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List of which calculations are completed at MP2FC// HF/6-31G* /6-311+G(3df,2p)

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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 HD Deuterium hydride 1ΣgD∞h
7 He Helium atom 1SKh
8 Li Lithium atom 2SKh
9 Na Sodium atom 2SKh
10 K Potassium atom 2SKh
11 Cu Copper atom 2SKh
12 LiH Lithium Hydride 1ΣC∞v
13 NaH sodium hydride 1ΣC∞v
14 Be Beryllium atom 1SKh
15 Mg Magnesium atom 1SKh
16 Ca Calcium atom 1SKh
17 Zn Zinc atom 1SKh
18 BeH beryllium monohydride 2ΣC∞v
19 MgH magnesium monohydride 2ΣC∞v
20 BeH2 beryllium dihydride 1ΣgD∞h
21 MgH2 magnesium dihydride 1ΣgD∞h
22 B Boron atom 2PKh
23 Al Aluminum atom 2PKh
24 BH Boron monohydride 1ΣC∞v
25 AlH aluminum monohydride 1ΣC∞v
26 BH2 boron dihydride 2A1C2v
27 AlH2 aluminum dihydride 2A1C2v
28 BH3 boron trihydride 1A1'D3h
29 AlH3 aluminum trihydride 1A1'D3h
30 C Carbon atom 3P0Kh
31 Si Silicon atom 3PKh
32 Ti Titanium atom 3FKh
33 CH Methylidyne 2Π1/2C∞v
34 SiH Silylidyne 2ΠC∞v
35 CH2 Methylene 3B1C2v
36 SiH2 silicon dihydride 1A1C2v
37 CH3 Methyl radical 2A1D3h
38 SiH3 Silyl radical 2A1C3v
39 CH4 Methane 1A1Td
40 SiH4 Silane 1A1Td
41 N Nitrogen atom 4SKh
42 P Phosphorus atom 4SKh
43 NH Imidogen 3Σ-C∞v
44 PH phosphorus monohydride 3Σ-C∞v
45 ND2 Amidogen-d2 2B1C2v
46 NH2 Amino radical 2B1C2v
47 PH2 Phosphino radical 2B1C2v
48 ND3 Ammonia-d3 1A1C3v
49 NH3 Ammonia 1A1C3v
50 PH3 Phosphine 1A1C3v
51 O Oxygen atom 3SKh
52 S Sulfur atom 3PKh
53 Se Selenium atom 3PKh
54 DO Hydroxyl-d 2ΠC∞v
55 OH Hydroxyl radical 2ΠC∞v
56 DS Mercapto-d 2ΠC∞v
57 HS Mercapto radical 2ΠC∞v
58 HSe Selenium monohydride 2ΠC∞v
59 D2O Deuterium oxide 1A1C2v
60 H2O Water 1A1C2v
61 HDO Water-d1 1A1C2v
62 D2S Hydrogen sulfide-d2 1A1C2v
63 H2S Hydrogen sulfide 1A1C2v
64 H2Se Hydrogen selenide 1A1C2v
65 F Fluorine atom 2PKh
66 Cl Chlorine atom 2PKh
67 Br Bromine atom 2PKh
68 DF Hydrofluoric acid-d 1ΣC∞v
69 HF Hydrogen fluoride 1ΣC∞v
70 DCl Hydrochloric acid-d 1ΣC∞v
71 HCl Hydrogen chloride 1ΣC∞v
72 HBr hydrogen bromide 1ΣC∞v
73 Ne Neon atom 1SKh
74 Ar Argon atom 1SKh
75 Li2 Lithium diatomic 1ΣgD∞v
76 Na2 Sodium diatomic 1ΣgD∞h
77 Be2 Beryllium diatomic 3ΠgD∞h
78 Mg2 Magnesium diatomic 1ΣgD∞h
79 B2 Boron diatomic 3ΣgD∞h
80 Al2 Aluminum diatomic 3ΣgD∞h
81 B2H6 Diborane 1AgD2h
82 C2 Carbon diatomic 1Σg+D∞h
83 Si2 Silicon diatomic 3ΣgD∞h
84 C2H Ethynyl radical 2ΣC∞v
85 C2H2 Acetylene 1ΣgD∞h
86 C2H3 vinyl 2A'Cs
87 C2H4 Ethylene 1AgD2h
88 C2H5 Ethyl radical 2A'Cs
89 C2H6 Ethane 1A1gD3d
90 CH3SiH3 methyl silane 1A1C3
91 Si2H6 disilane 1EuD3d
92 BN boron nitride 3ΠC∞v
93 AlN Aluminum nitride 3ΠiC∞v
94 CN Cyano radical 2ΣC∞v
95 CP Carbon monophosphide 2ΣC∞v
96 SiN Silicon nitride 2ΣC∞v
97 N2 Nitrogen diatomic 1ΣgD∞h
98 PN Phosphorus mononitride 1ΣC∞v
99 P2 Phosphorus diatomic 1ΣgD∞h
100 HNC hydrogen isocyanide 1ΣC∞v
101 HCN Hydrogen cyanide 1ΣC∞v
102 HCP Phosphaethyne 1ΣC∞v
103 HPO Hydrogen phosphorus oxide 1A'Cs
104 N2H2 (E)-diazene 1AgC2h
105 CH2NH Methanimine 1A'Cs
106 CH2PH Phosphaethene 1A'Cs
107 N2H4 Hydrazine 1AC2
108 P2H4 Diphosphine 1AC2
109 CH3NH2 methyl amine 1A'Cs
110 CH3PH2 Methyl phosphine 1A'Cs
111 NH3NH3 Ammonia Dimer 1AgC2h
112 LiO lithium oxide 2ΣC∞v
113 NaO sodium monoxide 2ΣC∞v
114 CuO Copper Monoxide 2ΠC∞v
115 BeO beryllium oxide 1ΣC∞v
116 BeS beryllium sulfide 1ΣC∞v
117 MgO magnesium oxide 1Σ+C∞v
118 CaO Calcium monoxide 1ΣC∞v
119 MgS magnesium sulfide 1ΣC∞v
120 BO boron monoxide 2ΣC∞v
121 AlO Aluminum monoxide 2ΣC∞v
122 BS boron sulfide 2ΣC∞v
123 AlS Aluminum sulfide 2ΣC∞v
124 CO Carbon monoxide 1ΣC∞v
125 CS carbon monosulfide 1ΣC∞v
126 SiO Silicon monoxide 1ΣC∞v
127 SiS silicon monosulfide 1ΣC∞v
128 NO Nitric oxide 2ΠC∞v
129 NS Mononitrogen monosulfide 2ΠC∞v
130 PO Phosphorus monoxide 2ΠC∞v
131 PS phosphorus sulfide 2ΣC∞v
132 O2 Oxygen diatomic 3ΣgD∞h
133 SO Sulfur monoxide 3ΣC∞v
134 S2 Sulfur diatomic 3ΣgD∞h
135 SeO Selenium monoxide 3ΣC∞v
136 Se2 Selenium diatomic 3ΣgD∞h
137 LiOH lithium hydroxide 1ΣC∞v
138 NaOH sodium hydroxide 1ΣC∞v
139 BeOH beryllium monohydroxide 2A'Cs
140 MgOH magnesium hydroxide 2A'Cs
141 HBO Boron hydride oxide 1ΣC∞v
142 HBS hydrogen boron sulfide 1ΣC∞v
143 HCO Formyl radical 2A'Cs
144 HNO Nitrosyl hydride 1A'Cs
145 HO2 Hydroperoxy radical 2A"Cs
146 H2CO Formaldehyde 1A1C2v
147 H2CS Thioformaldehyde 1A1C2v
148 H2O2 Hydrogen peroxide 1AC2
149 H2S2 Disulfane 1AC2
150 CH2OH Hydroxymethyl radical 2AC1
151 CH3O Methoxy radical 2A'C1
152 CH3S thiomethoxy 2A'C3v
153 NH2OH hydroxylamine 1A'Cs
154 CH3OH Methyl alcohol 1A'Cs
155 CH3SH Methanethiol 1A'Cs
156 CH3SeH Methane selenol 1A'Cs
157 H2OH2O water dimer 1A'Cs
158 H2ONH3 Water Ammonia Dimer 1A'C1
159 LiF lithium fluoride 1ΣC∞v
160 LiCl lithium chloride 1ΣC∞v
161 NaF sodium fluoride 1ΣC∞v
162 NaCl Sodium Chloride 1ΣC∞v
163 CuF Copper monofluoride 1ΣC∞v
164 LiBr Lithium Bromide 1ΣC∞v
165 CuCl Copper monochloride 1ΣC∞v
166 NaBr Sodium Bromide 1ΣC∞v
167 BeF Beryllium monofluoride 2ΣC∞v
168 BeCl beryllium monochloride 2ΣC∞v
169 MgF Magnesium monofluoride 2ΣC∞v
170 MgCl magnesium monochloride 2ΣC∞v
171 BF Boron monofluoride 1ΣC∞v
172 AlF Aluminum monofluoride 1Σ+C∞v
173 BCl boron monochloride 1ΣC∞v
174 CF Fluoromethylidyne 2ΠC∞v
175 CCl carbon monochloride 2ΠC∞v
176 SiF silicon monofluoride 2ΠC∞v
177 SiCl Clorosilylidyne 2ΠC∞v
178 NF nitrogen fluoride 3ΣC∞v
179 PF phosphorus monofluoride 3ΣC∞v
180 PCl phosphorus chloride 3ΣC∞v
181 FO Oxygen monofluoride 2ΠC∞v
182 ClO Monochlorine monoxide 2ΠC∞v
183 SF Monosulfur monofluoride 2ΠC∞v
184 SCl sulfur monochloride 2ΠC∞v
185 BrCl Bromine monochloride 1ΣC∞v
186 F2 Fluorine diatomic 1ΣgD∞h
187 ClF Chlorine monofluoride 1Σ+C∞v
188 Cl2 Chlorine diatomic 1ΣgD∞h
189 BrF Bromine monofluoride 1ΣC∞v
190 Br2 Bromine diatomic 1ΣgD∞h
191 HCF Fluoromethylene 1A'Cs
192 HOF Hypofluorous acid 1A'Cs
193 DOCl Hypochlorous acid-d 1A'Cs
194 HOCl hypochlorous acid 1A'Cs
195 HOBr Hypobromous acid 1A'Cs
196 H2F2 Hydrogen fluoride dimer 1AgCs
197 CH3F Methyl fluoride 1A1C3v
198 CH3Cl Methyl chloride 1A1C3v
199 SiH3F monofluorosilane 1A1C3v
200 SiH3Cl chlorosilane 1A1C1
201 CH3Br methyl bromide 1A1C3v
202 C3 carbon trimer 1ΣgD∞h
203 C3H3 Propargyl radical 2B1Cs
204 CH2CCH2 allene 1A1D2d
205 CH3CCH propyne 1A'C3v
206 C3H5 Allyl radical 2A2C2v
207 C3H6 Cyclopropane 1A1'D3h
208 CH2CHCH3 Propene 1A'Cs
209 C3H7 n-Propyl radical 2A"C1
210 CH3CHCH3 Isopropyl radical 2AC2
211 C3H8 Propane 1A1C2v
212 HN3 hydrogen azide 1A'Cs
213 CH3CN Acetonitrile 1A1C3v
214 CH3NC methyl isocyanide 1A1C3v
215 NHCHNH2 aminomethanimine 1AC1
216 C2H5N Aziridine 1A'C1
217 CH3CH2NH2 Ethylamine 1A'Cs
218 CH3NHCH3 Dimethylamine 1A'Cs
219 Li2O dilithium oxide 1ΣgD∞h
220 BO2 Boron dioxide 2A'D∞h
221 N2O Nitrous oxide 1ΣC∞v
222 CO2 Carbon dioxide 1ΣgD∞h
223 OCS Carbonyl sulfide 1ΣC∞v
224 SiO2 silicon dioxide 1ΣgD∞h
225 CS2 Carbon disulfide 1ΣgD∞h
226 OCSe Carbonyl selenide 1ΣC∞v
227 NO2 Nitrogen dioxide 2A1C2v
228 PO2 Phosphorus dioxide 2A1C2v
229 O3 Ozone 1A1Cs
230 SO2 Sulfur dioxide 1A1C2v
231 SSO Disulfur monoxide 1A'Cs
232 SeO2 Selenium dioxide 1A1C2v
233 HCNO fulminic acid 1ΣC∞v
234 HNCO Isocyanic acid 1A'Cs
235 HOCN cyanic acid 1A'Cs
236 HNO2 Nitrous acid 1A'Cs
237 CH2CO Ketene 1A1C2v
238 HCCOH ethynol 1A'Cs
239 HCOOH Formic acid 1A'Cs
240 CH3CO Acetyl radical 2A'Cs
241 CHONH2 formamide 1A'Planar
242 CH3OO methylperoxy radical 2A"Cs
243 C2H4O Ethylene oxide 1A1C2v
244 CH2CHOH ethenol 1A'Cs
245 CH3CHO Acetaldehyde 1A'Cs
246 C2H4S Thiirane 1A1C2v
247 CH3CHS Thioacetaldehyde 1A'C1
248 CH3OOH Methyl peroxide 1AC1
249 H2OH2CO water formaldehyde dimer 1AC1
250 CH3CH2OH Ethanol 1A'Cs
251 CH3OCH3 Dimethyl ether 1A1C2v
252 CH3CH2SH ethanethiol 1A'Cs
253 CH3SCH3 Dimethyl sulfide 1A1C2v
254 CH3OHH2O methanol water dimer 1A'C1
255 H2OCH3OH water methanol dimer 1AC1
256 FCN Cyanogen fluoride 1ΣC∞v
257 ClCN chlorocyanogen 1ΣC∞v
258 BrCN Cyanogen bromide 1ΣC∞v
259 MgCl2 Magnesium dichloride 1ΣgC2v
260 FNO Nitrosyl fluoride 1A'Cs
261 ClNO Nitrosyl chloride 1A'Cs
262 CF2 Difluoromethylene 1A1D∞h
263 CCl2 dichloromethylene 1A1C2v
264 SiCl2 Dichlorosilylene 1A1C2v
265 FOO Dioxygen monofluoride radical 2A"Cs
266 ClOO chloroperoxy radical 2A"Cs
267 OClO Chlorine dioxide 2B1D∞h
268 ClS2 Sulfur chloride 2A"Cs
269 NF2 Difluoroamino radical 2B1C2v
270 F2O Difluorine monoxide 1A1C2v
271 SF2 sulfur difluoride 1A1C2v
272 Cl2O Dichlorine monoxide 1A1C2v
273 SCl2 Sulfur dichloride 1A1C2v
274 BHF2 Difluoroborane 1A1C2v
275 BHCl2 Borane, dichloro- 1A1C2v
276 CH2F2 Methane, difluoro- 1A1C2v
277 CH2FCl fluorochloromethane 1A'Cs
278 CH2Cl2 Methylene chloride 1A1C2v
279 CH2Br2 dibromomethane 1A1C2v
280 SiH2Cl2 dichlorosilane 1A1C2v
281 CH2CHF Ethene, fluoro- 1A'Cs
282 C2H3Cl Ethene, chloro- 1A'Cs
283 C2H3Br vinyl bromide 1A'Cs
284 C2H5F fluoroethane 1A'Cs
285 CH3CH2Cl Ethyl chloride 1A'Cs
286 C2H5Br Ethyl bromide 1A'Cs
287 C4 Carbon tetramer 3ΣgD∞h
288 C4H2 Diacetylene 1ΣgD∞h
289 C2H3CCH 1-Buten-3-yne 1A'C1
290 H2CCCCH2 Butatriene 1AgD2h
291 C4H6 1-Methylcyclopropene 1AC1
292 C4H6 Cyclobutene 1A1C2v
293 C4H6 Methylenecyclopropane 1A1C2v
294 CH2CCHCH3 1,2-Butadiene 1A'C1
295 CH2CHCHCH2 1,3-Butadiene 1AgC2h
296 CH3CCCH3 2-Butyne 1A1'D3h
297 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
298 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
299 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
300 C(CH3)3 Tert-butyl radical 2A"C3v
301 CH2CH(CH3)2 Isobutyl radical 2A'C1
302 CH3CHCH2CH3 2-Butyl radical 1AC1
303 CH3CH(CH3)CH3 Isobutane 1A1C3v
304 CH3CH2CH2CH3 Butane 1AgAnti
305 C2N2 Cyanogen 1ΣgD∞h
306 P4 Phosphorus tetramer 1A1Td
307 HCCCN Cyanoacetylene 1ΣC∞v
308 C3H3N acrylonitrile 1A'Cs
309 C3H7N Cyclopropylamine 1A'C1
310 C4H8 cyclobutane 1A1D2d
311 C2H8N2 Ethylenediamine 1AgC2h
312 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
313 N(CH3)3 Trimethylamine 1A1C3v
314 NH2CH2CH2CH3 1-Propanamine 1A'Cs
315 B2O2 Diboron dioxide 1ΣgD∞h
316 NO3 Nitrogen trioxide 2A1'all bonds equal
317 SO3 Sulfur trioxide 1A1'D3h
318 HNO3 Nitric acid 1A'Cs
319 C2H2O2 Ethanedial 1AgC2h
320 CH3NO2 Methane, nitro- 1A'Cs
321 CH3ONO Methyl nitrite 1A'C1
322 C3H4O 2-Propyn-1-ol 1A'Cs
323 C3H4O allenol 1A'Cs
324 C3H4O Cyclopropanone 1A1C2v
325 C3H4O Methylketene 1A'Cs
326 CH2CHCHO Acrolein 1A'Cs
327 NH2CONH2 Urea 1AC2
328 NH2CSNH2 Thiourea 1AC2
329 CH3COOH Acetic acid 1A'Cs
330 CH3OCHO methyl formate 1A'Cs
331 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
332 H2OHCOOH Water formic acid dimer 1 1AC1
333 H2OHCOOH Water formic acid dimer 2 1AC1
334 HCOOHH2O Formic acid water dimer 1AC1
335 CH3CHNOH Acetaldoxime 1A'CS trans
336 CH3CONH2 Acetamide 1A'C1
337 C3H6O Propylene oxide 1AC1
338 CH3CH2CHO Propanal 1A'Cs
339 CH3COCH3 Acetone 1A1C2v
340 C3H6S Thietane 1A'Cs
341 C3H6S Thiirane, methyl- 1AC1
342 C2H6O2 1,2-Ethanediol 1AgC2h
343 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
344 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
345 CH3SSCH3 Disulfide, dimethyl 1AC2
346 CH3CHOHCH3 Isopropyl alcohol 1AC1
347 CH3OC2H5 Ethane, methoxy- 1A'Cs
348 C3H7SH 1-Propanethiol 1A'Cs
349 CH3CHSHCH3 2-Propanethiol 1A'Cs
350 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
351 H2OCH3OCH3 water dimethylether dimer 1AC1
352 Na2Cl2 Disodium dichloride 1AgC2h
353 C2F2 difluoroacetylene 1ΣgD∞h
354 C2Cl2 dichloroacetylene 1ΣgC2h
355 ClNO2 Nitryl chloride 1A1C2v
356 N2F2 (Z)-Difluorodiazene 1A1C2v
357 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
358 CF2O Carbonic difluoride 1A1C2v
359 CCl2O Phosgene 1A1C2v
360 BF3 Borane, trifluoro- 1A'D3h
361 AlF3 Aluminum trifluoride 1A1'D3h
362 AlF2Cl Aluminum chloride difluoride 1A1C2v
363 AlFCl2 Aluminum dichloride fluoride 1A1C2v
364 BCl3 Borane, trichloro- 1A1'D3h
365 AlCl3 Aluminum trichloride 1A1'D3h
366 CF3 Trifluoromethyl radical 2A1C3v
367 CCl3 Trichloromethyl radical 2A1C3
368 SOCl2 thionyl chloride 1A'Cs
369 NF3 Nitrogen trifluoride 1A1C3v
370 PF3 Phosphorus trifluoride 1A1C3v
371 PCl3 Phosphorus trichloride 1A1C3v
372 ClSSCl Disulfur dichloride 1AC2
373 BrF3 Bromine trifluoride 1A1C2v
374 CHF3 Methane, trifluoro- 1A1C3v
375 CHF2Cl difluorochloromethane 1A'Cs
376 CHFCl2 fluorodichloromethane 1A'Cs
377 CHCl3 Chloroform 1A1C3v
378 SiHCl3 Trichlorosilane 1A1C3v
379 CHBr3 bromoform 1A1C3v
380 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
381 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
382 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
383 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
384 CH3COF Acetyl fluoride 1A'NULL
385 CH3COCl Acetyl Chloride 1A'Cs
386 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
387 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
388 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
389 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
390 C3H5Cl 1-Propene, 3-chloro- 1AC1
391 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
392 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
393 C5H8 1,4-Pentadiene 1AC2
394 C5H10 2-Butene, 2-methyl- 1A'Cs
395 C5H10 Cyclopentane 1AC1
396 C4H5N Pyrrole 1A1C2v
397 CH3OCH2CN Methoxyacetonitrile 1A'Cs
398 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
399 C2H6O2S Dimethyl sulfone 1A1C2v
400 C4H8O Cyclobutanol 1A'C1
401 CH3COCH2CH3 2-Butanone 1A'Cs
402 C3H8O2 Methane, dimethoxy- 1AC2
403 CF3Cl Methane, chlorotrifluoro- 1A1C3v
404 CF2Cl2 difluorodichloromethane 1A1C2v
405 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
406 C2F6 hexafluoroethane 1A1gD3d

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 diatomic anion h2-  
5 H2+ Hydrogen cation h2+  
6 H3+ hydrogen trimer cation h3+  
7 He- Helium atom anion he-  
8 He+ Helium atom cation he+  
9 HeH Helium hydride heh  
10 HeH+ Helium hydride cation heh+  
11 He2+ helium diatomic cation he2+  
12 Li- Lithium atom anion li-  
13 Li+ Lithium atom cation li+  
14 Na- Sodium atom anion na-  
15 Na+ Sodium atom cation na+  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu- Copper atom anion cu-  
19 Cu+ Copper atom cation cu+  
20 LiH- lithium hydride anion lih-  
21 LiH+ lithium hydride cation lih+  
22 NaH- sodium hydride anion nah-  
23 NaH+ sodium hydride cation nah+  
24 KH Potassium hydride kh  
25 KH+ Potassium hydrogen cation kh+  
26 CuH Copper monohydride cuh  
27 Be- Beryllium atom anion be-  
28 Be+ Beryllium atom cation be+  
29 Mg- Magnesium atom anion mg-  
30 Mg+ Magnesium atom cation mg+  
31 Ca- Calcium atom anion ca-  
32 Ca+ Calcium atom cation ca+  
33 Zn- Zinc atom anion zn-  
34 Zn+ Zinc atom cation zn+  
35 BeH- berylium monohydride anion beh-  
36 BeH+ beryllium monohydride cation beh+  
37 MgH- magnesium monohydride anion mgh-  
38 MgH+ magnesium monohydride cation 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 cation beh2+  
45 CaH2 Calcium Hydride cah2  
46 ZnH2 Zinc hydride znh2  
47 B- Boron atom anion b-  
48 B+ Boron atom cation b+  
49 Al- Aluminum atom anion al-  
50 Al+ Aluminum atom cation al+  
51 Sc Scandium atom sc  
52 Sc+ Scandium cation sc+  
53 Ga Gallium atom ga  
54 Ga- Gallium atom anion ga-  
55 Ga+ Gallium atom cation ga+  
56 BH- boron monohydride anion bh-  
57 BH+ boron monohydride cation bh+  
58 AlH- aluminum monohydride anion alh-  
59 AlH+ aluminum monohydride cation alh+  
60 ScH Scandium monohydride sch  
61 ScH+ Scandium monohydride cation sch+  
62 GaH Gallium monohydride gah  
63 GaH+ Gallium monohydride cation gah+  
64 BH2- boron dihydride anion bh2-  
65 BH2+ Boron dihydride cation bh2+  
66 AlH2- aluminum dihydride anion alh2-  
67 AlH2+ aluminum dihydride cation alh2+  
68 BH3- boron trihydride anion bh3-  
69 BH3+ boron trihydride cation bh3+  
70 AlH3- aluminum trihydride anion alh3-  
71 AlH3+ aluminum trihydride cation alh3+  
72 ScH3 Scandium trihydride sch3  
73 GaH3 Gallium trihydride gah3  
74 BH4 borohydride bh4  
75 BH4- borohydride anion bh4-  
76 AlH4- Aluminum tetrahydride anion alh4-  
77 C- Carbon atom anion c-  
78 C+ Carbon atom cation c+  
79 Si- Silicon atom anion si-  
80 Si+ Silicon atom cation si+  
81 Ti- Titanium atom anion ti-  
82 Ti+ Titanium atom cation ti+  
83 Ge Germanium atom ge  
84 Ge- Germanium anion ge-  
85 Ge+ Germanium cation ge+  
86 Sn Tin atom sn  
87 Sn+ Tin cation sn+  
88 CH- methylidyne anion ch-  
89 CH+ Methylidyne cation ch+  
90 SiH- silicon monohydride anion sih-  
91 SiH+ silicon monohydride cation sih+  
92 GeH germylidene geh  
93 GeH+ Germaniun monohyrdide cation geh+  
94 CH2- methylene anion ch2-  
95 CH2+ methylene cation ch2+  
96 SiH2- silicon dihydride anion sih2-  
97 SiH2+ silicon dihydride cation sih2+  
98 GeH2 germylene geh2  
99 GeH2- germylene anion geh2-  
100 CH3- methyl anion ch3-  
101 CH3+ methyl cation ch3+  
102 SiH3- Silyl anion sih3-  
103 SiH3+ Silyl cation sih3+  
104 GeH3 Germyl radical geh3  
105 GeH3+ germyl cation geh3+  
106 CD4 methane-d4 cd4  
107 CH2D2 methane-d2 ch2d2  
108 CH3D methane-d ch3d  
109 CH4- Methane anion ch4-  
110 CH4+ Methane cation ch4+  
111 CHD3 methane-d3 chd3  
112 SiH2D2 silane-d2 sih2d2  
113 SiH4+ Silane cation sih4+  
114 GeH4 Germane geh4  
115 SnH4 Stannane snh4  
116 SiH5+ Silane, protonated sih5+  
117 N- Nitrogen atom anion n-  
118 N+ Nitrogen atom cation n+  
119 P- Phosphorus atom anion p-  
120 P+ Phosphorus atom cation p+  
121 V Vanadium atom v  
122 V+ Vanadium atom cation v+  
123 As Arsenic atomic as  
124 As- Arsenic anion as-  
125 As+ Arsenic cation as+  
126 Sb Antimony atom sb  
127 NH- Imidogen anion nh-  
128 NH+ imidogen cation nh+  
129 PH- phosphorus monohydride anion ph-  
130 PH+ phosphorus monohydride cation ph+  
131 AsH Arsenic monohydride ash  
132 AsH+ Arsenic monohydride cation ash+  
133 SbH Antimony monohydride sbh  
134 NH2- amino anion nh2-  
135 NH2+ Amino cation nh2+  
136 PH2- Phosphino anion ph2-  
137 PH2+ Phosphino cation ph2+  
138 AsH2 Arsenic dihydride ash2  
139 AsH2+ Arsenic dihydride cation ash2+  
140 NH3- Ammonia anion nh3-  
141 NH3+ ammonia cation nh3+  
142 PH3+ Phosphine cation ph3+  
143 AsH3 Arsine ash3  
144 AsH3+ Arsine cation ash3+  
145 SbH3 Stibine sbh3  
146 AsH4+ Arsonium ash4+  
147 NH4 Ammonium radical nh4  
148 NH4+ ammonium cation nh4+  
149 PH4 Phosphoranyl radical ph4  
150 PH4+ phosphonium cation ph4+  
151 O- Oxygen atom anion o-  
152 O+ Oxygen atom cation o+  
153 S- Sulfur atom anion s-  
154 S+ Sulfur atom cation s+  
155 Cr Chromium atom cr  
156 Se- Selenium atom anion se-  
157 Se+ Selenium atom cation se+  
158 Te Tellurium atom te  
159 Te+ Tellurium atom cation te+  
160 OH- hydroxide anion oh-  
161 OH+ hydoxyl cation oh+  
162 HS- mercapto anion sh-  
163 HS+ sulfur monohydride cation sh+  
164 CrH Chromium hydride crh  
165 CrH+ Chromium hydride cation crh+  
166 HSe- selenium monohydride anion hse-  
167 HSe+ selenium monohydride cation hse+  
168 TeH Telluryl radical teh  
169 H2O- water anion h2o-  
170 H2O+ water cation h2o+  
171 H2S- Hydrogen sulfide anion h2s-  
172 H2S+ Hydrogen sulfide cation h2s+  
173 H2Se+ Hydrogen selenide cation h2se+  
174 H2Te Hydrogen Telluride h2te  
175 H3O+ hydronium cation h3o+  
176 H3S+ Sulfonium cation h3s+  
177 H3Se+ Hydrogen Selenide, protonated h3se+  
178 F- Fluorine atom anion f-  
179 F+ Fluorine atom cation f+  
180 Cl- Chlorine atom anion cl-  
181 Cl+ Chlorine atom cation cl+  
182 Mn Manganese atom mn  
183 Br- Bromine atom anion br-  
184 Br+ Bromine atom cation br+  
185 I Iodine atom iodine  
186 I- Iodine atom anion iodine-  
187 I+ Iodine atom cation iodine+  
188 HF- hydrogen fluoride anion hf-  
189 HF+ hydrogen fluoride cation hf+  
190 HCl- hydrogen chloride anion hcl-  
191 HCl+ hydrogen chloride cation hcl+  
192 HBr- hydrogen bromide anion hbr-  
193 HBr+ hydrogen bromide cation hbr+  
194 HI Hydrogen iodide hi  
195 HI+ Hydrogen iodide cation hi+  
196 H2F+ dihydrogen fluoride cation h2f+  
197 H2Cl+ dihydrogen monochloride cation h2cl+  
198 H2Br+ protonated hydrogen bromide h2br+  
199 H2I+ Iodonium h2i+  
200 Ne- Neon atom anion ne-  
201 Ne+ Neon atom cation ne+  
202 Ar- Argon atom anion ar-  
203 Ar+ Argon atom cation ar+  
204 Fe Iron atom fe  
205 Kr Krypton atom kr  
206 Kr+ Krypton cation kr+  
207 Xe Xenon atom xe  
208 HeLi+ Helium Lithium cation heli+  
209 NeH neon hydrogen neh  
210 NeH+ neon hydrogen cation neh+  
211 ArH+ Argon hydride cation arh+  
212 KrH+ Protonated Krypton krh+  
213 XeH+ Xenon, protonated xeh+  
214 H2Ar H2 Ar dimer h2ar  
215 Co Cobalt atom cobalt  
216 Ni Nickel atom ni  
217 Li2- lithium diatomic anion li2-  
218 Li2+ lithium diatomic cation li2+  
219 NaLi lithium sodium lina  
220 NaLi- lithium sodium anion lina-  
221 NaLi+ lithium sodium cation lina+  
222 LiK Lithium Potassium lik  
223 Na2- sodium diatomic anion na2-  
224 Na2+ sodium diatomic cation na2+  
225 NaK Sodium Potassium nak  
226 NaK+ Sodium Potassium diatomic cation nak+  
227 K2 Potassium diatomic k2  
228 Cu2 Copper diatomic cu2  
229 LiBe Lithium Beryllium libe  
230 LiMg Lithium magnesium limg  
231 NaBe Sodium Beryllium nabe  
232 NaMg Sodium Magnesium namg  
233 Be2 Beryllium diatomic be2  
234 Be2- Beryllium diatomic anion be2-  
235 Be2+ Beryllium diatomic cation be2+  
236 BeMg Beryllium Magnesium bemg  
237 Mg2- magnesium diatomic anion mg2-  
238 Mg2+ magnesium diatomic cation mg2+  
239 Ca2 Calcium diatomic ca2  
240 LiB Lithium boride lib  
241 LiAl Lithium Aluminum lial  
242 NaAl Sodium aluminum naal  
243 BeB Beryllium monoboride beb  
244 B2- Boron diatomic anion b2-  
245 B2+ Boron diatomic cation b2+  
246 BAl Boron Aluminum bal  
247 Al2- aluminum diatomic anion al2-  
248 Al2+ aluminum diatomic cation al2+  
249 BGa Boron Gallium bga  
250 AlGa Aluminum Gallium alga  
251 Ga2 Gallium diatomic ga2  
252 HBBH Diborane(2) hbbh  
253 LiBH4 Lithium borohydride libh4  
254 B2H4 Diborane(4) D2d b2h4  
255 HBHHBH Diborane(4) C2V hbhhbh  
256 B2H6+ Diborane cation b2h6  
257 Al2H6 dialane al2h6  
258 Ga2H6 digallane ga2h6  
259 LiC Lithium Carbide lic  
260 BeC Beryllium Carbide bec  
261 CaC Calcium monocarbide cac  
262 BC boron monocarbide bc  
263 BC- boron monocarbide anion bc-  
264 BC+ boron monocarbide cation bc+  
265 AlC Aluminum carbide alc  
266 BSi Boron silicide bsi  
267 C2- carbon diatomic anion c2-  
268 C2+ carbon diatomic cation c2+  
269 SiC silicon monocarbide sic  
270 SiC- silicon monocarbide anion sic-  
271 SiC+ silicon monocarbide cation sic+  
272 Si2- silcon diatomic anion si2-  
273 Si2+ silcon diatomic cation si2+  
274 GeC Germanium monocarbide gec  
275 SiGe Silicon Germanium sige  
276 Ge2 Germanium diatomic ge2  
277 C2H- Ethynyl anion c2h-  
278 C2H+ Ethynyl cation c2h+  
279 ZnCH2 Zinc methylene znch2  
280 C2H2+ acetylene cation c2h2+  
281 CCH2 vinylidene vinylidene  
282 H2CC- vinylidene anion h2cc-  
283 HCCH- acetylene anion c2h2-  
284 Si2H2 disilyne si2h2  
285 CH3Li methyl lithium ch3li  
286 CuCH3 monomethyl copper cuch3  
287 ZnCH3 Zinc monomethyl znch3  
288 CH2BH methyleneborane ch2bh  
289 C2H3- vinyl anion c2h3-  
290 C2H3+ vinyl cation c2h3+  
291 C2H4- Ethylene anion c2h4-  
292 C2H4+ Ethylene cation c2h4+  
293 CH3CH methylmethylene ch3ch  
294 CH2SiH2 silaethylene ch2sih2  
295 Si2H4 Disilene si2h4  
296 CH3BH2 methylborane ch3bh2  
297 C2H5- Ethyl anion c2h5-  
298 C2H5+ Ethyl cation c2h5+  
299 C2H6+ ethane cation c2h6+  
300 GeH3CH3 methyl germane geh3ch3  
301 C2H7+ Ethane, protonated c2h7+  
302 LiN Lithium Nitride lin  
303 LiN+ Lithium Nitride cation lin+  
304 LiP Lithium monophosphide lip  
305 BeN Beryllium mononitride ben  
306 BeN- Beryllium mononitride anion ben-  
307 BeN+ Beryllium mononitride cation ben+  
308 MgN Magnesium Nitride mgn  
309 BN- boron nitride anion bn-  
310 AlN- aluminum mononitride anion aln-  
311 AlN+ aluminum mononitride cation aln+  
312 BP Boron monophosphide bp  
313 AlP Aluminum monophosphide alp  
314 GaN Gallium mononitride gan  
315 GaP Gallium monophosphide gap  
316 GaAs Gallium arsenide gaas  
317 BN+ boron nitride cation bn+  
318 CN- cyanide anion cn-  
319 CN+ Cyano cation cn+  
320 CP- carbon monophosphide anion cp-  
321 CP+ carbon monophosphide cation cp+  
322 SiN- silicon mononitride anion sin-  
323 SiN+ silicon mononitride cation sin+  
324 SiP Silicon monophosphide sip  
325 SiP- Silicon monophosphide anion sip-  
326 SiP+ Silicon monophosphide cation sip+  
327 TiN Titanium mononitride tin  
328 N2- nitrogen diatomic anion n2-  
329 N2+ diatomic nitrogen cation n2+  
330 PN- phosphorus nitride anion pn-  
331 PN+ phosphorus nitride cation pn+  
332 P2- phosphorus diatomic anion p2-  
333 P2+ phosphorus diatomic cation p2+  
334 AsN Arsenic mononitride asn  
335 AsP Arsenic monophosphide asp  
336 SbN Antimony nitride sbn  
337 As2 Arsenic diatomic as2  
338 HNB hydrogen nitrogen boron hnb  
339 HCN- Hydrogen cyanide anion hcn-  
340 HCN+ hydrogen cyanide cation hcn+  
341 HNC+ hydrogen isocyanide cation hnc+  
342 HCP+ Phosphaethyne cation hcp+  
343 NNH Dinitrogen monohydride nnh  
344 NNH+ Dinitrogen monohydride cation nnh+  
345 HPO+ Hydrogen phosphorus oxide cation hpo+  
346 LiNH2 lithium amide linh2  
347 HBNH Boranimine hbnh  
348 CNH2 Aminomethylidyne radical cnh2  
349 CNH2+ N-protonated hydrogen isocyanide cnh2+  
350 H2CN Dihydrogen cyanide radical h2cn  
351 H2CN+ hydrocyanonium cation h2cn+  
352 HCNH methyleneazane hcnh  
353 HCNH+ N-protonated HCN hcnh+  
354 H2NN Isodiazene h2nn  
355 N2H2 (Z)-Diazene n2h2z  
356 N2H2+ trans-diazene cation n2h2+  
357 CH2NH+ Methanimine cation ch2nh+  
358 CHNH2 aminomethylene chnh2  
359 CHNH2+ Aminocarbene cation chnh2+  
360 BH2NH2 Boranamine bh2nh2  
361 CH2NH2+ methyleneamine cation ch2nh2+  
362 N2H4+ hydrazine cation n2h4+  
363 CH3NH2+ methyl amine cation ch3nh2+  
364 SiH3NH2 Silane, amino sih3nh2  
365 N2H5+ protonated hydrazine n2h5+  
366 BH3PH3 borane phosphine bh3ph3  
367 BH3NH3 borane ammonia bh3nh3  
368 CH3NH3 methyl ammonium radical ch3nh3  
369 CH3NH3+ protonated methylamine ch3nh3+  
370 CH3PH3+ methyl phosphine, protonated ch3ph3+  
371 N2H7+ ammonia ammonium dimer n2h7+  
372 LiO- lithium oxide anion lio-  
373 LiO+ lithium oxide cation lio+  
374 LiS Lithium monosulfide lis  
375 LiS+ Lithium sulfide cation lis+  
376 NaO- sodium oxide anion nao-  
377 NaO+ sodium oxide cation nao+  
378 KO Potassium monoxide ko  
379 KO+ Potassium monoxide cation ko+  
380 NaS Sodium sulfide nas  
381 LiSe Lithium monoselenide lise  
382 BeO- Beryllium monoxide anion beo-  
383 BeO+ Beryllium monoxide cation beo+  
384 MgO- magnesium oxide anion mgo-  
385 MgO+ magnesium oxide cation mgo+  
386 MgS- magnesium sulfide anion mgs-  
387 MgS+ magnesium sulfide cation mgs+  
388 CaS Calcium sulfide cas  
389 ZnO zinc monoxide zno  
390 ZnS Zinc sulfide zns  
391 BeS- Beryllium monosulfide anion bes-  
392 BeS+ Beryllium monosulfide cation bes+  
393 BO- boron monoxide anion bo-  
394 AlO- Aluminum monoxide anion alo-  
395 AlO+ aluminum monoxide cation alo+  
396 BS- boron monosulfide anion bs-  
397 BS+ boron monosulfide cation bs+  
398 AlS- aluminum monosulfide anion als-  
399 AlS+ aluminum monosulfide cation als+  
400 ScO Scandium monoxide sco  
401 GaO Gallium monoxide gao  
402 GaS Gallium monosulfide gas  
403 BO+ boron monoxide cation bo+  
404 CO- carbon monoxide anion co-  
405 CO+ carbon monoxide cation co+  
406 CS- carbon monosulfide anion cs-  
407 CS+ carbon monosulfide cation cs+  
408 SiO- silicon monoxide anion sio-  
409 SiO+ silicon monoxide cation sio+  
410 SiS- silicon monosulfide anion sis-  
411 SiS+ silicon monosulfide cation sis+  
412 TiO Titanium monoxide tio  
413 CSe Carbon monoselenide cse  
414 CSe- Carbon monoselenide anion cse-  
415 CSe+ Carbon monoselenide cation cse+  
416 GeO Germanium monoxide geo  
417 GeO+ Germanium monoxide cation geo+  
418 GeS Germanium monosulfide ges  
419 SiSe Silicon Monoselenide sise  
420 SiSe+ Silicon Monoselenide cation sise+  
421 GeSe Germanium monoselenide gese  
422 NO- nitric oxide anion no-  
423 NO+ nitric oxide cation no+  
424 NS- nitrogen sulfide anion ns-  
425 NS+ nitrogen sulfide cation ns+  
426 PO- phosphorus monoxide anion po-  
427 PO+ phosphorus monoxide cation po+  
428 PS- phosphorus monosulfide anion ps-  
429 PS+ phosphorus monosulfide cation ps+  
430 VO Vanadium monoxide vo  
431 AsO Arsenic monoxide aso  
432 NSe Nitrogen monoselenide nse  
433 AsS Arsenic monosulfide ass  
434 PSe Phosphorus monoselenide pse  
435 AsSe Arsenic monoselenide asse  
436 O2- oxygen diatomic anion o2-  
437 O2-- dioxygen dianion o2--  
438 O2+ diatomic oxygen cation o2+  
439 SO- sulfur monoxide anion so-  
440 SO+ sulfur monoxide cation so+  
441 S2- sulfur diatomic anion s2-  
442 S2+ sulfur diatomic cation s2+  
443 SeO- selenium monoxide anion seo-  
444 SeO+ selenium monoxide cation seo+  
445 SeS Selenium monosulfide ses  
446 SeS- selenium monosulfide anion ses-  
447 SeS+ selenium monosulfide cation ses+  
448 TeO Tellurium monoxide teo  
449 Se2- selenium diatomic anion se2-  
450 Se2+ selenium diatomic cation se2+  
451 Te2 Tellurium diatomic te2  
452 KOH Potassium hydroxide koh  
453 CaOH Calcium monohydroxide caoh  
454 COH Hydroxymethylidyne coh  
455 COH+ Carbon Monoxide, protonated coh+  
456 HCO- formyl anion hco-  
457 HCO+ Formyl cation hco+  
458 HCS Thioformyl radical hcs  
459 HCS- Thioformyl anion hcs-  
460 HCS+ Thioformyl cation hcs+  
461 HNO- Nitrosyl hydride anion hno-  
462 HNO+ Nitrosyl hydride cation hno+  
463 NOH Hydroxyimidogen noh  
464 NOH+ O-protonated nitric oxide noh+  
465 HNS Sulfur imide hns  
466 HNS- Sulfur imide anion hns-  
467 HO2- Hydroperoxy anion ho2-  
468 HO2+ Hydroperoxy cation ho2+  
469 HSO+ Sulfur Monoxide, S-protonated HSO+  
470 SOH Sulfur Hydroxide soh  
471 SOH+ Sulfur Monoxide, protonated soh+  
472 HS2 Thiosulfeno radical hs2  
473 H2CO- formaldehyde anion h2co-  
474 H2CO+ formaldehyde cation h2co+  
475 HOCH hydroxycarbene hoch  
476 H2CS- thioformaldehyde anion h2cs-  
477 H2CS+ thioformaldehyde cation h2cs+  
478 H2CSe Selenoformaldehyde h2cse  
479 H2NO nitroxide h2no  
480 H2O2+ Hydrogen peroxide cation h2o2+  
481 H2OO water oxide h2oo  
482 HOSH hydrogen thioperoxide hosh  
483 H2S2+ hydrogen disulfide cation h2s2+  
484 H2Se2 hydrogen diselenide h2se2  
485 CH2OH+ hydroxymethyl cation ch2oh+  
486 CH3O- methoxy anion ch3o-  
487 CH3O+ Methoxy cation ch3o+  
488 H2CSH+ Thioformaldehyde, protonated h2csh+  
489 NH2OH+ Hydroxylamine cation nh2oh+  
490 NH3O Ammonia Oxide nh3o  
491 H2POH Phosphinous acid h2poh  
492 H3PO Phosphine oxide h3po  
493 NH2SH Thiohydroxylamine nh2sh  
494 NH3S sulfidoazane nh3s  
495 H3O2+ hydrogen peroxide, protonated h3o2+  
496 CH3OH- Methyl alcohol anion ch3oh-  
497 CH3OH+ Methyl alcohol cation ch3oh+  
498 CH3SH+ Methanethiol cation ch3sh+  
499 SiH3OH silanol sih3oh  
500 NH2OH2+ protonated hydroxylamine nh2oh2+  
501 NH3OH+ N-protonated hydroxylamine nh3oh+  
502 CH3OH2+ Methanol, protonated ch3oh2+  
503 CH3SH2+ protonated methylsulfide ch3sh2+  
504 H5O2+ Dihydroxonium ion h5o2+  
505 LiCl- lithium chloride anion licl-  
506 LiCl+ lithium chloride cation licl+  
507 NaF- sodium fluoride anion naf-  
508 NaF+ sodium fluoride cation naf+  
509 KF Potassium Fluoride kf  
510 NaCl- sodium chloride anion nacl-  
511 NaCl+ sodium chloride cation nacl+  
512 KCl Potassium Chloride kcl  
513 LiBr- lithium bromide anion libr-  
514 LiBr+ lithium bromide cation libr+  
515 NaBr- sodium bromide anion nabr-  
516 NaBr+ sodium bromide cation nabr+  
517 KBr Potassium Bromide kbr  
518 LiI Lithium Iodide lii  
519 NaI Sodium Iodide nai  
520 KI Potassium Iodide ki  
521 LiF- lithium fluoride anion lif-  
522 LiF+ lithium fluoride cation lif+  
523 BeF- Beryllium monofluoride anion bef-  
524 BeF+ Beryllium monofluoride cation bef+  
525 MgF- magnesium fluoride anion mgf-  
526 MgF+ magnesium fluoride cation mgf+  
527 CaF Calcium monofluoride caf  
528 MgCl- magnesium monochloride anion mgcl-  
529 MgCl+ magnesium monochloride cation mgcl+  
530 CaCl calcium monochloride cacl  
531 TiCl Titanium Monochloride ticl  
532 ZnF Zinc monofluoride znf  
533 ZnF- Zinc monofluoride anion znf-  
534 ZnF+ Zinc monofluoride cation znf+  
535 ZnCl Zinc monochloride zncl  
536 CaBr Calcium monobromide cabr  
537 BeCl- beryllium monochloride anion becl-  
538 BeCl+ beryllium monochloride cation becl+  
539 BF- Boron monofluoride anion bf-  
540 BF+ Boron monofluoride cation bf+  
541 AlF- Aluminum monofluoride anion alf-  
542 AlF+ Aluminum monofluoride cation alf+  
543 BCl- boron monochloride anion bcl-  
544 BCl+ boron monochloride cation bcl+  
545 AlCl Aluminum monochloride alcl  
546 AlCl- aluminum monochloride anion alcl-  
547 AlCl+ aluminum monochloride cation alcl+  
548 ScF Scandium monofluoride scf  
549 BBr Boron monobromide bbr  
550 GaF Gallium monofluoride gaf  
551 GaF+ Gallium monofluoride cation gaf+  
552 AlBr Aluminum monobromide albr  
553 GaCl Gallium monochloride gacl  
554 GaCl+ Gallium monochloride cation gacl+  
555 AlI Aluminum monoiodide ali  
556 GaBr Gallium monobromide gabr  
557 CF- carbon monofluoride anion cf-  
558 CF+ carbon monofluoride cation cf+  
559 CCl- carbon monochloride anion ccl-  
560 CCl+ carbon monochloride cation ccl+  
561 SiF- silicon monofluoride anion sif-  
562 SiF+ silicon monofluoride cation sif+  
563 SiCl- silicon monochloride anion sicl-  
564 SiCl+ silicon monochloride cation sicl+  
565 CBr Carbon monobromide cbr  
566 GeF Germanium monofluoride gef  
567 GeF+ Germanium monofluoride cation gef+  
568 GeCl Germanium monochloride gecl  
569 GeCl+ Germanium monochloride cation gecl+  
570 SiBr Silicon monobromide sibr  
571 SiBr+ Silicon monobromide cation sibr+  
572 NF- nitrogen monofluorine anion nf-  
573 NF+ nitrogen monofluoirde cation nf+  
574 NCl nitrogen monochloride ncl  
575 NCl- nitrogen monochloride anion ncl-  
576 NCl+ nitrogen monochloride cation ncl+  
577 PF- phosphorus monofluoride anion pf-  
578 PF+ phosphorus monofluoride cation pf+  
579 PCl- phosphorus monochloride anion pcl-  
580 PCl+ phosphorus monochloride cation pcl+  
581 AsF Arsenic monofluoride asf  
582 NBr nitrogen monobromide nbr  
583 AsCl Arsenic monochloride ascl  
584 PBr Phosphorus monobromide pbr  
585 SbF Antimony monofluoride sbf  
586 SbCl Antimony monochloride sbcl  
587 FO- flourine oxide anion fo-  
588 FO+ fluorine monoxide cation fo+  
589 ClO- chlorine monoxide anion clo-  
590 ClO+ chlorine monoxide cation clo+  
591 SF- sulfur monofluoride anion sf-  
592 SF+ sulfur monofluoride cation sf+  
593 SCl- sulfur monochloride anion scl-  
594 SCl+ sulfur monochloride cation scl+  
595 BrO Bromine monoxide bro  
596 BrO- Bromine monoxide anion bro-  
597 BrO+ Bromine monoxide cation bro+  
598 SeF Selenium monofluoride sef  
599 SBr Sulfur monobromide radical sbr  
600 SBr+ Sulfur monobromide cation sbr+  
601 SeCl Selenium monochloride secl  
602 IO Iodine monoxide io  
603 SeBr Selenium monobromide sebr  
604 F2- flourine diatomic anion f2-  
605 F2+ flourine diatomic cation f2+  
606 ClF- clorine monofluoride anion clf-  
607 ClF+ clorine monofluoride cation clf+  
608 Cl2- chlorine diatomic anion cl2-  
609 Cl2+ chlorine diatomic cation cl2+  
610 BrF- bromine fluoride anion brf-  
611 BrF+ bromine fluoride cation brf+  
612 BrCl- bromine chloride anion brcl-  
613 BrCl+ bromine chloride cation brcl+  
614 IF Iodine monofluoride if  
615 Br2- bromine diatomic anion br2-  
616 Br2+ bromine diatomic cation br2+  
617 ICl Iodine monochloride icl  
618 IBr Iodine monobromide ibr  
619 I2 Iodine diatomic i2  
620 I2+ Iodine diatomic cation i2+  
621 HCCl Chloromethylene hccl  
622 HSiF fluorosilylene hsif  
623 HSiCl Chlorosilylene hsicl  
624 HSiBr monobromosilylene hsibr  
625 CHBr bromomethylene chbr  
626 HOCl+ hypochlorous acid cation hocl+  
627 HOBr+ Hypobromous acid cation hobr+  
628 HOI Hypoiodous acid hoi  
629 F2H+ Fluorine, protonated f2h+  
630 FHF Hydrogen difluoride fhf  
631 FHF- Hydrogen difluoride anion fhf-  
632 ClFH+ Chlorine fluoride, F-protonated clfh+  
633 FClH+ Chlorine fluoride, Cl-protonated fclh+  
634 Cl2H+ Chlorine, protonated cl2h+  
635 CH2Br bromomethyl radical ch2br  
636 CH2F fluoromethyl radical ch2f  
637 CH2F+ fluoromethyl cation ch2f+  
638 CH2Cl+ chloromethyl cation ch2cl+  
639 CH2Cl chloromethyl radical ch2cl  
640 NH2F monofluoroamine nh2f  
641 NH2Cl chloramine nh2cl  
642 CH3F+ methyl fluoride cation ch3f+  
643 CD3F methylfluoride-d3 cd3f  
644 CD3Cl methyl chloride d3 cd3cl  
645 CH3Cl+ Methyl chloride cation ch3cl+  
646 GeH3F monofluorogermane geh3f  
647 GeH3Cl monochlorogermane geh3cl  
648 SiH3Br bromosilane sih3br  
649 CH3I methyl iodide ch3i  
650 SiH3I Silyl Iodide sih3i  
651 NH3Cl+ protonated monochloroammonia nh3cl+  
652 CH3ClH+ methyl chloride, protonated ch3clh+  
653 NH4Cl Ammonium chloride nh4cl  
654 LiNe+ Lithium Neon cation line+  
655 Ne2 Neon diatomic ne2  
656 Ne2+ Neon diatomic cation ne2+  
657 Ar2 Argon diatomic ar2  
658 Ar2+ Argon diatomic cation ar2+  
659 Li3 Lithium trimer li3  
660 Li3+ Lithium trimer cation li3+  
661 C3+ carbon trimer cation c3+  
662 SiC2 Silicon dicarbide sic2  
663 C3H3 cyclopropenyl radical cpr  
664 C3H3- Propargyl anion c3h3-  
665 C3H3+ cyclopropenyl cation cpr+  
666 C3H3+ Propargyl cation c3h3+  
667 C3H4 cyclopropene cprop  
668 C3H5+ Allyl cation allyl+  
669 CH3CHCH 1-propenyl radical ch3chch  
670 Zn(CH3)2 dimethyl zinc dmz  
671 C3H7+ cyclopropane, protonated c3h7+  
672 CH3CHCH3+ Isopropyl cation prop2yl+  
673 SiH2(CH3)2 dimethylsilane dms  
674 Si3H8 trisilane si3h8  
675 LiCN lithium cyanide licn  
676 NaCN Sodium Cyanide nacn  
677 KCN Potassium cyanide kcn  
678 CuCN Copper cyanide cucn  
679 ZnCN Zinc monocyanide zncn  
680 ZnNC Zinc isocyanide znnc  
681 AlCN Aluminum monocyanide alcn  
682 AlNC Aluminum isocyanide alnc  
683 CN2 3H-Diazirin-3-ylidene cn2  
684 CNN Diazocarbene cnn  
685 NCN Cyanoimidogen ncn  
686 N3 azide radical n3  
687 N3- azide anion n3-  
688 N3+ azide cation n3+  
689 HCCN cyanomethylene hccn  
690 HCNN diazomethyl radical hcnn  
691 HN3+ Hydrazoic acid cation hn3+  
692 HNCNH diiminomethane hncnh  
693 CH2N2 diazirine ch2n2  
694 CH2NN diazomethane ch2nn  
695 NH2CN cyanamide cyanamide  
696 HNNNH+ 1,2-Triazadienium n2h3+  
697 NH2NN+ hydrazoic acid, protonated nh2nn+  
698 CH3CN- acetonitrile anion ch3cn-  
699 CH3CN+ Acetonitrile cation ch3cn+  
700 CHNCH2 2H-Azirine c157164  
701 CHNHCH 1H-Azirine chnhch  
702 H2CCNH Ethenimine ch2cnh  
703 H2CNCH methyleneaminomethylene ch2nch  
704 HCCNH2 Ethynamine hccnh2  
705 HCNCH2+ 2H-Azirine cation hcnch2+  
706 HNCNH2+ diiminomethane, protonated hncnh2+  
707 NCNH3+ Cyanamide, protonated ncnh3+  
708 NH2CNH+ cyanamide, cn protonated nh2cnh+  
709 NH3CN+ cyanamide, amine protonated nh3cn+  
710 CH2CHNH vinylazine ch2chnh  
711 CH3CHN methylmethaniminyl radical ch3chn  
712 CH2CHNH2 aminoethene aminoethene  
713 CH2NCH3 N-methylmethanimine nmm  
714 CH3CHNH ethanimine ethanimine  
715 NH2BHNH2 diaminoborane nh2bhnh2  
716 C2H5NH+ Protonated Aziridine c2h5nh+  
717 C2H6N+ aziridine, protonated c2h6n+  
718 NH2CH2NH2 diaminomethane nh2ch2nh2  
719 CH3PHCH3 dimethylphosphine ch3phch3  
720 NH2CH2NH3+ diaminoethane, protonated pdam  
721 (CH3)2NH2+ dimethylammonium cation dmam  
722 CH3CH2NH3+ ethylamine, protonated pea  
723 Li2O+ dilithium oxide cation li2o+  
724 Li2S dilithium sulfide li2s  
725 Na2O disodium monoxide na2o  
726 Na2S Sodium sulfide na2s  
727 LiO2 Lithium dioxide lio2  
728 NaO2 Sodium superoxide nao2  
729 CCO Dicarbon monoxide cco  
730 CNO- fulminate cno-  
731 NCO isocyanato radical nco  
732 NCO- cyanate nco-  
733 SCN thiocyanato radical scn  
734 SCN- thiocyanide anion scn-  
735 BO2- Boron dioxide anion bo2-  
736 BO2+ Boron dioxide cation bo2+  
737 N2O- Nitrous oxide anion n2o-  
738 N2O+ Nitrous oxide cation n2o+  
739 NNS Nitrogen sulfide nns  
740 PPO Phosphorus oxide phosphide ppo  
741 CO2- Carbon dioxide anion co2-  
742 CO2+ Carbon dioxide cation co2+  
743 OCS+ Carbonyl sulfide cation cos+  
744 CS2- Carbon disulfide anion cs2-  
745 CS2+ Carbon disulfide cation cs2+  
746 TiO2 Titanium dioxide tio2  
747 SiS2 Silicon disulfide sis2  
748 GeO2 Germanium dioxide geo2  
749 SCSe Carbon sulfide selenide scse  
750 GeS2 Germanium disulfide ges2  
751 CSe2 Carbon diselenide cse2  
752 SCTe Carbon sulfide Telluride scte  
753 NO2- Nitrogen dioxide anion no2-  
754 NO2+ Nitrogen dioxide cation no2+  
755 NSO sulfinyl amidogen NSO  
756 PO2- Phosphorus dioxide anion po2-  
757 PO2+ Phosphorus dioxide cation po2+  
758 SNO Nitrogen oxide sulfide sno  
759 AsO2 Aresenic dioxide aso2  
760 O3- Ozone anion o3-  
761 O3+ Ozone cation o3+  
762 SO2- Sulfur dioxide anion so2-  
763 SO2+ Sulfur dioxide cation so2+  
764 S3 Sulfur trimer s3  
765 S3- Sulfur trimer anion s3-  
766 S3+ Sulfur trimer cation s3+  
767 SeO2+ Selenium dioxide cation seo2+  
768 TeO2 Tellurium Dioxide teo2  
769 HCCO ketenyl radical ketenyl  
770 CS2H+ Carbon disulfide, protonated cs2h+  
771 HNCS Isothiocyanic acid hncs  
772 HSCN thiocyanic acid hscn  
773 HCO2- formate anion hco2-  
774 HNNO nitrosoazane hnno  
775 HNNO+ Nitrous oxide, N-protonated hnno+  
776 NNOH+ Nitrous Oxide, O-protonated nnoh+  
777 HCOO formate neutral radical hcoo  
778 HOCO Hydrocarboxyl radical hoco  
779 HOCO+ Hydrocarboxyl cation hoco+  
780 HNO2+ nitrous acid cation hno2+  
781 O3H+ protonated ozone o3h+  
782 SO2H+ protonated sulfur dioxide so2h+  
783 C2H2O Oxirene oxirene  
784 CH2CO+ Ketene cation ch2co+  
785 CH2CS Thioketene ch2cs  
786 Be(OH)2 Beryllium hydroxide beo2h2  
787 Mg(OH)2 Magnesium dihydroxide h2mgo2  
788 NH2NO Nitrosamide nh2no  
789 CH2O2 Dioxirane diox  
790 H2COO Dioxymethyl radical h2coo  
791 H2COO+ dioxymethyl cation h2coo+  
792 H2O3 Hydrogen trioxide h2o3  
793 HSSSH trisulfane hsssh  
794 NaOCH3 Sodium methoxide naoch3  
795 CH2BOH hydroxy(methylene)borane ch2boh  
796 BH3CO Borane carbonyl bh3co  
797 CH3BO Borane, methyloxo- ch3bo  
798 CH2CHO Vinyloxy radical ch2cho  
799 CH2COH+ ketene, protonated ch2coh+  
800 CH3CO- Acetyl anion ch3co-  
801 CH3CO+ acetyl cation ch3co+  
802 CH2NOH formaldoxime ch2noh  
803 CH3NO nitrosomethane ch3no  
804 CNOH3 1,2-oxaziridine cnoh3  
805 HOCHNH hydroxymethylimine hochnh  
806 CHSNH2 thioformamide chsnh2  
807 NHCHSH Methanimidothioic acid nhchsh  
808 CH2OOH CH2OOH radical ch2ooh  
809 CH3OO- methylperoxy anion ch3oo-  
810 CH3OO+ methylperoxy cation ch3oo+  
811 C2H4O+ ethylene oxide cation c2h4o+  
812 CH3CHO+ acetaldehyde cation ch3cho+  
813 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
814 CH2CHSH Ethenethiol ch2chsh  
815 H2CONH2+ protonated formamide h2conh2+  
816 NH2CHOH+ Formamide, O-protonated nh2choh+  
817 NH3CHO+ Formamide, N-Protonated nh3cho+  
818 CH2(OH)2 methanediol ch2o2h2  
819 CH3SSH Hydrogen methyl disulfide ch3ssh  
820 HSCH2SH Methanedithiol ch4s2  
821 C2H4OH+ ethylene oxide, protonated c2h4oh+  
822 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
823 CH3CH2O Ethoxy radical ethoxy  
824 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
825 CH3CHOH+ acetaldehyde, protonated ch3choh+  
826 CH3OCH2 methoxymethyl radical ch3och2  
827 NH2CH2OH aminomethanol nh2ch2oh  
828 CH3SCH3+ dimethyl sulfide cation mesme+  
829 CH3SeCH3 dimethylselenide dmse  
830 CuF2 Copper difluoride cuf2  
831 ZnF2 Zinc difluoride znf2  
832 CNF iso cyanogen fluoride cnf  
833 ICN Cyanogen iodide icn  
834 FBO Boron monofluoride monoxide fbo  
835 BeF2 Beryllium fluoride bef2  
836 MgF2 Magnesium fluoride mgf2  
837 BeCl2 Beryllium chloride becl2  
838 CaCl2 Calcium Chloride cacl2  
839 ZnCl2 Zinc dichloride zncl2  
840 BeBr2 Beryllium bromide bebr2  
841 CaBr2 Calcium dibromide cabr2  
842 CaF2 Calcium difluoride caf2  
843 FCO Carbonyl fluoride fco  
844 FCO+ Carbonyl fluoride cation fco+  
845 ClCO carbonyl monochloride clco  
846 BF2 Boron difluoride radical bf2  
847 FNS Thionitrosyl fluoride fns  
848 FSN Thiazyl fluoride fsn  
849 OPCl Phosphorus oxychloride opcl  
850 BrNO Nitrosyl bromide brno  
851 INO Nitrosyl iodide ino  
852 CF2- Difluoromethylene anion cf2-  
853 CF2+ Difluoromethylene cation cf2+  
854 CFCl chlorofluoromethylene cfcl  
855 SiF2 Silicon difluoride sif2  
856 SiF2+ Silicon difluoride cation sif2+  
857 CCl2- dichloromethylene anion ccl2-  
858 CCl2+ dichloromethylene cation ccl2+  
859 GeF2 Germanium difluoride gef2  
860 GeCl2 Germanium dichloride gecl2  
861 CBr2 dibromomethylene cbr2  
862 FOO+ Fluorine dioxide cation foo+  
863 ClOO+ chloroperoxy cation cloo+  
864 OClO- Chlorine dioxide anion oclo-  
865 OClO+ Chlorine dioxide cation oclo+  
866 ClSO Sulfur chloride oxide clso  
867 BrOO Bromine dioxide broo  
868 OBrO Bromine dioxide radical obro  
869 NF2+ Difluoroamino cation nf2+  
870 PF2 Phosphorus difluoride pf2  
871 PF2+ Phosphorus difluoride cation pf2+  
872 FClO chlorosyl fluoride fclo  
873 ClOF Chlorine hypofluorite clof  
874 SF2- sulfur difluoride anion sf2-  
875 SF2+ sulfur difluoride cation sf2+  
876 SeF2 Selenium difluoride sef2  
877 BrOCl Bromine hypochlorite brocl  
878 SeCl2 Selenium Dichloride secl2  
879 SBr2 Sulfur dibromide sbr2  
880 SeBr2 Selenium dibromide sebr2  
881 BrOBr Bromine oxide brobr  
882 F3- trifluoride anion f3-  
883 Cl3- trichloride anion cl3-  
884 Br3- tribromide anion br3-  
885 I3- triiodide i3-  
886 SFCl Sulfur chloride fluoride sfcl  
887 HCCF Fluoroacetylene hccf  
888 HCCF+ fluoroacetylene cation hccf+  
889 HCCCl Chloroacetylene hcccl  
890 HCCBr bromoacetylene hccbr  
891 HFCO formyl fluoride hfco  
892 HFCO+ formyl fluoride cation hfco+  
893 COHCl Formyl chloride cohcl  
894 COHBr Formyl bromide cohbr  
895 CHCl2 dichloromethyl radical chcl2  
896 CHF2 difluoromethyl radical chf2  
897 CHF2+ difluoromethyl cation chf2+  
898 CHFCl Chlorofluoromethyl radical chfcl  
899 CHFCl+ Chlorofluoromethyl cation chfcl+  
900 CHCl2+ dichloromethyl cation chcl2+  
901 CHBr2 dibromomethyl radical chbr2  
902 HOClO Chlorous acid hoclo  
903 NHF2 difluoramine nhf2  
904 NHCl2 dichloroamine nhcl2  
905 SiH2F2 difluorosilane sih2f2  
906 CH2BrF Methane, bromofluoro- ch2fbr  
907 CH2BrCl Methane, bromochloro- ch2clbr  
908 CH2FI fluoroiodomethane ch2fi  
909 CH2ClI chloroiodomethane ch2cli  
910 CH2BrI bromoiodomethane ch2bri  
911 CH2I2 Diiodomethane ch2i2  
912 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
913 CH2CHF+ fluoroethene cation ch2chf+  
914 C2H3I Vinyl iodide c2h3i  
915 CH2FOH fluoromethanol ch2foh  
916 CH3OCl methyl hypochlorite ch3ocl  
917 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
918 CHClCH3 1-chloroethyl radical chclch3  
919 CH3SiFH2 fluoromethylsilane ch3sifh2  
920 C2H5I Ethyl iodide c2h5i  
921 KrF2 Krypton difluoride krf2  
922 XeF2 Xenon difluoride xef2  
923 B4H10 Tetraborane(10) b4h10  
924 C4+ Carbon tetramer cation c4+  
925 C4H2+ diacetlyene cation c4h2+  
926 C4H4 cyclobutadiene cbd  
927 C4H4 Tetrahedrane c4h4  
928 CHCCH2CH3 1-Butyne c107006  
929 CH3CHCHCH2 methylallyl radical c4h7  
930 C4H8 methylcyclopropane mcp  
931 CH2CHCH2CH3 1-Butene bute1  
932 B(CH3)3 trimethylborane bme3  
933 Al(CH3)3 trimethyl aluminum tma  
934 SiH(CH3)3 trimethylsilane trimsi  
935 Li3N trilithium nitride li3n  
936 C2N2+ Cyanogen cation c2n2+  
937 As4 Arsenic tetramer as4  
938 HCCCN+ Cyanoacetylene cation hcccn+  
939 H2CNCN cyanamide, methylene ch2ncn  
940 HNCCNH Ethenediimine hnccnh  
941 C3H3N+ acrylonitrile cation ch2chcn+  
942 CH3N3 methyl azide ch3n3  
943 NH2CCNH2 Diaminoacetylene daa  
944 NH2CH2CN Aminoacetonitrile aan  
945 CH3NHN2+ methyl azide, protonated ch3nhn2+  
946 C2H5CN ethyl cyanide c2h5cn  
947 CH5N3 Guanidine guanidine  
948 C4H6 Bicyclo[1.1.0]butane c157335  
949 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
950 H2NCHCHNH2 diaminoethylene dae  
951 CH6N3+ guanidinium ch6n3+  
952 CH7N3 triaminomethane tam  
953 C3H7N Azetidine azet  
954 CH3NHNHCH3 dimethyl hydrazine dmh  
955 P(CH3)3 trimethylphosphine tmp  
956 N(SiH3)3 trisilylamine tsa  
957 As(CH3)3 trimethyl arsine tmas  
958 (CH3)3NH+ protonated trimethyl amine ptma  
959 C3H7NH3+ n-propylamine, protonated c3h7nh2  
960 Li2O2 dilithium dioxide li2o2  
961 Na2O2 disodium dioxide na2o2  
962 K2O2 dipotassium dioxide k2o2  
963 C3O Tricarbon monoxide c3o  
964 ONNO NO dimer onno  
965 S2N2 Disulfur dinitride s2n2  
966 CO3 Carbon trioxide co3  
967 CO3-- carbonate co3--  
968 CS3-- Carbonotrithioate cs3--  
969 NO3- nitrate anion no3-  
970 NO3+ nitrogen trioxide cation no3+  
971 SO3- Sulfur trioxide anion so3-  
972 SO3-- Sulfate dianion so3--  
973 SO3+ Sulfur trioxide cation so3+  
974 SeO3 selenium trioxide seo3  
975 S4 Sulfur tetramer s4  
976 TeO3 Tellurium trioxide teo3  
977 HCO3- bicarbonate anion hco3-  
978 HSO3 Hydroxysulfonyl radical hso3  
979 NH2NO2 nitramide nh2no2  
980 C2H2CO cyclopropenone c2h2co  
981 C3H2O Propadienal c3h2o  
982 HCCCHO 2-propynal hcccho  
983 C2H2O2+ Ethanedial cation c2h2o2+  
984 H2CO3 Carbonic acid h2co3  
985 H2CS3 thiocarbonic acid h2cs3  
986 H2NO3+ Nitric Acid, Protonated h2no3+  
987 H2SO3 Sulfurous acid h2so3  
988 C2H3NO Nitrosoethylene c2h3no  
989 CH3NCO methylisocyante ch3nco  
990 HOCH2CN cyanomethanol hoch2cn  
991 CH3COO- acetate anion ch3coo-  
992 NH2COOH Carbamic acid nh2cooh  
993 H3BO3 Boric acid h3bo3  
994 H3AlO3 Aluminum hydroxide h3alo3  
995 H3CO3+ carbonic acid, protonated h3co3+  
996 NH2CONH2+ Urea cation urea+  
997 C2H4O2 1,3-dioxetane c2h4o2  
998 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
999 NH3COOH+ protonated Carbamic acid nh3cooh+  
1000 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1001 CH3COCH2 Acetonyl radical ch3coch2  
1002 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1003 CH3C(OH)=NH Ethaninidic acid eia  
1004 HCONHCH3 N-methylformamide nmfa  
1005 CH3CSNH2 Ethanethioamide ch3csnh2  
1006 CH5N2O+ urea, N-protonated ch4n2o+  
1007 H2NCOHNH2+ urea, protonated ureah+  
1008 C2H5OO ethylperoxy radical c2h5oo  
1009 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1010 C3H5OH Cyclopropanol cproh  
1011 C3H6O 2-Propen-1-ol c107186  
1012 C3H6O Acetone enol enol  
1013 C3H6O Oxetane oxetane  
1014 CH3COCH3- acetone anion ch3coch3-  
1015 CH3CSCH3 Thioacetone ch3csch3  
1016 CH3OOCH3 dimethylperoxide dmp  
1017 CH3COHCH3+ acetone, protonated acetoneh+  
1018 HOCH2CH2NH2 monoethanolamine mea  
1019 C3H7OH 1-Propanol proh  
1020 Li2F2 Lithium fluoride dimer li2f2  
1021 Na2F2 Sodium Fluoride Dimer na2f2  
1022 C2Cl2+ dichloroacetylene cation c2cl2+  
1023 FNO2 Nitryl fluoride fno2  
1024 FONO Nitrosyl hypofluorite fono  
1025 ClONO chlorine nitrite clono  
1026 BrONO Bromine nitrite brono  
1027 CF2O+ Carbonic difluoride cation f2co+  
1028 COFCl Carbonic chloride fluoride cofcl  
1029 Cl2CS Thiophosgene cl2cs  
1030 COBr2 Carbonic dibromide cobr2  
1031 BF3- Borane, trifluoro- anion bf3-  
1032 BF3+ boron trifluoride cation bf3+  
1033 BClF2 Chlorodifluoroborane bclf2  
1034 ScF3 Scandium trifluoride ScF3  
1035 BCl3+ Boron Trichloride cation bcl3+  
1036 GaF3 Gallium trifluoride gaf3  
1037 GaCl3 Gallium trichloride gacl3  
1038 BBr3 Boron tribromide bbr3  
1039 AlBr3 Aluminum Bromide albr3  
1040 ClO3 Chlorine trioxide clo3  
1041 ClO3- chlorate anion clo3-  
1042 BrO3- Bromate anion bro3-  
1043 CF3- Trifluoromethyl anion cf3-  
1044 CF3+ Trifluoromethyl cation cf3+  
1045 CF2Cl difluorochloromethyl radical cf2cl  
1046 SiF3 Silicon trifluoride radical sif3  
1047 SiF3+ Silicon trifluoride cation sif3+  
1048 CFCl2 dichlorofluoromethyl radical cfcl2  
1049 CCl3- Trichloromethyl anion ccl3-  
1050 CCl3+ Trichloromethyl cation ccl3+  
1051 SiCl3 trichlorosilyl radical sicl3  
1052 SiCl3+ trichlorosilyl cation sicl3+  
1053 CBr3 tribromomethyl radical cbr3  
1054 FOOF Perfluoroperoxide foof  
1055 ClO2F Chloryl fluoride clo2f  
1056 F2SO Thionyl Fluoride f2so  
1057 ClOOCl Dichlorine dioxide cloocl  
1058 FSSF Difluorodisulfane fssf  
1059 S2F2 Thio-thionyl fluoride s2f2  
1060 SSCl2 Thiothionyl chloride sscl2  
1061 SeOCl2 selenium oxychloride seocl2  
1062 NF3- Nitrogen trifluoride anion nf3-  
1063 NF3+ Nitrogen trifluoride cation nf3+  
1064 NCl3 nitrogen trichloride ncl3  
1065 AsF3 Arsenic trifluoride asf3  
1066 SbF3 Antimony Trifluoride sbf3  
1067 AsCl3 Arsenous trichloride ascl3  
1068 SbCl3 Antimony Trichloride sbcl3  
1069 NBr3 Nitrogen Tribromide nbr3  
1070 PBr3 Phosphorus tribromide pbr3  
1071 AsBr3 Arsenic tribromide asbr3  
1072 NI3 Nitrogen triiodide ni3  
1073 PI3 Phosphorus triiodide pi3  
1074 SF3 Sulfur trifluoride sf3  
1075 ClF3 Chlorine trifluoride clf3  
1076 IF3 iodone trifluoride if3  
1077 HClO3 Chloric Acid hclo3  
1078 SiHF3 trifluorosilane sihf3  
1079 CDCl3 trichloromethane-d cdcl3  
1080 CHBrF2 Methane, bromodifluoro- chbrf2  
1081 CHFClBr fluorochlorobromomethane chfclbr  
1082 CHBrCl2 Methane, bromodichloro- chbrcl2  
1083 CHF2I difluoroiodomethane chf2i  
1084 CHBr2F dibromofluoromethane chbr2f  
1085 CHFClI fluorochloroiodomethane chfcli  
1086 CHCl2I dichloroiodomethane chcl2i  
1087 CHClBr2 Methane, dibromochloro- chclbr2  
1088 CHI3 Iodoform chi3  
1089 NF3H+ protonated nitrogen trifluoride nf3h+  
1090 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1091 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1092 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1093 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1094 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1095 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1096 C2H2Br2 1,1-dibromoethene c2h2br2  
1097 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1098 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1099 CH2FCHO Fluoroacetaldehyde ch2fcho  
1100 CH2ClCHO chloroacetaldehyde ch2clcho  
1101 C2H4F2 1,2-difluoroethane c2h4f2  
1102 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1103 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1104 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1105 CH2CFCH3 2-fluoropropene 2fpro  
1106 CH2CHCH2F Allyl Fluoride allylf  
1107 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1108 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1109 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1110 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1111 CH2FCH2CH3 1-Fluoropropane prf1  
1112 CH3CHFCH3 2-Fluoropropane prf2  
1113 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1114 CH3CHClCH3 Propane, 2-chloro- prcl2  
1115 CH3CH2CH2Br n-propyl bromide prbr  
1116 CH3CHBrCH3 i-propyl bromide iprbr  
1117 C3H9O+ trimethyl oxonium cation c3h9o+  
1118 B5H9 pentaborane9 b5h9  
1119 C5H4 pentatetraene ptrene  
1120 C5H5 cyclopentadienyl radical c5h5  
1121 C5H5- cylopentadienyl anion c5h5-  
1122 C5H6 Propellane propellane  
1123 C5H7 1,3-pentadienyl radical pdyl  
1124 C5H7 cyclopentenyl radical cpyl  
1125 C5H8 1-pentyne a1pentyne  
1126 C5H8 Bicyclo[1.1.1]pentane bcp  
1127 C5H8 Ethenylcyclopropane c693867  
1128 CH3CCCH2CH3 2-Pentyne 2pentyne  
1129 CH2CHCH2CH2CH3 1-pentene pentene  
1130 Si(CH3)4 tetramethylsilane tms  
1131 CH2N4 1H-Tetrazole 1htz  
1132 C3H3N2 imidazolyl radical im  
1133 C3H3N2- imidizolyl anion im-  
1134 C2H3N3 1H-1,2,4-Triazole c288880  
1135 C4H4N pyrrolide radical c4h4n  
1136 C4H4N- pyrrolide anion c4h4n-  
1137 C3H4N2 2H-Imidazole imid2h  
1138 C3H4N2 4H-Imidazole imid4h  
1139 C4H5N 2H-pyrrole pyrrole2  
1140 C4H5N 3H-pyrrole pyrrole3  
1141 CH2CHCH2CN Allylcyanide ch2chch2cn  
1142 C4H6N+ pyrrole, alpha-protonated appyr  
1143 C4H6N+ pyrrole, beta-protonated bppyr  
1144 C4H6N+ pyrrole, protonated ppyr  
1145 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1146 CH3CH2CH2CN Butanenitrile c109740  
1147 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1148 NH(C2H5)2 diethylamine dea  
1149 NC4H12+ tetramethyl ammonium cation nc4h12+  
1150 C3O2+ Carbon suboxide cation c3o2+  
1151 B2O3 diboron trioxide b2o3  
1152 MgCO3 Magnesium Carbonate mgco3  
1153 BeCO3 Beryllium Carbonate beco3  
1154 CaCO3 Calcium Carbonate caco3  
1155 ONONO Nitrosyl nitrite onono  
1156 PO4--- phosphate po4---  
1157 SO4-- sulfate so4--  
1158 HOONO2 peroxy nitric acid hoono2  
1159 HSO4- bisulfate anion hso4-  
1160 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1161 C3H2O2 Propiolic acid c3h2o2  
1162 CHOCOOH oxo acetic acid oaa  
1163 CHOOCHO diformyl ether choocho  
1164 H2SeO4 Selenic acid h2seo4  
1165 C3H3NO Oxazole oxazole  
1166 C3H3NS Thiazole thiazole  
1167 CH3C(O)OO acetyl peroxy radical ch3coo2  
1168 H3PO4 Phosphoric Acid h3po4  
1169 C4H4O+ Furan cation furan+  
1170 CH3COCCH 3-butyn-2-one c1423605  
1171 C4H4Se selenophene c4h4se  
1172 C3H4O2 Methyl glyoxal megly  
1173 C3H4O2 propanedial propanedial  
1174 C3H4O2 propenalol propenalol  
1175 HOCHCCHOH allenediol aldiol  
1176 C2H4O3 1,2,3-trioxolane c2h4o3  
1177 C2H4O3 trioxolane124 triox  
1178 HOCH2COOH Hydroxyacetic acid hac  
1179 H2NCH2COOH Glycine glycine  
1180 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1181 C4H6O cis-2-butenal butenal2c  
1182 C4H6O Furan, 2,5-dihydro- furan25h  
1183 CH3CH2COOH Propanoic Acid propanoic  
1184 HCOOC2H5 Ethyl formate faee  
1185 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1186 C3H7NO dimethylformamide dmf  
1187 C4H8O Furan, tetrahydro- thf  
1188 C3H8O2 1,3-Propanediol c504632  
1189 C4H10O 1-Butanol butanol1  
1190 C4H10O 1-Propanol, 2-methyl- c78831  
1191 C4H10O Methyl propyl ether meopr  
1192 C4H10O+ 1-Butanol cation butanol1+  
1193 C4H9SH 1-Butanethiol bush  
1194 ClONO2 Chlorine nitrate clono2  
1195 BrONO2 Bromine nitrate brono2  
1196 TiCl4 Titanium tetrachloride ticl4  
1197 ClO4- perchlorate anion clo4-  
1198 BF4- tetrafluoroboron anion bf4-  
1199 SO2F2 Sulfuryl fluoride so2f2  
1200 TiF4 Titanium tetrafluoride tif4  
1201 CF3Br Bromotrifluoromethane cf3br  
1202 GeF4 Germanium tetrafluoride gef4  
1203 CCl4+ Carbon tetrachloride cation ccl4+  
1204 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1205 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1206 CF3I trifluoroiodomethane cf3i  
1207 CBrCl3 Methane, bromotrichloro- cbrcl3  
1208 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1209 GeCl4 Germanium Tetrachloride gecl4  
1210 CBr2ClF dibromochlorofluoromethane cbr2clf  
1211 CBr2Cl2 dibromodichloromethane cbr2cl2  
1212 CCl3I trichloroiodomethane ccl3i  
1213 CFBr3 fluorotribromomethane cfbr3  
1214 CFClBrI fluorochlorobromoiodomethane cfclbri  
1215 CBr3Cl tribromochloromethane cbr3cl  
1216 CF2I2 difluorodiiodomethane cf2i2  
1217 CBr4 Carbon tetrabromide cbr4  
1218 CCl2I2 dichlorodiiodomethane ccl2i2  
1219 SiBr4 Silicon tetrabromide sibr4  
1220 CBr3I tribromoiododmethane cbr3i  
1221 GeBr4 Germanium tetrabromide gebr4  
1222 CI4 tetraiodomethane ci4  
1223 SiI4 silicon tetraiodide sii4  
1224 ClOF3 Chlorine trifluoride oxide clof3  
1225 SF4 Sulfur tetrafluoride sf4  
1226 SeF4 Selenium tetrafluoride sef4  
1227 SCl4 Sulfur tetrachloride scl4  
1228 C2HF3 Trifluoroethylene c2hf3  
1229 C2HF3+ Trifluoroethylene cation c2hf3+  
1230 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1231 HClO4 perchloric acid hclo4  
1232 CF3OH trifluoromethanol cf3oh  
1233 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1234 CHClCCHCl 1,3-dichloroallene chclcchcl  
1235 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1236 CHCl2CHO dichloroacetaldehyde chcl2cho  
1237 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1238 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1239 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1240 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1241 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1242 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1243 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1244 NH3BCl3 Amminetrichloroboron nh3bcl3  
1245 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1246 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1247 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1248 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1249 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1250 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1251 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1252 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1253 C4H9F 1-fluorobutane butaf1  
1254 CH3CHFCH2CH3 2-fluorobutane butaf2  
1255 XeF4 Xenon tetrafluoride xef4  
1256 C2H2N2O Furazan furazan  
1257 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1258 NH3BF3 Amminetrifluoroboron nh3bf3  
1259 C6H2 hexatriyne c6h2  
1260 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1261 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1262 C6H4 Benzyne benzyne  
1263 C6H5 phenyl phenyl  
1264 C6H5- phenyl anion phenyl-  
1265 C6H6 Prismane prismane  
1266 C6H6 1,2,4,5-Hexatetraene ht1245  
1267 C6H6 2,4-Hexadiyne hexadiyne  
1268 C6H6 3,4-Dimethylenecyclobutene cb34m  
1269 C6H6 Benzene benzene  
1270 C6H6 Benzvalene bv  
1271 C6H6 Dewar Benzene dewar  
1272 C6H6 Hexa-1,5-diene-3-yne hdy153  
1273 C6H6 Trimethylenecycopropane tmcp  
1274 C6H6+ Benzene cation c6h6+  
1275 C6H7+ benzene, protonated c6h7+  
1276 C6H8 (E)-hexa-1,3,5-triene c821078  
1277 C6H8 (E)-hexa-2,3,4-triene c59660650  
1278 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1279 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1280 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1281 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1282 C6H8 3-Methylenecyclopentene c930267  
1283 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1284 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1285 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1286 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1287 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1288 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1289 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1290 C6H10 1,5-Hexadiene c592427  
1291 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1292 C6H10 1-Hexyne hexyne1  
1293 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1294 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1295 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1296 C6H10 2-Hexyne c764352  
1297 C6H10 3-Hexyne hexyne3  
1298 C6H10 cyclohexene cyclohexene  
1299 C6H10 Cyclopentene, 1-methyl- c693890  
1300 C6H10 Cyclopentene, 3-methyl- c1120623  
1301 C6H10 Cyclopentene, 4-methyl- c1759815  
1302 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1303 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1304 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1305 C6H12 (E)-2-Hexene e2hexene  
1306 C6H12 (E)-3-methylpent-2-ene c616126  
1307 C6H12 (E)-hex-3-ene e3hexene  
1308 C6H12 (Z)-3-methylpent-2-ene c922623  
1309 C6H12 (Z)-hex-2-ene z2hexene  
1310 C6H12 (Z)-hex-3-ene z3hexene  
1311 C6H12 2,3-dimethylbut-1-ene c563780  
1312 C6H12 2,3-dimethyl-but-2-ene tmeet  
1313 C6H12 3-methylenepentane c760214  
1314 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1315 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1316 C6H12 Cyclohexane cyclohexane  
1317 C6H12 Cyclopentane, methyl- c96377  
1318 C6H12 Ethylcyclobutane c4806615  
1319 C6H12 hex-1-ene hexene1  
1320 C6H14 Butane, 2,2-dimethyl- buta22  
1321 C6H14 Butane, 2,3-dimethyl- buta23  
1322 C6H14 Hexane hexane  
1323 C6H14 Pentane, 2-methyl- penta2  
1324 C6H14 Pentane, 3-methyl- penta3  
1325 C4N2 2-Butynedinitrile c4n2  
1326 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1327 C4H2N2 Fumaronitrile c4h2n2  
1328 C2H2N4 sym-tetrazine ttz  
1329 C3H3N3 1,3,5-Triazine triazine135  
1330 CH3N5 5-Aminotetrazole c4418615  
1331 C4H4N2 1,3-Diazine diazine13  
1332 C4H4N2 Pyrazine pyrazine  
1333 C4H4N2 Pyridazine pyridazine  
1334 C4H4N2 Succinonitrile c110612  
1335 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1336 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1337 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1338 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1339 C5H5N E-2,4-pentadienenitrile bdcn  
1340 C5H5N Pyridine pyridine  
1341 B3N3H6 borazine borazine  
1342 C6H6 Fulvene fulvene  
1343 C5H6N+ Pyridinium c5h6n  
1344 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1345 C5H7N (E)-2-Pentenenitrile c26294984  
1346 C5H7N (E)-3-Pentenenitrile c16529661  
1347 C5H7N (Z)-2-Pentenenitrile c25899507  
1348 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1349 C5H7N Cyclobutanecarbonitrile c4426113  
1350 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1351 C5H9N Butanenitrile, 2-methyl- c18936179  
1352 C5H9N Pentanenitrile c110598  
1353 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1354 C6H10 Bicyclo[3.1.0]hexane c285585  
1355 C5H11N Cyclopentanamine cypentam  
1356 C5H11N Piperidine piper  
1357 C4H12N2 1,2-Butanediamine c4426486  
1358 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1359 Li2CO3 Lithium Carbonate li2co3  
1360 Na2CO3 Sodium Carbonate na2co3  
1361 C2O4-- oxalate anion c2o4  
1362 MgSO4 Magnesium Sulfate mgso4  
1363 N2O4 Dinitrogen tetroxide n2o4  
1364 C3H2O3 vinylene carbonate vica  
1365 C2H2O4 Oxalic Acid oxalic  
1366 C2H3NO3 Oxamic acid oxamic  
1367 C4H4O2 2(5H)-Furanone furanone  
1368 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1369 C2H4N2O2 Oxalamide oxalamide  
1370 C2H4N2S2 Ethanedithioamide c79403  
1371 C2H4CO3 Ethylene carbonate etco3  
1372 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1373 C3H4S3 1,3-Dithiolane-2-thione c822388  
1374 C2H4O4 Formic acid dimer fadimer  
1375 C4H5NO 3-Methylisoxazole isox3m  
1376 C4H5NO Isoxazole, 5-methyl- c5765446  
1377 C4H5NS 4-Methylthiazole c693958  
1378 C2H5NO3 Nitric acid, ethyl ester c625581  
1379 C5H6O 2H-Pyran pyran2  
1380 C5H6O 2-methylfuran furan2m  
1381 C5H6O 3-Methylfuran furan3m  
1382 C5H6O Pentadienal pdal  
1383 C5H6S Thiophene, 2-methyl- c554143  
1384 C5H6S Thiophene, 3-methyl- c616444  
1385 C4H6O2 γ–Butyrolactone c96480  
1386 C4H6O2 2,3-Butanedione c431038  
1387 C4H6O2 2-Propenoic acid, methyl ester c96333  
1388 C4H6O2 Crotonic Acid crot  
1389 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1390 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1391 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1392 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1393 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1394 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1395 C4H6OS Vinyl sulfoxide c1115157  
1396 CH6N4S Carbonothioic dihydrazide thiacarb  
1397 C2H6N2O2 (E)-Azodioxymethane c37765154  
1398 C2H6N2O2 Dimethylnitroamine c4164287  
1399 C3H6O3 1,3,5-Trioxane trioxane  
1400 C3H6S3 1,3,5-Trithiane c3h6s3  
1401 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1402 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1403 C4H7NO 2-Pyrrolidinone c616455  
1404 C4H7NO Ethoxyacetonitrile etoaccn  
1405 C4H7NO Methacrylamide c79390  
1406 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1407 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1408 C3H7ONO Propyl nitrite prono  
1409 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1410 CH3CH(NH2)COOH Alanine alanine  
1411 CH3NHCH2COOH Sarcosine sarcosine  
1412 NH2CH2CH2COOH β–alanine betaalanine  
1413 NH2COOC2H5 Urethane urethane  
1414 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1415 C5H8O Cyclopentanone c120923  
1416 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1417 C5H8O Methyl cyclopropyl ketone c765435  
1418 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1419 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1420 NH2CONHC2H5 Urea, ethyl- c625525  
1421 C4H8O2 1,3-Dioxane dioxan13  
1422 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1423 C4H8O2 1,4-Dioxane dioxan14  
1424 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1425 C4H8O2 Ethyl acetate c141786  
1426 C4H8OS s-Ethyl thioacetate c625605  
1427 C3H8O3 1,2,3-Propanetriol glycerin  
1428 C3H8O2S (Methylsulfonyl)ethane c594434  
1429 C4H9NO Butanamide c541355  
1430 C4H9NO Propanamide, 2-methyl- c563837  
1431 C5H10O 2-Butanone, 3-methyl- c563804  
1432 C5H10O 2H-Pyran, tetrahydro- c142687  
1433 C5H10O 2-methylbutyraldehyde 2meba  
1434 C5H10O 2-Pentanone mpk  
1435 C5H10O 3-Pentanone dek  
1436 C5H10O Cyclopentanol c96413  
1437 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1438 C5H10O Pentanal pal  
1439 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1440 C5H10S 3-Ethylthio-1-propene c5296628  
1441 C5H10S Cyclopentanethiol c1679078  
1442 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1443 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1444 C4H10O2 1,1-Dimethoxyethane c534156  
1445 C4H10O2 1,3-Butanediol budiol13  
1446 C4H10O2 1,4-Butanediol budiol14  
1447 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1448 C4H10OS Diethyl sulfoxide c70291  
1449 C4H10S2 1,4-Butanedithiol budisl14  
1450 C4H11NO Diethylhydroxylamine c3710847  
1451 C5H12O 1-Butanol, 2-methyl- c137326  
1452 C5H12O 1-Butanol, 3-methyl- c123513  
1453 C5H12O 1-Pentanol pentanol1  
1454 C5H12O 2-Butanol, 3-methyl- c598754  
1455 C5H12O 2-Pentanol peol2  
1456 C5H12O 3-Pentanol pentan3ol  
1457 C5H12O Butane, 1-methoxy- meobu  
1458 C5H12O Propane, 1-ethoxy- proet  
1459 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1460 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1461 C5H12S 1-Butanethiol, 3-methyl- c541311  
1462 C5H12S 1-Pentanethiol c110667  
1463 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1464 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1465 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1466 C5H12S Butane, 1-(methylthio)- c628295  
1467 C5H12S Ethyl propyl sulfide c4110503  
1468 C5H12S Propane, 2-(ethylthio)- c5145993  
1469 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1470 C4F2 difluorobutadiyne c4f2  
1471 ClCOClCO Oxalyl chloride oxcl  
1472 CF3CN Acetonitrile, trifluoro- cf3cn  
1473 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1474 B2F4 Diboron tetrafluoride b2f4  
1475 B2Cl4 Diboron tetrachloride b2cl4  
1476 C2F4 Tetrafluoroethylene c2f4  
1477 C2F4+ Tetrafluoroethylene cation c2f4+  
1478 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1479 CF2CCl2 difluorodichloroethylene cf2ccl2  
1480 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1481 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1482 C2FCl3 fluorotrichloroethene c2fcl3  
1483 C2Cl4 Tetrachloroethylene c2cl4  
1484 C2Br4 tetrabromoethene c2br4  
1485 CF3OF Trifluoromethylhypofluorite cf3of  
1486 SiF5- silicon pentafluoride anion sif5-  
1487 SOF4 Sulfur tetrafluoride oxide sof4  
1488 PF5 Phosphorus pentafluoride pf5  
1489 AsF5 Arsenic pentafluoride asf5  
1490 PCl5 Phosphorus pentachloride pcl5  
1491 SF5 Sulfur pentafluoride sf5  
1492 SF5+ pentafluoro sulfur cation sf5+  
1493 SbCl5 Antimony pentachloride sbcl5  
1494 BrF5 bromine pentafluoride brf5  
1495 ClF5 chlorinepentafluoride clf5  
1496 IF5 pentafluoroiodine if5  
1497 CF3CHO trifluoroacetaldehyde cf3cho  
1498 CCl3CHO trichloroacetaldehyde ccl3cho  
1499 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1500 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1501 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1502 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1503 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1504 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1505 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1506 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1507 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1508 CF3COOH trifluoroacetic acid cf3cooh  
1509 C4H3ClO Furan, 2-chloro fur2cl  
1510 C4H3ClO Furan,3-chloro fur3cl  
1511 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1512 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1513 C4H8Cl2 1,4-Dichlorobutane c110565  
1514 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1515 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1516 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1517 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1518 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1519 C5H11Cl Pentane, 1-chloro- pencl1  
1520 C4H8O2 Butanoic acid bua  
1521 C6H5CH2 benzyl radical benzyl  
1522 C7H7 cycloheptatrienyl radical c7h7  
1523 C7H7+ cycloheptatrienyl cation c7h7+  
1524 C6H5CH3 toluene toluene  
1525 C7H8 cycloheptatriene cht  
1526 C7H8 Norbornadiene norbor  
1527 C7H8 Quadricyclane qucy  
1528 C7H12 Norbornane nor  
1529 C7H14 cycloheptane c7h14  
1530 C7H16 2-methylhexane 2mhex  
1531 C7H16 3-methylhexane hex3m  
1532 C7H16 heptane heptane  
1533 CH(CN)3 tricyanomethane mecn3  
1534 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1535 C6H7N 2-Methylpyridine mp  
1536 C6H5NH2 aniline aniline  
1537 C6H13N 2-Methylpiperidine pip2m  
1538 C6H13N cyclohexanamine cham  
1539 C6H15N triethylamine tea  
1540 N2O5 Dinitrogen pentoxide n2o5  
1541 C4H2O3 Maleic Anhydride malan  
1542 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1543 C5H4O2 furfural furfural  
1544 C6H5O phenoxy radical phenoxy  
1545 C5H5NO 2(1H)-Pyridinone c72762006  
1546 C5H5NO 2(3H)-Pyridinone c9000048  
1547 C5H5NO 2(5H)-Pyridinone c9000037  
1548 C5H5NO 2-Pyridinol c109104  
1549 C5H5NO 3(2H)-Pyridinone c9000004  
1550 C5H5NO 3(4H)-Pyridinone c9000026  
1551 C5H5NO 3(6H)-Pyridinone c9000015  
1552 C5H5NO 3-Pyridinol c109002  
1553 C5H5NO 4(1H)-Pryidinone c9000060  
1554 C5H5NO 4(3H)-Pryidinone c9000059  
1555 C5H5NO 4-Pyridinol c626642  
1556 C6H5OH phenol phenol  
1557 C6H6O 2,4-Cyclohexadienone c24599573  
1558 C6H6O 2,5-Cyclohexadienone c5664335  
1559 C6H5SH Benzenethiol phsh  
1560 HO2CCHNH2CH2OH Serine serine  
1561 C5H8O2 Acetylacetone acac  
1562 C4H8O2S Sulfolane sulfolane  
1563 C7H10 Norbornene norbornene  
1564 CH(C2H3)3 trivinyl methane tvm  
1565 C6H10O cyclohexanone chexo  
1566 C6H12O hexanal c6h12o  
1567 C6H12O Oxepane oxepane  
1568 C3H7OC3H7 di-n-propyl ether propr  
1569 F2CCCF2 tetrafluoroallene pfa  
1570 CF3COO- trifluoro acetate anion cf3coo-  
1571 CF3COF trifluoroacetyl fluoride cf3cof  
1572 CF3COCl trifluoroacetyl chloride cf3cocl  
1573 PF6 Hexafluorophosphate neutral pf6  
1574 PF6- Hexafluorophosphate ion pf6-  
1575 SF6 Sulfur Hexafluoride sf6  
1576 SeF6 Selenium hexafluoride sef6  
1577 SF5Cl sulfur chloropentafluoride sf5cl  
1578 CF3CHF2 pentafluoroethane cf3chf2  
1579 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1580 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1581 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1582 CCl3CHCl2 pentachloroethane ccl3chcl2  
1583 C6H5F Fluorobenzene bzf  
1584 C6H5Cl chlorobenzene bzcl  
1585 C6H5Br bromobenzene bzbr  
1586 C8H6 Calicene calicene  
1587 C6H5CCH phenylacetylene phac  
1588 C8H6 benzocyclobutadiene bcbd  
1589 C8H6 Pentalene pentalene  
1590 C6H5CHCH2 Styrene styrene  
1591 C8H8 cubane cubane  
1592 C8H8 cyclooctatetraene cot  
1593 C6H5CH2CH3 Ethylbenzene etbz  
1594 CH3C6H4CH3 meta-xylene mxylene  
1595 CH3C6H4CH3 paraxylene pxylene  
1596 C8H14 Bicyclo[2.2.2]octane bico222  
1597 C8H16 cyclooctane cyclooct  
1598 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1599 C8H18 Octane c8h18  
1600 C6H5CN phenyl cyanide phcn  
1601 C6H12N2 Triethylenediamine ted  
1602 C4O4-- squarate dianion c4o4--  
1603 S4N4 Tetrasulfur tetranitride s4n4  
1604 S8 Octasulfur s8  
1605 C6H4O2 parabenzoquinone pbq  
1606 C4H4N2O2 Uracil uracil  
1607 C6H5CHO benzaldehyde benzal  
1608 C6H5OCH3 Anisole anisole  
1609 C5H9NO2 Proline proline  
1610 C6H12O2 Methyl pivalate c598981  
1611 C6H12O2 Hexanoic acid hexa  
1612 C4F4 tetrafluorcyclobutadiene c4f4  
1613 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1614 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1615 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1616 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1617 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1618 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1619 C2Cl6 hexachloroethane c2cl6  
1620 IF7 Iodine heptafluoride if7  
1621 C6H4F2 metadifluorobenzene mdfb  
1622 C6H4F2 orthodifluorobenzene odfb  
1623 C6H4F2 1,4-difluorobenzene pdfb  
1624 C6H4Cl2 1,2-dichlorobenzene dcb12  
1625 C6H4Cl2 1,3-dichlorobenzene dcb13  
1626 C6H4Cl2 1,4-dichlorobenzene dcb14  
1627 C6H5NO nitrosobenzene bzno  
1628 C9H8 Indene indene  
1629 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1630 C9H12 n-propyl benzene prbz  
1631 C9H20 Nonane nonane  
1632 C(CN)4 tetracyanomethane c5n4  
1633 C5H4N4 purine purine  
1634 C8H7N Indole indole  
1635 C3H3N3O3 cyanuric acid cyanuric  
1636 C6H5NO2 Nitrobenzene c6h5no2  
1637 C6H5COOH benzoic acid benzo  
1638 CH3COC6H5 acetophenone acph  
1639 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1640 C3F6 hexafluoropropene c3f6  
1641 C6H3F3 Benzene trifluoride 123 bzf3a  
1642 C8H18O 1-Octanol octanol  
1643 C10H8 Azulene azu  
1644 C10H8 naphthalene naph  
1645 C10H10 bullvalene bullv  
1646 C10H16 adamantane adamantane  
1647 C6N4 Tetracyanoethylene tcne  
1648 C6N4- tetracyanoethylene anion tcne-  
1649 C10H22 Decane decane  
1650 C4F6 perfluorobutadiene c4f6  
1651 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1652 C3F8 perfluoropropane c3f8  
1653 Fe(CO)5 Iron pentacarbonyl ipc  
1654 Fe(C5H5)2 ferrocene fecp2  
1655 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1656 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1657 C12H8 Acenaphthylene acenaph  
1658 C12H8 biphenylene biph  
1659 C12H10 biphenyl biphenyl  
1660 C12H10 Heptalene heptalene  
1661 C6H12O6 Inositol inositol  
1662 C6F6 hexafluorobenzene c6f6  
1663 S2F10 disulphur decafluoride s2f10  
1664 C13H10 Fluorene fluorene  
1665 C14H10 Anthracene anth  
1666 C14H10 Phenanthrene phenanthrene  
1667 C14H14 Bibenzyl bibenzyl  
1668 C12H10N2 azobenzene azobenzene  
1669 C6H5COC6H5 benzophenone benzophenone  
1670 C16H10 Pyrene pyrene  
1671 C18H12 Tetracene tetracene  
1672 C19H16 Triphenylmethane tpm  
1673 C24H12 Coronene coronene  
1674 C60 Buckminsterfullerene c60