorofluoromethane cbr2clf  
1553 CBr2Cl2 dibromodichloromethane cbr2cl2  
1554 CCl3I trichloroiodomethane ccl3i  
1555 CFBr3 fluorotribromomethane cfbr3  
1556 CFClBrI fluorochlorobromoiodomethane cfclbri  
1557 CBr3Cl tribromochloromethane cbr3cl  
1558 CF2I2 difluorodiiodomethane cf2i2  
1559 CBr4 Carbon tetrabromide cbr4  
1560 CCl2I2 dichlorodiiodomethane ccl2i2  
1561 SiBr4 Silicon tetrabromide sibr4  
1562 CBr3I tribromoiododmethane cbr3i  
1563 GeBr4 Germanium tetrabromide gebr4  
1564 CI4 tetraiodomethane ci4  
1565 SiI4 silicon tetraiodide sii4  
1566 ClOF3 Chlorine trifluoride oxide clof3  
1567 SF4 Sulfur tetrafluoride sf4  
1568 SeF4 Selenium tetrafluoride sef4  
1569 SCl4 Sulfur tetrachloride scl4  
1570 C2HF3 Trifluoroethylene c2hf3  
1571 C2HF3+ Trifluoroethylene cation c2hf3+  
1572 CHClCCl2 Trichloroethylene chclccl2  
1573 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1574 HClO4 perchloric acid hclo4  
1575 HSO3F Fluorosulfonic acid hso3f  
1576 CF3OH trifluoromethanol cf3oh  
1577 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1578 CHClCCHCl 1,3-dichloroallene chclcchcl  
1579 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1580 CHCl2CHO dichloroacetaldehyde chcl2cho  
1581 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1582 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1583 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1584 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1585 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1586 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1587 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1588 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1589 NH3BCl3 Amminetrichloroboron nh3bcl3  
1590 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1591 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1592 C3H5ClO Oxirane, (chloromethyl)- c106898  
1593 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1594 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1595 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1596 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1597 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1598 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1599 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1600 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1601 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1602 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1603 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1604 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1605 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1606 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1607 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1608 C4H9F 1-fluorobutane butaf1  
1609 CH3CHFCH2CH3 2-fluorobutane butaf2  
1610 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1611 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1612 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1613 XeF4 Xenon tetrafluoride xef4  
1614 C2H2N2O Furazan furazan  
1615 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1616 NH3BF3 Amminetrifluoroboron nh3bf3  
1617 C6H2 hexatriyne c6h2  
1618 C6H4 Benzyne benzyne  
1619 C6H5 phenyl phenyl  
1620 C6H5- phenyl anion phenyl-  
1621 C6H6 Prismane prismane  
1622 C6H6 1,2,4,5-Hexatetraene ht1245  
1623 C6H6 2,4-Hexadiyne hexadiyne  
1624 C6H6 3,4-Dimethylenecyclobutene cb34m  
1625 C6H6 Benzene benzene  
1626 C6H6 Benzvalene bv  
1627 C6H6 Dewar Benzene dewar  
1628 C6H6 Hexa-1,5-diene-3-yne hdy153  
1629 C6H6 Trimethylenecycopropane tmcp  
1630 C6H6+ Benzene cation c6h6+  
1631 C6H7+ benzene, protonated c6h7+  
1632 C6H8 (E)-hexa-1,3,5-triene c821078  
1633 C6H8 (E)-hexa-2,3,4-triene c59660650  
1634 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1635 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1636 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1637 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1638 C6H8 3-Methylenecyclopentene c930267  
1639 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1640 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1641 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1642 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1643 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1644 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1645 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1646 C6H10 1,5-Hexadiene c592427  
1647 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1648 C6H10 1-Hexyne hexyne1  
1649 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1650 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1651 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1652 C6H10 2-Hexyne c764352  
1653 C6H10 3-Hexyne hexyne3  
1654 C6H10 cyclohexene cyclohexene  
1655 C6H10 Cyclopentene, 1-methyl- c693890  
1656 C6H10 Cyclopentene, 3-methyl- c1120623  
1657 C6H10 Cyclopentene, 4-methyl- c1759815  
1658 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1659 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1660 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1661 C6H12 (E)-2-Hexene e2hexene  
1662 C6H12 (E)-3-methylpent-2-ene c616126  
1663 C6H12 (E)-hex-3-ene e3hexene  
1664 C6H12 (Z)-3-methylpent-2-ene c922623  
1665 C6H12 (Z)-hex-2-ene z2hexene  
1666 C6H12 (Z)-hex-3-ene z3hexene  
1667 C6H12 2,3-dimethylbut-1-ene c563780  
1668 C6H12 2,3-dimethyl-but-2-ene tmeet  
1669 C6H12 3-methylenepentane c760214  
1670 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1671 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1672 C6H12 Cyclohexane cyclohexane  
1673 C6H12 Cyclopentane, methyl- c96377  
1674 C6H12 Ethylcyclobutane c4806615  
1675 C6H12 hex-1-ene hexene1  
1676 C6H14 Butane, 2,2-dimethyl- buta22  
1677 C6H14 Butane, 2,3-dimethyl- buta23  
1678 C6H14 Hexane hexane  
1679 C6H14 Pentane, 2-methyl- penta2  
1680 C6H14 Pentane, 3-methyl- penta3  
1681 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1682 C4H2N2 Fumaronitrile c4h2n2  
1683 C2H2N4 sym-tetrazine ttz  
1684 CH3N5 5-Aminotetrazole c4418615  
1685 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1686 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1687 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1688 C5H5N E-2,4-pentadienenitrile bdcn  
1689 B3N3H6 borazine borazine  
1690 C6H6 Fulvene fulvene  
1691 C5H6N+ Pyridinium c5h6n  
1692 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1693 C5H7N (E)-2-Pentenenitrile c26294984  
1694 C5H7N (E)-3-Pentenenitrile c16529661  
1695 C5H7N (Z)-2-Pentenenitrile c25899507  
1696 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1697 C5H7N Cyclobutanecarbonitrile c4426113  
1698 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1699 C5H9N Butanenitrile, 2-methyl- c18936179  
1700 C5H9N Pentanenitrile c110598  
1701 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1702 C6H10 Bicyclo[3.1.0]hexane c285585  
1703 C5H11N Cyclopentanamine cypentam  
1704 C5H11N Piperidine piper  
1705 C4H12N2 1,2-Butanediamine c4426486  
1706 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1707 Li2CO3 Lithium Carbonate li2co3  
1708 Na2CO3 Sodium Carbonate na2co3  
1709 C2O4-- oxalate anion c2o4  
1710 MgSO4 Magnesium Sulfate mgso4  
1711 C3H2O3 vinylene carbonate vica  
1712 C2H2O4 Oxalic Acid oxalic  
1713 C2H3NO3 Oxamic acid oxamic  
1714 C4H4O2 2(5H)-Furanone furanone  
1715 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1716 C2H4N2S2 Ethanedithioamide c79403  
1717 C2H4CO3 Ethylene carbonate etco3  
1718 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1719 C3H4S3 1,3-Dithiolane-2-thione c822388  
1720 C2H4O4 Formic acid dimer fadimer  
1721 C4H5NO 3-Methylisoxazole isox3m  
1722 C4H5NO Isoxazole, 5-methyl- c5765446  
1723 C4H5NS 4-Methylthiazole c693958  
1724 C2H5NO3 Nitric acid, ethyl ester c625581  
1725 C5H6O 2H-Pyran pyran2  
1726 C5H6O 2-methylfuran furan2m  
1727 C5H6O 3-Methylfuran furan3m  
1728 C5H6O Pentadienal pdal  
1729 C5H6S Thiophene, 2-methyl- c554143  
1730 C5H6S Thiophene, 3-methyl- c616444  
1731 C4H6O2 γ–Butyrolactone c96480  
1732 C4H6O2 2,3-Butanedione c431038  
1733 C4H6O2 2-Propenoic acid, methyl ester c96333  
1734 C4H6O2 Crotonic Acid crot  
1735 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1736 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1737 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1738 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1739 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1740 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1741 C4H6OS Vinyl sulfoxide c1115157  
1742 CH6N4S Carbonothioic dihydrazide thiacarb  
1743 C2H6N2O2 (E)-Azodioxymethane c37765154  
1744 C2H6N2O2 Dimethylnitroamine c4164287  
1745 C3H6O3 1,3,5-Trioxane trioxane  
1746 C3H6S3 1,3,5-Trithiane c3h6s3  
1747 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1748 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1749 C4H7NO 2-Pyrrolidinone c616455  
1750 C4H7NO Ethoxyacetonitrile etoaccn  
1751 C4H7NO Methacrylamide c79390  
1752 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1753 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1754 C3H7ONO Propyl nitrite prono  
1755 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1756 CH3CH(NH2)COOH Alanine alanine  
1757 CH3NHCH2COOH Sarcosine sarcosine  
1758 NH2CH2CH2COOH β–alanine betaalanine  
1759 NH2COOC2H5 Urethane urethane  
1760 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1761 C5H8O Cyclopentanone c120923  
1762 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1763 C5H8O Methyl cyclopropyl ketone c765435  
1764 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1765 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1766 NH2CONHC2H5 Urea, ethyl- c625525  
1767 C4H8O2 1,3-Dioxane dioxan13  
1768 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1769 C4H8O2 1,4-Dioxane dioxan14  
1770 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1771 C4H8O2 Ethyl acetate c141786  
1772 C4H8OS s-Ethyl thioacetate c625605  
1773 C3H8O3 1,2,3-Propanetriol glycerin  
1774 C3H8O2S (Methylsulfonyl)ethane c594434  
1775 C4H9NO Butanamide c541355  
1776 C4H9NO Propanamide, 2-methyl- c563837  
1777 C5H10O 2-Butanone, 3-methyl- c563804  
1778 C5H10O 2H-Pyran, tetrahydro- c142687  
1779 C5H10O 2-methylbutyraldehyde 2meba  
1780 C5H10O 2-Pentanone mpk  
1781 C5H10O 3-Pentanone dek  
1782 C5H10O Cyclopentanol c96413  
1783 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1784 C5H10O Pentanal pal  
1785 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1786 C5H10S 3-Ethylthio-1-propene c5296628  
1787 C5H10S Cyclopentanethiol c1679078  
1788 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1789 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1790 C4H10O2 1,1-Dimethoxyethane c534156  
1791 C4H10O2 1,3-Butanediol budiol13  
1792 C4H10O2 1,4-Butanediol budiol14  
1793 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1794 C4H10OS Diethyl sulfoxide c70291  
1795 C4H10S2 1,4-Butanedithiol budisl14  
1796 C4H11NO Diethylhydroxylamine c3710847  
1797 C5H12O 1-Butanol, 2-methyl- c137326  
1798 C5H12O 1-Butanol, 3-methyl- c123513  
1799 C5H12O 1-Pentanol pentanol1  
1800 C5H12O 2-Butanol, 3-methyl- c598754  
1801 C5H12O 2-Pentanol peol2  
1802 C5H12O 3-Pentanol pentan3ol  
1803 C5H12O Butane, 1-methoxy- meobu  
1804 C5H12O Propane, 1-ethoxy- proet  
1805 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1806 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1807 C5H12S 1-Butanethiol, 3-methyl- c541311  
1808 C5H12S 1-Pentanethiol c110667  
1809 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1810 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1811 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1812 C5H12S Butane, 1-(methylthio)- c628295  
1813 C5H12S Ethyl propyl sulfide c4110503  
1814 C5H12S Propane, 2-(ethylthio)- c5145993  
1815 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1816 C4F2 difluorobutadiyne c4f2  
1817 ClCOClCO Oxalyl chloride oxcl  
1818 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1819 B2Cl4 Diboron tetrachloride b2cl4  
1820 C2F4+ Tetrafluoroethylene cation c2f4+  
1821 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1822 CF2CCl2 difluorodichloroethylene cf2ccl2  
1823 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1824 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1825 C2FCl3 fluorotrichloroethene c2fcl3  
1826 C2Cl4 Tetrachloroethylene c2cl4  
1827 C2Br4 tetrabromoethene c2br4  
1828 CF3OF Trifluoromethylhypofluorite cf3of  
1829 SiF5- silicon pentafluoride anion sif5-  
1830 SOF4 Sulfur tetrafluoride oxide sof4  
1831 PF5 Phosphorus pentafluoride pf5  
1832 AsF5 Arsenic pentafluoride asf5  
1833 PCl5 Phosphorus pentachloride pcl5  
1834 SF5 Sulfur pentafluoride sf5  
1835 SF5+ pentafluoro sulfur cation sf5+  
1836 SbCl5 Antimony pentachloride sbcl5  
1837 BrF5 bromine pentafluoride brf5  
1838 ClF5 chlorinepentafluoride clf5  
1839 IF5 pentafluoroiodine if5  
1840 CF3CHO trifluoroacetaldehyde cf3cho  
1841 CCl3CHO trichloroacetaldehyde ccl3cho  
1842 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1843 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1844 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1845 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1846 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1847 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1848 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1849 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1850 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1851 CF3COOH trifluoroacetic acid cf3cooh  
1852 C4H3ClO Furan, 2-chloro fur2cl  
1853 C4H3ClO Furan,3-chloro fur3cl  
1854 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1855 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1856 C4H8Cl2 1,4-Dichlorobutane c110565  
1857 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1858 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1859 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1860 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1861 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1862 C5H11Cl Pentane, 1-chloro- pencl1  
1863 C4H8O2 Butanoic acid bua  
1864 C6H5CH2 benzyl radical benzyl  
1865 C7H7 cycloheptatrienyl radical c7h7  
1866 C7H7+ cycloheptatrienyl cation c7h7+  
1867 C6H5CH3 toluene toluene  
1868 C7H8 cycloheptatriene cht  
1869 C7H8 Norbornadiene norbor  
1870 C7H8 Quadricyclane qucy  
1871 C7H12 Norbornane nor  
1872 C7H14 cycloheptane c7h14  
1873 C7H16 2-methylhexane 2mhex  
1874 C7H16 3-methylhexane hex3m  
1875 C7H16 heptane heptane  
1876 CH(CN)3 tricyanomethane mecn3  
1877 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1878 C6H7N 2-Methylpyridine mp  
1879 C6H5NH2 aniline aniline  
1880 C6H13N 2-Methylpiperidine pip2m  
1881 C6H13N cyclohexanamine cham  
1882 C6H15N triethylamine tea  
1883 N2O5 Dinitrogen pentoxide n2o5  
1884 C4H2O3 Maleic Anhydride malan  
1885 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1886 C5H4O2 furfural furfural  
1887 C6H5O phenoxy radical phenoxy  
1888 C5H5NO 2(1H)-Pyridinone c72762006  
1889 C5H5NO 2(3H)-Pyridinone c9000048  
1890 C5H5NO 2(5H)-Pyridinone c9000037  
1891 C5H5NO 2-Pyridinol c109104  
1892 C5H5NO 3(2H)-Pyridinone c9000004  
1893 C5H5NO 3(4H)-Pyridinone c9000026  
1894 C5H5NO 3(6H)-Pyridinone c9000015  
1895 C5H5NO 3-Pyridinol c109002  
1896 C5H5NO 4(1H)-Pryidinone c9000060  
1897 C5H5NO 4(3H)-Pryidinone c9000059  
1898 C5H5NO 4-Pyridinol c626642  
1899 C6H5OH phenol phenol  
1900 C6H6O 2,4-Cyclohexadienone c24599573  
1901 C6H6O 2,5-Cyclohexadienone c5664335  
1902 C6H5SH Benzenethiol phsh  
1903 HO2CCHNH2CH2OH Serine serine  
1904 C5H8O2 Acetylacetone acac  
1905 C4H8O2S Sulfolane sulfolane  
1906 C7H10 Norbornene norbornene  
1907 CH(C2H3)3 trivinyl methane tvm  
1908 C6H10O cyclohexanone chexo  
1909 C6H12O hexanal c6h12o  
1910 C6H12O Oxepane oxepane  
1911 C3H7OC3H7 di-n-propyl ether propr  
1912 F2CCCF2 tetrafluoroallene pfa  
1913 CF3COO- trifluoro acetate anion cf3coo-  
1914 CF3COF trifluoroacetyl fluoride cf3cof  
1915 CF3COCl trifluoroacetyl chloride cf3cocl  
1916 PF6 Hexafluorophosphate neutral pf6  
1917 PF6- Hexafluorophosphate ion pf6-  
1918 SF6 Sulfur Hexafluoride sf6  
1919 SeF6 Selenium hexafluoride sef6  
1920 SF5Cl sulfur chloropentafluoride sf5cl  
1921 CF3CHF2 pentafluoroethane cf3chf2  
1922 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1923 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1924 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1925 CCl3CHCl2 pentachloroethane ccl3chcl2  
1926 C6H5F Fluorobenzene bzf  
1927 C6H5Cl chlorobenzene bzcl  
1928 C6H5Br bromobenzene bzbr  
1929 C8H6 Calicene calicene  
1930 C6H5CCH phenylacetylene phac  
1931 C8H6 benzocyclobutadiene bcbd  
1932 C8H6 Pentalene pentalene  
1933 C6H5CHCH2 Styrene styrene  
1934 C8H8 cubane cubane  
1935 C8H8 cyclooctatetraene cot  
1936 C6H5CH2CH3 Ethylbenzene etbz  
1937 CH3C6H4CH3 meta-xylene mxylene  
1938 CH3C6H4CH3 paraxylene pxylene  
1939 C8H14 Bicyclo[2.2.2]octane bico222  
1940 C8H16 cyclooctane cyclooct  
1941 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1942 C8H18 Octane c8h18  
1943 C6H5CN phenyl cyanide phcn  
1944 C6H12N2 Triethylenediamine ted  
1945 C4O4-- squarate dianion c4o4--  
1946 S4N4 Tetrasulfur tetranitride s4n4  
1947 S8 Octasulfur s8  
1948 C6H4O2 parabenzoquinone pbq  
1949 C4H4N2O2 Uracil uracil  
1950 C6H5CHO benzaldehyde benzal  
1951 C6H5OCH3 Anisole anisole  
1952 C5H9NO2 Proline proline  
1953 C6H12O2 Methyl pivalate c598981  
1954 C6H12O2 Hexanoic acid hexa  
1955 C4F4 tetrafluorcyclobutadiene c4f4  
1956 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1957 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1958 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1959 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1960 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1961 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1962 C2F6 hexafluoroethane c2f6  
1963 C2Cl6 hexachloroethane c2cl6  
1964 IF7 Iodine heptafluoride if7  
1965 C6H4F2 metadifluorobenzene mdfb  
1966 C6H4F2 orthodifluorobenzene odfb  
1967 C6H4F2 1,4-difluorobenzene pdfb  
1968 C6H4Cl2 1,2-dichlorobenzene dcb12  
1969 C6H4Cl2 1,3-dichlorobenzene dcb13  
1970 C6H4Cl2 1,4-dichlorobenzene dcb14  
1971 C6H5NO nitrosobenzene bzno  
1972 C9H8 Indene indene  
1973 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1974 C9H12 n-propyl benzene prbz  
1975 C9H20 Nonane nonane  
1976 C(CN)4 tetracyanomethane c5n4  
1977 C5H4N4 purine purine  
1978 C8H7N Indole indole  
1979 C3H3N3O3 cyanuric acid cyanuric  
1980 C6H5NO2 Nitrobenzene c6h5no2  
1981 C6H5COOH benzoic acid benzo  
1982 CH3COC6H5 acetophenone acph  
1983 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1984 C3F6 hexafluoropropene c3f6  
1985 C6H3F3 Benzene trifluoride 123 bzf3a  
1986 C8H18O 1-Octanol octanol  
1987 C10H8 Azulene azu  
1988 C10H8 naphthalene naph  
1989 C10H10 bullvalene bullv  
1990 C10H16 adamantane adamantane  
1991 C6N4 Tetracyanoethylene tcne  
1992 C6N4- tetracyanoethylene anion tcne-  
1993 C10H22 Decane decane  
1994 C4F6 perfluorobutadiene c4f6  
1995 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1996 C3F8 perfluoropropane c3f8  
1997 Fe(CO)5 Iron pentacarbonyl ipc  
1998 Fe(C5H5)2 ferrocene fecp2  
1999 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2000 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2001 C12H8 Acenaphthylene acenaph  
2002 C12H8 biphenylene biph  
2003 C12H10 biphenyl biphenyl  
2004 C12H10 Heptalene heptalene  
2005 C6H12O6 Inositol inositol  
2006 C6F6 hexafluorobenzene c6f6  
2007 S2F10 disulphur decafluoride s2f10  
2008 C13H10 Fluorene fluorene  
2009 C14H10 Anthracene anth  
2010 C14H10 Phenanthrene phenanthrene  
2011 C14H14 Bibenzyl bibenzyl  
2012 C12H10N2 azobenzene azobenzene  
2013 C6H5COC6H5 benzophenone benzophenone  
2014 C16H10 Pyrene pyrene  
2015 C18H12 Tetracene tetracene  
2016 C19H16 Triphenylmethane tpm  
2017 C24H12 Coronene coronene  
2018 C60 Buckminsterfullerene c60