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

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 HD Deuterium hydride 1ΣgD∞h
8 He2+ helium diatomic cation 2ΣuD∞h
9 LiH- lithium hydride anion 2ΣC∞v
10 LiH+ lithium hydride cation 2ΣC∞v
11 NaH- sodium hydride anion 2ΣC∞v
12 NaH+ sodium hydride cation 2ΣC∞v
13 BeH- berylium monohydride anion 1ΣC∞v
14 BeH+ beryllium monohydride cation 1ΣC∞v
15 MgH- magnesium monohydride anion 1ΣC∞v
16 MgH+ magnesium monohydride cation 1ΣC∞v
17 B Boron atom 2PKh
18 BH Boron monohydride 1ΣC∞v
19 BH- boron monohydride anion 2ΠC∞v
20 BH+ boron monohydride cation 2ΣC∞v
21 BH2 boron dihydride 2A1C2v
22 BH3 boron trihydride 1A1'D3h
23 AlH3 aluminum trihydride 1A1'D3h
24 C Carbon atom 3P0Kh
25 Si Silicon atom 3PKh
26 CH Methylidyne 2Π1/2C∞v
27 CH- methylidyne anion 3ΣC∞v
28 CH+ Methylidyne cation 1ΣC∞v
29 CH2 Methylene 3B1C2v
30 CH2 Methylene 1A1C2v
31 CH2- methylene anion 2B1C2v
32 CH2+ methylene cation 2A1C2v
33 SiH2 silicon dihydride 1A1C2v
34 SiH2 silicon dihydride 3B1C2v
35 CH3 Methyl radical 2A1D3h
36 CH3- methyl anion 1A1C3v
37 SiH3 Silyl radical 2A1C3v
38 CH4 Methane 1A1Td
39 SiH4 Silane 1A1Td
40 P Phosphorus atom 4SKh
41 NH Imidogen 3Σ-C∞v
42 NH Imidogen 1Σ+C∞v
43 NH- Imidogen anion 2ΠC∞v
44 NH+ imidogen cation 2ΠC∞v
45 PH phosphorus monohydride 1Σ+C∞v
46 ND2 Amidogen-d2 2B1C2v
47 NH2 Amino radical 2B1C2v
48 NH2- amino anion 1A1C2v
49 ND3 Ammonia-d3 1A1C3v
50 NH3 Ammonia 1A1C3v
51 PH3 Phosphine 1A1C3v
52 PH4+ phosphonium cation   
53 O Oxygen atom 3SKh
54 S Sulfur atom 3PKh
55 DO Hydroxyl-d 2ΠC∞v
56 OH Hydroxyl radical 2ΠC∞v
57 OH- hydroxide anion 1ΣC∞v
58 OH+ hydoxyl cation 3ΣC∞v
59 OH+ hydoxyl cation 1ΣC∞v
60 HS Mercapto radical 2ΠC∞v
61 D2O Deuterium oxide 1A1C2v
62 H2O Water 1A1C2v
63 H2O- water anion 2A1C2v
64 H2O+ water cation 2B1C2v
65 HDO Water-d1 1A1C2v
66 D2S Hydrogen sulfide-d2 1A1C2v
67 H2S Hydrogen sulfide 1A1C2v
68 H2S+ Hydrogen sulfide cation 2B1C2v
69 H3O+ hydronium cation 1A1C3v
70 H3S+ Sulfonium cation 1A1C3v
71 F Fluorine atom 2PKh
72 Cl Chlorine atom 2PKh
73 DF Hydrofluoric acid-d 1ΣC∞v
74 HF Hydrogen fluoride 1ΣC∞v
75 HF- hydrogen fluoride anion 2ΣC∞v
76 HF+ hydrogen fluoride cation 2ΠC∞v
77 HCl Hydrogen chloride 1ΣC∞v
78 HCl+ hydrogen chloride cation 2ΠC∞v
79 H2Cl+ dihydrogen monochloride cation 1A1C2v
80 Ne Neon atom 1SKh
81 NeH+ neon hydrogen cation 1ΣC∞v
82 Li2- lithium diatomic anion 2ΣuD∞h
83 NaLi lithium sodium 1ΣC∞v
84 NaLi- lithium sodium anion 2ΣC∞v
85 NaLi+ lithium sodium cation 2ΣC∞v
86 Na2- sodium diatomic anion 2ΣuD∞h
87 Na2+ sodium diatomic cation 2ΣgD∞h
88 Be2- Beryllium diatomic anion 2ΠuD∞h
89 Be2+ Beryllium diatomic cation 2ΣuD∞h
90 Mg2- magnesium diatomic anion 2ΠUD∞h
91 Mg2+ magnesium diatomic cation 2ΣuD∞h
92 B2 Boron diatomic 1ΣgD∞h
93 B2 Boron diatomic 5ΣuD∞h
94 B2- Boron diatomic anion 4ΣgD∞h
95 BAl Boron Aluminum 3ΣC∞v
96 BC- boron monocarbide anion 1Σg+C∞v
97 AlC Aluminum carbide 4ΣC∞v
98 C2 Carbon diatomic 3ΠuD∞h
99 C2- carbon diatomic anion 2ΣgD∞h
100 C2+ carbon diatomic cation 2ΠD∞h
101 SiC silicon monocarbide 3ΣC∞v
102 SiC silicon monocarbide 1ΣC∞v
103 C2H2+ acetylene cation 2ΠuD∞h
104 Si2H6 disilane 1EuD3d
105 BeN- Beryllium mononitride anion 1ΣC∞v
106 BN- boron nitride anion 2ΣC∞v
107 BN boron nitride 3ΠC∞v
108 BN boron nitride 1ΣC∞v
109 BN+ boron nitride cation 2ΠC∞v
110 AlN Aluminum nitride 3ΠiC∞v
111 CN- cyanide anion 1ΣC∞v
112 CN+ Cyano cation 1ΣC∞v
113 SiP Silicon monophosphide 2ΠC∞v
114 N2- nitrogen diatomic anion 2ΠgD∞h
115 P2 Phosphorus diatomic 1ΣgD∞h
116 HCN Hydrogen cyanide 1ΣC∞v
117 HCN+ hydrogen cyanide cation 2ΠC∞v
118 N2H2 (E)-diazene 1AgC2h
119 CH2PH Phosphaethene 1A'Cs
120 CH2NH2+ methyleneamine cation 1A1C2v
121 BH3PH3 borane phosphine   
122 LiO+ lithium oxide cation 3ΣC∞v
123 LiO+ lithium oxide cation 1ΣC∞v
124 LiS Lithium monosulfide 2ΠC∞v
125 NaO+ sodium oxide cation 3ΣC∞v
126 BeO- Beryllium monoxide anion 2ΣC∞v
127 BeO+ Beryllium monoxide cation 2ΠC∞v
128 MgO- magnesium oxide anion 2ΣC∞v
129 MgO+ magnesium oxide cation 2ΠC∞v
130 CaS Calcium sulfide 1ΣC∞v
131 BO- boron monoxide anion 1ΣC∞v
132 BO+ boron monoxide cation 1ΣC∞v
133 CO- carbon monoxide anion 2ΠC∞v
134 CO+ carbon monoxide cation 2ΣC∞v
135 GeO Germanium monoxide 1ΣC∞v
136 SiSe Silicon Monoselenide   
137 NO- nitric oxide anion 3ΣC∞v
138 NO- nitric oxide anion 1ΔC∞v
139 PO Phosphorus monoxide 2ΠC∞v
140 PS phosphorus sulfide 2ΣC∞v
141 O2- oxygen diatomic anion 2ΠD∞h
142 SO Sulfur monoxide 3ΣC∞v
143 SO Sulfur monoxide 1ΣC∞v
144 S2 Sulfur diatomic 3ΣgD∞h
145 S2+ sulfur diatomic cation 2ΠD∞h
146 Se2 Selenium diatomic 3ΣgD∞h
147 HO2 Hydroperoxy radical 2A"Cs
148 HSO+ Sulfur Monoxide, S-protonated   
149 SOH Sulfur Hydroxide   
150 SOH+ Sulfur Monoxide, protonated   
151 H2CO+ formaldehyde cation 2B2C2v
152 H2CS Thioformaldehyde 1A1C2v
153 H2CSe Selenoformaldehyde   
154 H2S2 Disulfane 1AC2
155 H2S2+ hydrogen disulfide cation 2BgC2h
156 CH2OH+ hydroxymethyl cation 1A'Cs
157 H2CSH+ Thioformaldehyde, protonated 1A'Cs
158 H2POH Phosphinous acid 1A1'CS trans
159 H2POH Phosphinous acid 1A1'CS cis
160 H3PO Phosphine oxide 1A1C3v
161 CH3SH Methanethiol 1A'Cs
162 CH3SH2+ protonated methylsulfide 1A'Cs
163 LiCl lithium chloride 1ΣC∞v
164 NaF- sodium fluoride anion 2ΣC∞v
165 NaF+ sodium fluoride cation 2ΣC∞v
166 LiF- lithium fluoride anion 2ΣC∞v
167 LiF+ lithium fluoride cation 2ΠC∞v
168 BeF- Beryllium monofluoride anion 1ΣC∞v
169 BeF+ Beryllium monofluoride cation 1ΣC∞v
170 MgF- magnesium fluoride anion 1ΣC∞v
171 MgF+ magnesium fluoride cation 1ΣC∞v
172 BF- Boron monofluoride anion 2ΠC∞v
173 BF+ Boron monofluoride cation 2ΣC∞v
174 AlCl Aluminum monochloride 1ΣC∞v
175 CF- carbon monofluoride anion 3ΣC∞v
176 CF- carbon monofluoride anion 1ΣC∞v
177 CF+ carbon monofluoride cation 1ΣC∞v
178 SiF silicon monofluoride 2ΠC∞v
179 SiF+ silicon monofluoride cation 1ΣC∞v
180 NF nitrogen fluoride 1ΣC∞v
181 NF- nitrogen monofluorine anion 2ΠC∞v
182 NF+ nitrogen monofluoirde cation 2ΠC∞v
183 NCl nitrogen monochloride 3ΣC∞v
184 FO- flourine oxide anion 1ΣC∞v
185 FO+ fluorine monoxide cation 3ΣC∞v
186 ClO Monochlorine monoxide 2ΠC∞v
187 SF Monosulfur monofluoride 2ΠC∞v
188 SF+ sulfur monofluoride cation 3ΣC∞v
189 SCl sulfur monochloride 2ΠC∞v
190 SCl+ sulfur monochloride cation 3ΣgC∞v
191 SBr Sulfur monobromide radical   
192 F2- flourine diatomic anion 2ΣuD∞h
193 F2+ flourine diatomic cation 2ΠgD∞h
194 ClF Chlorine monofluoride 1Σ+C∞v
195 Cl2- chlorine diatomic anion 2ΣuD∞h
196 Cl2+ chlorine diatomic cation 2ΠgD∞h
197 HOCl hypochlorous acid 1A'Cs
198 CH3Cl Methyl chloride 1A1C3v
199 SiH3Cl chlorosilane 1A1C1
200 Si3H8 trisilane   
201 Li2O dilithium oxide 1ΣgD∞h
202 Li2S dilithium sulfide 1ΣGD∞h
203 Li2S dilithium sulfide 1A1C2v
204 NNS Nitrogen sulfide 1ΣC∞v
205 OCS Carbonyl sulfide 1ΣC∞v
206 SiS2 Silicon disulfide 1ΣGD∞h
207 NSO sulfinyl amidogen   
208 SNO Nitrogen oxide sulfide   
209 O3 Ozone 1A1Cs
210 SO2 Sulfur dioxide 1A1C2v
211 S3 Sulfur trimer   
212 S3+ Sulfur trimer cation 2B2C2v
213 HOCO Hydrocarboxyl radical 1A'cis
214 HOCO Hydrocarboxyl radical 1A'trans
215 HCCOH ethynol 1A'Cs
216 CH2CS Thioketene   
217 HSSSH trisulfane 1AC2
218 HSSSH trisulfane 1A'Cs
219 C2H4S Thiirane 1A1C2v
220 CH3CHS Thioacetaldehyde 1A'C1
221 CH3SSH Hydrogen methyl disulfide   
222 CH3CH2SH ethanethiol 1A'Cs
223 FNS Thionitrosyl fluoride 1A'Cs
224 FSN Thiazyl fluoride 1A'Cs
225 OPCl Phosphorus oxychloride   
226 GeCl2 Germanium dichloride 1A1C2v
227 OClO Chlorine dioxide 2B1D∞h
228 ClSO Sulfur chloride oxide 2A"Cs
229 FClO chlorosyl fluoride 1A'Cs
230 ClOF Chlorine hypofluorite 1A'Cs
231 SF2 sulfur difluoride 1A1C2v
232 SCl2 Sulfur dichloride 1A1C2v
233 SeCl2 Selenium Dichloride   
234 SBr2 Sulfur dibromide   
235 SeBr2 Selenium dibromide   
236 CH2F2 Methane, difluoro- 1A1C2v
237 S2N2 Disulfur dinitride 1AGD2h
238 CS3-- Carbonotrithioate   
239 SO3 Sulfur trioxide 1A1'D3h
240 S4 Sulfur tetramer   
241 S4 Sulfur tetramer   
242 S4 Sulfur tetramer   
243 H3AlO3 Aluminum hydroxide   
244 CH3CSNH2 Ethanethioamide   
245 C2F2 difluoroacetylene 1ΣgD∞h
246 Cl2CS Thiophosgene 1A1C2v
247 AlF3 Aluminum trifluoride 1A1'D3h
248 ClO2F Chloryl fluoride 1A'Cs
249 F2SO Thionyl Fluoride 1A'Cs
250 SSCl2 Thiothionyl chloride   
251 SF3 Sulfur trifluoride 2A'Cs
252 ClF3 Chlorine trifluoride 1A1'D3h
253 ClF3 Chlorine trifluoride 1A1C2v
254 HClO3 Chloric Acid 1AC1
255 C2H6O2S Dimethyl sulfone 1A1C2v
256 CF2Cl2 difluorodichloromethane 1A1C2v
257 SF4 Sulfur tetrafluoride 1A1C2v
258 HClO4 perchloric acid 1ACs
259 SiH3CCl3 (trichloromethyl)silane 1A1C3v
260 SiF5- silicon pentafluoride anion   
261 SOF4 Sulfur tetrafluoride oxide 1A1C2v
262 PF5 Phosphorus pentafluoride 1A1'D3h
263 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
264 PF6- Hexafluorophosphate ion 1A1GOh
265 SF5Cl sulfur chloropentafluoride 1A1C4v
266 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 H2+ Hydrogen cation h2+  
5 He- Helium atom anion he-  
6 He+ Helium atom cation he+  
7 HeH Helium hydride heh  
8 Li Lithium atom li  
9 Li- Lithium atom anion li-  
10 Li+ Lithium atom cation li+  
11 Na Sodium atom na  
12 Na- Sodium atom anion na-  
13 Na+ Sodium atom cation na+  
14 K Potassium atom k  
15 K- Potassium atom anion k-  
16 K+ Potassium atom cation k+  
17 Cu Copper atom cu  
18 Cu- Copper atom anion cu-  
19 Cu+ Copper atom cation cu+  
20 LiH Lithium Hydride lih  
21 NaH sodium hydride nah  
22 KH Potassium hydride kh  
23 KH+ Potassium hydrogen cation kh+  
24 CuH Copper monohydride cuh  
25 Be Beryllium atom be  
26 Be- Beryllium atom anion be-  
27 Be+ Beryllium atom cation be+  
28 Mg Magnesium atom mg  
29 Mg- Magnesium atom anion mg-  
30 Mg+ Magnesium atom cation mg+  
31 Ca Calcium atom ca  
32 Ca- Calcium atom anion ca-  
33 Ca+ Calcium atom cation ca+  
34 Zn Zinc atom zn  
35 Zn- Zinc atom anion zn-  
36 Zn+ Zinc atom cation zn+  
37 BeH beryllium monohydride beh  
38 MgH magnesium monohydride mgh  
39 CaH Calcium monohydride cah  
40 CaH+ Calcium monohydride cation cah+  
41 TiH Titanium monohydride tih  
42 ZnH Zinc monohydride znh  
43 ZnH+ Zinc, protonated znh+  
44 BeH2 beryllium dihydride beh2  
45 BeH2+ Beryllium dihydride cation beh2+  
46 MgH2 magnesium dihydride mgh2  
47 CaH2 Calcium Hydride cah2  
48 ZnH2 Zinc hydride znh2  
49 B- Boron atom anion b-  
50 B+ Boron atom cation b+  
51 Al Aluminum atom al  
52 Al- Aluminum atom anion al-  
53 Al+ Aluminum atom cation al+  
54 Sc Scandium atom sc  
55 Sc+ Scandium cation sc+  
56 Ga Gallium atom ga  
57 Ga- Gallium atom anion ga-  
58 Ga+ Gallium atom cation ga+  
59 AlH aluminum monohydride alh  
60 AlH- aluminum monohydride anion alh-  
61 AlH+ aluminum monohydride cation alh+  
62 ScH Scandium monohydride sch  
63 ScH+ Scandium monohydride cation sch+  
64 GaH Gallium monohydride gah  
65 GaH+ Gallium monohydride cation gah+  
66 BH2- boron dihydride anion bh2-  
67 BH2+ Boron dihydride cation bh2+  
68 AlH2 aluminum dihydride alh2  
69 AlH2- aluminum dihydride anion alh2-  
70 AlH2+ aluminum dihydride cation alh2+  
71 BH3- boron trihydride anion bh3-  
72 AlH3- aluminum trihydride anion alh3-  
73 AlH3+ aluminum trihydride cation alh3+  
74 ScH3 Scandium trihydride sch3  
75 GaH3 Gallium trihydride gah3  
76 BH4 borohydride bh4  
77 BH4- borohydride anion bh4-  
78 AlH4- Aluminum tetrahydride anion alh4-  
79 C- Carbon atom anion c-  
80 C+ Carbon atom cation c+  
81 Si- Silicon atom anion si-  
82 Si+ Silicon atom cation si+  
83 Ti Titanium atom ti  
84 Ti- Titanium atom anion ti-  
85 Ti+ Titanium atom cation ti+  
86 Ge Germanium atom ge  
87 Ge- Germanium anion ge-  
88 Ge+ Germanium cation ge+  
89 Sn Tin atom sn  
90 Sn+ Tin cation sn+  
91 SiH Silylidyne sih  
92 SiH- silicon monohydride anion sih-  
93 SiH+ silicon monohydride cation sih+  
94 GeH germylidene geh  
95 GeH+ Germaniun monohyrdide cation geh+  
96 SiH2- silicon dihydride anion sih2-  
97 SiH2+ silicon dihydride cation sih2+  
98 GeH2 germylene geh2  
99 GeH2- germylene anion geh2-  
100 CH3+ methyl cation ch3+  
101 SiH3- Silyl anion sih3-  
102 SiH3+ Silyl cation sih3+  
103 GeH3 Germyl radical geh3  
104 GeH3+ germyl cation geh3+  
105 CD4 methane-d4 cd4  
106 CH2D2 methane-d2 ch2d2  
107 CH3D methane-d ch3d  
108 CH4- Methane anion ch4-  
109 CHD3 methane-d3 chd3  
110 SiH2D2 silane-d2 sih2d2  
111 SiH4+ Silane cation sih4+  
112 GeH4 Germane geh4  
113 SnH4 Stannane snh4  
114 SiH5+ Silane, protonated sih5+  
115 N Nitrogen atom n  
116 N- Nitrogen atom anion n-  
117 N+ Nitrogen atom cation n+  
118 P- Phosphorus atom anion p-  
119 P+ Phosphorus atom cation p+  
120 V Vanadium atom v  
121 V+ Vanadium atom cation v+  
122 As Arsenic atomic as  
123 As- Arsenic anion as-  
124 As+ Arsenic cation as+  
125 Sb Antimony atom sb  
126 PH phosphorus monohydride ph  
127 PH- phosphorus monohydride anion ph-  
128 PH+ phosphorus monohydride cation ph+  
129 AsH Arsenic monohydride ash  
130 AsH+ Arsenic monohydride cation ash+  
131 SbH Antimony monohydride sbh  
132 NH2+ Amino cation nh2+  
133 PH2 Phosphino radical ph2  
134 PH2- Phosphino anion ph2-  
135 PH2+ Phosphino cation ph2+  
136 AsH2 Arsenic dihydride ash2  
137 AsH2+ Arsenic dihydride cation ash2+  
138 NH3- Ammonia anion nh3-  
139 NH3+ ammonia cation nh3+  
140 PH3+ Phosphine cation ph3+  
141 AsH3 Arsine ash3  
142 AsH3+ Arsine cation ash3+  
143 SbH3 Stibine sbh3  
144 AsH4+ Arsonium ash4+  
145 NH4 Ammonium radical nh4  
146 NH4+ ammonium cation nh4+  
147 PH4 Phosphoranyl radical ph4  
148 O- Oxygen atom anion o-  
149 O+ Oxygen atom cation o+  
150 S- Sulfur atom anion s-  
151 S+ Sulfur atom cation s+  
152 Cr Chromium atom cr  
153 Se Selenium atom se  
154 Se- Selenium atom anion se-  
155 Se+ Selenium atom cation se+  
156 Te Tellurium atom te  
157 Te+ Tellurium atom cation te+  
158 DS Mercapto-d ds  
159 HS- mercapto anion sh-  
160 HS+ sulfur monohydride cation sh+  
161 CrH Chromium hydride crh  
162 CrH+ Chromium hydride cation crh+  
163 HSe Selenium monohydride hse  
164 HSe- selenium monohydride anion hse-  
165 HSe+ selenium monohydride cation hse+  
166 TeH Telluryl radical teh  
167 H2S- Hydrogen sulfide anion h2s-  
168 H2Se Hydrogen selenide h2se  
169 H2Se+ Hydrogen selenide cation h2se+  
170 H2Te Hydrogen Telluride h2te  
171 H3Se+ Hydrogen Selenide, protonated h3se+  
172 F- Fluorine atom anion f-  
173 F+ Fluorine atom cation f+  
174 Cl- Chlorine atom anion cl-  
175 Cl+ Chlorine atom cation cl+  
176 Mn Manganese atom mn  
177 Br Bromine atom br  
178 Br- Bromine atom anion br-  
179 Br+ Bromine atom cation br+  
180 I Iodine atom iodine  
181 I- Iodine atom anion iodine-  
182 I+ Iodine atom cation iodine+  
183 DCl Hydrochloric acid-d dcl  
184 HCl- hydrogen chloride anion hcl-  
185 HBr hydrogen bromide hbr  
186 HBr- hydrogen bromide anion hbr-  
187 HBr+ hydrogen bromide cation hbr+  
188 HI Hydrogen iodide hi  
189 HI+ Hydrogen iodide cation hi+  
190 H2F+ dihydrogen fluoride cation h2f+  
191 H2Br+ protonated hydrogen bromide h2br+  
192 H2I+ Iodonium h2i+  
193 Ne- Neon atom anion ne-  
194 Ne+ Neon atom cation ne+  
195 Ar Argon atom ar  
196 Ar- Argon atom anion ar-  
197 Ar+ Argon atom cation ar+  
198 Fe Iron atom fe  
199 Kr Krypton atom kr  
200 Kr+ Krypton cation kr+  
201 Xe Xenon atom xe  
202 HeLi+ Helium Lithium cation heli+  
203 NeH neon hydrogen neh  
204 ArH+ Argon hydride cation arh+  
205 KrH+ Protonated Krypton krh+  
206 XeH+ Xenon, protonated xeh+  
207 H2Ar H2 Ar dimer h2ar  
208 Co Cobalt atom cobalt  
209 Ni Nickel atom ni  
210 Li2 Lithium diatomic li2  
211 Li2+ lithium diatomic cation li2+  
212 LiK Lithium Potassium lik  
213 Na2 Sodium diatomic na2  
214 NaK Sodium Potassium nak  
215 NaK+ Sodium Potassium diatomic cation nak+  
216 K2 Potassium diatomic k2  
217 Cu2 Copper diatomic cu2  
218 LiBe Lithium Beryllium libe  
219 LiMg Lithium magnesium limg  
220 NaBe Sodium Beryllium nabe  
221 NaMg Sodium Magnesium namg  
222 Be2 Beryllium diatomic be2  
223 BeMg Beryllium Magnesium bemg  
224 Mg2 Magnesium diatomic mg2  
225 Ca2 Calcium diatomic ca2  
226 LiB Lithium boride lib  
227 LiAl Lithium Aluminum lial  
228 NaAl Sodium aluminum naal  
229 BeB Beryllium monoboride beb  
230 B2 Boron diatomic b2  
231 B2+ Boron diatomic cation b2+  
232 Al2 Aluminum diatomic al2  
233 Al2- aluminum diatomic anion al2-  
234 Al2+ aluminum diatomic cation al2+  
235 BGa Boron Gallium bga  
236 AlGa Aluminum Gallium alga  
237 Ga2 Gallium diatomic ga2  
238 HBBH Diborane(2) hbbh  
239 LiBH4 Lithium borohydride libh4  
240 B2H4 Diborane(4) D2d b2h4  
241 HBHHBH Diborane(4) C2V hbhhbh  
242 B2H6 Diborane b2h6  
243 B2H6+ Diborane cation b2h6  
244 Al2H6 dialane al2h6  
245 Ga2H6 digallane ga2h6  
246 LiC Lithium Carbide lic  
247 BeC Beryllium Carbide bec  
248 CaC Calcium monocarbide cac  
249 BC boron monocarbide bc  
250 BC- boron monocarbide anion bc-  
251 BC+ boron monocarbide cation bc+  
252 BSi Boron silicide bsi  
253 C2 Carbon diatomic c2  
254 C2+ carbon diatomic cation c2+  
255 SiC- silicon monocarbide anion sic-  
256 SiC+ silicon monocarbide cation sic+  
257 Si2 Silicon diatomic si2  
258 Si2- silcon diatomic anion si2-  
259 Si2+ silcon diatomic cation si2+  
260 GeC Germanium monocarbide gec  
261 SiGe Silicon Germanium sige  
262 Ge2 Germanium diatomic ge2  
263 C2H Ethynyl radical c2h  
264 ZnCH2 Zinc methylene znch2  
265 C2H2 Acetylene c2h2  
266 CCH2 vinylidene vinylidene  
267 H2CC- vinylidene anion h2cc-  
268 HCCH- acetylene anion c2h2-  
269 Si2H2 disilyne si2h2  
270 CH3Li methyl lithium ch3li  
271 CuCH3 monomethyl copper cuch3  
272 ZnCH3 Zinc monomethyl znch3  
273 CH2BH methyleneborane ch2bh  
274 C2H3 vinyl c2h3  
275 C2H3- vinyl anion c2h3-  
276 C2H4 Ethylene c2h4  
277 C2H4- Ethylene anion c2h4-  
278 CH2SiH2 silaethylene ch2sih2  
279 Si2H4 Disilene si2h4  
280 CH3BH2 methylborane ch3bh2  
281 C2H5 Ethyl radical c2h5  
282 C2H5- Ethyl anion c2h5-  
283 C2H5+ Ethyl cation c2h5+  
284 C2H6 Ethane c2h6  
285 C2H6+ ethane cation c2h6+  
286 CH3SiH3 methyl silane ch3sih3  
287 GeH3CH3 methyl germane geh3ch3  
288 C2H7+ Ethane, protonated c2h7+  
289 LiP Lithium monophosphide lip  
290 BeN Beryllium mononitride ben  
291 BeN+ Beryllium mononitride cation ben+  
292 MgN Magnesium Nitride mgn  
293 AlN- aluminum mononitride anion aln-  
294 AlN+ aluminum mononitride cation aln+  
295 BP Boron monophosphide bp  
296 AlP Aluminum monophosphide alp  
297 GaN Gallium mononitride gan  
298 GaP Gallium monophosphide gap  
299 GaAs Gallium arsenide gaas  
300 CN Cyano radical cn  
301 CP Carbon monophosphide cp  
302 CP- carbon monophosphide anion cp-  
303 CP+ carbon monophosphide cation cp+  
304 SiN Silicon nitride sin  
305 SiN- silicon mononitride anion sin-  
306 SiN+ silicon mononitride cation sin+  
307 SiP- Silicon monophosphide anion sip-  
308 SiP+ Silicon monophosphide cation sip+  
309 TiN Titanium mononitride tin  
310 N2 Nitrogen diatomic n2  
311 N2+ diatomic nitrogen cation n2+  
312 PN Phosphorus mononitride pn  
313 PN- phosphorus nitride anion pn-  
314 PN+ phosphorus nitride cation pn+  
315 P2- phosphorus diatomic anion p2-  
316 P2+ phosphorus diatomic cation p2+  
317 AsN Arsenic mononitride asn  
318 AsP Arsenic monophosphide asp  
319 SbN Antimony nitride sbn  
320 As2 Arsenic diatomic as2  
321 HNB hydrogen nitrogen boron hnb  
322 HNC hydrogen isocyanide hnc  
323 HCN- Hydrogen cyanide anion hcn-  
324 HNC+ hydrogen isocyanide cation hnc+  
325 HCP Phosphaethyne hcp  
326 HCP+ Phosphaethyne cation hcp+  
327 NNH Dinitrogen monohydride nnh  
328 NNH+ Dinitrogen monohydride cation nnh+  
329 HPO Hydrogen phosphorus oxide hpo  
330 HPO+ Hydrogen phosphorus oxide cation hpo+  
331 LiNH2 lithium amide linh2  
332 HBNH Boranimine hbnh  
333 CNH2 Aminomethylidyne radical cnh2  
334 CNH2+ N-protonated hydrogen isocyanide cnh2+  
335 H2CN Dihydrogen cyanide radical h2cn  
336 H2CN+ hydrocyanonium cation h2cn+  
337 HCNH methyleneazane hcnh  
338 HCNH+ N-protonated HCN hcnh+  
339 H2NN Isodiazene h2nn  
340 N2H2 (Z)-Diazene n2h2z  
341 N2H2+ trans-diazene cation n2h2+  
342 CH2NH Methanimine ch3n  
343 CH2NH+ Methanimine cation ch2nh+  
344 CHNH2 aminomethylene chnh2  
345 CHNH2+ Aminocarbene cation chnh2+  
346 BH2NH2 Boranamine bh2nh2  
347 N2H4 Hydrazine n2h4  
348 N2H4+ hydrazine cation n2h4+  
349 P2H4 Diphosphine p2h4  
350 CH3NH2 methyl amine ch3nh2  
351 CH3NH2+ methyl amine cation ch3nh2+  
352 CH3PH2 Methyl phosphine ch3ph2  
353 SiH3NH2 Silane, amino sih3nh2  
354 N2H5+ protonated hydrazine n2h5+  
355 BH3NH3 borane ammonia bh3nh3  
356 CH3NH3 methyl ammonium radical ch3nh3  
357 CH3NH3+ protonated methylamine ch3nh3+  
358 CH3PH3+ methyl phosphine, protonated ch3ph3+  
359 NH3NH3 Ammonia Dimer nh3nh3  
360 N2H7+ ammonia ammonium dimer n2h7+  
361 LiO lithium oxide lio  
362 LiO- lithium oxide anion lio-  
363 LiS+ Lithium sulfide cation lis+  
364 NaO sodium monoxide nao  
365 NaO- sodium oxide anion nao-  
366 KO Potassium monoxide ko  
367 KO+ Potassium monoxide cation ko+  
368 NaS Sodium sulfide nas  
369 CuO Copper Monoxide cuo  
370 LiSe Lithium monoselenide lise  
371 BeO beryllium oxide beo  
372 BeS beryllium sulfide bes  
373 MgO magnesium oxide mgo  
374 CaO Calcium monoxide cao  
375 MgS magnesium sulfide mgs  
376 MgS- magnesium sulfide anion mgs-  
377 MgS+ magnesium sulfide cation mgs+  
378 ZnO zinc monoxide zno  
379 ZnS Zinc sulfide zns  
380 BeS- Beryllium monosulfide anion bes-  
381 BeS+ Beryllium monosulfide cation bes+  
382 BO boron monoxide bo  
383 AlO Aluminum monoxide alo  
384 AlO- Aluminum monoxide anion alo-  
385 AlO+ aluminum monoxide cation alo+  
386 BS boron sulfide bs  
387 BS- boron monosulfide anion bs-  
388 BS+ boron monosulfide cation bs+  
389 AlS Aluminum sulfide als  
390 AlS- aluminum monosulfide anion als-  
391 AlS+ aluminum monosulfide cation als+  
392 ScO Scandium monoxide sco  
393 GaO Gallium monoxide gao  
394 GaS Gallium monosulfide gas  
395 CO Carbon monoxide co  
396 CS carbon monosulfide cs  
397 CS- carbon monosulfide anion cs-  
398 CS+ carbon monosulfide cation cs+  
399 SiO Silicon monoxide sio  
400 SiO- silicon monoxide anion sio-  
401 SiO+ silicon monoxide cation sio+  
402 SiS silicon monosulfide sis  
403 SiS- silicon monosulfide anion sis-  
404 SiS+ silicon monosulfide cation sis+  
405 TiO Titanium monoxide tio  
406 CSe Carbon monoselenide cse  
407 CSe- Carbon monoselenide anion cse-  
408 CSe+ Carbon monoselenide cation cse+  
409 GeO+ Germanium monoxide cation geo+  
410 GeS Germanium monosulfide ges  
411 SiSe+ Silicon Monoselenide cation sise+  
412 GeSe Germanium monoselenide gese  
413 NO Nitric oxide no  
414 NS Mononitrogen monosulfide ns  
415 NS- nitrogen sulfide anion ns-  
416 NS+ nitrogen sulfide cation ns+  
417 PO- phosphorus monoxide anion po-  
418 PO+ phosphorus monoxide cation po+  
419 PS- phosphorus monosulfide anion ps-  
420 PS+ phosphorus monosulfide cation ps+  
421 VO Vanadium monoxide vo  
422 AsO Arsenic monoxide aso  
423 NSe Nitrogen monoselenide nse  
424 AsS Arsenic monosulfide ass  
425 PSe Phosphorus monoselenide pse  
426 AsSe Arsenic monoselenide asse  
427 O2 Oxygen diatomic o2  
428 O2-- dioxygen dianion o2--  
429 O2+ diatomic oxygen cation o2+  
430 SO- sulfur monoxide anion so-  
431 SO+ sulfur monoxide cation so+  
432 S2- sulfur diatomic anion s2-  
433 SeO Selenium monoxide seo  
434 SeO- selenium monoxide anion seo-  
435 SeO+ selenium monoxide cation seo+  
436 SeS Selenium monosulfide ses  
437 SeS- selenium monosulfide anion ses-  
438 SeS+ selenium monosulfide cation ses+  
439 TeO Tellurium monoxide teo  
440 Se2- selenium diatomic anion se2-  
441 Se2+ selenium diatomic cation se2+  
442 Te2 Tellurium diatomic te2  
443 LiOH lithium hydroxide lioh  
444 NaOH sodium hydroxide naoh  
445 KOH Potassium hydroxide koh  
446 BeOH beryllium monohydroxide beoh  
447 MgOH magnesium hydroxide mgoh  
448 CaOH Calcium monohydroxide caoh  
449 HBO Boron hydride oxide hbo  
450 HBS hydrogen boron sulfide hbs  
451 COH Hydroxymethylidyne coh  
452 COH+ Carbon Monoxide, protonated coh+  
453 HCO Formyl radical hco  
454 HCO- formyl anion hco-  
455 HCS Thioformyl radical hcs  
456 HCS- Thioformyl anion hcs-  
457 HCS+ Thioformyl cation hcs+  
458 HNO Nitrosyl hydride hno  
459 NOH Hydroxyimidogen noh  
460 NOH+ O-protonated nitric oxide noh+  
461 HNS Sulfur imide hns  
462 HNS- Sulfur imide anion hns-  
463 HO2+ Hydroperoxy cation ho2+  
464 HS2 Thiosulfeno radical hs2  
465 H2CO Formaldehyde h2co  
466 H2CO- formaldehyde anion h2co-  
467 HOCH hydroxycarbene hoch  
468 H2CS- thioformaldehyde anion h2cs-  
469 H2CS+ thioformaldehyde cation h2cs+  
470 H2NO nitroxide h2no  
471 H2O2 Hydrogen peroxide h2o2  
472 H2O2+ Hydrogen peroxide cation h2o2+  
473 H2OO water oxide h2oo  
474 HOSH hydrogen thioperoxide hosh  
475 H2Se2 hydrogen diselenide h2se2  
476 CH2OH Hydroxymethyl radical ch2oh  
477 CH3O Methoxy radical ch3o  
478 CH3O- methoxy anion ch3o-  
479 CH3O+ Methoxy cation ch3o+  
480 CH3S thiomethoxy ch3s  
481 NH2OH hydroxylamine nh2oh  
482 NH2OH+ Hydroxylamine cation nh2oh+  
483 NH3O Ammonia Oxide nh3o  
484 NH2SH Thiohydroxylamine nh2sh  
485 NH3S sulfidoazane nh3s  
486 H3O2+ hydrogen peroxide, protonated h3o2+  
487 CH3OH Methyl alcohol ch3oh  
488 CH3OH- Methyl alcohol anion ch3oh-  
489 CH3OH+ Methyl alcohol cation ch3oh+  
490 CH3SH+ Methanethiol cation ch3sh+  
491 SiH3OH silanol sih3oh  
492 CH3SeH Methane selenol ch3seh  
493 NH2OH2+ protonated hydroxylamine nh2oh2+  
494 NH3OH+ N-protonated hydroxylamine nh3oh+  
495 H2OH2O water dimer h2oh2o  
496 CH3OH2+ Methanol, protonated ch3oh2+  
497 H2ONH3 Water Ammonia Dimer h2onh3  
498 H5O2+ Dihydroxonium ion h5o2+  
499 LiF lithium fluoride lif  
500 LiCl- lithium chloride anion licl-  
501 LiCl+ lithium chloride cation licl+  
502 NaF sodium fluoride naf  
503 KF Potassium Fluoride kf  
504 NaCl Sodium Chloride nacl  
505 NaCl- sodium chloride anion nacl-  
506 NaCl+ sodium chloride cation nacl+  
507 KCl Potassium Chloride kcl  
508 CuF Copper monofluoride cuf  
509 LiBr Lithium Bromide libr  
510 LiBr- lithium bromide anion libr-  
511 LiBr+ lithium bromide cation libr+  
512 CuCl Copper monochloride cucl  
513 NaBr Sodium Bromide nabr  
514 NaBr- sodium bromide anion nabr-  
515 NaBr+ sodium bromide cation nabr+  
516 KBr Potassium Bromide kbr  
517 LiI Lithium Iodide lii  
518 NaI Sodium Iodide nai  
519 KI Potassium Iodide ki  
520 BeF Beryllium monofluoride bef  
521 BeCl beryllium monochloride becl  
522 MgF Magnesium monofluoride mgf  
523 CaF Calcium monofluoride caf  
524 MgCl magnesium monochloride mgcl  
525 MgCl- magnesium monochloride anion mgcl-  
526 MgCl+ magnesium monochloride cation mgcl+  
527 CaCl calcium monochloride cacl  
528 TiCl Titanium Monochloride ticl  
529 ZnF Zinc monofluoride znf  
530 ZnF- Zinc monofluoride anion znf-  
531 ZnF+ Zinc monofluoride cation znf+  
532 ZnCl Zinc monochloride zncl  
533 CaBr Calcium monobromide cabr  
534 BeCl- beryllium monochloride anion becl-  
535 BeCl+ beryllium monochloride cation becl+  
536 BF Boron monofluoride bf  
537 AlF Aluminum monofluoride alf  
538 AlF- Aluminum monofluoride anion alf-  
539 AlF+ Aluminum monofluoride cation alf+  
540 BCl boron monochloride bcl  
541 BCl- boron monochloride anion bcl-  
542 BCl+ boron monochloride cation bcl+  
543 AlCl- aluminum monochloride anion alcl-  
544 AlCl+ aluminum monochloride cation alcl+  
545 ScF Scandium monofluoride scf  
546 BBr Boron monobromide bbr  
547 GaF Gallium monofluoride gaf  
548 GaF+ Gallium monofluoride cation gaf+  
549 AlBr Aluminum monobromide albr  
550 GaCl Gallium monochloride gacl  
551 GaCl+ Gallium monochloride cation gacl+  
552 AlI Aluminum monoiodide ali  
553 GaBr Gallium monobromide gabr  
554 CF Fluoromethylidyne cf  
555 CCl carbon monochloride ccl  
556 CCl- carbon monochloride anion ccl-  
557 CCl+ carbon monochloride cation ccl+  
558 SiF- silicon monofluoride anion sif-  
559 SiCl Clorosilylidyne sicl  
560 SiCl- silicon monochloride anion sicl-  
561 SiCl+ silicon monochloride cation sicl+  
562 CBr Carbon monobromide cbr  
563 GeF Germanium monofluoride gef  
564 GeF+ Germanium monofluoride cation gef+  
565 GeCl Germanium monochloride gecl  
566 GeCl+ Germanium monochloride cation gecl+  
567 SiBr Silicon monobromide sibr  
568 SiBr+ Silicon monobromide cation sibr+  
569 NF nitrogen fluoride nf  
570 NCl- nitrogen monochloride anion ncl-  
571 NCl+ nitrogen monochloride cation ncl+  
572 PF phosphorus monofluoride pf  
573 PF- phosphorus monofluoride anion pf-  
574 PF+ phosphorus monofluoride cation pf+  
575 PCl phosphorus chloride pcl  
576 PCl- phosphorus monochloride anion pcl-  
577 PCl+ phosphorus monochloride cation pcl+  
578 AsF Arsenic monofluoride asf  
579 NBr nitrogen monobromide nbr  
580 AsCl Arsenic monochloride ascl  
581 PBr Phosphorus monobromide pbr  
582 SbF Antimony monofluoride sbf  
583 SbCl Antimony monochloride sbcl  
584 FO Oxygen monofluoride fo  
585 ClO- chlorine monoxide anion clo-  
586 ClO+ chlorine monoxide cation clo+  
587 SF- sulfur monofluoride anion sf-  
588 SCl- sulfur monochloride anion scl-  
589 BrO Bromine monoxide bro  
590 BrO- Bromine monoxide anion bro-  
591 BrO+ Bromine monoxide cation bro+  
592 SeF Selenium monofluoride sef  
593 SBr+ Sulfur monobromide cation sbr+  
594 SeCl Selenium monochloride secl  
595 IO Iodine monoxide io  
596 SeBr Selenium monobromide sebr  
597 BrCl Bromine monochloride brcl  
598 F2 Fluorine diatomic f2  
599 ClF- clorine monofluoride anion clf-  
600 ClF+ clorine monofluoride cation clf+  
601 Cl2 Chlorine diatomic cl2  
602 BrF Bromine monofluoride brf  
603 BrF- bromine fluoride anion brf-  
604 BrF+ bromine fluoride cation brf+  
605 BrCl- bromine chloride anion brcl-  
606 BrCl+ bromine chloride cation brcl+  
607 IF Iodine monofluoride if  
608 Br2 Bromine diatomic br2  
609 Br2- bromine diatomic anion br2-  
610 Br2+ bromine diatomic cation br2+  
611 ICl Iodine monochloride icl  
612 IBr Iodine monobromide ibr  
613 I2 Iodine diatomic i2  
614 I2+ Iodine diatomic cation i2+  
615 HCF Fluoromethylene hcf  
616 HCCl Chloromethylene hccl  
617 HSiF fluorosilylene hsif  
618 HSiCl Chlorosilylene hsicl  
619 HSiBr monobromosilylene hsibr  
620 CHBr bromomethylene chbr  
621 HOF Hypofluorous acid hfo  
622 DOCl Hypochlorous acid-d docl  
623 HOCl+ hypochlorous acid cation hocl+  
624 HOBr Hypobromous acid hobr  
625 HOBr+ Hypobromous acid cation hobr+  
626 HOI Hypoiodous acid hoi  
627 F2H+ Fluorine, protonated f2h+  
628 FHF Hydrogen difluoride fhf  
629 FHF- Hydrogen difluoride anion fhf-  
630 ClFH+ Chlorine fluoride, F-protonated clfh+  
631 FClH+ Chlorine fluoride, Cl-protonated fclh+  
632 Cl2H+ Chlorine, protonated cl2h+  
633 CH2Br bromomethyl radical ch2br  
634 CH2F fluoromethyl radical ch2f  
635 CH2F+ fluoromethyl cation ch2f+  
636 CH2Cl+ chloromethyl cation ch2cl+  
637 CH2Cl chloromethyl radical ch2cl  
638 NH2Cl chloramine nh2cl  
639 H2F2 Hydrogen fluoride dimer h2f2  
640 CH3F+ methyl fluoride cation ch3f+  
641 CD3F methylfluoride-d3 cd3f  
642 CH3F Methyl fluoride ch3f  
643 CD3Cl methyl chloride d3 cd3cl  
644 CH3Cl+ Methyl chloride cation ch3cl+  
645 SiH3F monofluorosilane sih3f  
646 CH3Br methyl bromide ch3br  
647 GeH3F monofluorogermane geh3f  
648 GeH3Cl monochlorogermane geh3cl  
649 SiH3Br bromosilane sih3br  
650 CH3I methyl iodide ch3i  
651 SiH3I Silyl Iodide sih3i  
652 NH3Cl+ protonated monochloroammonia nh3cl+  
653 CH3ClH+ methyl chloride, protonated ch3clh+  
654 NH4Cl Ammonium chloride nh4cl  
655 LiNe+ Lithium Neon cation line+  
656 Ne2 Neon diatomic ne2  
657 Ne2+ Neon diatomic cation ne2+  
658 Ar2 Argon diatomic ar2  
659 Ar2+ Argon diatomic cation ar2+  
660 Li3 Lithium trimer li3  
661 Li3+ Lithium trimer cation li3+  
662 C3 carbon trimer c3  
663 SiC2 Silicon dicarbide sic2  
664 C3H3 cyclopropenyl radical cpr  
665 C3H3 Propargyl radical propargyl  
666 C3H3- Propargyl anion c3h3-  
667 C3H4 cyclopropene cprop  
668 CH2CCH2 allene allene  
669 CH3CCH propyne propyne  
670 C3H5 Allyl radical allyl  
671 C3H5+ Allyl cation allyl+  
672 CH3CHCH 1-propenyl radical ch3chch  
673 Zn(CH3)2 dimethyl zinc dmz  
674 C3H6 Cyclopropane c3h6  
675 CH2CHCH3 Propene propene  
676 C3H7 n-Propyl radical npropyl  
677 C3H7+ cyclopropane, protonated c3h7+  
678 CH3CHCH3 Isopropyl radical isopropyl  
679 CH3CHCH3+ Isopropyl cation prop2yl+  
680 C3H8 Propane propane  
681 SiH2(CH3)2 dimethylsilane dms  
682 LiCN lithium cyanide licn  
683 NaCN Sodium Cyanide nacn  
684 KCN Potassium cyanide kcn  
685 CuCN Copper cyanide cucn  
686 ZnCN Zinc monocyanide zncn  
687 ZnNC Zinc isocyanide znnc  
688 AlCN Aluminum monocyanide alcn  
689 AlNC Aluminum isocyanide alnc  
690 CN2 3H-Diazirin-3-ylidene cn2  
691 CNN Diazocarbene cnn  
692 NCN Cyanoimidogen ncn  
693 N3 azide radical n3  
694 N3- azide anion n3-  
695 N3+ azide cation n3+  
696 HCCN cyanomethylene hccn  
697 HCNN diazomethyl radical hcnn  
698 HN3 hydrogen azide hn3  
699 HN3+ Hydrazoic acid cation hn3+  
700 HNCNH diiminomethane hncnh  
701 CH2N2 diazirine ch2n2  
702 CH2NN diazomethane ch2nn  
703 NH2CN cyanamide cyanamide  
704 HNNNH+ 1,2-Triazadienium n2h3+  
705 NH2NN+ hydrazoic acid, protonated nh2nn+  
706 CH3CN Acetonitrile ch3cn  
707 CH3CN- acetonitrile anion ch3cn-  
708 CH3CN+ Acetonitrile cation ch3cn+  
709 CH3NC methyl isocyanide ch3nc  
710 CHNCH2 2H-Azirine c157164  
711 CHNHCH 1H-Azirine chnhch  
712 H2CCNH Ethenimine ch2cnh  
713 H2CNCH methyleneaminomethylene ch2nch  
714 HCCNH2 Ethynamine hccnh2  
715 HCNCH2+ 2H-Azirine cation hcnch2+  
716 HNCNH2+ diiminomethane, protonated hncnh2+  
717 NCNH3+ Cyanamide, protonated ncnh3+  
718 NH2CNH+ cyanamide, cn protonated nh2cnh+  
719 NH3CN+ cyanamide, amine protonated nh3cn+  
720 CH2CHNH vinylazine ch2chnh  
721 CH3CHN methylmethaniminyl radical ch3chn  
722 NHCHNH2 aminomethanimine cn2h4  
723 C2H5N Aziridine c2h5n  
724 CH2CHNH2 aminoethene aminoethene  
725 CH2NCH3 N-methylmethanimine nmm  
726 CH3CHNH ethanimine ethanimine  
727 NH2BHNH2 diaminoborane nh2bhnh2  
728 C2H5NH+ Protonated Aziridine c2h5nh+  
729 C2H6N+ aziridine, protonated c2h6n+  
730 NH2CH2NH2 diaminomethane nh2ch2nh2  
731 CH3CH2NH2 Ethylamine etam  
732 CH3NHCH3 Dimethylamine ch3nhch3  
733 CH3PHCH3 dimethylphosphine ch3phch3  
734 NH2CH2NH3+ diaminoethane, protonated pdam  
735 (CH3)2NH2+ dimethylammonium cation dmam  
736 CH3CH2NH3+ ethylamine, protonated pea  
737 Na2O disodium monoxide na2o  
738 Na2S Sodium sulfide na2s  
739 LiO2 Lithium dioxide lio2  
740 NaO2 Sodium superoxide nao2  
741 CCO Dicarbon monoxide cco  
742 CNO- fulminate cno-  
743 NCO isocyanato radical nco  
744 NCO- cyanate nco-  
745 SCN thiocyanato radical scn  
746 SCN- thiocyanide anion scn-  
747 BO2 Boron dioxide bo2  
748 BO2+ Boron dioxide cation bo2+  
749 N2O Nitrous oxide n2o  
750 N2O- Nitrous oxide anion n2o-  
751 PPO Phosphorus oxide phosphide ppo  
752 CO2 Carbon dioxide co2  
753 OCS+ Carbonyl sulfide cation cos+  
754 SiO2 silicon dioxide sio2  
755 CS2 Carbon disulfide cs2  
756 CS2- Carbon disulfide anion cs2-  
757 CS2+ Carbon disulfide cation cs2+  
758 TiO2 Titanium dioxide tio2  
759 GeO2 Germanium dioxide geo2  
760 OCSe Carbonyl selenide ocse  
761 SCSe Carbon sulfide selenide scse  
762 GeS2 Germanium disulfide ges2  
763 CSe2 Carbon diselenide cse2  
764 SCTe Carbon sulfide Telluride scte  
765 NO2 Nitrogen dioxide no2  
766 PO2 Phosphorus dioxide po2  
767 PO2- Phosphorus dioxide anion po2-  
768 PO2+ Phosphorus dioxide cation po2+  
769 AsO2 Aresenic dioxide aso2  
770 SO2- Sulfur dioxide anion so2-  
771 SO2+ Sulfur dioxide cation so2+  
772 SSO Disulfur monoxide sso  
773 S3- Sulfur trimer anion s3-  
774 SeO2 Selenium dioxide seo2  
775 SeO2+ Selenium dioxide cation seo2+  
776 TeO2 Tellurium Dioxide teo2  
777 HCCO ketenyl radical ketenyl  
778 CS2H+ Carbon disulfide, protonated cs2h+  
779 HCNO fulminic acid hcno  
780 HNCO Isocyanic acid hnco  
781 HOCN cyanic acid hocn  
782 HNCS Isothiocyanic acid hncs  
783 HSCN thiocyanic acid hscn  
784 HCO2- formate anion hco2-  
785 HNNO nitrosoazane hnno  
786 HNNO+ Nitrous oxide, N-protonated hnno+  
787 NNOH+ Nitrous Oxide, O-protonated nnoh+  
788 HCOO formate neutral radical hcoo  
789 HNO2 Nitrous acid hno2  
790 O3H+ protonated ozone o3h+  
791 SO2H+ protonated sulfur dioxide so2h+  
792 C2H2O Oxirene oxirene  
793 CH2CO Ketene ch2co  
794 Be(OH)2 Beryllium hydroxide beo2h2  
795 Mg(OH)2 Magnesium dihydroxide h2mgo2  
796 NH2NO Nitrosamide nh2no  
797 CH2O2 Dioxirane diox  
798 H2COO Dioxymethyl radical h2coo  
799 H2COO+ dioxymethyl cation h2coo+  
800 HCOOH Formic acid ch2o2  
801 H2O3 Hydrogen trioxide h2o3  
802 NaOCH3 Sodium methoxide naoch3  
803 CH2BOH hydroxy(methylene)borane ch2boh  
804 BH3CO Borane carbonyl bh3co  
805 CH3BO Borane, methyloxo- ch3bo  
806 CH2CHO Vinyloxy radical ch2cho  
807 CH2COH+ ketene, protonated ch2coh+  
808 CH3CO Acetyl radical ch3co  
809 CH3CO- Acetyl anion ch3co-  
810 CH3CO+ acetyl cation ch3co+  
811 CH2NOH formaldoxime ch2noh  
812 CH3NO nitrosomethane ch3no  
813 CHONH2 formamide formamide  
814 CNOH3 1,2-oxaziridine cnoh3  
815 HOCHNH hydroxymethylimine hochnh  
816 CHSNH2 thioformamide chsnh2  
817 NHCHSH Methanimidothioic acid nhchsh  
818 CH2OOH CH2OOH radical ch2ooh  
819 CH3OO methylperoxy radical ch3oo  
820 CH3OO- methylperoxy anion ch3oo-  
821 CH3OO+ methylperoxy cation ch3oo+  
822 C2H4O Ethylene oxide c2h4o  
823 C2H4O+ ethylene oxide cation c2h4o+  
824 CH2CHOH ethenol ch2choh  
825 CH3CHO Acetaldehyde ch3cho  
826 CH3CHO+ acetaldehyde cation ch3cho+  
827 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
828 CH2CHSH Ethenethiol ch2chsh  
829 H2CONH2+ protonated formamide h2conh2+  
830 NH2CHOH+ Formamide, O-protonated nh2choh+  
831 NH3CHO+ Formamide, N-Protonated nh3cho+  
832 CH2(OH)2 methanediol ch2o2h2  
833 CH3OOH Methyl peroxide ch3ooh  
834 HSCH2SH Methanedithiol ch4s2  
835 H2OH2CO water formaldehyde dimer h2oh2co  
836 C2H4OH+ ethylene oxide, protonated c2h4oh+  
837 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
838 CH3CH2O Ethoxy radical ethoxy  
839 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
840 CH3CHOH+ acetaldehyde, protonated ch3choh+  
841 CH3OCH2 methoxymethyl radical ch3och2  
842 NH2CH2OH aminomethanol nh2ch2oh  
843 CH3CH2OH Ethanol etoh  
844 CH3OCH3 Dimethyl ether meome  
845 CH3SCH3 Dimethyl sulfide mesme  
846 CH3SCH3+ dimethyl sulfide cation mesme+  
847 CH3SeCH3 dimethylselenide dmse  
848 CH3OHH2O methanol water dimer ch3ohh2o  
849 H2OCH3OH water methanol dimer h2och3oh  
850 CuF2 Copper difluoride cuf2  
851 ZnF2 Zinc difluoride znf2  
852 CNF iso cyanogen fluoride cnf  
853 FCN Cyanogen fluoride fcn  
854 ClCN chlorocyanogen clcn  
855 BrCN Cyanogen bromide brcn  
856 ICN Cyanogen iodide icn  
857 FBO Boron monofluoride monoxide fbo  
858 BeF2 Beryllium fluoride bef2  
859 MgF2 Magnesium fluoride mgf2  
860 BeCl2 Beryllium chloride becl2  
861 MgCl2 Magnesium dichloride mgcl2  
862 CaCl2 Calcium Chloride cacl2  
863 ZnCl2 Zinc dichloride zncl2  
864 BeBr2 Beryllium bromide bebr2  
865 CaBr2 Calcium dibromide cabr2  
866 CaF2 Calcium difluoride caf2  
867 FCO Carbonyl fluoride fco  
868 FCO+ Carbonyl fluoride cation fco+  
869 ClCO carbonyl monochloride clco  
870 BF2 Boron difluoride radical bf2  
871 FNO Nitrosyl fluoride fno  
872 ClNO Nitrosyl chloride clno  
873 BrNO Nitrosyl bromide brno  
874 INO Nitrosyl iodide ino  
875 CF2 Difluoromethylene cf2  
876 CFCl chlorofluoromethylene cfcl  
877 SiF2 Silicon difluoride sif2  
878 SiF2+ Silicon difluoride cation sif2+  
879 CCl2 dichloromethylene ccl2  
880 CCl2- dichloromethylene anion ccl2-  
881 CCl2+ dichloromethylene cation ccl2+  
882 SiCl2 Dichlorosilylene sicl2  
883 GeF2 Germanium difluoride gef2  
884 CBr2 dibromomethylene cbr2  
885 FOO Dioxygen monofluoride radical foo  
886 FOO+ Fluorine dioxide cation foo+  
887 ClOO chloroperoxy radical cloo  
888 ClOO+ chloroperoxy cation cloo+  
889 OClO- Chlorine dioxide anion oclo-  
890 OClO+ Chlorine dioxide cation oclo+  
891 ClS2 Sulfur chloride cls2  
892 BrOO Bromine dioxide broo  
893 OBrO Bromine dioxide radical obro  
894 NF2 Difluoroamino radical nf2  
895 PF2 Phosphorus difluoride pf2  
896 PF2+ Phosphorus difluoride cation pf2+  
897 F2O Difluorine monoxide f2o  
898 SF2- sulfur difluoride anion sf2-  
899 SF2+ sulfur difluoride cation sf2+  
900 Cl2O Dichlorine monoxide cl2o  
901 SeF2 Selenium difluoride sef2  
902 BrOCl Bromine hypochlorite brocl  
903 BrOBr Bromine oxide brobr  
904 F3- trifluoride anion f3-  
905 Cl3- trichloride anion cl3-  
906 Br3- tribromide anion br3-  
907 I3- triiodide i3-  
908 SFCl Sulfur chloride fluoride sfcl  
909 HCCF Fluoroacetylene hccf  
910 HCCF+ fluoroacetylene cation hccf+  
911 HCCCl Chloroacetylene hcccl  
912 HCCBr bromoacetylene hccbr  
913 HFCO formyl fluoride hfco  
914 HFCO+ formyl fluoride cation hfco+  
915 COHCl Formyl chloride cohcl  
916 COHBr Formyl bromide cohbr  
917 BHF2 Difluoroborane bhf2  
918 BHCl2 Borane, dichloro- bhcl2  
919 CHCl2 dichloromethyl radical chcl2  
920 CHF2 difluoromethyl radical chf2  
921 CHF2+ difluoromethyl cation chf2+  
922 CHFCl Chlorofluoromethyl radical chfcl  
923 CHFCl+ Chlorofluoromethyl cation chfcl+  
924 CHCl2+ dichloromethyl cation chcl2+  
925 CHBr2 dibromomethyl radical chbr2  
926 HOClO Chlorous acid hoclo  
927 NHF2 difluoramine nhf2  
928 NHCl2 dichloroamine nhcl2  
929 CH2FCl fluorochloromethane ch2fcl  
930 SiH2F2 difluorosilane sih2f2  
931 CH2Cl2 Methylene chloride ch2cl2  
932 CH2BrF Methane, bromofluoro- ch2fbr  
933 CH2BrCl Methane, bromochloro- ch2clbr  
934 CH2FI fluoroiodomethane ch2fi  
935 CH2Br2 dibromomethane ch2br2  
936 CH2ClI chloroiodomethane ch2cli  
937 CH2BrI bromoiodomethane ch2bri  
938 CH2I2 Diiodomethane ch2i2  
939 SiH2Cl2 dichlorosilane sih2cl2  
940 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
941 CH2CHF Ethene, fluoro- ch2chf  
942 CH2CHF+ fluoroethene cation ch2chf+  
943 C2H3Cl Ethene, chloro- ch2chcl  
944 C2H3Br vinyl bromide c2h3br  
945 C2H3I Vinyl iodide c2h3i  
946 CH2FOH fluoromethanol ch2foh  
947 CH3OCl methyl hypochlorite ch3ocl  
948 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
949 CHClCH3 1-chloroethyl radical chclch3  
950 C2H5F fluoroethane c2h5f  
951 CH3CH2Cl Ethyl chloride c2h5cl  
952 CH3SiFH2 fluoromethylsilane ch3sifh2  
953 C2H5Br Ethyl bromide etbr  
954 C2H5I Ethyl iodide c2h5i  
955 KrF2 Krypton difluoride krf2  
956 XeF2 Xenon difluoride xef2  
957 B4H10 Tetraborane(10) b4h10  
958 C4 Carbon tetramer c4  
959 C4+ Carbon tetramer cation c4+  
960 C4H2 Diacetylene c4h2  
961 C4H2+ diacetlyene cation c4h2+  
962 C2H3CCH 1-Buten-3-yne c2h3cch  
963 C4H4 cyclobutadiene cbd  
964 C4H4 Tetrahedrane c4h4  
965 H2CCCCH2 Butatriene h2cccch2  
966 C4H6 1-Methylcyclopropene c3100047  
967 C4H6 Cyclobutene c822355  
968 C4H6 Methylenecyclopropane c6142730  
969 CH2CCHCH3 1,2-Butadiene butad12  
970 CH2CHCHCH2 1,3-Butadiene c106990  
971 CH3CCCH3 2-Butyne c503173  
972 CHCCH2CH3 1-Butyne c107006  
973 CH3CHCHCH2 methylallyl radical c4h7  
974 C4H8 methylcyclopropane mcp  
975 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
976 CH2CHCH2CH3 1-Butene bute1  
977 CH3CHCHCH3 2-Butene, (E)- bute2e  
978 CH3CHCHCH3 2-Butene, (Z)- bute2z  
979 B(CH3)3 trimethylborane bme3  
980 Al(CH3)3 trimethyl aluminum tma  
981 C(CH3)3 Tert-butyl radical tbutyl  
982 CH2CH(CH3)2 Isobutyl radical isobutyl  
983 CH3CHCH2CH3 2-Butyl radical butyl2  
984 CH3CH(CH3)CH3 Isobutane isobutane  
985 CH3CH2CH2CH3 Butane butane  
986 SiH(CH3)3 trimethylsilane trimsi  
987 Li3N trilithium nitride li3n  
988 C2N2 Cyanogen c2n2  
989 C2N2+ Cyanogen cation c2n2+  
990 P4 Phosphorus tetramer p4  
991 As4 Arsenic tetramer as4  
992 HCCCN Cyanoacetylene hcccn  
993 H2CNCN cyanamide, methylene ch2ncn  
994 HNCCNH Ethenediimine hnccnh  
995 C3H3N acrylonitrile ch2chcn  
996 C3H3N+ acrylonitrile cation ch2chcn+  
997 CH3N3 methyl azide ch3n3  
998 NH2CCNH2 Diaminoacetylene daa  
999 NH2CH2CN Aminoacetonitrile aan  
1000 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1001 C2H5CN ethyl cyanide c2h5cn  
1002 CH5N3 Guanidine guanidine  
1003 C4H6 Bicyclo[1.1.0]butane c157335  
1004 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1005 H2NCHCHNH2 diaminoethylene dae  
1006 CH6N3+ guanidinium ch6n3+  
1007 C3H7N Cyclopropylamine cpram  
1008 CH7N3 triaminomethane tam  
1009 C3H7N Azetidine azet  
1010 C4H8 cyclobutane cbutane  
1011 C2H8N2 Ethylenediamine ethdiam  
1012 CH3NHNHCH3 dimethyl hydrazine dmh  
1013 CH3CH(NH2)CH3 2-Propanamine pram2  
1014 N(CH3)3 Trimethylamine trimeam  
1015 NH2CH2CH2CH3 1-Propanamine pram1  
1016 P(CH3)3 trimethylphosphine tmp  
1017 N(SiH3)3 trisilylamine tsa  
1018 As(CH3)3 trimethyl arsine tmas  
1019 (CH3)3NH+ protonated trimethyl amine ptma  
1020 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1021 Li2O2 dilithium dioxide li2o2  
1022 Na2O2 disodium dioxide na2o2  
1023 K2O2 dipotassium dioxide k2o2  
1024 C3O Tricarbon monoxide c3o  
1025 B2O2 Diboron dioxide b2o2  
1026 ONNO NO dimer onno  
1027 CO3 Carbon trioxide co3  
1028 CO3-- carbonate co3--  
1029 NO3 Nitrogen trioxide no3  
1030 NO3- nitrate anion no3-  
1031 NO3+ nitrogen trioxide cation no3+  
1032 SO3- Sulfur trioxide anion so3-  
1033 SO3-- Sulfate dianion so3--  
1034 SO3+ Sulfur trioxide cation so3+  
1035 SeO3 selenium trioxide seo3  
1036 TeO3 Tellurium trioxide teo3  
1037 HCO3- bicarbonate anion hco3-  
1038 HNO3 Nitric acid hno3  
1039 HSO3 Hydroxysulfonyl radical hso3  
1040 NH2NO2 nitramide nh2no2  
1041 C2H2CO cyclopropenone c2h2co  
1042 C3H2O Propadienal c3h2o  
1043 HCCCHO 2-propynal hcccho  
1044 C2H2O2 Ethanedial c2h2o2  
1045 C2H2O2+ Ethanedial cation c2h2o2+  
1046 H2CO3 Carbonic acid h2co3  
1047 H2CS3 thiocarbonic acid h2cs3  
1048 H2NO3+ Nitric Acid, Protonated h2no3+  
1049 H2SO3 Sulfurous acid h2so3  
1050 C2H3NO Nitrosoethylene c2h3no  
1051 CH3NCO methylisocyante ch3nco  
1052 HOCH2CN cyanomethanol hoch2cn  
1053 CH3COO- acetate anion ch3coo-  
1054 CH3NO2 Methane, nitro- ch3no2  
1055 CH3ONO Methyl nitrite ch3ono  
1056 NH2COOH Carbamic acid nh2cooh  
1057 H3BO3 Boric acid h3bo3  
1058 H3CO3+ carbonic acid, protonated h3co3+  
1059 C3H4O 2-Propyn-1-ol c107197  
1060 C3H4O allenol c9000071  
1061 C3H4O Cyclopropanone cpone  
1062 C3H4O Methylketene c6004440  
1063 CH2CHCHO Acrolein c3h4o  
1064 NH2CONH2 Urea urea  
1065 NH2CONH2+ Urea cation urea+  
1066 NH2CSNH2 Thiourea thiourea  
1067 C2H4O2 1,3-dioxetane c2h4o2  
1068 CH3COOH Acetic acid ch3cooh  
1069 CH3OCHO methyl formate ch3ocho  
1070 CHOCH2OH hydroxy acetaldehyde haa  
1071 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1072 NH3COOH+ protonated Carbamic acid nh3cooh+  
1073 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1074 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1075 HCOOHH2O Formic acid water dimer hcoohh2o  
1076 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1077 CH3COCH2 Acetonyl radical ch3coch2  
1078 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1079 CH3C(OH)=NH Ethaninidic acid eia  
1080 CH3CHNOH Acetaldoxime acetaldoxime  
1081 CH3CONH2 Acetamide acetamide  
1082 HCONHCH3 N-methylformamide nmfa  
1083 CH5N2O+ urea, N-protonated ch4n2o+  
1084 H2NCOHNH2+ urea, protonated ureah+  
1085 C2H5OO ethylperoxy radical c2h5oo  
1086 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1087 C3H5OH Cyclopropanol cproh  
1088 C3H6O 2-Propen-1-ol c107186  
1089 C3H6O Acetone enol enol  
1090 C3H6O Oxetane oxetane  
1091 C3H6O Propylene oxide prox  
1092 CH3CH2CHO Propanal propanal  
1093 CH3COCH3 Acetone acetone  
1094 CH3COCH3- acetone anion ch3coch3-  
1095 C3H6S Thietane thietane  
1096 C3H6S Thiirane, methyl- methiirane  
1097 CH3CSCH3 Thioacetone ch3csch3  
1098 C2H6O2 1,2-Ethanediol ethdiol  
1099 CH3OOCH3 dimethylperoxide dmp  
1100 CH3SOCH3 Dimethyl sulfoxide dmso  
1101 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1102 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1103 CH3COHCH3+ acetone, protonated acetoneh+  
1104 HOCH2CH2NH2 monoethanolamine mea  
1105 C3H7OH 1-Propanol proh  
1106 CH3CHOHCH3 Isopropyl alcohol isoproh  
1107 CH3OC2H5 Ethane, methoxy- etome  
1108 C3H7SH 1-Propanethiol prsh  
1109 CH3CHSHCH3 2-Propanethiol isoprsh  
1110 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1111 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1112 Li2F2 Lithium fluoride dimer li2f2  
1113 Na2F2 Sodium Fluoride Dimer na2f2  
1114 Na2Cl2 Disodium dichloride na2cl2  
1115 C2Cl2 dichloroacetylene c2cl2  
1116 C2Cl2+ dichloroacetylene cation c2cl2+  
1117 FNO2 Nitryl fluoride fno2  
1118 FONO Nitrosyl hypofluorite fono  
1119 ClNO2 Nitryl chloride clno2  
1120 ClONO chlorine nitrite clono  
1121 BrONO Bromine nitrite brono  
1122 N2F2 (Z)-Difluorodiazene n2f2_z  
1123 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1124 CF2O Carbonic difluoride f2co  
1125 CF2O+ Carbonic difluoride cation f2co+  
1126 COFCl Carbonic chloride fluoride cofcl  
1127 CCl2O Phosgene cl2co  
1128 COBr2 Carbonic dibromide cobr2  
1129 BF3 Borane, trifluoro- bf3  
1130 BF3- Borane, trifluoro- anion bf3-  
1131 BF3+ boron trifluoride cation bf3+  
1132 BClF2 Chlorodifluoroborane bclf2  
1133 AlF2Cl Aluminum chloride difluoride alclf2  
1134 ScF3 Scandium trifluoride ScF3  
1135 AlFCl2 Aluminum dichloride fluoride alcl2f  
1136 BCl3 Borane, trichloro- bcl3  
1137 BCl3+ Boron Trichloride cation bcl3+  
1138 GaF3 Gallium trifluoride gaf3  
1139 AlCl3 Aluminum trichloride alcl3  
1140 GaCl3 Gallium trichloride gacl3  
1141 BBr3 Boron tribromide bbr3  
1142 AlBr3 Aluminum Bromide albr3  
1143 ClO3 Chlorine trioxide clo3  
1144 ClO3- chlorate anion clo3-  
1145 BrO3- Bromate anion bro3-  
1146 CF3 Trifluoromethyl radical cf3  
1147 CF2Cl difluorochloromethyl radical cf2cl  
1148 SiF3 Silicon trifluoride radical sif3  
1149 SiF3+ Silicon trifluoride cation sif3+  
1150 CFCl2 dichlorofluoromethyl radical cfcl2  
1151 CCl3 Trichloromethyl radical ccl3  
1152 CCl3- Trichloromethyl anion ccl3-  
1153 CCl3+ Trichloromethyl cation ccl3+  
1154 SiCl3 trichlorosilyl radical sicl3  
1155 SiCl3+ trichlorosilyl cation sicl3+  
1156 CBr3 tribromomethyl radical cbr3  
1157 FOOF Perfluoroperoxide foof  
1158 ClOOCl Dichlorine dioxide cloocl  
1159 FSSF Difluorodisulfane fssf  
1160 S2F2 Thio-thionyl fluoride s2f2  
1161 SOCl2 thionyl chloride socl2  
1162 SeOCl2 selenium oxychloride seocl2  
1163 NF3 Nitrogen trifluoride nf3  
1164 PF3 Phosphorus trifluoride pf3  
1165 NCl3 nitrogen trichloride ncl3  
1166 AsF3 Arsenic trifluoride asf3  
1167 PCl3 Phosphorus trichloride pcl3  
1168 SbF3 Antimony Trifluoride sbf3  
1169 AsCl3 Arsenous trichloride ascl3  
1170 SbCl3 Antimony Trichloride sbcl3  
1171 NBr3 Nitrogen Tribromide nbr3  
1172 PBr3 Phosphorus tribromide pbr3  
1173 AsBr3 Arsenic tribromide asbr3  
1174 NI3 Nitrogen triiodide ni3  
1175 PI3 Phosphorus triiodide pi3  
1176 ClSSCl Disulfur dichloride s2cl2  
1177 BrF3 Bromine trifluoride brf3  
1178 IF3 iodone trifluoride if3  
1179 CHF3 Methane, trifluoro- chf3  
1180 CHF2Cl difluorochloromethane chf2cl  
1181 SiHF3 trifluorosilane sihf3  
1182 CHFCl2 fluorodichloromethane chfcl2  
1183 CDCl3 trichloromethane-d cdcl3  
1184 CHCl3 Chloroform chcl3  
1185 CHBrF2 Methane, bromodifluoro- chbrf2  
1186 SiHCl3 Trichlorosilane sihcl3  
1187 CHFClBr fluorochlorobromomethane chfclbr  
1188 CHBrCl2 Methane, bromodichloro- chbrcl2  
1189 CHF2I difluoroiodomethane chf2i  
1190 CHBr2F dibromofluoromethane chbr2f  
1191 CHFClI fluorochloroiodomethane chfcli  
1192 CHCl2I dichloroiodomethane chcl2i  
1193 CHClBr2 Methane, dibromochloro- chclbr2  
1194 CHBr3 bromoform chbr3  
1195 CHI3 Iodoform chi3  
1196 NF3H+ protonated nitrogen trifluoride nf3h+  
1197 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1198 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1199 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1200 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1201 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1202 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1203 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1204 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1205 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1206 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1207 C2H2Br2 1,1-dibromoethene c2h2br2  
1208 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1209 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1210 CH2FCHO Fluoroacetaldehyde ch2fcho  
1211 CH3COF Acetyl fluoride ch3cof  
1212 CH2ClCHO chloroacetaldehyde ch2clcho  
1213 CH3COCl Acetyl Chloride ch3cocl  
1214 C2H4F2 1,2-difluoroethane c2h4f2  
1215 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1216 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1217 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1218 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1219 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1220 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1221 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1222 CH2CFCH3 2-fluoropropene 2fpro  
1223 CH2CHCH2F Allyl Fluoride allylf  
1224 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1225 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1226 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1227 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1228 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1229 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1230 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1231 CH2FCH2CH3 1-Fluoropropane prf1  
1232 CH3CHFCH3 2-Fluoropropane prf2  
1233 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1234 CH3CHClCH3 Propane, 2-chloro- prcl2  
1235 CH3CH2CH2Br n-propyl bromide prbr  
1236 CH3CHBrCH3 i-propyl bromide iprbr  
1237 C3H9O+ trimethyl oxonium cation c3h9o+  
1238 B5H9 pentaborane9 b5h9  
1239 C5H4 pentatetraene ptrene  
1240 C5H5 cyclopentadienyl radical c5h5  
1241 C5H5- cylopentadienyl anion c5h5-  
1242 C5H6 1,3-Cyclopentadiene c542927  
1243 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1244 C5H6 3-Penten-1-yne, (E)- c2004695  
1245 C5H6 3-Penten-1-yne, (Z)- c1574409  
1246 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1247 C5H6 Cyclopropylacetylene c6746947  
1248 C5H6 Propellane propellane  
1249 C5H7 1,3-pentadienyl radical pdyl  
1250 C5H7 cyclopentenyl radical cpyl  
1251 C5H8 1,2-Butadiene, 3-methyl- c598254  
1252 C5H8 1,2-Pentadiene c591957  
1253 C5H8 1,3-Butadiene, 2-methyl- c78795  
1254 C5H8 1,3-Pentadiene, (E)- c2004708  
1255 C5H8 1,3-Pentadiene, (Z)- c1574410  
1256 C5H8 1,4-Pentadiene c591935  
1257 C5H8 1-pentyne a1pentyne  
1258 C5H8 2,3-Pentadiene c591968  
1259 C5H8 Bicyclo[1.1.1]pentane bcp  
1260 C5H8 Cyclobutane, methylene- c1120565  
1261 C5H8 Cyclopentene c142290  
1262 C5H8 Ethenylcyclopropane c693867  
1263 CH3CCCH2CH3 2-Pentyne 2pentyne  
1264 C5H10 1-Butene, 2-methyl- c563462  
1265 C5H10 2-Butene, 2-methyl- c513359  
1266 C5H10 2-Pentene, (E)- c646048  
1267 C5H10 2-Pentene, (Z)- c627203  
1268 C5H10 Cyclopentane c287923  
1269 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1270 CH2CHCH2CH2CH3 1-pentene pentene  
1271 C5H11 2-Methylbut-2-yl radical c4348350  
1272 C5H12 Butane, 2-methyl- buta2  
1273 C5H12 Pentane pentane  
1274 C5H12 Propane, 2,2-dimethyl- neopentane  
1275 Si(CH3)4 tetramethylsilane tms  
1276 N2O3 Dinitrogen trioxide n2o3  
1277 C3H2N2 Malononitrile c3h2n2  
1278 CH2N4 1H-Tetrazole 1htz  
1279 C3H3N2 imidazolyl radical im  
1280 C3H3N2- imidizolyl anion im-  
1281 C2H3N3 1H-1,2,4-Triazole c288880  
1282 C4H4N pyrrolide radical c4h4n  
1283 C4H4N- pyrrolide anion c4h4n-  
1284 C3H4N2 1H-Imidazole 1himidaz  
1285 C3H4N2 1H-Pyrazole 1hpyraz  
1286 C3H4N2 2H-Imidazole imid2h  
1287 C3H4N2 4H-Imidazole imid4h  
1288 C4H5N (E)-2-Butenenitrile c627269  
1289 C4H5N (Z)-2-Butenenitrile c1190767  
1290 C4H5N 2H-pyrrole pyrrole2  
1291 C4H5N 3H-pyrrole pyrrole3  
1292 C4H5N Cyclopropanecarbonitrile c5500210  
1293 C4H5N Pyrrole pyrrole  
1294 CH2CHCH2CN Allylcyanide ch2chch2cn  
1295 C4H6N+ pyrrole, alpha-protonated appyr  
1296 C4H6N+ pyrrole, beta-protonated bppyr  
1297 C4H6N+ pyrrole, protonated ppyr  
1298 C3H6N2 3-Aminopropionitrile c151188  
1299 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1300 CH3CH2CH2CN Butanenitrile c109740  
1301 C5H8 Bicyclo[2.1.0]pentane c185944  
1302 C5H8 Spiropentane c157404  
1303 C4H9N Cyclobutylamine cbam  
1304 C4H9N Pyrrolidine pyrrolidine  
1305 C3H10N2 1,2-Diaminopropane diampr12  
1306 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1307 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1308 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1309 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1310 NH(C2H5)2 diethylamine dea  
1311 NC4H12+ tetramethyl ammonium cation nc4h12+  
1312 C3O2 Carbon suboxide c3o2  
1313 B2O3 diboron trioxide b2o3  
1314 MgCO3 Magnesium Carbonate mgco3  
1315 BeCO3 Beryllium Carbonate beco3  
1316 CaCO3 Calcium Carbonate caco3  
1317 ONONO Nitrosyl nitrite onono  
1318 PO4--- phosphate po4---  
1319 SO4-- sulfate so4--  
1320 HOONO2 peroxy nitric acid hoono2  
1321 HSO4- bisulfate anion hso4-  
1322 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1323 C3H2O2 Propiolic acid c3h2o2  
1324 CHOCOOH oxo acetic acid oaa  
1325 CHOOCHO diformyl ether choocho  
1326 H2SO4 Sulfuric acid h2so4  
1327 H2SeO4 Selenic acid h2seo4  
1328 C3H3NO Isoxazole isox  
1329 C3H3NO Oxazole oxazole  
1330 C3H3NS Thiazole thiazole  
1331 CH3C(O)OO acetyl peroxy radical ch3coo2  
1332 CH3NO3 Methyl nitrate ch3no3  
1333 H3PO4 Phosphoric Acid h3po4  
1334 C4H4O Furan furan  
1335 C4H4O+ Furan cation furan+  
1336 CH3COCCH 3-butyn-2-one c1423605  
1337 C4H4S Thiophene furans  
1338 C4H4Se selenophene c4h4se  
1339 C3H4O2 β–Propiolactone beta  
1340 C3H4O2 2-Propenoic acid propenoic2  
1341 C3H4O2 Methyl glyoxal megly  
1342 C3H4O2 propanedial propanedial  
1343 C3H4O2 propenalol propenalol  
1344 HOCHCCHOH allenediol aldiol  
1345 C2H4O3 1,2,3-trioxolane c2h4o3  
1346 C2H4O3 trioxolane124 triox  
1347 HOCH2COOH Hydroxyacetic acid hac  
1348 CH2CHCONH2 Acrylamide c79061  
1349 CH3OCH2CN Methoxyacetonitrile c1738369  
1350 CH5N3S Hydrazinecarbothioamide c79196  
1351 H2NCH2COOH Glycine glycine  
1352 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1353 C4H6O cis-2-butenal butenal2c  
1354 C4H6O Cyclobutanone cbutone  
1355 C4H6O Furan, 2,3-dihydro- furan23h  
1356 C4H6O Furan, 2,5-dihydro- furan25h  
1357 CH2CHOCHCH2 Vinyl ether vinylether  
1358 CHOCHCHCH3 2-Butenal butenal2  
1359 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1360 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1361 CH2CHSCHCH2 Divinyl sulfide divis  
1362 C2H6N2O Urea, methyl- c598505  
1363 C3H6O2 1,3-Dioxolane dioxolane  
1364 CH3CH2COOH Propanoic Acid propanoic  
1365 CH3COOCH3 methyl acetate aame  
1366 HCOOC2H5 Ethyl formate faee  
1367 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1368 C3H7NO dimethylformamide dmf  
1369 C3H7NO Propanamide propanam  
1370 C2H3OC2H5 Ethene, ethoxy- c109922  
1371 C4H8O Cyclobutanol c2919235  
1372 C4H8O Furan, tetrahydro- thf  
1373 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1374 CH3COCH2CH3 2-Butanone buta2one  
1375 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1376 CHOCH2CH2CH3 Butanal butanal  
1377 C4H8S Thiophene, tetrahydro- tht  
1378 C3H8O2 1,3-Propanediol c504632  
1379 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1380 C3H8O2 Methane, dimethoxy- c109875  
1381 C3H8O2 Propylene glycol c57556  
1382 C3H8S2 1,3-Propanedithiol c109808  
1383 C4H10O 1-Butanol butanol1  
1384 C4H10O 1-Propanol, 2-methyl- c78831  
1385 C4H10O 2-Butanol, (.+/-.)- butanol2  
1386 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1387 C4H10O Ethoxy ethane etoet  
1388 C4H10O Methyl propyl ether meopr  
1389 C4H10O Propane, 2-methoxy- c598538  
1390 C4H10O+ 1-Butanol cation butanol1+  
1391 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1392 C2H5SC2H5 Diethyl sulfide etset  
1393 C4H9SH 1-Butanethiol bush  
1394 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1395 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1396 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1397 FNO3 Fluorine nitrate fno3  
1398 ClONO2 Chlorine nitrate clono2  
1399 BrONO2 Bromine nitrate brono2  
1400 TiCl4 Titanium tetrachloride ticl4  
1401 ClO4- perchlorate anion clo4-  
1402 BF4- tetrafluoroboron anion bf4-  
1403 ClFO3 Perchloryl fluoride clfo3  
1404 SO2F2 Sulfuryl fluoride so2f2  
1405 SO2Cl2 Sulfuryl chloride so2cl2  
1406 F3NO Nitrogen trifluoride oxide f3no  
1407 F3PO Phosphoryl fluoride pf3o  
1408 Cl3PO Phosphoryl chloride pcl3o  
1409 CF4 Carbon tetrafluoride cf4  
1410 CF3Cl Methane, chlorotrifluoro- cf3cl  
1411 SiF4 Silicon tetrafluoride sif4  
1412 TiF4 Titanium tetrafluoride tif4  
1413 CFCl3 Trichloromonofluoromethane cfcl3  
1414 CF3Br Bromotrifluoromethane cf3br  
1415 GeF4 Germanium tetrafluoride gef4  
1416 CCl4 Carbon tetrachloride ccl4  
1417 CCl4+ Carbon tetrachloride cation ccl4+  
1418 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1419 SiCl4 Silane, tetrachloro- sicl4  
1420 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1421 CF3I trifluoroiodomethane cf3i  
1422 CBrCl3 Methane, bromotrichloro- cbrcl3  
1423 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1424 GeCl4 Germanium Tetrachloride gecl4  
1425 CBr2ClF dibromochlorofluoromethane cbr2clf  
1426 CBr2Cl2 dibromodichloromethane cbr2cl2  
1427 CCl3I trichloroiodomethane ccl3i  
1428 CFBr3 fluorotribromomethane cfbr3  
1429 CFClBrI fluorochlorobromoiodomethane cfclbri  
1430 CBr3Cl tribromochloromethane cbr3cl  
1431 CF2I2 difluorodiiodomethane cf2i2  
1432 CBr4 Carbon tetrabromide cbr4  
1433 CCl2I2 dichlorodiiodomethane ccl2i2  
1434 SiBr4 Silicon tetrabromide sibr4  
1435 CBr3I tribromoiododmethane cbr3i  
1436 GeBr4 Germanium tetrabromide gebr4  
1437 CI4 tetraiodomethane ci4  
1438 SiI4 silicon tetraiodide sii4  
1439 ClOF3 Chlorine trifluoride oxide clof3  
1440 SeF4 Selenium tetrafluoride sef4  
1441 SCl4 Sulfur tetrachloride scl4  
1442 C2HF3 Trifluoroethylene c2hf3  
1443 C2HF3+ Trifluoroethylene cation c2hf3+  
1444 CHClCCl2 Trichloroethylene chclccl2  
1445 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1446 HSO3F Fluorosulfonic acid hso3f  
1447 CF3OH trifluoromethanol cf3oh  
1448 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1449 CHClCCHCl 1,3-dichloroallene chclcchcl  
1450 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1451 CHCl2CHO dichloroacetaldehyde chcl2cho  
1452 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1453 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1454 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1455 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1456 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1457 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1458 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1459 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1460 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1461 NH3BCl3 Amminetrichloroboron nh3bcl3  
1462 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1463 C3H5ClO Oxirane, (chloromethyl)- c106898  
1464 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1465 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1466 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1467 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1468 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1469 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1470 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1471 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1472 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1473 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1474 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1475 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1476 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1477 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1478 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1479 C4H9F 1-fluorobutane butaf1  
1480 CH3CHFCH2CH3 2-fluorobutane butaf2  
1481 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1482 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1483 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1484 XeF4 Xenon tetrafluoride xef4  
1485 C2H2N2O Furazan furazan  
1486 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1487 NH3BF3 Amminetrifluoroboron nh3bf3  
1488 C6H2 hexatriyne c6h2  
1489 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1490 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1491 C6H4 Benzyne benzyne  
1492 C6H5 phenyl phenyl  
1493 C6H5- phenyl anion phenyl-  
1494 C6H6 Prismane prismane  
1495 C6H6 1,2,4,5-Hexatetraene ht1245  
1496 C6H6 2,4-Hexadiyne hexadiyne  
1497 C6H6 3,4-Dimethylenecyclobutene cb34m  
1498 C6H6 Benzene benzene  
1499 C6H6 Benzvalene bv  
1500 C6H6 Dewar Benzene dewar  
1501 C6H6 Hexa-1,5-diene-3-yne hdy153  
1502 C6H6 Trimethylenecycopropane tmcp  
1503 C6H6+ Benzene cation c6h6+  
1504 C6H7+ benzene, protonated c6h7+  
1505 C6H8 (E)-hexa-1,3,5-triene c821078  
1506 C6H8 (E)-hexa-2,3,4-triene c59660650  
1507 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1508 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1509 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1510 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1511 C6H8 3-Methylenecyclopentene c930267  
1512 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1513 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1514 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1515 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1516 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1517 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1518 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1519 C6H10 1,5-Hexadiene c592427  
1520 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1521 C6H10 1-Hexyne hexyne1  
1522 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1523 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1524 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1525 C6H10 2-Hexyne c764352  
1526 C6H10 3-Hexyne hexyne3  
1527 C6H10 cyclohexene cyclohexene  
1528 C6H10 Cyclopentene, 1-methyl- c693890  
1529 C6H10 Cyclopentene, 3-methyl- c1120623  
1530 C6H10 Cyclopentene, 4-methyl- c1759815  
1531 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1532 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1533 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1534 C6H12 (E)-2-Hexene e2hexene  
1535 C6H12 (E)-3-methylpent-2-ene c616126  
1536 C6H12 (E)-hex-3-ene e3hexene  
1537 C6H12 (Z)-3-methylpent-2-ene c922623  
1538 C6H12 (Z)-hex-2-ene z2hexene  
1539 C6H12 (Z)-hex-3-ene z3hexene  
1540 C6H12 2,3-dimethylbut-1-ene c563780  
1541 C6H12 2,3-dimethyl-but-2-ene tmeet  
1542 C6H12 3-methylenepentane c760214  
1543 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1544 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1545 C6H12 Cyclohexane cyclohexane  
1546 C6H12 Cyclopentane, methyl- c96377  
1547 C6H12 Ethylcyclobutane c4806615  
1548 C6H12 hex-1-ene hexene1  
1549 C6H14 Butane, 2,2-dimethyl- buta22  
1550 C6H14 Butane, 2,3-dimethyl- buta23  
1551 C6H14 Hexane hexane  
1552 C6H14 Pentane, 2-methyl- penta2  
1553 C6H14 Pentane, 3-methyl- penta3  
1554 C4N2 2-Butynedinitrile c4n2  
1555 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1556 C4H2N2 Fumaronitrile c4h2n2  
1557 C2H2N4 sym-tetrazine ttz  
1558 C3H3N3 1,3,5-Triazine triazine135  
1559 CH3N5 5-Aminotetrazole c4418615  
1560 C4H4N2 1,3-Diazine diazine13  
1561 C4H4N2 Pyrazine pyrazine  
1562 C4H4N2 Pyridazine pyridazine  
1563 C4H4N2 Succinonitrile c110612  
1564 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1565 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1566 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1567 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1568 C5H5N E-2,4-pentadienenitrile bdcn  
1569 C5H5N Pyridine pyridine  
1570 B3N3H6 borazine borazine  
1571 C6H6 Fulvene fulvene  
1572 C5H6N+ Pyridinium c5h6n  
1573 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1574 C5H7N (E)-2-Pentenenitrile c26294984  
1575 C5H7N (E)-3-Pentenenitrile c16529661  
1576 C5H7N (Z)-2-Pentenenitrile c25899507  
1577 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1578 C5H7N Cyclobutanecarbonitrile c4426113  
1579 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1580 C5H9N Butanenitrile, 2-methyl- c18936179  
1581 C5H9N Pentanenitrile c110598  
1582 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1583 C6H10 Bicyclo[3.1.0]hexane c285585  
1584 C5H11N Cyclopentanamine cypentam  
1585 C5H11N Piperidine piper  
1586 C4H12N2 1,2-Butanediamine c4426486  
1587 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1588 Li2CO3 Lithium Carbonate li2co3  
1589 Na2CO3 Sodium Carbonate na2co3  
1590 MgSO4 Magnesium Sulfate mgso4  
1591 N2O4 Dinitrogen tetroxide n2o4  
1592 C3H2O3 vinylene carbonate vica  
1593 C2H2O4 Oxalic Acid oxalic  
1594 C2H3NO3 Oxamic acid oxamic  
1595 C4H4O2 2(5H)-Furanone furanone  
1596 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1597 C2H4N2O2 Oxalamide oxalamide  
1598 C2H4N2S2 Ethanedithioamide c79403  
1599 C2H4CO3 Ethylene carbonate etco3  
1600 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1601 C3H4S3 1,3-Dithiolane-2-thione c822388  
1602 C2H4O4 Formic acid dimer fadimer  
1603 C4H5NO 3-Methylisoxazole isox3m  
1604 C4H5NO Isoxazole, 5-methyl- c5765446  
1605 C4H5NS 4-Methylthiazole c693958  
1606 C2H5NO3 Nitric acid, ethyl ester c625581  
1607 C5H6O 2H-Pyran pyran2  
1608 C5H6O 2-methylfuran furan2m  
1609 C5H6O 3-Methylfuran furan3m  
1610 C5H6O Pentadienal pdal  
1611 C5H6S Thiophene, 2-methyl- c554143  
1612 C5H6S Thiophene, 3-methyl- c616444  
1613 C4H6O2 γ–Butyrolactone c96480  
1614 C4H6O2 2,3-Butanedione c431038  
1615 C4H6O2 2-Propenoic acid, methyl ester c96333  
1616 C4H6O2 Crotonic Acid crot  
1617 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1618 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1619 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1620 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1621 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1622 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1623 C4H6OS Vinyl sulfoxide c1115157  
1624 CH6N4S Carbonothioic dihydrazide thiacarb  
1625 C2H6N2O2 (E)-Azodioxymethane c37765154  
1626 C2H6N2O2 Dimethylnitroamine c4164287  
1627 C3H6O3 1,3,5-Trioxane trioxane  
1628 C3H6S3 1,3,5-Trithiane c3h6s3  
1629 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1630 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1631 C4H7NO 2-Pyrrolidinone c616455  
1632 C4H7NO Ethoxyacetonitrile etoaccn  
1633 C4H7NO Methacrylamide c79390  
1634 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1635 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1636 C3H7ONO Propyl nitrite prono  
1637 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1638 CH3CH(NH2)COOH Alanine alanine  
1639 CH3NHCH2COOH Sarcosine sarcosine  
1640 NH2CH2CH2COOH β–alanine betaalanine  
1641 NH2COOC2H5 Urethane urethane  
1642 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1643 C5H8O Cyclopentanone c120923  
1644 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1645 C5H8O Methyl cyclopropyl ketone c765435  
1646 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1647 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1648 NH2CONHC2H5 Urea, ethyl- c625525  
1649 C4H8O2 1,3-Dioxane dioxan13  
1650 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1651 C4H8O2 1,4-Dioxane dioxan14  
1652 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1653 C4H8O2 Ethyl acetate c141786  
1654 C4H8OS s-Ethyl thioacetate c625605  
1655 C3H8O3 1,2,3-Propanetriol glycerin  
1656 C3H8O2S (Methylsulfonyl)ethane c594434  
1657 C4H9NO Butanamide c541355  
1658 C4H9NO Propanamide, 2-methyl- c563837  
1659 C5H10O 2-Butanone, 3-methyl- c563804  
1660 C5H10O 2H-Pyran, tetrahydro- c142687  
1661 C5H10O 2-methylbutyraldehyde 2meba  
1662 C5H10O 2-Pentanone mpk  
1663 C5H10O 3-Pentanone dek  
1664 C5H10O Cyclopentanol c96413  
1665 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1666 C5H10O Pentanal pal  
1667 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1668 C5H10S 3-Ethylthio-1-propene c5296628  
1669 C5H10S Cyclopentanethiol c1679078  
1670 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1671 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1672 C4H10O2 1,1-Dimethoxyethane c534156  
1673 C4H10O2 1,3-Butanediol budiol13  
1674 C4H10O2 1,4-Butanediol budiol14  
1675 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1676 C4H10OS Diethyl sulfoxide c70291  
1677 C4H10S2 1,4-Butanedithiol budisl14  
1678 C4H11NO Diethylhydroxylamine c3710847  
1679 C5H12O 1-Butanol, 2-methyl- c137326  
1680 C5H12O 1-Butanol, 3-methyl- c123513  
1681 C5H12O 1-Pentanol pentanol1  
1682 C5H12O 2-Butanol, 3-methyl- c598754  
1683 C5H12O 2-Pentanol peol2  
1684 C5H12O 3-Pentanol pentan3ol  
1685 C5H12O Butane, 1-methoxy- meobu  
1686 C5H12O Propane, 1-ethoxy- proet  
1687 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1688 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1689 C5H12S 1-Butanethiol, 3-methyl- c541311  
1690 C5H12S 1-Pentanethiol c110667  
1691 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1692 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1693 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1694 C5H12S Butane, 1-(methylthio)- c628295  
1695 C5H12S Ethyl propyl sulfide c4110503  
1696 C5H12S Propane, 2-(ethylthio)- c5145993  
1697 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1698 C4F2 difluorobutadiyne c4f2  
1699 ClCOClCO Oxalyl chloride oxcl  
1700 CF3CN Acetonitrile, trifluoro- cf3cn  
1701 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1702 B2F4 Diboron tetrafluoride b2f4  
1703 B2Cl4 Diboron tetrachloride b2cl4  
1704 C2F4 Tetrafluoroethylene c2f4  
1705 C2F4+ Tetrafluoroethylene cation c2f4+  
1706 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1707 CF2CCl2 difluorodichloroethylene cf2ccl2  
1708 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1709 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1710 C2FCl3 fluorotrichloroethene c2fcl3  
1711 C2Cl4 Tetrachloroethylene c2cl4  
1712 C2Br4 tetrabromoethene c2br4  
1713 CF3OF Trifluoromethylhypofluorite cf3of  
1714 AsF5 Arsenic pentafluoride asf5  
1715 PCl5 Phosphorus pentachloride pcl5  
1716 SF5 Sulfur pentafluoride sf5  
1717 SF5+ pentafluoro sulfur cation sf5+  
1718 SbCl5 Antimony pentachloride sbcl5  
1719 BrF5 bromine pentafluoride brf5  
1720 ClF5 chlorinepentafluoride clf5  
1721 IF5 pentafluoroiodine if5  
1722 CF3CHO trifluoroacetaldehyde cf3cho  
1723 CCl3CHO trichloroacetaldehyde ccl3cho  
1724 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1725 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1726 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1727 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1728 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1729 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1730 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1731 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1732 CF3COOH trifluoroacetic acid cf3cooh  
1733 C4H3ClO Furan, 2-chloro fur2cl  
1734 C4H3ClO Furan,3-chloro fur3cl  
1735 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1736 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1737 C4H8Cl2 1,4-Dichlorobutane c110565  
1738 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1739 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1740 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1741 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1742 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1743 C5H11Cl Pentane, 1-chloro- pencl1  
1744 C4H8O2 Butanoic acid bua  
1745 C6H5CH2 benzyl radical benzyl  
1746 C7H7 cycloheptatrienyl radical c7h7  
1747 C7H7+ cycloheptatrienyl cation c7h7+  
1748 C6H5CH3 toluene toluene  
1749 C7H8 cycloheptatriene cht  
1750 C7H8 Norbornadiene norbor  
1751 C7H8 Quadricyclane qucy  
1752 C7H12 Norbornane nor  
1753 C7H14 cycloheptane c7h14  
1754 C7H16 2-methylhexane 2mhex  
1755 C7H16 3-methylhexane hex3m  
1756 C7H16 heptane heptane  
1757 CH(CN)3 tricyanomethane mecn3  
1758 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1759 C6H7N 2-Methylpyridine mp  
1760 C6H5NH2 aniline aniline  
1761 C6H13N 2-Methylpiperidine pip2m  
1762 C6H13N cyclohexanamine cham  
1763 C6H15N triethylamine tea  
1764 N2O5 Dinitrogen pentoxide n2o5  
1765 C4H2O3 Maleic Anhydride malan  
1766 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1767 C5H4O2 furfural furfural  
1768 C6H5O phenoxy radical phenoxy  
1769 C5H5NO 2(1H)-Pyridinone c72762006  
1770 C5H5NO 2(3H)-Pyridinone c9000048  
1771 C5H5NO 2(5H)-Pyridinone c9000037  
1772 C5H5NO 2-Pyridinol c109104  
1773 C5H5NO 3(2H)-Pyridinone c9000004  
1774 C5H5NO 3(4H)-Pyridinone c9000026  
1775 C5H5NO 3(6H)-Pyridinone c9000015  
1776 C5H5NO 3-Pyridinol c109002  
1777 C5H5NO 4(1H)-Pryidinone c9000060  
1778 C5H5NO 4(3H)-Pryidinone c9000059  
1779 C5H5NO 4-Pyridinol c626642  
1780 C6H5OH phenol phenol  
1781 C6H6O 2,4-Cyclohexadienone c24599573  
1782 C6H6O 2,5-Cyclohexadienone c5664335  
1783 C6H5SH Benzenethiol phsh  
1784 HO2CCHNH2CH2OH Serine serine  
1785 C5H8O2 Acetylacetone acac  
1786 C4H8O2S Sulfolane sulfolane  
1787 C7H10 Norbornene norbornene  
1788 CH(C2H3)3 trivinyl methane tvm  
1789 C6H10O cyclohexanone chexo  
1790 C6H12O hexanal c6h12o  
1791 C6H12O Oxepane oxepane  
1792 C3H7OC3H7 di-n-propyl ether propr  
1793 F2CCCF2 tetrafluoroallene pfa  
1794 CF3COO- trifluoro acetate anion cf3coo-  
1795 CF3COF trifluoroacetyl fluoride cf3cof  
1796 CF3COCl trifluoroacetyl chloride cf3cocl  
1797 PF6 Hexafluorophosphate neutral pf6  
1798 SF6 Sulfur Hexafluoride sf6  
1799 SeF6 Selenium hexafluoride sef6  
1800 CF3CHF2 pentafluoroethane cf3chf2  
1801 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1802 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1803 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1804 CCl3CHCl2 pentachloroethane ccl3chcl2  
1805 C6H5F Fluorobenzene bzf  
1806 C6H5Cl chlorobenzene bzcl  
1807 C6H5Br bromobenzene bzbr  
1808 C8H6 Calicene calicene  
1809 C6H5CCH phenylacetylene phac  
1810 C8H6 benzocyclobutadiene bcbd  
1811 C8H6 Pentalene pentalene  
1812 C6H5CHCH2 Styrene styrene  
1813 C8H8 cubane cubane  
1814 C8H8 cyclooctatetraene cot  
1815 C6H5CH2CH3 Ethylbenzene etbz  
1816 CH3C6H4CH3 meta-xylene mxylene  
1817 CH3C6H4CH3 paraxylene pxylene  
1818 C8H14 Bicyclo[2.2.2]octane bico222  
1819 C8H16 cyclooctane cyclooct  
1820 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1821 C8H18 Octane c8h18  
1822 C6H5CN phenyl cyanide phcn  
1823 C6H12N2 Triethylenediamine ted  
1824 C4O4-- squarate dianion c4o4--  
1825 S4N4 Tetrasulfur tetranitride s4n4  
1826 S8 Octasulfur s8  
1827 C6H4O2 parabenzoquinone pbq  
1828 C4H4N2O2 Uracil uracil  
1829 C6H5CHO benzaldehyde benzal  
1830 C6H5OCH3 Anisole anisole  
1831 C5H9NO2 Proline proline  
1832 C6H12O2 Methyl pivalate c598981  
1833 C6H12O2 Hexanoic acid hexa  
1834 C4F4 tetrafluorcyclobutadiene c4f4  
1835 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1836 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1837 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1838 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1839 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1840 C2F6 hexafluoroethane c2f6  
1841 C2Cl6 hexachloroethane c2cl6  
1842 IF7 Iodine heptafluoride if7  
1843 C6H4F2 metadifluorobenzene mdfb  
1844 C6H4F2 orthodifluorobenzene odfb  
1845 C6H4F2 1,4-difluorobenzene pdfb  
1846 C6H4Cl2 1,2-dichlorobenzene dcb12  
1847 C6H4Cl2 1,3-dichlorobenzene dcb13  
1848 C6H4Cl2 1,4-dichlorobenzene dcb14  
1849 C6H5NO nitrosobenzene bzno  
1850 C9H8 Indene indene  
1851 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1852 C9H12 n-propyl benzene prbz  
1853 C9H20 Nonane nonane  
1854 C(CN)4 tetracyanomethane c5n4  
1855 C5H4N4 purine purine  
1856 C8H7N Indole indole  
1857 C3H3N3O3 cyanuric acid cyanuric  
1858 C6H5NO2 Nitrobenzene c6h5no2  
1859 C6H5COOH benzoic acid benzo  
1860 CH3COC6H5 acetophenone acph  
1861 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1862 C3F6 hexafluoropropene c3f6  
1863 C6H3F3 Benzene trifluoride 123 bzf3a  
1864 C8H18O 1-Octanol octanol  
1865 C10H8 Azulene azu  
1866 C10H8 naphthalene naph  
1867 C10H10 bullvalene bullv  
1868 C10H16 adamantane adamantane  
1869 C6N4 Tetracyanoethylene tcne  
1870 C6N4- tetracyanoethylene anion tcne-  
1871 C10H22 Decane decane  
1872 C4F6 perfluorobutadiene c4f6  
1873 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1874 C3F8 perfluoropropane c3f8  
1875 Fe(CO)5 Iron pentacarbonyl ipc  
1876 Fe(C5H5)2 ferrocene fecp2  
1877 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1878 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1879 C12H8 Acenaphthylene acenaph  
1880 C12H8 biphenylene biph  
1881 C12H10 biphenyl biphenyl  
1882 C12H10 Heptalene heptalene  
1883 C6H12O6 Inositol inositol  
1884 C6F6 hexafluorobenzene c6f6  
1885 S2F10 disulphur decafluoride s2f10  
1886 C13H10 Fluorene fluorene  
1887 C14H10 Anthracene anth  
1888 C14H10 Phenanthrene phenanthrene  
1889 C14H14 Bibenzyl bibenzyl  
1890 C12H10N2 azobenzene azobenzene  
1891 C6H5COC6H5 benzophenone benzophenone  
1892 C16H10 Pyrene pyrene  
1893 C18H12 Tetracene tetracene  
1894 C19H16 Triphenylmethane tpm  
1895 C24H12 Coronene coronene  
1896 C60 Buckminsterfullerene c60