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List of which calculations are completed at CCSD(T)//B3LYP/6-31G(2df,p) /cc-pVTZ

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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 H2+ Hydrogen cation 2Σg+D∞h
8 HD Deuterium hydride 1ΣgD∞h
9 H3+ hydrogen trimer cation 1A1'D3h
10 He Helium atom 1SKh
11 Li Lithium atom 2SKh
12 Na Sodium atom 2SKh
13 Na+ Sodium atom cation 1SKh
14 LiH Lithium Hydride 1ΣC∞v
15 LiH+ lithium hydride cation 2ΣC∞v
16 NaH sodium hydride 1ΣC∞v
17 Be Beryllium atom 1SKh
18 Mg Magnesium atom 1SKh
19 BeH beryllium monohydride 2ΣC∞v
20 BeH- berylium monohydride anion 1ΣC∞v
21 BeH+ beryllium monohydride cation 1ΣC∞v
22 MgH magnesium monohydride 2ΣC∞v
23 BeH2 beryllium dihydride 1ΣgD∞h
24 MgH2 magnesium dihydride 1ΣgD∞h
25 B Boron atom 2PKh
26 Al Aluminum atom 2PKh
27 BH Boron monohydride 1ΣC∞v
28 BH- boron monohydride anion 2ΠC∞v
29 AlH aluminum monohydride 1ΣC∞v
30 BH2 boron dihydride 2A1C2v
31 AlH2 aluminum dihydride 2A1C2v
32 BH3 boron trihydride 1A1'D3h
33 AlH3 aluminum trihydride 1A1'D3h
34 BH4- borohydride anion 1A1Td
35 AlH4- Aluminum tetrahydride anion 1A1Td
36 C Carbon atom 3P0Kh
37 Si Silicon atom 3PKh
38 CH Methylidyne 2Π1/2C∞v
39 CH- methylidyne anion 3ΣC∞v
40 CH+ Methylidyne cation 1ΣC∞v
41 SiH Silylidyne 2ΠC∞v
42 CH2 Methylene 3B1C2v
43 SiH2 silicon dihydride 1A1C2v
44 CH3 Methyl radical 2A1D3h
45 CH3- methyl anion 1A1C3v
46 SiH3 Silyl radical 2A1C3v
47 CH4 Methane 1A1Td
48 SiH4 Silane 1A1Td
49 P Phosphorus atom 4SKh
50 NH Imidogen 3Σ-C∞v
51 NH- Imidogen anion 2ΠC∞v
52 NH+ imidogen cation 2ΠC∞v
53 PH phosphorus monohydride 3Σ-C∞v
54 ND2 Amidogen-d2 2B1C2v
55 NH2 Amino radical 2B1C2v
56 PH2 Phosphino radical 2B1C2v
57 ND3 Ammonia-d3 1A1C3v
58 NH3 Ammonia 1A1C3v
59 NH3+ ammonia cation 2A2"D3h
60 PH3 Phosphine 1A1C3v
61 NH4+ ammonium cation 1A1Td
62 O Oxygen atom 3SKh
63 S Sulfur atom 3PKh
64 Se Selenium atom 3PKh
65 DO Hydroxyl-d 2ΠC∞v
66 OH Hydroxyl radical 2ΠC∞v
67 OH- hydroxide anion 1ΣC∞v
68 OH+ hydoxyl cation 3ΣC∞v
69 DS Mercapto-d 2ΠC∞v
70 HS Mercapto radical 2ΠC∞v
71 HS- mercapto anion 1ΣC∞v
72 D2O Deuterium oxide 1A1C2v
73 H2O Water 1A1C2v
74 HDO Water-d1 1A1C2v
75 D2S Hydrogen sulfide-d2 1A1C2v
76 H2S Hydrogen sulfide 1A1C2v
77 H2Se Hydrogen selenide 1A1C2v
78 H3O+ hydronium cation 1A1C3v
79 F Fluorine atom 2PKh
80 Cl Chlorine atom 2PKh
81 Br Bromine atom 2PKh
82 DF Hydrofluoric acid-d 1ΣC∞v
83 HF Hydrogen fluoride 1ΣC∞v
84 HF- hydrogen fluoride anion 2ΣC∞v
85 HF+ hydrogen fluoride cation 2ΠC∞v
86 DCl Hydrochloric acid-d 1ΣC∞v
87 HCl Hydrogen chloride 1ΣC∞v
88 HBr hydrogen bromide 1ΣC∞v
89 H2F+ dihydrogen fluoride cation 1A1C2v
90 Ne Neon atom 1SKh
91 Ar Argon atom 1SKh
92 NeH+ neon hydrogen cation 1ΣC∞v
93 Li2 Lithium diatomic 1ΣgD∞v
94 Li2+ lithium diatomic cation 2ΣgD∞h
95 NaLi lithium sodium 1ΣC∞v
96 Na2 Sodium diatomic 1ΣgD∞h
97 Be2+ Beryllium diatomic cation 2ΣuD∞h
98 Mg2 Magnesium diatomic 1ΣgD∞h
99 Al2 Aluminum diatomic 3ΣgD∞h
100 B2H6 Diborane 1AgD2h
101 C2 Carbon diatomic 1Σg+D∞h
102 C2- carbon diatomic anion 2ΣgD∞h
103 C2+ carbon diatomic cation 2ΠD∞h
104 C2H Ethynyl radical 2ΣC∞v
105 C2H2 Acetylene 1ΣgD∞h
106 C2H2+ acetylene cation 2ΠuD∞h
107 CCH2 vinylidene 1A1C2v
108 C2H3 vinyl 2A'Cs
109 C2H4 Ethylene 1AgD2h
110 C2H5 Ethyl radical 2A'Cs
111 C2H6 Ethane 1A1gD3d
112 CH3SiH3 methyl silane 1A1C3
113 Si2H6 disilane 1EuD3d
114 BN- boron nitride anion 2ΣC∞v
115 BN boron nitride 3ΠC∞v
116 AlN Aluminum nitride 3ΠiC∞v
117 CN Cyano radical 2ΣC∞v
118 CN- cyanide anion 1ΣC∞v
119 CN+ Cyano cation 1ΣC∞v
120 CP Carbon monophosphide 2ΣC∞v
121 SiN Silicon nitride 2ΣC∞v
122 N2 Nitrogen diatomic 1ΣgD∞h
123 N2- nitrogen diatomic anion 2ΠgD∞h
124 N2+ diatomic nitrogen cation 2ΣgD∞h
125 PN Phosphorus mononitride 1ΣC∞v
126 P2 Phosphorus diatomic 1ΣgD∞h
127 HNC hydrogen isocyanide 1ΣC∞v
128 HCN Hydrogen cyanide 1ΣC∞v
129 HCP Phosphaethyne 1ΣC∞v
130 NNH Dinitrogen monohydride 2A'Cs
131 HPO Hydrogen phosphorus oxide 1A'Cs
132 N2H2 (E)-diazene 1AgC2h
133 CH2NH Methanimine 1A'Cs
134 CH2NH2+ methyleneamine cation 1A1C2v
135 N2H4 Hydrazine 1AC2
136 P2H4 Diphosphine 1AC2
137 CH3NH2 methyl amine 1A'Cs
138 CH3PH2 Methyl phosphine 1A'Cs
139 LiO lithium oxide 2ΣC∞v
140 NaO sodium monoxide 2ΣC∞v
141 BeO beryllium oxide 1ΣC∞v
142 BeS beryllium sulfide 1ΣC∞v
143 MgO magnesium oxide 1Σ+C∞v
144 MgS magnesium sulfide 1ΣC∞v
145 BO boron monoxide 2ΣC∞v
146 AlO Aluminum monoxide 2ΣC∞v
147 BS boron sulfide 2ΣC∞v
148 AlS Aluminum sulfide 2ΣC∞v
149 BO+ boron monoxide cation 1ΣC∞v
150 CO Carbon monoxide 1ΣC∞v
151 CO- carbon monoxide anion 2ΠC∞v
152 CS carbon monosulfide 1ΣC∞v
153 SiO Silicon monoxide 1ΣC∞v
154 SiS silicon monosulfide 1ΣC∞v
155 CSe Carbon monoselenide 1ΣC∞v
156 NO Nitric oxide 2ΠC∞v
157 NO- nitric oxide anion 3ΣC∞v
158 NO+ nitric oxide cation 1ΣC∞v
159 NS Mononitrogen monosulfide 2ΠC∞v
160 PO Phosphorus monoxide 2ΠC∞v
161 PS phosphorus sulfide 2ΣC∞v
162 O2 Oxygen diatomic 3ΣgD∞h
163 O2- oxygen diatomic anion 2ΠD∞h
164 O2+ diatomic oxygen cation 2ΠgD∞h
165 SO Sulfur monoxide 3ΣC∞v
166 S2 Sulfur diatomic 3ΣgD∞h
167 SeO Selenium monoxide 3ΣC∞v
168 SeS Selenium monosulfide 3ΣC∞v
169 Se2 Selenium diatomic 3ΣgD∞h
170 LiOH lithium hydroxide 1ΣC∞v
171 NaOH sodium hydroxide 1ΣC∞v
172 BeOH beryllium monohydroxide 2A'Cs
173 MgOH magnesium hydroxide 2A'Cs
174 HBO Boron hydride oxide 1ΣC∞v
175 HBS hydrogen boron sulfide 1ΣC∞v
176 HCO Formyl radical 2A'Cs
177 HCS Thioformyl radical 2A'Cs
178 HNO Nitrosyl hydride 1A'Cs
179 HO2 Hydroperoxy radical 2A"Cs
180 H2CO Formaldehyde 1A1C2v
181 H2CS Thioformaldehyde 1A1C2v
182 H2O2 Hydrogen peroxide 1AC2
183 H2S2 Disulfane 1AC2
184 CH2OH Hydroxymethyl radical 2AC1
185 CH2OH+ hydroxymethyl cation 1A'Cs
186 CH3O Methoxy radical 2A'C1
187 CH3S thiomethoxy 2A'C3v
188 NH2OH hydroxylamine 1A'Cs
189 CH3OH Methyl alcohol 1A'Cs
190 CH3SH Methanethiol 1A'Cs
191 CH3SeH Methane selenol 1A'Cs
192 LiF lithium fluoride 1ΣC∞v
193 LiCl lithium chloride 1ΣC∞v
194 NaF sodium fluoride 1ΣC∞v
195 NaCl Sodium Chloride 1ΣC∞v
196 LiBr Lithium Bromide 1ΣC∞v
197 NaBr Sodium Bromide 1ΣC∞v
198 BeF Beryllium monofluoride 2ΣC∞v
199 BeCl beryllium monochloride 2ΣC∞v
200 MgF Magnesium monofluoride 2ΣC∞v
201 MgCl magnesium monochloride 2ΣC∞v
202 BF Boron monofluoride 1ΣC∞v
203 AlF Aluminum monofluoride 1Σ+C∞v
204 BCl boron monochloride 1ΣC∞v
205 CF Fluoromethylidyne 2ΠC∞v
206 CF+ carbon monofluoride cation 1ΣC∞v
207 CCl carbon monochloride 2ΠC∞v
208 SiF silicon monofluoride 2ΠC∞v
209 SiCl Clorosilylidyne 2ΠC∞v
210 NF nitrogen fluoride 3ΣC∞v
211 PF phosphorus monofluoride 3ΣC∞v
212 PCl phosphorus chloride 3ΣC∞v
213 FO Oxygen monofluoride 2ΠC∞v
214 FO- flourine oxide anion 1ΣC∞v
215 FO+ fluorine monoxide cation 3ΣC∞v
216 ClO Monochlorine monoxide 2ΠC∞v
217 SF Monosulfur monofluoride 2ΠC∞v
218 SCl sulfur monochloride 2ΠC∞v
219 BrCl Bromine monochloride 1ΣC∞v
220 F2 Fluorine diatomic 1ΣgD∞h
221 F2- flourine diatomic anion 2ΣuD∞h
222 F2+ flourine diatomic cation 2ΠgD∞h
223 ClF Chlorine monofluoride 1Σ+C∞v
224 Cl2 Chlorine diatomic 1ΣgD∞h
225 BrF Bromine monofluoride 1ΣC∞v
226 Br2 Bromine diatomic 1ΣgD∞h
227 HCF Fluoromethylene 1A'Cs
228 HOF Hypofluorous acid 1A'Cs
229 DOCl Hypochlorous acid-d 1A'Cs
230 HOCl hypochlorous acid 1A'Cs
231 HOBr Hypobromous acid 1A'Cs
232 H2F2 Hydrogen fluoride dimer 1AgCs
233 CH3F Methyl fluoride 1A1C3v
234 CH3Cl Methyl chloride 1A1C3v
235 SiH3F monofluorosilane 1A1C3v
236 SiH3Cl chlorosilane 1A1C1
237 CH3Br methyl bromide 1A1C3v
238 C3 carbon trimer 1ΣgD∞h
239 C3H3 Propargyl radical 2B1Cs
240 CH2CCH2 allene 1A1D2d
241 CH3CCH propyne 1A'C3v
242 C3H6 Cyclopropane 1A1'D3h
243 CH2CHCH3 Propene 1A'Cs
244 C3H7 n-Propyl radical 2A"C1
245 C3H8 Propane 1A1C2v
246 HN3 hydrogen azide 1A'Cs
247 CH3CN Acetonitrile 1A1C3v
248 CH3NC methyl isocyanide 1A1C3v
249 NHCHNH2 aminomethanimine 1AC1
250 C2H5N Aziridine 1A'C1
251 CH3CH2NH2 Ethylamine 1A'Cs
252 CH3NHCH3 Dimethylamine 1A'Cs
253 Li2O dilithium oxide 1ΣgD∞h
254 SCN- thiocyanide anion 1ΣC∞v
255 BO2 Boron dioxide 2A'D∞h
256 N2O Nitrous oxide 1ΣC∞v
257 CO2 Carbon dioxide 1ΣgD∞h
258 OCS Carbonyl sulfide 1ΣC∞v
259 SiO2 silicon dioxide 1ΣgD∞h
260 CS2 Carbon disulfide 1ΣgD∞h
261 OCSe Carbonyl selenide 1ΣC∞v
262 NO2 Nitrogen dioxide 2A1C2v
263 PO2 Phosphorus dioxide 2A1C2v
264 O3 Ozone 1A1Cs
265 SO2 Sulfur dioxide 1A1C2v
266 SSO Disulfur monoxide 1A'Cs
267 SeO2 Selenium dioxide 1A1C2v
268 HCCO ketenyl radical 2ΠC∞v
269 HCNO fulminic acid 1ΣC∞v
270 HNCO Isocyanic acid 1A'Cs
271 HOCN cyanic acid 1A'Cs
272 HCO2- formate anion 1A1C2v
273 HNO2 Nitrous acid 1A'Cs
274 CH2CO Ketene 1A1C2v
275 CH2O2 Dioxirane 1A1C2v
276 HCOOH Formic acid 1A'Cs
277 CH3CO Acetyl radical 2A'Cs
278 CHONH2 formamide 1A'Planar
279 CH3OO methylperoxy radical 2A"Cs
280 C2H4O Ethylene oxide 1A1C2v
281 CH2CHOH ethenol 1A'Cs
282 CH3CHO Acetaldehyde 1A'Cs
283 C2H4S Thiirane 1A1C2v
284 CH3CHS Thioacetaldehyde 1A'C1
285 CH3CH2OH Ethanol 1A'Cs
286 CH3OCH3 Dimethyl ether 1A1C2v
287 CH3CH2SH ethanethiol 1A'Cs
288 CH3SCH3 Dimethyl sulfide 1A1C2v
289 ClCN chlorocyanogen 1ΣC∞v
290 BrCN Cyanogen bromide 1ΣC∞v
291 MgCl2 Magnesium dichloride 1ΣgC2v
292 FNO Nitrosyl fluoride 1A'Cs
293 ClNO Nitrosyl chloride 1A'Cs
294 CF2 Difluoromethylene 1A1D∞h
295 CCl2 dichloromethylene 1A1C2v
296 SiCl2 Dichlorosilylene 1A1C2v
297 FOO Dioxygen monofluoride radical 2A"Cs
298 ClOO chloroperoxy radical 2A"Cs
299 OClO Chlorine dioxide 2B1D∞h
300 ClS2 Sulfur chloride 2A"Cs
301 NF2 Difluoroamino radical 2B1C2v
302 F2O Difluorine monoxide 1A1C2v
303 SF2 sulfur difluoride 1A1C2v
304 Cl2O Dichlorine monoxide 1A1C2v
305 SCl2 Sulfur dichloride 1A1C2v
306 HCCF Fluoroacetylene 1ΣC∞v
307 HFCO formyl fluoride 1A'Cs
308 BHF2 Difluoroborane 1A1C2v
309 BHCl2 Borane, dichloro- 1A1C2v
310 CH2F2 Methane, difluoro- 1A1C2v
311 CH2FCl fluorochloromethane 1A'Cs
312 CH2Cl2 Methylene chloride 1A1C2v
313 CH2Br2 dibromomethane 1A1C2v
314 SiH2Cl2 dichlorosilane 1A1C2v
315 CH2CHF Ethene, fluoro- 1A'Cs
316 C2H3Cl Ethene, chloro- 1A'Cs
317 C2H5F fluoroethane 1A'Cs
318 CH3CH2Cl Ethyl chloride 1A'Cs
319 C4 Carbon tetramer 3ΣgD∞h
320 C4H2 Diacetylene 1ΣgD∞h
321 C2H3CCH 1-Buten-3-yne 1A'C1
322 H2CCCCH2 Butatriene 1AgD2h
323 C4H6 1-Methylcyclopropene 1AC1
324 C4H6 Cyclobutene 1A1C2v
325 C4H6 Methylenecyclopropane 1A1C2v
326 CH3CCCH3 2-Butyne 1A1'D3h
327 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
328 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
329 C(CH3)3 Tert-butyl radical 2A"C3v
330 CH3CH2CH2CH3 Butane 1AgAnti
331 C2N2 Cyanogen 1ΣgD∞h
332 P4 Phosphorus tetramer 1A1Td
333 HCCCN Cyanoacetylene 1ΣC∞v
334 C3H3N acrylonitrile 1A'Cs
335 C3H7N Cyclopropylamine 1A'C1
336 C4H8 cyclobutane 1A1D2d
337 C2H8N2 Ethylenediamine 1AgC2h
338 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
339 N(CH3)3 Trimethylamine 1A1C3v
340 B2O2 Diboron dioxide 1ΣgD∞h
341 CO3-- carbonate 1A1'D3h
342 SO3 Sulfur trioxide 1A1'D3h
343 HNO3 Nitric acid 1A'Cs
344 C2H2O2 Ethanedial 1AgC2h
345 CH3COO- acetate anion 1A'eclipsed
346 CH3NO2 Methane, nitro- 1A'Cs
347 CH3ONO Methyl nitrite 1A'C1
348 C3H4O allenol 1A'Cs
349 C3H4O Cyclopropanone 1A1C2v
350 NH2CONH2 Urea 1AC2
351 CH3COOH Acetic acid 1A'Cs
352 CH3OCHO methyl formate 1A'Cs
353 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
354 CH3CHNOH Acetaldoxime 1A'CS trans
355 CH3CONH2 Acetamide 1A'C1
356 C3H6O Propylene oxide 1AC1
357 CH3COCH3 Acetone 1A1C2v
358 C3H6S Thietane 1A'Cs
359 C3H6S Thiirane, methyl- 1AC1
360 C2H6O2 1,2-Ethanediol 1AgC2h
361 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
362 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
363 CH3SSCH3 Disulfide, dimethyl 1AC2
364 C3H7OH 1-Propanol 1A'Cs
365 CH3OC2H5 Ethane, methoxy- 1A'Cs
366 C3H7SH 1-Propanethiol 1A'Cs
367 CH3CHSHCH3 2-Propanethiol 1A'Cs
368 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
369 Na2Cl2 Disodium dichloride 1AgC2h
370 C2F2 difluoroacetylene 1ΣgD∞h
371 C2Cl2 dichloroacetylene 1ΣgC2h
372 ClNO2 Nitryl chloride 1A1C2v
373 N2F2 (Z)-Difluorodiazene 1A1C2v
374 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
375 CF2O Carbonic difluoride 1A1C2v
376 CCl2O Phosgene 1A1C2v
377 BF3 Borane, trifluoro- 1A'D3h
378 AlF3 Aluminum trifluoride 1A1'D3h
379 AlF2Cl Aluminum chloride difluoride 1A1C2v
380 AlFCl2 Aluminum dichloride fluoride 1A1C2v
381 BCl3 Borane, trichloro- 1A1'D3h
382 AlCl3 Aluminum trichloride 1A1'D3h
383 ClO3- chlorate anion 1A1C3v
384 CF3 Trifluoromethyl radical 2A1C3v
385 SOCl2 thionyl chloride 1A'Cs
386 NF3 Nitrogen trifluoride 1A1C3v
387 PF3 Phosphorus trifluoride 1A1C3v
388 PCl3 Phosphorus trichloride 1A1C3v
389 ClSSCl Disulfur dichloride 1AC2
390 BrF3 Bromine trifluoride 1A1C2v
391 CHF3 Methane, trifluoro- 1A1C3v
392 CHF2Cl difluorochloromethane 1A'Cs
393 CHFCl2 fluorodichloromethane 1A'Cs
394 CHCl3 Chloroform 1A1C3v
395 SiHCl3 Trichlorosilane 1A1C3v
396 CHBr3 bromoform 1A1C3v
397 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
398 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
399 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
400 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
401 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
402 CH3COF Acetyl fluoride 1A'NULL
403 CH3COCl Acetyl Chloride 1A'Cs
404 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
405 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
406 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
407 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
408 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
409 C5H5- cylopentadienyl anion 1A1'D5h
410 C5H6 1,3-Cyclopentadiene 1A1C2v
411 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
412 C5H6 3-Penten-1-yne, (E)- 1A'Cs
413 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
414 C5H8 1,3-Pentadiene, (E)- 1A'C1
415 C5H12 Pentane 1A1C2v
416 C5H12 Propane, 2,2-dimethyl- 1A1Td
417 C3H2N2 Malononitrile 1A1Cs
418 C3H4N2 1H-Imidazole 1A'Cs
419 C3H4N2 1H-Pyrazole 1A'Cs
420 C4H5N Cyclopropanecarbonitrile 1A'Cs
421 C4H5N Pyrrole 1A1C2v
422 C5H8 Spiropentane 1A1D2d
423 C4H9N Pyrrolidine 1A'Cs
424 C3O2 Carbon suboxide 1ΣGD∞h
425 PO4--- phosphate 1A1Td
426 SO4-- sulfate 1A1Td
427 H2SO4 Sulfuric acid 1AC1
428 C3H3NO Isoxazole 1A'Cs
429 CH3NO3 Methyl nitrate 1A'Cs
430 C4H4O Furan 1A1C2
431 C4H4S Thiophene 1A1C2v
432 C3H4O2 β–Propiolactone 1A'Cs
433 C3H4O2 2-Propenoic acid 1A'Cs
434 C3H4O2 propanedial 1AC1
435 C3H4O2 propenalol 1A'Cs
436 CH2CHCONH2 Acrylamide 1ACs
437 CH5N3S Hydrazinecarbothioamide 1AC1
438 H2NCH2COOH Glycine 1A'Cs
439 C4H6O cis-2-butenal 1ACs
440 C4H6O Cyclobutanone 1A1C2v
441 C4H6O Furan, 2,3-dihydro- 1AC1
442 C4H6O Furan, 2,5-dihydro- 1A1Cs
443 CH2CHOCHCH2 Vinyl ether 1A1C2v
444 CHOCHCHCH3 2-Butenal 1A'Cs
445 C4H6S Thiophene, 2,3-dihydro- 1AC1
446 CH3COOCH3 methyl acetate 1A'Cs
447 C2H6O2S Dimethyl sulfone 1A1C2v
448 CH3SSSCH3 dimethyl trisulfide 1AC2
449 C4H8O Cyclobutanol 1A'C1
450 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
451 C3H8S2 1,3-Propanedithiol 1A1C1
452 FNO3 Fluorine nitrate 1A'Cs
453 ClO4- perchlorate anion 1A1Td
454 BF4- tetrafluoroboron anion 1A1Td
455 ClFO3 Perchloryl fluoride 1A1Cs
456 SO2Cl2 Sulfuryl chloride 1A1C2v
457 F3NO Nitrogen trifluoride oxide 1A1C3v
458 F3PO Phosphoryl fluoride 1A1C3v
459 Cl3PO Phosphoryl chloride 1A1C3v
460 CF4 Carbon tetrafluoride 1A1Td
461 CF3Cl Methane, chlorotrifluoro- 1A1C3v
462 SiF4 Silicon tetrafluoride 1A1Td
463 CF2Cl2 difluorodichloromethane 1A1C2v
464 CFCl3 Trichloromonofluoromethane 1A1C3v
465 CCl4 Carbon tetrachloride 1A1Td
466 SiCl4 Silane, tetrachloro- 1A1Td
467 CBr4 Carbon tetrabromide 1A1Td
468 SF4 Sulfur tetrafluoride 1A1C2v
469 C2HF3 Trifluoroethylene 1A'Cs
470 CHClCCl2 Trichloroethylene 1A'Cs
471 HSO3F Fluorosulfonic acid 1AC1
472 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
473 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
474 C3H5ClO Oxirane, (chloromethyl)- 1AC1
475 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
476 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v

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 He- Helium atom anion he-  
5 He+ Helium atom cation he+  
6 HeH Helium hydride heh  
7 HeH+ Helium hydride cation heh+  
8 He2+ helium diatomic cation he2+  
9 Li- Lithium atom anion li-  
10 Li+ Lithium atom cation li+  
11 Na- Sodium atom anion na-  
12 K Potassium atom k  
13 K- Potassium atom anion k-  
14 K+ Potassium atom cation k+  
15 Cu Copper atom cu  
16 Cu- Copper atom anion cu-  
17 Cu+ Copper atom cation cu+  
18 LiH- lithium hydride anion lih-  
19 NaH- sodium hydride anion nah-  
20 NaH+ sodium hydride cation nah+  
21 KH Potassium hydride kh  
22 KH+ Potassium hydrogen cation kh+  
23 CuH Copper monohydride cuh  
24 Be- Beryllium atom anion be-  
25 Be+ Beryllium atom cation be+  
26 Mg- Magnesium atom anion mg-  
27 Mg+ Magnesium atom cation mg+  
28 Ca Calcium atom ca  
29 Ca- Calcium atom anion ca-  
30 Ca+ Calcium atom cation ca+  
31 Zn Zinc atom zn  
32 Zn- Zinc atom anion zn-  
33 Zn+ Zinc atom cation zn+  
34 MgH- magnesium monohydride anion mgh-  
35 MgH+ magnesium monohydride cation mgh+  
36 CaH Calcium monohydride cah  
37 CaH+ Calcium monohydride cation cah+  
38 TiH Titanium monohydride tih  
39 ZnH Zinc monohydride znh  
40 ZnH+ Zinc, protonated znh+  
41 BeH2+ Beryllium dihydride cation beh2+  
42 CaH2 Calcium Hydride cah2  
43 ZnH2 Zinc hydride znh2  
44 B- Boron atom anion b-  
45 B+ Boron atom cation b+  
46 Al- Aluminum atom anion al-  
47 Al+ Aluminum atom cation al+  
48 Sc Scandium atom sc  
49 Sc+ Scandium cation sc+  
50 Ga Gallium atom ga  
51 Ga- Gallium atom anion ga-  
52 Ga+ Gallium atom cation ga+  
53 BH+ boron monohydride cation bh+  
54 AlH- aluminum monohydride anion alh-  
55 AlH+ aluminum monohydride cation alh+  
56 ScH Scandium monohydride sch  
57 ScH+ Scandium monohydride cation sch+  
58 GaH Gallium monohydride gah  
59 GaH+ Gallium monohydride cation gah+  
60 BH2- boron dihydride anion bh2-  
61 BH2+ Boron dihydride cation bh2+  
62 AlH2- aluminum dihydride anion alh2-  
63 AlH2+ aluminum dihydride cation alh2+  
64 BH3- boron trihydride anion bh3-  
65 BH3+ boron trihydride cation bh3+  
66 AlH3- aluminum trihydride anion alh3-  
67 AlH3+ aluminum trihydride cation alh3+  
68 ScH3 Scandium trihydride sch3  
69 GaH3 Gallium trihydride gah3  
70 BH4 borohydride bh4  
71 C- Carbon atom anion c-  
72 C+ Carbon atom cation c+  
73 Si- Silicon atom anion si-  
74 Si+ Silicon atom cation si+  
75 Ti Titanium atom ti  
76 Ti- Titanium atom anion ti-  
77 Ti+ Titanium atom cation ti+  
78 Ge Germanium atom ge  
79 Ge- Germanium anion ge-  
80 Ge+ Germanium cation ge+  
81 Sn Tin atom sn  
82 Sn+ Tin cation sn+  
83 SiH- silicon monohydride anion sih-  
84 SiH+ silicon monohydride cation sih+  
85 GeH germylidene geh  
86 GeH+ Germaniun monohyrdide cation geh+  
87 CH2- methylene anion ch2-  
88 CH2+ methylene cation ch2+  
89 SiH2- silicon dihydride anion sih2-  
90 SiH2+ silicon dihydride cation sih2+  
91 GeH2 germylene geh2  
92 GeH2- germylene anion geh2-  
93 CH3+ methyl cation ch3+  
94 SiH3- Silyl anion sih3-  
95 SiH3+ Silyl cation sih3+  
96 GeH3 Germyl radical geh3  
97 GeH3+ germyl cation geh3+  
98 CD4 methane-d4 cd4  
99 CH2D2 methane-d2 ch2d2  
100 CH3D methane-d ch3d  
101 CH4- Methane anion ch4-  
102 CH4+ Methane cation ch4+  
103 CHD3 methane-d3 chd3  
104 SiH2D2 silane-d2 sih2d2  
105 SiH4+ Silane cation sih4+  
106 GeH4 Germane geh4  
107 SnH4 Stannane snh4  
108 SiH5+ Silane, protonated sih5+  
109 N Nitrogen atom n  
110 N- Nitrogen atom anion n-  
111 N+ Nitrogen atom cation n+  
112 P- Phosphorus atom anion p-  
113 P+ Phosphorus atom cation p+  
114 V Vanadium atom v  
115 V+ Vanadium atom cation v+  
116 As Arsenic atomic as  
117 As- Arsenic anion as-  
118 As+ Arsenic cation as+  
119 Sb Antimony atom sb  
120 PH- phosphorus monohydride anion ph-  
121 PH+ phosphorus monohydride cation ph+  
122 AsH Arsenic monohydride ash  
123 AsH+ Arsenic monohydride cation ash+  
124 SbH Antimony monohydride sbh  
125 NH2- amino anion nh2-  
126 NH2+ Amino cation nh2+  
127 PH2- Phosphino anion ph2-  
128 PH2+ Phosphino cation ph2+  
129 AsH2 Arsenic dihydride ash2  
130 AsH2+ Arsenic dihydride cation ash2+  
131 NH3- Ammonia anion nh3-  
132 PH3+ Phosphine cation ph3+  
133 AsH3 Arsine ash3  
134 AsH3+ Arsine cation ash3+  
135 SbH3 Stibine sbh3  
136 AsH4+ Arsonium ash4+  
137 NH4 Ammonium radical nh4  
138 PH4 Phosphoranyl radical ph4  
139 PH4+ phosphonium cation ph4+  
140 O- Oxygen atom anion o-  
141 O+ Oxygen atom cation o+  
142 S- Sulfur atom anion s-  
143 S+ Sulfur atom cation s+  
144 Cr Chromium atom cr  
145 Se- Selenium atom anion se-  
146 Se+ Selenium atom cation se+  
147 Te Tellurium atom te  
148 Te+ Tellurium atom cation te+  
149 HS+ sulfur monohydride cation sh+  
150 CrH Chromium hydride crh  
151 CrH+ Chromium hydride cation crh+  
152 HSe Selenium monohydride hse  
153 HSe- selenium monohydride anion hse-  
154 HSe+ selenium monohydride cation hse+  
155 TeH Telluryl radical teh  
156 H2O- water anion h2o-  
157 H2O+ water cation h2o+  
158 H2S- Hydrogen sulfide anion h2s-  
159 H2S+ Hydrogen sulfide cation h2s+  
160 H2Se+ Hydrogen selenide cation h2se+  
161 H2Te Hydrogen Telluride h2te  
162 H3S+ Sulfonium cation h3s+  
163 H3Se+ Hydrogen Selenide, protonated h3se+  
164 F- Fluorine atom anion f-  
165 F+ Fluorine atom cation f+  
166 Cl- Chlorine atom anion cl-  
167 Cl+ Chlorine atom cation cl+  
168 Mn Manganese atom mn  
169 Br- Bromine atom anion br-  
170 Br+ Bromine atom cation br+  
171 I Iodine atom iodine  
172 I- Iodine atom anion iodine-  
173 I+ Iodine atom cation iodine+  
174 HCl- hydrogen chloride anion hcl-  
175 HCl+ hydrogen chloride cation hcl+  
176 HBr- hydrogen bromide anion hbr-  
177 HBr+ hydrogen bromide cation hbr+  
178 HI Hydrogen iodide hi  
179 HI+ Hydrogen iodide cation hi+  
180 H2Cl+ dihydrogen monochloride cation h2cl+  
181 H2Br+ protonated hydrogen bromide h2br+  
182 H2I+ Iodonium h2i+  
183 Ne- Neon atom anion ne-  
184 Ne+ Neon atom cation ne+  
185 Ar- Argon atom anion ar-  
186 Ar+ Argon atom cation ar+  
187 Fe Iron atom fe  
188 Kr Krypton atom kr  
189 Kr+ Krypton cation kr+  
190 Xe Xenon atom xe  
191 HeLi+ Helium Lithium cation heli+  
192 NeH neon hydrogen neh  
193 ArH+ Argon hydride cation arh+  
194 KrH+ Protonated Krypton krh+  
195 XeH+ Xenon, protonated xeh+  
196 H2Ar H2 Ar dimer h2ar  
197 Co Cobalt atom cobalt  
198 Ni Nickel atom ni  
199 Li2- lithium diatomic anion li2-  
200 NaLi- lithium sodium anion lina-  
201 NaLi+ lithium sodium cation lina+  
202 LiK Lithium Potassium lik  
203 Na2- sodium diatomic anion na2-  
204 Na2+ sodium diatomic cation na2+  
205 NaK Sodium Potassium nak  
206 NaK+ Sodium Potassium diatomic cation nak+  
207 K2 Potassium diatomic k2  
208 Cu2 Copper diatomic cu2  
209 LiBe Lithium Beryllium libe  
210 LiMg Lithium magnesium limg  
211 NaBe Sodium Beryllium nabe  
212 NaMg Sodium Magnesium namg  
213 Be2 Beryllium diatomic be2  
214 Be2- Beryllium diatomic anion be2-  
215 BeMg Beryllium Magnesium bemg  
216 Mg2- magnesium diatomic anion mg2-  
217 Mg2+ magnesium diatomic cation mg2+  
218 Ca2 Calcium diatomic ca2  
219 LiB Lithium boride lib  
220 LiAl Lithium Aluminum lial  
221 NaAl Sodium aluminum naal  
222 BeB Beryllium monoboride beb  
223 B2 Boron diatomic b2  
224 B2- Boron diatomic anion b2-  
225 B2+ Boron diatomic cation b2+  
226 BAl Boron Aluminum bal  
227 Al2- aluminum diatomic anion al2-  
228 Al2+ aluminum diatomic cation al2+  
229 BGa Boron Gallium bga  
230 AlGa Aluminum Gallium alga  
231 Ga2 Gallium diatomic ga2  
232 HBBH Diborane(2) hbbh  
233 LiBH4 Lithium borohydride libh4  
234 B2H4 Diborane(4) D2d b2h4  
235 HBHHBH Diborane(4) C2V hbhhbh  
236 B2H6+ Diborane cation b2h6  
237 Al2H6 dialane al2h6  
238 Ga2H6 digallane ga2h6  
239 LiC Lithium Carbide lic  
240 BeC Beryllium Carbide bec  
241 CaC Calcium monocarbide cac  
242 BC boron monocarbide bc  
243 BC- boron monocarbide anion bc-  
244 BC+ boron monocarbide cation bc+  
245 AlC Aluminum carbide alc  
246 BSi Boron silicide bsi  
247 C2+ carbon diatomic cation c2+  
248 SiC silicon monocarbide sic  
249 SiC- silicon monocarbide anion sic-  
250 SiC+ silicon monocarbide cation sic+  
251 Si2 Silicon diatomic si2  
252 Si2- silcon diatomic anion si2-  
253 Si2+ silcon diatomic cation si2+  
254 GeC Germanium monocarbide gec  
255 SiGe Silicon Germanium sige  
256 Ge2 Germanium diatomic ge2  
257 C2H- Ethynyl anion c2h-  
258 C2H+ Ethynyl cation c2h+  
259 ZnCH2 Zinc methylene znch2  
260 H2CC- vinylidene anion h2cc-  
261 HCCH- acetylene anion c2h2-  
262 Si2H2 disilyne si2h2  
263 CH3Li methyl lithium ch3li  
264 CuCH3 monomethyl copper cuch3  
265 ZnCH3 Zinc monomethyl znch3  
266 CH2BH methyleneborane ch2bh  
267 C2H3- vinyl anion c2h3-  
268 C2H3+ vinyl cation c2h3+  
269 C2H4- Ethylene anion c2h4-  
270 C2H4+ Ethylene cation c2h4+  
271 CH3CH methylmethylene ch3ch  
272 CH2SiH2 silaethylene ch2sih2  
273 Si2H4 Disilene si2h4  
274 CH3BH2 methylborane ch3bh2  
275 C2H5- Ethyl anion c2h5-  
276 C2H5+ Ethyl cation c2h5+  
277 C2H6+ ethane cation c2h6+  
278 GeH3CH3 methyl germane geh3ch3  
279 C2H7+ Ethane, protonated c2h7+  
280 LiN Lithium Nitride lin  
281 LiN+ Lithium Nitride cation lin+  
282 LiP Lithium monophosphide lip  
283 BeN Beryllium mononitride ben  
284 BeN- Beryllium mononitride anion ben-  
285 BeN+ Beryllium mononitride cation ben+  
286 MgN Magnesium Nitride mgn  
287 AlN- aluminum mononitride anion aln-  
288 AlN+ aluminum mononitride cation aln+  
289 BP Boron monophosphide bp  
290 AlP Aluminum monophosphide alp  
291 GaN Gallium mononitride gan  
292 GaP Gallium monophosphide gap  
293 GaAs Gallium arsenide gaas  
294 BN+ boron nitride cation bn+  
295 CP- carbon monophosphide anion cp-  
296 CP+ carbon monophosphide cation cp+  
297 SiN- silicon mononitride anion sin-  
298 SiN+ silicon mononitride cation sin+  
299 SiP Silicon monophosphide sip  
300 SiP- Silicon monophosphide anion sip-  
301 SiP+ Silicon monophosphide cation sip+  
302 TiN Titanium mononitride tin  
303 PN- phosphorus nitride anion pn-  
304 PN+ phosphorus nitride cation pn+  
305 P2- phosphorus diatomic anion p2-  
306 P2+ phosphorus diatomic cation p2+  
307 AsN Arsenic mononitride asn  
308 AsP Arsenic monophosphide asp  
309 SbN Antimony nitride sbn  
310 As2 Arsenic diatomic as2  
311 HNB hydrogen nitrogen boron hnb  
312 HCN- Hydrogen cyanide anion hcn-  
313 HCN+ hydrogen cyanide cation hcn+  
314 HNC+ hydrogen isocyanide cation hnc+  
315 HCP+ Phosphaethyne cation hcp+  
316 NNH+ Dinitrogen monohydride cation nnh+  
317 HPO+ Hydrogen phosphorus oxide cation hpo+  
318 LiNH2 lithium amide linh2  
319 HBNH Boranimine hbnh  
320 CNH2 Aminomethylidyne radical cnh2  
321 CNH2+ N-protonated hydrogen isocyanide cnh2+  
322 H2CN Dihydrogen cyanide radical h2cn  
323 H2CN+ hydrocyanonium cation h2cn+  
324 HCNH methyleneazane hcnh  
325 HCNH+ N-protonated HCN hcnh+  
326 H2NN Isodiazene h2nn  
327 N2H2 (Z)-Diazene n2h2z  
328 N2H2+ trans-diazene cation n2h2+  
329 CH2NH+ Methanimine cation ch2nh+  
330 CHNH2 aminomethylene chnh2  
331 CHNH2+ Aminocarbene cation chnh2+  
332 CH2PH Phosphaethene ch3p  
333 BH2NH2 Boranamine bh2nh2  
334 N2H4+ hydrazine cation n2h4+  
335 CH3NH2+ methyl amine cation ch3nh2+  
336 SiH3NH2 Silane, amino sih3nh2  
337 N2H5+ protonated hydrazine n2h5+  
338 BH3PH3 borane phosphine bh3ph3  
339 BH3NH3 borane ammonia bh3nh3  
340 CH3NH3 methyl ammonium radical ch3nh3  
341 CH3NH3+ protonated methylamine ch3nh3+  
342 CH3PH3+ methyl phosphine, protonated ch3ph3+  
343 NH3NH3 Ammonia Dimer nh3nh3  
344 N2H7+ ammonia ammonium dimer n2h7+  
345 LiO- lithium oxide anion lio-  
346 LiO+ lithium oxide cation lio+  
347 LiS Lithium monosulfide lis  
348 LiS+ Lithium sulfide cation lis+  
349 NaO- sodium oxide anion nao-  
350 NaO+ sodium oxide cation nao+  
351 KO Potassium monoxide ko  
352 KO+ Potassium monoxide cation ko+  
353 NaS Sodium sulfide nas  
354 CuO Copper Monoxide cuo  
355 LiSe Lithium monoselenide lise  
356 BeO- Beryllium monoxide anion beo-  
357 BeO+ Beryllium monoxide cation beo+  
358 MgO- magnesium oxide anion mgo-  
359 MgO+ magnesium oxide cation mgo+  
360 CaO Calcium monoxide cao  
361 MgS- magnesium sulfide anion mgs-  
362 MgS+ magnesium sulfide cation mgs+  
363 CaS Calcium sulfide cas  
364 ZnO zinc monoxide zno  
365 ZnS Zinc sulfide zns  
366 BeS- Beryllium monosulfide anion bes-  
367 BeS+ Beryllium monosulfide cation bes+  
368 BO- boron monoxide anion bo-  
369 AlO- Aluminum monoxide anion alo-  
370 AlO+ aluminum monoxide cation alo+  
371 BS- boron monosulfide anion bs-  
372 BS+ boron monosulfide cation bs+  
373 AlS- aluminum monosulfide anion als-  
374 AlS+ aluminum monosulfide cation als+  
375 ScO Scandium monoxide sco  
376 GaO Gallium monoxide gao  
377 GaS Gallium monosulfide gas  
378 CO+ carbon monoxide cation co+  
379 CS- carbon monosulfide anion cs-  
380 CS+ carbon monosulfide cation cs+  
381 SiO- silicon monoxide anion sio-  
382 SiO+ silicon monoxide cation sio+  
383 SiS- silicon monosulfide anion sis-  
384 SiS+ silicon monosulfide cation sis+  
385 TiO Titanium monoxide tio  
386 CSe- Carbon monoselenide anion cse-  
387 CSe+ Carbon monoselenide cation cse+  
388 GeO Germanium monoxide geo  
389 GeO+ Germanium monoxide cation geo+  
390 GeS Germanium monosulfide ges  
391 SiSe Silicon Monoselenide sise  
392 SiSe+ Silicon Monoselenide cation sise+  
393 GeSe Germanium monoselenide gese  
394 NS- nitrogen sulfide anion ns-  
395 NS+ nitrogen sulfide cation ns+  
396 PO- phosphorus monoxide anion po-  
397 PO+ phosphorus monoxide cation po+  
398 PS- phosphorus monosulfide anion ps-  
399 PS+ phosphorus monosulfide cation ps+  
400 VO Vanadium monoxide vo  
401 AsO Arsenic monoxide aso  
402 NSe Nitrogen monoselenide nse  
403 AsS Arsenic monosulfide ass  
404 PSe Phosphorus monoselenide pse  
405 AsSe Arsenic monoselenide asse  
406 O2-- dioxygen dianion o2--  
407 SO- sulfur monoxide anion so-  
408 SO+ sulfur monoxide cation so+  
409 S2- sulfur diatomic anion s2-  
410 S2+ sulfur diatomic cation s2+  
411 SeO- selenium monoxide anion seo-  
412 SeO+ selenium monoxide cation seo+  
413 SeS- selenium monosulfide anion ses-  
414 SeS+ selenium monosulfide cation ses+  
415 TeO Tellurium monoxide teo  
416 Se2- selenium diatomic anion se2-  
417 Se2+ selenium diatomic cation se2+  
418 Te2 Tellurium diatomic te2  
419 KOH Potassium hydroxide koh  
420 CaOH Calcium monohydroxide caoh  
421 COH Hydroxymethylidyne coh  
422 COH+ Carbon Monoxide, protonated coh+  
423 HCO- formyl anion hco-  
424 HCO+ Formyl cation hco+  
425 HCS- Thioformyl anion hcs-  
426 HCS+ Thioformyl cation hcs+  
427 HNO- Nitrosyl hydride anion hno-  
428 HNO+ Nitrosyl hydride cation hno+  
429 NOH Hydroxyimidogen noh  
430 NOH+ O-protonated nitric oxide noh+  
431 HNS Sulfur imide hns  
432 HNS- Sulfur imide anion hns-  
433 HO2- Hydroperoxy anion ho2-  
434 HO2+ Hydroperoxy cation ho2+  
435 HSO+ Sulfur Monoxide, S-protonated HSO+  
436 SOH Sulfur Hydroxide soh  
437 SOH+ Sulfur Monoxide, protonated soh+  
438 HS2 Thiosulfeno radical hs2  
439 H2CO- formaldehyde anion h2co-  
440 H2CO+ formaldehyde cation h2co+  
441 HOCH hydroxycarbene hoch  
442 H2CS- thioformaldehyde anion h2cs-  
443 H2CS+ thioformaldehyde cation h2cs+  
444 H2CSe Selenoformaldehyde h2cse  
445 H2NO nitroxide h2no  
446 H2O2+ Hydrogen peroxide cation h2o2+  
447 H2OO water oxide h2oo  
448 HOSH hydrogen thioperoxide hosh  
449 H2S2+ hydrogen disulfide cation h2s2+  
450 H2Se2 hydrogen diselenide h2se2  
451 CH3O- methoxy anion ch3o-  
452 CH3O+ Methoxy cation ch3o+  
453 H2CSH+ Thioformaldehyde, protonated h2csh+  
454 NH2OH+ Hydroxylamine cation nh2oh+  
455 NH3O Ammonia Oxide nh3o  
456 H2POH Phosphinous acid h2poh  
457 H3PO Phosphine oxide h3po  
458 NH2SH Thiohydroxylamine nh2sh  
459 NH3S sulfidoazane nh3s  
460 H3O2+ hydrogen peroxide, protonated h3o2+  
461 CH3OH- Methyl alcohol anion ch3oh-  
462 CH3OH+ Methyl alcohol cation ch3oh+  
463 CH3SH+ Methanethiol cation ch3sh+  
464 SiH3OH silanol sih3oh  
465 NH2OH2+ protonated hydroxylamine nh2oh2+  
466 NH3OH+ N-protonated hydroxylamine nh3oh+  
467 H2OH2O water dimer h2oh2o  
468 CH3OH2+ Methanol, protonated ch3oh2+  
469 CH3SH2+ protonated methylsulfide ch3sh2+  
470 H2ONH3 Water Ammonia Dimer h2onh3  
471 H5O2+ Dihydroxonium ion h5o2+  
472 LiCl- lithium chloride anion licl-  
473 LiCl+ lithium chloride cation licl+  
474 NaF- sodium fluoride anion naf-  
475 NaF+ sodium fluoride cation naf+  
476 KF Potassium Fluoride kf  
477 NaCl- sodium chloride anion nacl-  
478 NaCl+ sodium chloride cation nacl+  
479 KCl Potassium Chloride kcl  
480 CuF Copper monofluoride cuf  
481 LiBr- lithium bromide anion libr-  
482 LiBr+ lithium bromide cation libr+  
483 CuCl Copper monochloride cucl  
484 NaBr- sodium bromide anion nabr-  
485 NaBr+ sodium bromide cation nabr+  
486 KBr Potassium Bromide kbr  
487 LiI Lithium Iodide lii  
488 NaI Sodium Iodide nai  
489 KI Potassium Iodide ki  
490 LiF- lithium fluoride anion lif-  
491 LiF+ lithium fluoride cation lif+  
492 BeF- Beryllium monofluoride anion bef-  
493 BeF+ Beryllium monofluoride cation bef+  
494 MgF- magnesium fluoride anion mgf-  
495 MgF+ magnesium fluoride cation mgf+  
496 CaF Calcium monofluoride caf  
497 MgCl- magnesium monochloride anion mgcl-  
498 MgCl+ magnesium monochloride cation mgcl+  
499 CaCl calcium monochloride cacl  
500 TiCl Titanium Monochloride ticl  
501 ZnF Zinc monofluoride znf  
502 ZnF- Zinc monofluoride anion znf-  
503 ZnF+ Zinc monofluoride cation znf+  
504 ZnCl Zinc monochloride zncl  
505 CaBr Calcium monobromide cabr  
506 BeCl- beryllium monochloride anion becl-  
507 BeCl+ beryllium monochloride cation becl+  
508 BF- Boron monofluoride anion bf-  
509 BF+ Boron monofluoride cation bf+  
510 AlF- Aluminum monofluoride anion alf-  
511 AlF+ Aluminum monofluoride cation alf+  
512 BCl- boron monochloride anion bcl-  
513 BCl+ boron monochloride cation bcl+  
514 AlCl Aluminum monochloride alcl  
515 AlCl- aluminum monochloride anion alcl-  
516 AlCl+ aluminum monochloride cation alcl+  
517 ScF Scandium monofluoride scf  
518 BBr Boron monobromide bbr  
519 GaF Gallium monofluoride gaf  
520 GaF+ Gallium monofluoride cation gaf+  
521 AlBr Aluminum monobromide albr  
522 GaCl Gallium monochloride gacl  
523 GaCl+ Gallium monochloride cation gacl+  
524 AlI Aluminum monoiodide ali  
525 GaBr Gallium monobromide gabr  
526 CF- carbon monofluoride anion cf-  
527 CCl- carbon monochloride anion ccl-  
528 CCl+ carbon monochloride cation ccl+  
529 SiF- silicon monofluoride anion sif-  
530 SiF+ silicon monofluoride cation sif+  
531 SiCl- silicon monochloride anion sicl-  
532 SiCl+ silicon monochloride cation sicl+  
533 CBr Carbon monobromide cbr  
534 GeF Germanium monofluoride gef  
535 GeF+ Germanium monofluoride cation gef+  
536 GeCl Germanium monochloride gecl  
537 GeCl+ Germanium monochloride cation gecl+  
538 SiBr Silicon monobromide sibr  
539 SiBr+ Silicon monobromide cation sibr+  
540 NF- nitrogen monofluorine anion nf-  
541 NF+ nitrogen monofluoirde cation nf+  
542 NCl nitrogen monochloride ncl  
543 NCl- nitrogen monochloride anion ncl-  
544 NCl+ nitrogen monochloride cation ncl+  
545 PF- phosphorus monofluoride anion pf-  
546 PF+ phosphorus monofluoride cation pf+  
547 PCl- phosphorus monochloride anion pcl-  
548 PCl+ phosphorus monochloride cation pcl+  
549 AsF Arsenic monofluoride asf  
550 NBr nitrogen monobromide nbr  
551 AsCl Arsenic monochloride ascl  
552 PBr Phosphorus monobromide pbr  
553 SbF Antimony monofluoride sbf  
554 SbCl Antimony monochloride sbcl  
555 ClO- chlorine monoxide anion clo-  
556 ClO+ chlorine monoxide cation clo+  
557 SF- sulfur monofluoride anion sf-  
558 SF+ sulfur monofluoride cation sf+  
559 SCl- sulfur monochloride anion scl-  
560 SCl+ sulfur monochloride cation scl+  
561 BrO Bromine monoxide bro  
562 BrO- Bromine monoxide anion bro-  
563 BrO+ Bromine monoxide cation bro+  
564 SeF Selenium monofluoride sef  
565 SBr Sulfur monobromide radical sbr  
566 SBr+ Sulfur monobromide cation sbr+  
567 SeCl Selenium monochloride secl  
568 IO Iodine monoxide io  
569 SeBr Selenium monobromide sebr  
570 ClF- clorine monofluoride anion clf-  
571 ClF+ clorine monofluoride cation clf+  
572 Cl2- chlorine diatomic anion cl2-  
573 Cl2+ chlorine diatomic cation cl2+  
574 BrF- bromine fluoride anion brf-  
575 BrF+ bromine fluoride cation brf+  
576 BrCl- bromine chloride anion brcl-  
577 BrCl+ bromine chloride cation brcl+  
578 IF Iodine monofluoride if  
579 Br2- bromine diatomic anion br2-  
580 Br2+ bromine diatomic cation br2+  
581 ICl Iodine monochloride icl  
582 IBr Iodine monobromide ibr  
583 I2 Iodine diatomic i2  
584 I2+ Iodine diatomic cation i2+  
585 HCCl Chloromethylene hccl  
586 HSiF fluorosilylene hsif  
587 HSiCl Chlorosilylene hsicl  
588 HSiBr monobromosilylene hsibr  
589 CHBr bromomethylene chbr  
590 HOCl+ hypochlorous acid cation hocl+  
591 HOBr+ Hypobromous acid cation hobr+  
592 HOI Hypoiodous acid hoi  
593 F2H+ Fluorine, protonated f2h+  
594 FHF Hydrogen difluoride fhf  
595 FHF- Hydrogen difluoride anion fhf-  
596 ClFH+ Chlorine fluoride, F-protonated clfh+  
597 FClH+ Chlorine fluoride, Cl-protonated fclh+  
598 Cl2H+ Chlorine, protonated cl2h+  
599 CH2Br bromomethyl radical ch2br  
600 CH2F fluoromethyl radical ch2f  
601 CH2F+ fluoromethyl cation ch2f+  
602 CH2Cl+ chloromethyl cation ch2cl+  
603 CH2Cl chloromethyl radical ch2cl  
604 NH2F monofluoroamine nh2f  
605 NH2Cl chloramine nh2cl  
606 CH3F+ methyl fluoride cation ch3f+  
607 CD3F methylfluoride-d3 cd3f  
608 CD3Cl methyl chloride d3 cd3cl  
609 CH3Cl+ Methyl chloride cation ch3cl+  
610 GeH3F monofluorogermane geh3f  
611 GeH3Cl monochlorogermane geh3cl  
612 SiH3Br bromosilane sih3br  
613 CH3I methyl iodide ch3i  
614 SiH3I Silyl Iodide sih3i  
615 NH3Cl+ protonated monochloroammonia nh3cl+  
616 CH3ClH+ methyl chloride, protonated ch3clh+  
617 NH4Cl Ammonium chloride nh4cl  
618 LiNe+ Lithium Neon cation line+  
619 Ne2 Neon diatomic ne2  
620 Ne2+ Neon diatomic cation ne2+  
621 Ar2 Argon diatomic ar2  
622 Ar2+ Argon diatomic cation ar2+  
623 Li3 Lithium trimer li3  
624 Li3+ Lithium trimer cation li3+  
625 C3+ carbon trimer cation c3+  
626 SiC2 Silicon dicarbide sic2  
627 C3H3 cyclopropenyl radical cpr  
628 C3H3- Propargyl anion c3h3-  
629 C3H3+ cyclopropenyl cation cpr+  
630 C3H3+ Propargyl cation c3h3+  
631 C3H4 cyclopropene cprop  
632 C3H5 Allyl radical allyl  
633 C3H5+ Allyl cation allyl+  
634 CH3CHCH 1-propenyl radical ch3chch  
635 Zn(CH3)2 dimethyl zinc dmz  
636 C3H7+ cyclopropane, protonated c3h7+  
637 CH3CHCH3 Isopropyl radical isopropyl  
638 CH3CHCH3+ Isopropyl cation prop2yl+  
639 SiH2(CH3)2 dimethylsilane dms  
640 Si3H8 trisilane si3h8  
641 LiCN lithium cyanide licn  
642 NaCN Sodium Cyanide nacn  
643 KCN Potassium cyanide kcn  
644 CuCN Copper cyanide cucn  
645 ZnCN Zinc monocyanide zncn  
646 ZnNC Zinc isocyanide znnc  
647 AlCN Aluminum monocyanide alcn  
648 AlNC Aluminum isocyanide alnc  
649 CN2 3H-Diazirin-3-ylidene cn2  
650 CNN Diazocarbene cnn  
651 NCN Cyanoimidogen ncn  
652 N3 azide radical n3  
653 N3- azide anion n3-  
654 N3+ azide cation n3+  
655 HCCN cyanomethylene hccn  
656 HCNN diazomethyl radical hcnn  
657 HN3+ Hydrazoic acid cation hn3+  
658 HNCNH diiminomethane hncnh  
659 CH2N2 diazirine ch2n2  
660 CH2NN diazomethane ch2nn  
661 NH2CN cyanamide cyanamide  
662 HNNNH+ 1,2-Triazadienium n2h3+  
663 NH2NN+ hydrazoic acid, protonated nh2nn+  
664 CH3CN- acetonitrile anion ch3cn-  
665 CH3CN+ Acetonitrile cation ch3cn+  
666 CHNCH2 2H-Azirine c157164  
667 CHNHCH 1H-Azirine chnhch  
668 H2CCNH Ethenimine ch2cnh  
669 H2CNCH methyleneaminomethylene ch2nch  
670 HCCNH2 Ethynamine hccnh2  
671 HCNCH2+ 2H-Azirine cation hcnch2+  
672 HNCNH2+ diiminomethane, protonated hncnh2+  
673 NCNH3+ Cyanamide, protonated ncnh3+  
674 NH2CNH+ cyanamide, cn protonated nh2cnh+  
675 NH3CN+ cyanamide, amine protonated nh3cn+  
676 CH2CHNH vinylazine ch2chnh  
677 CH3CHN methylmethaniminyl radical ch3chn  
678 CH2CHNH2 aminoethene aminoethene  
679 CH2NCH3 N-methylmethanimine nmm  
680 CH3CHNH ethanimine ethanimine  
681 NH2BHNH2 diaminoborane nh2bhnh2  
682 C2H5NH+ Protonated Aziridine c2h5nh+  
683 C2H6N+ aziridine, protonated c2h6n+  
684 NH2CH2NH2 diaminomethane nh2ch2nh2  
685 CH3PHCH3 dimethylphosphine ch3phch3  
686 NH2CH2NH3+ diaminoethane, protonated pdam  
687 (CH3)2NH2+ dimethylammonium cation dmam  
688 CH3CH2NH3+ ethylamine, protonated pea  
689 Li2O+ dilithium oxide cation li2o+  
690 Li2S dilithium sulfide li2s  
691 Na2O disodium monoxide na2o  
692 Na2S Sodium sulfide na2s  
693 LiO2 Lithium dioxide lio2  
694 NaO2 Sodium superoxide nao2  
695 CCO Dicarbon monoxide cco  
696 CNO- fulminate cno-  
697 NCO isocyanato radical nco  
698 NCO- cyanate nco-  
699 SCN thiocyanato radical scn  
700 BO2- Boron dioxide anion bo2-  
701 BO2+ Boron dioxide cation bo2+  
702 N2O- Nitrous oxide anion n2o-  
703 N2O+ Nitrous oxide cation n2o+  
704 NNS Nitrogen sulfide nns  
705 PPO Phosphorus oxide phosphide ppo  
706 CO2- Carbon dioxide anion co2-  
707 CO2+ Carbon dioxide cation co2+  
708 OCS+ Carbonyl sulfide cation cos+  
709 CS2- Carbon disulfide anion cs2-  
710 CS2+ Carbon disulfide cation cs2+  
711 TiO2 Titanium dioxide tio2  
712 SiS2 Silicon disulfide sis2  
713 GeO2 Germanium dioxide geo2  
714 SCSe Carbon sulfide selenide scse  
715 GeS2 Germanium disulfide ges2  
716 CSe2 Carbon diselenide cse2  
717 SCTe Carbon sulfide Telluride scte  
718 NO2- Nitrogen dioxide anion no2-  
719 NO2+ Nitrogen dioxide cation no2+  
720 NSO sulfinyl amidogen NSO  
721 PO2- Phosphorus dioxide anion po2-  
722 PO2+ Phosphorus dioxide cation po2+  
723 SNO Nitrogen oxide sulfide sno  
724 AsO2 Aresenic dioxide aso2  
725 O3- Ozone anion o3-  
726 O3+ Ozone cation o3+  
727 SO2- Sulfur dioxide anion so2-  
728 SO2+ Sulfur dioxide cation so2+  
729 S3 Sulfur trimer s3  
730 S3- Sulfur trimer anion s3-  
731 S3+ Sulfur trimer cation s3+  
732 SeO2+ Selenium dioxide cation seo2+  
733 TeO2 Tellurium Dioxide teo2  
734 CS2H+ Carbon disulfide, protonated cs2h+  
735 HNCS Isothiocyanic acid hncs  
736 HSCN thiocyanic acid hscn  
737 HNNO nitrosoazane hnno  
738 HNNO+ Nitrous oxide, N-protonated hnno+  
739 NNOH+ Nitrous Oxide, O-protonated nnoh+  
740 HCOO formate neutral radical hcoo  
741 HOCO Hydrocarboxyl radical hoco  
742 HOCO+ Hydrocarboxyl cation hoco+  
743 HNO2+ nitrous acid cation hno2+  
744 O3H+ protonated ozone o3h+  
745 SO2H+ protonated sulfur dioxide so2h+  
746 C2H2O Oxirene oxirene  
747 CH2CO+ Ketene cation ch2co+  
748 HCCOH ethynol hccoh  
749 CH2CS Thioketene ch2cs  
750 Be(OH)2 Beryllium hydroxide beo2h2  
751 Mg(OH)2 Magnesium dihydroxide h2mgo2  
752 NH2NO Nitrosamide nh2no  
753 H2COO Dioxymethyl radical h2coo  
754 H2COO+ dioxymethyl cation h2coo+  
755 H2O3 Hydrogen trioxide h2o3  
756 HSSSH trisulfane hsssh  
757 NaOCH3 Sodium methoxide naoch3  
758 CH2BOH hydroxy(methylene)borane ch2boh  
759 BH3CO Borane carbonyl bh3co  
760 CH3BO Borane, methyloxo- ch3bo  
761 CH2CHO Vinyloxy radical ch2cho  
762 CH2COH+ ketene, protonated ch2coh+  
763 CH3CO- Acetyl anion ch3co-  
764 CH3CO+ acetyl cation ch3co+  
765 CH2NOH formaldoxime ch2noh  
766 CH3NO nitrosomethane ch3no  
767 CNOH3 1,2-oxaziridine cnoh3  
768 HOCHNH hydroxymethylimine hochnh  
769 CHSNH2 thioformamide chsnh2  
770 NHCHSH Methanimidothioic acid nhchsh  
771 CH2OOH CH2OOH radical ch2ooh  
772 CH3OO- methylperoxy anion ch3oo-  
773 CH3OO+ methylperoxy cation ch3oo+  
774 C2H4O+ ethylene oxide cation c2h4o+  
775 CH3CHO+ acetaldehyde cation ch3cho+  
776 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
777 CH2CHSH Ethenethiol ch2chsh  
778 H2CONH2+ protonated formamide h2conh2+  
779 NH2CHOH+ Formamide, O-protonated nh2choh+  
780 NH3CHO+ Formamide, N-Protonated nh3cho+  
781 CH2(OH)2 methanediol ch2o2h2  
782 CH3OOH Methyl peroxide ch3ooh  
783 CH3SSH Hydrogen methyl disulfide ch3ssh  
784 HSCH2SH Methanedithiol ch4s2  
785 H2OH2CO water formaldehyde dimer h2oh2co  
786 C2H4OH+ ethylene oxide, protonated c2h4oh+  
787 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
788 CH3CH2O Ethoxy radical ethoxy  
789 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
790 CH3CHOH+ acetaldehyde, protonated ch3choh+  
791 CH3OCH2 methoxymethyl radical ch3och2  
792 NH2CH2OH aminomethanol nh2ch2oh  
793 CH3SCH3+ dimethyl sulfide cation mesme+  
794 CH3SeCH3 dimethylselenide dmse  
795 CH3OHH2O methanol water dimer ch3ohh2o  
796 H2OCH3OH water methanol dimer h2och3oh  
797 CuF2 Copper difluoride cuf2  
798 ZnF2 Zinc difluoride znf2  
799 CNF iso cyanogen fluoride cnf  
800 FCN Cyanogen fluoride fcn  
801 ICN Cyanogen iodide icn  
802 FBO Boron monofluoride monoxide fbo  
803 BeF2 Beryllium fluoride bef2  
804 MgF2 Magnesium fluoride mgf2  
805 BeCl2 Beryllium chloride becl2  
806 CaCl2 Calcium Chloride cacl2  
807 ZnCl2 Zinc dichloride zncl2  
808 BeBr2 Beryllium bromide bebr2  
809 CaBr2 Calcium dibromide cabr2  
810 CaF2 Calcium difluoride caf2  
811 FCO Carbonyl fluoride fco  
812 FCO+ Carbonyl fluoride cation fco+  
813 ClCO carbonyl monochloride clco  
814 BF2 Boron difluoride radical bf2  
815 FNS Thionitrosyl fluoride fns  
816 FSN Thiazyl fluoride fsn  
817 OPCl Phosphorus oxychloride opcl  
818 BrNO Nitrosyl bromide brno  
819 INO Nitrosyl iodide ino  
820 CF2- Difluoromethylene anion cf2-  
821 CF2+ Difluoromethylene cation cf2+  
822 CFCl chlorofluoromethylene cfcl  
823 SiF2 Silicon difluoride sif2  
824 SiF2+ Silicon difluoride cation sif2+  
825 CCl2- dichloromethylene anion ccl2-  
826 CCl2+ dichloromethylene cation ccl2+  
827 GeF2 Germanium difluoride gef2  
828 GeCl2 Germanium dichloride gecl2  
829 CBr2 dibromomethylene cbr2  
830 FOO+ Fluorine dioxide cation foo+  
831 ClOO+ chloroperoxy cation cloo+  
832 OClO- Chlorine dioxide anion oclo-  
833 OClO+ Chlorine dioxide cation oclo+  
834 ClSO Sulfur chloride oxide clso  
835 BrOO Bromine dioxide broo  
836 OBrO Bromine dioxide radical obro  
837 NF2+ Difluoroamino cation nf2+  
838 PF2 Phosphorus difluoride pf2  
839 PF2+ Phosphorus difluoride cation pf2+  
840 FClO chlorosyl fluoride fclo  
841 ClOF Chlorine hypofluorite clof  
842 SF2- sulfur difluoride anion sf2-  
843 SF2+ sulfur difluoride cation sf2+  
844 SeF2 Selenium difluoride sef2  
845 BrOCl Bromine hypochlorite brocl  
846 SeCl2 Selenium Dichloride secl2  
847 SBr2 Sulfur dibromide sbr2  
848 SeBr2 Selenium dibromide sebr2  
849 BrOBr Bromine oxide brobr  
850 F3- trifluoride anion f3-  
851 Cl3- trichloride anion cl3-  
852 Br3- tribromide anion br3-  
853 I3- triiodide i3-  
854 SFCl Sulfur chloride fluoride sfcl  
855 HCCF+ fluoroacetylene cation hccf+  
856 HCCCl Chloroacetylene hcccl  
857 HCCBr bromoacetylene hccbr  
858 HFCO+ formyl fluoride cation hfco+  
859 COHCl Formyl chloride cohcl  
860 COHBr Formyl bromide cohbr  
861 CHCl2 dichloromethyl radical chcl2  
862 CHF2 difluoromethyl radical chf2  
863 CHF2+ difluoromethyl cation chf2+  
864 CHFCl Chlorofluoromethyl radical chfcl  
865 CHFCl+ Chlorofluoromethyl cation chfcl+  
866 CHCl2+ dichloromethyl cation chcl2+  
867 CHBr2 dibromomethyl radical chbr2  
868 HOClO Chlorous acid hoclo  
869 NHF2 difluoramine nhf2  
870 NHCl2 dichloroamine nhcl2  
871 SiH2F2 difluorosilane sih2f2  
872 CH2BrF Methane, bromofluoro- ch2fbr  
873 CH2BrCl Methane, bromochloro- ch2clbr  
874 CH2FI fluoroiodomethane ch2fi  
875 CH2ClI chloroiodomethane ch2cli  
876 CH2BrI bromoiodomethane ch2bri  
877 CH2I2 Diiodomethane ch2i2  
878 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
879 CH2CHF+ fluoroethene cation ch2chf+  
880 C2H3Br vinyl bromide c2h3br  
881 C2H3I Vinyl iodide c2h3i  
882 CH2FOH fluoromethanol ch2foh  
883 CH3OCl methyl hypochlorite ch3ocl  
884 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
885 CHClCH3 1-chloroethyl radical chclch3  
886 CH3SiFH2 fluoromethylsilane ch3sifh2  
887 C2H5Br Ethyl bromide etbr  
888 C2H5I Ethyl iodide c2h5i  
889 KrF2 Krypton difluoride krf2  
890 XeF2 Xenon difluoride xef2  
891 B4H10 Tetraborane(10) b4h10  
892 C4+ Carbon tetramer cation c4+  
893 C4H2+ diacetlyene cation c4h2+  
894 C4H4 cyclobutadiene cbd  
895 C4H4 Tetrahedrane c4h4  
896 CH2CCHCH3 1,2-Butadiene butad12  
897 CH2CHCHCH2 1,3-Butadiene c106990  
898 CHCCH2CH3 1-Butyne c107006  
899 CH3CHCHCH2 methylallyl radical c4h7  
900 C4H8 methylcyclopropane mcp  
901 CH2CHCH2CH3 1-Butene bute1  
902 CH3CHCHCH3 2-Butene, (Z)- bute2z  
903 B(CH3)3 trimethylborane bme3  
904 Al(CH3)3 trimethyl aluminum tma  
905 CH2CH(CH3)2 Isobutyl radical isobutyl  
906 CH3CHCH2CH3 2-Butyl radical butyl2  
907 CH3CH(CH3)CH3 Isobutane isobutane  
908 SiH(CH3)3 trimethylsilane trimsi  
909 Li3N trilithium nitride li3n  
910 C2N2+ Cyanogen cation c2n2+  
911 As4 Arsenic tetramer as4  
912 HCCCN+ Cyanoacetylene cation hcccn+  
913 H2CNCN cyanamide, methylene ch2ncn  
914 HNCCNH Ethenediimine hnccnh  
915 C3H3N+ acrylonitrile cation ch2chcn+  
916 CH3N3 methyl azide ch3n3  
917 NH2CCNH2 Diaminoacetylene daa  
918 NH2CH2CN Aminoacetonitrile aan  
919 CH3NHN2+ methyl azide, protonated ch3nhn2+  
920 C2H5CN ethyl cyanide c2h5cn  
921 CH5N3 Guanidine guanidine  
922 C4H6 Bicyclo[1.1.0]butane c157335  
923 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
924 H2NCHCHNH2 diaminoethylene dae  
925 CH6N3+ guanidinium ch6n3+  
926 CH7N3 triaminomethane tam  
927 C3H7N Azetidine azet  
928 CH3NHNHCH3 dimethyl hydrazine dmh  
929 NH2CH2CH2CH3 1-Propanamine pram1  
930 P(CH3)3 trimethylphosphine tmp  
931 N(SiH3)3 trisilylamine tsa  
932 As(CH3)3 trimethyl arsine tmas  
933 (CH3)3NH+ protonated trimethyl amine ptma  
934 C3H7NH3+ n-propylamine, protonated c3h7nh2  
935 Li2O2 dilithium dioxide li2o2  
936 Na2O2 disodium dioxide na2o2  
937 K2O2 dipotassium dioxide k2o2  
938 C3O Tricarbon monoxide c3o  
939 ONNO NO dimer onno  
940 S2N2 Disulfur dinitride s2n2  
941 CO3 Carbon trioxide co3  
942 CS3-- Carbonotrithioate cs3--  
943 NO3 Nitrogen trioxide no3  
944 NO3- nitrate anion no3-  
945 NO3+ nitrogen trioxide cation no3+  
946 SO3- Sulfur trioxide anion so3-  
947 SO3-- Sulfate dianion so3--  
948 SO3+ Sulfur trioxide cation so3+  
949 SeO3 selenium trioxide seo3  
950 S4 Sulfur tetramer s4  
951 TeO3 Tellurium trioxide teo3  
952 HCO3- bicarbonate anion hco3-  
953 HSO3 Hydroxysulfonyl radical hso3  
954 NH2NO2 nitramide nh2no2  
955 C2H2CO cyclopropenone c2h2co  
956 C3H2O Propadienal c3h2o  
957 HCCCHO 2-propynal hcccho  
958 C2H2O2+ Ethanedial cation c2h2o2+  
959 H2CO3 Carbonic acid h2co3  
960 H2CS3 thiocarbonic acid h2cs3  
961 H2NO3+ Nitric Acid, Protonated h2no3+  
962 H2SO3 Sulfurous acid h2so3  
963 C2H3NO Nitrosoethylene c2h3no  
964 CH3NCO methylisocyante ch3nco  
965 HOCH2CN cyanomethanol hoch2cn  
966 NH2COOH Carbamic acid nh2cooh  
967 H3BO3 Boric acid h3bo3  
968 H3AlO3 Aluminum hydroxide h3alo3  
969 H3CO3+ carbonic acid, protonated h3co3+  
970 C3H4O 2-Propyn-1-ol c107197  
971 C3H4O Methylketene c6004440  
972 CH2CHCHO Acrolein c3h4o  
973 NH2CONH2+ Urea cation urea+  
974 NH2CSNH2 Thiourea thiourea  
975 C2H4O2 1,3-dioxetane c2h4o2  
976 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
977 NH3COOH+ protonated Carbamic acid nh3cooh+  
978 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
979 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
980 HCOOHH2O Formic acid water dimer hcoohh2o  
981 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
982 CH3COCH2 Acetonyl radical ch3coch2  
983 CH2C(OH)NH2 1-amino vinyl alchohol ava  
984 CH3C(OH)=NH Ethaninidic acid eia  
985 HCONHCH3 N-methylformamide nmfa  
986 CH3CSNH2 Ethanethioamide ch3csnh2  
987 CH5N2O+ urea, N-protonated ch4n2o+  
988 H2NCOHNH2+ urea, protonated ureah+  
989 C2H5OO ethylperoxy radical c2h5oo  
990 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
991 C3H5OH Cyclopropanol cproh  
992 C3H6O 2-Propen-1-ol c107186  
993 C3H6O Acetone enol enol  
994 C3H6O Oxetane oxetane  
995 CH3CH2CHO Propanal propanal  
996 CH3COCH3- acetone anion ch3coch3-  
997 CH3CSCH3 Thioacetone ch3csch3  
998 CH3OOCH3 dimethylperoxide dmp  
999 CH3COHCH3+ acetone, protonated acetoneh+  
1000 HOCH2CH2NH2 monoethanolamine mea  
1001 CH3CHOHCH3 Isopropyl alcohol isoproh  
1002 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1003 Li2F2 Lithium fluoride dimer li2f2  
1004 Na2F2 Sodium Fluoride Dimer na2f2  
1005 C2Cl2+ dichloroacetylene cation c2cl2+  
1006 FNO2 Nitryl fluoride fno2  
1007 FONO Nitrosyl hypofluorite fono  
1008 ClONO chlorine nitrite clono  
1009 BrONO Bromine nitrite brono  
1010 CF2O+ Carbonic difluoride cation f2co+  
1011 COFCl Carbonic chloride fluoride cofcl  
1012 Cl2CS Thiophosgene cl2cs  
1013 COBr2 Carbonic dibromide cobr2  
1014 BF3- Borane, trifluoro- anion bf3-  
1015 BF3+ boron trifluoride cation bf3+  
1016 BClF2 Chlorodifluoroborane bclf2  
1017 ScF3 Scandium trifluoride ScF3  
1018 BCl3+ Boron Trichloride cation bcl3+  
1019 GaF3 Gallium trifluoride gaf3  
1020 GaCl3 Gallium trichloride gacl3  
1021 BBr3 Boron tribromide bbr3  
1022 AlBr3 Aluminum Bromide albr3  
1023 ClO3 Chlorine trioxide clo3  
1024 BrO3- Bromate anion bro3-  
1025 CF3- Trifluoromethyl anion cf3-  
1026 CF3+ Trifluoromethyl cation cf3+  
1027 CF2Cl difluorochloromethyl radical cf2cl  
1028 SiF3 Silicon trifluoride radical sif3  
1029 SiF3+ Silicon trifluoride cation sif3+  
1030 CFCl2 dichlorofluoromethyl radical cfcl2  
1031 CCl3 Trichloromethyl radical ccl3  
1032 CCl3- Trichloromethyl anion ccl3-  
1033 CCl3+ Trichloromethyl cation ccl3+  
1034 SiCl3 trichlorosilyl radical sicl3  
1035 SiCl3+ trichlorosilyl cation sicl3+  
1036 CBr3 tribromomethyl radical cbr3  
1037 FOOF Perfluoroperoxide foof  
1038 ClO2F Chloryl fluoride clo2f  
1039 F2SO Thionyl Fluoride f2so  
1040 ClOOCl Dichlorine dioxide cloocl  
1041 FSSF Difluorodisulfane fssf  
1042 S2F2 Thio-thionyl fluoride s2f2  
1043 SSCl2 Thiothionyl chloride sscl2  
1044 SeOCl2 selenium oxychloride seocl2  
1045 NF3- Nitrogen trifluoride anion nf3-  
1046 NF3+ Nitrogen trifluoride cation nf3+  
1047 NCl3 nitrogen trichloride ncl3  
1048 AsF3 Arsenic trifluoride asf3  
1049 SbF3 Antimony Trifluoride sbf3  
1050 AsCl3 Arsenous trichloride ascl3  
1051 SbCl3 Antimony Trichloride sbcl3  
1052 NBr3 Nitrogen Tribromide nbr3  
1053 PBr3 Phosphorus tribromide pbr3  
1054 AsBr3 Arsenic tribromide asbr3  
1055 NI3 Nitrogen triiodide ni3  
1056 PI3 Phosphorus triiodide pi3  
1057 SF3 Sulfur trifluoride sf3  
1058 ClF3 Chlorine trifluoride clf3  
1059 IF3 iodone trifluoride if3  
1060 HClO3 Chloric Acid hclo3  
1061 SiHF3 trifluorosilane sihf3  
1062 CDCl3 trichloromethane-d cdcl3  
1063 CHBrF2 Methane, bromodifluoro- chbrf2  
1064 CHFClBr fluorochlorobromomethane chfclbr  
1065 CHBrCl2 Methane, bromodichloro- chbrcl2  
1066 CHF2I difluoroiodomethane chf2i  
1067 CHBr2F dibromofluoromethane chbr2f  
1068 CHFClI fluorochloroiodomethane chfcli  
1069 CHCl2I dichloroiodomethane chcl2i  
1070 CHClBr2 Methane, dibromochloro- chclbr2  
1071 CHI3 Iodoform chi3  
1072 NF3H+ protonated nitrogen trifluoride nf3h+  
1073 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1074 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1075 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1076 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1077 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1078 C2H2Br2 1,1-dibromoethene c2h2br2  
1079 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1080 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1081 CH2FCHO Fluoroacetaldehyde ch2fcho  
1082 CH2ClCHO chloroacetaldehyde ch2clcho  
1083 C2H4F2 1,2-difluoroethane c2h4f2  
1084 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1085 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1086 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1087 CH2CFCH3 2-fluoropropene 2fpro  
1088 CH2CHCH2F Allyl Fluoride allylf  
1089 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1090 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1091 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1092 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1093 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1094 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1095 CH2FCH2CH3 1-Fluoropropane prf1  
1096 CH3CHFCH3 2-Fluoropropane prf2  
1097 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1098 CH3CHClCH3 Propane, 2-chloro- prcl2  
1099 CH3CH2CH2Br n-propyl bromide prbr  
1100 CH3CHBrCH3 i-propyl bromide iprbr  
1101 C3H9O+ trimethyl oxonium cation c3h9o+  
1102 B5H9 pentaborane9 b5h9  
1103 C5H4 pentatetraene ptrene  
1104 C5H5 cyclopentadienyl radical c5h5  
1105 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1106 C5H6 Cyclopropylacetylene c6746947  
1107 C5H6 Propellane propellane  
1108 C5H7 1,3-pentadienyl radical pdyl  
1109 C5H7 cyclopentenyl radical cpyl  
1110 C5H8 1,2-Butadiene, 3-methyl- c598254  
1111 C5H8 1,2-Pentadiene c591957  
1112 C5H8 1,3-Butadiene, 2-methyl- c78795  
1113 C5H8 1,3-Pentadiene, (Z)- c1574410  
1114 C5H8 1,4-Pentadiene c591935  
1115 C5H8 1-pentyne a1pentyne  
1116 C5H8 2,3-Pentadiene c591968  
1117 C5H8 Bicyclo[1.1.1]pentane bcp  
1118 C5H8 Cyclobutane, methylene- c1120565  
1119 C5H8 Cyclopentene c142290  
1120 C5H8 Ethenylcyclopropane c693867  
1121 CH3CCCH2CH3 2-Pentyne 2pentyne  
1122 C5H10 1-Butene, 2-methyl- c563462  
1123 C5H10 2-Butene, 2-methyl- c513359  
1124 C5H10 2-Pentene, (E)- c646048  
1125 C5H10 2-Pentene, (Z)- c627203  
1126 C5H10 Cyclopentane c287923  
1127 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1128 CH2CHCH2CH2CH3 1-pentene pentene  
1129 C5H11 2-Methylbut-2-yl radical c4348350  
1130 C5H12 Butane, 2-methyl- buta2  
1131 Si(CH3)4 tetramethylsilane tms  
1132 N2O3 Dinitrogen trioxide n2o3  
1133 CH2N4 1H-Tetrazole 1htz  
1134 C3H3N2 imidazolyl radical im  
1135 C3H3N2- imidizolyl anion im-  
1136 C2H3N3 1H-1,2,4-Triazole c288880  
1137 C4H4N pyrrolide radical c4h4n  
1138 C4H4N- pyrrolide anion c4h4n-  
1139 C3H4N2 2H-Imidazole imid2h  
1140 C3H4N2 4H-Imidazole imid4h  
1141 C4H5N (E)-2-Butenenitrile c627269  
1142 C4H5N (Z)-2-Butenenitrile c1190767  
1143 C4H5N 2H-pyrrole pyrrole2  
1144 C4H5N 3H-pyrrole pyrrole3  
1145 CH2CHCH2CN Allylcyanide ch2chch2cn  
1146 C4H6N+ pyrrole, alpha-protonated appyr  
1147 C4H6N+ pyrrole, beta-protonated bppyr  
1148 C4H6N+ pyrrole, protonated ppyr  
1149 C3H6N2 3-Aminopropionitrile c151188  
1150 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1151 CH3CH2CH2CN Butanenitrile c109740  
1152 C5H8 Bicyclo[2.1.0]pentane c185944  
1153 C4H9N Cyclobutylamine cbam  
1154 C3H10N2 1,2-Diaminopropane diampr12  
1155 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1156 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1157 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1158 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1159 NH(C2H5)2 diethylamine dea  
1160 NC4H12+ tetramethyl ammonium cation nc4h12+  
1161 C3O2+ Carbon suboxide cation c3o2+  
1162 B2O3 diboron trioxide b2o3  
1163 MgCO3 Magnesium Carbonate mgco3  
1164 BeCO3 Beryllium Carbonate beco3  
1165 CaCO3 Calcium Carbonate caco3  
1166 ONONO Nitrosyl nitrite onono  
1167 HOONO2 peroxy nitric acid hoono2  
1168 HSO4- bisulfate anion hso4-  
1169 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1170 C3H2O2 Propiolic acid c3h2o2  
1171 CHOCOOH oxo acetic acid oaa  
1172 CHOOCHO diformyl ether choocho  
1173 H2SeO4 Selenic acid h2seo4  
1174 C3H3NO Oxazole oxazole  
1175 C3H3NS Thiazole thiazole  
1176 CH3C(O)OO acetyl peroxy radical ch3coo2  
1177 H3PO4 Phosphoric Acid h3po4  
1178 C4H4O+ Furan cation furan+  
1179 CH3COCCH 3-butyn-2-one c1423605  
1180 C4H4Se selenophene c4h4se  
1181 C3H4O2 Methyl glyoxal megly  
1182 HOCHCCHOH allenediol aldiol  
1183 C2H4O3 1,2,3-trioxolane c2h4o3  
1184 C2H4O3 trioxolane124 triox  
1185 HOCH2COOH Hydroxyacetic acid hac  
1186 CH3OCH2CN Methoxyacetonitrile c1738369  
1187 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1188 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1189 CH2CHSCHCH2 Divinyl sulfide divis  
1190 C2H6N2O Urea, methyl- c598505  
1191 C3H6O2 1,3-Dioxolane dioxolane  
1192 CH3CH2COOH Propanoic Acid propanoic  
1193 HCOOC2H5 Ethyl formate faee  
1194 C3H7NO dimethylformamide dmf  
1195 C3H7NO Propanamide propanam  
1196 C2H3OC2H5 Ethene, ethoxy- c109922  
1197 C4H8O Furan, tetrahydro- thf  
1198 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1199 CH3COCH2CH3 2-Butanone buta2one  
1200 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1201 CHOCH2CH2CH3 Butanal butanal  
1202 C4H8S Thiophene, tetrahydro- tht  
1203 C3H8O2 1,3-Propanediol c504632  
1204 C3H8O2 Methane, dimethoxy- c109875  
1205 C3H8O2 Propylene glycol c57556  
1206 C4H10O 1-Butanol butanol1  
1207 C4H10O 1-Propanol, 2-methyl- c78831  
1208 C4H10O 2-Butanol, (.+/-.)- butanol2  
1209 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1210 C4H10O Ethoxy ethane etoet  
1211 C4H10O Methyl propyl ether meopr  
1212 C4H10O Propane, 2-methoxy- c598538  
1213 C4H10O+ 1-Butanol cation butanol1+  
1214 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1215 C2H5SC2H5 Diethyl sulfide etset  
1216 C4H9SH 1-Butanethiol bush  
1217 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1218 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1219 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1220 ClONO2 Chlorine nitrate clono2  
1221 BrONO2 Bromine nitrate brono2  
1222 TiCl4 Titanium tetrachloride ticl4  
1223 SO2F2 Sulfuryl fluoride so2f2  
1224 TiF4 Titanium tetrafluoride tif4  
1225 CF3Br Bromotrifluoromethane cf3br  
1226 GeF4 Germanium tetrafluoride gef4  
1227 CCl4+ Carbon tetrachloride cation ccl4+  
1228 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1229 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1230 CF3I trifluoroiodomethane cf3i  
1231 CBrCl3 Methane, bromotrichloro- cbrcl3  
1232 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1233 GeCl4 Germanium Tetrachloride gecl4  
1234 CBr2ClF dibromochlorofluoromethane cbr2clf  
1235 CBr2Cl2 dibromodichloromethane cbr2cl2  
1236 CCl3I trichloroiodomethane ccl3i  
1237 CFBr3 fluorotribromomethane cfbr3  
1238 CFClBrI fluorochlorobromoiodomethane cfclbri  
1239 CBr3Cl tribromochloromethane cbr3cl  
1240 CF2I2 difluorodiiodomethane cf2i2  
1241 CCl2I2 dichlorodiiodomethane ccl2i2  
1242 SiBr4 Silicon tetrabromide sibr4  
1243 CBr3I tribromoiododmethane cbr3i  
1244 GeBr4 Germanium tetrabromide gebr4  
1245 CI4 tetraiodomethane ci4  
1246 SiI4 silicon tetraiodide sii4  
1247 ClOF3 Chlorine trifluoride oxide clof3  
1248 SeF4 Selenium tetrafluoride sef4  
1249 SCl4 Sulfur tetrachloride scl4  
1250 C2HF3+ Trifluoroethylene cation c2hf3+  
1251 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1252 HClO4 perchloric acid hclo4  
1253 CF3OH trifluoromethanol cf3oh  
1254 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1255 CHClCCHCl 1,3-dichloroallene chclcchcl  
1256 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1257 CHCl2CHO dichloroacetaldehyde chcl2cho  
1258 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1259 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1260 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1261 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1262 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1263 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1264 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1265 NH3BCl3 Amminetrichloroboron nh3bcl3  
1266 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1267 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1268 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1269 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1270 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1271 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1272 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1273 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1274 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1275 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1276 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1277 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1278 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1279 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1280 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1281 C4H9F 1-fluorobutane butaf1  
1282 CH3CHFCH2CH3 2-fluorobutane butaf2  
1283 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1284 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1285 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1286 XeF4 Xenon tetrafluoride xef4  
1287 C2H2N2O Furazan furazan  
1288 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1289 NH3BF3 Amminetrifluoroboron nh3bf3  
1290 C6H2 hexatriyne c6h2  
1291 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1292 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1293 C6H4 Benzyne benzyne  
1294 C6H5 phenyl phenyl  
1295 C6H5- phenyl anion phenyl-  
1296 C6H6 Prismane prismane  
1297 C6H6 1,2,4,5-Hexatetraene ht1245  
1298 C6H6 2,4-Hexadiyne hexadiyne  
1299 C6H6 3,4-Dimethylenecyclobutene cb34m  
1300 C6H6 Benzene benzene  
1301 C6H6 Benzvalene bv  
1302 C6H6 Dewar Benzene dewar  
1303 C6H6 Hexa-1,5-diene-3-yne hdy153  
1304 C6H6 Trimethylenecycopropane tmcp  
1305 C6H6+ Benzene cation c6h6+  
1306 C6H7+ benzene, protonated c6h7+  
1307 C6H8 (E)-hexa-1,3,5-triene c821078  
1308 C6H8 (E)-hexa-2,3,4-triene c59660650  
1309 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1310 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1311 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1312 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1313 C6H8 3-Methylenecyclopentene c930267  
1314 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1315 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1316 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1317 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1318 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1319 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1320 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1321 C6H10 1,5-Hexadiene c592427  
1322 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1323 C6H10 1-Hexyne hexyne1  
1324 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1325 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1326 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1327 C6H10 2-Hexyne c764352  
1328 C6H10 3-Hexyne hexyne3  
1329 C6H10 cyclohexene cyclohexene  
1330 C6H10 Cyclopentene, 1-methyl- c693890  
1331 C6H10 Cyclopentene, 3-methyl- c1120623  
1332 C6H10 Cyclopentene, 4-methyl- c1759815  
1333 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1334 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1335 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1336 C6H12 (E)-2-Hexene e2hexene  
1337 C6H12 (E)-3-methylpent-2-ene c616126  
1338 C6H12 (E)-hex-3-ene e3hexene  
1339 C6H12 (Z)-3-methylpent-2-ene c922623  
1340 C6H12 (Z)-hex-2-ene z2hexene  
1341 C6H12 (Z)-hex-3-ene z3hexene  
1342 C6H12 2,3-dimethylbut-1-ene c563780  
1343 C6H12 2,3-dimethyl-but-2-ene tmeet  
1344 C6H12 3-methylenepentane c760214  
1345 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1346 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1347 C6H12 Cyclohexane cyclohexane  
1348 C6H12 Cyclopentane, methyl- c96377  
1349 C6H12 Ethylcyclobutane c4806615  
1350 C6H12 hex-1-ene hexene1  
1351 C6H14 Butane, 2,2-dimethyl- buta22  
1352 C6H14 Butane, 2,3-dimethyl- buta23  
1353 C6H14 Hexane hexane  
1354 C6H14 Pentane, 2-methyl- penta2  
1355 C6H14 Pentane, 3-methyl- penta3  
1356 C4N2 2-Butynedinitrile c4n2  
1357 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1358 C4H2N2 Fumaronitrile c4h2n2  
1359 C2H2N4 sym-tetrazine ttz  
1360 C3H3N3 1,3,5-Triazine triazine135  
1361 CH3N5 5-Aminotetrazole c4418615  
1362 C4H4N2 1,3-Diazine diazine13  
1363 C4H4N2 Pyrazine pyrazine  
1364 C4H4N2 Pyridazine pyridazine  
1365 C4H4N2 Succinonitrile c110612  
1366 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1367 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1368 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1369 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1370 C5H5N E-2,4-pentadienenitrile bdcn  
1371 C5H5N Pyridine pyridine  
1372 B3N3H6 borazine borazine  
1373 C6H6 Fulvene fulvene  
1374 C5H6N+ Pyridinium c5h6n  
1375 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1376 C5H7N (E)-2-Pentenenitrile c26294984  
1377 C5H7N (E)-3-Pentenenitrile c16529661  
1378 C5H7N (Z)-2-Pentenenitrile c25899507  
1379 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1380 C5H7N Cyclobutanecarbonitrile c4426113  
1381 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1382 C5H9N Butanenitrile, 2-methyl- c18936179  
1383 C5H9N Pentanenitrile c110598  
1384 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1385 C6H10 Bicyclo[3.1.0]hexane c285585  
1386 C5H11N Cyclopentanamine cypentam  
1387 C5H11N Piperidine piper  
1388 C4H12N2 1,2-Butanediamine c4426486  
1389 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1390 Li2CO3 Lithium Carbonate li2co3  
1391 Na2CO3 Sodium Carbonate na2co3  
1392 C2O4-- oxalate anion c2o4  
1393 MgSO4 Magnesium Sulfate mgso4  
1394 N2O4 Dinitrogen tetroxide n2o4  
1395 C3H2O3 vinylene carbonate vica  
1396 C2H2O4 Oxalic Acid oxalic  
1397 C2H3NO3 Oxamic acid oxamic  
1398 C4H4O2 2(5H)-Furanone furanone  
1399 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1400 C2H4N2O2 Oxalamide oxalamide  
1401 C2H4N2S2 Ethanedithioamide c79403  
1402 C2H4CO3 Ethylene carbonate etco3  
1403 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1404 C3H4S3 1,3-Dithiolane-2-thione c822388  
1405 C2H4O4 Formic acid dimer fadimer  
1406 C4H5NO 3-Methylisoxazole isox3m  
1407 C4H5NO Isoxazole, 5-methyl- c5765446  
1408 C4H5NS 4-Methylthiazole c693958  
1409 C2H5NO3 Nitric acid, ethyl ester c625581  
1410 C5H6O 2H-Pyran pyran2  
1411 C5H6O 2-methylfuran furan2m  
1412 C5H6O 3-Methylfuran furan3m  
1413 C5H6O Pentadienal pdal  
1414 C5H6S Thiophene, 2-methyl- c554143  
1415 C5H6S Thiophene, 3-methyl- c616444  
1416 C4H6O2 γ–Butyrolactone c96480  
1417 C4H6O2 2,3-Butanedione c431038  
1418 C4H6O2 2-Propenoic acid, methyl ester c96333  
1419 C4H6O2 Crotonic Acid crot  
1420 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1421 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1422 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1423 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1424 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1425 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1426 C4H6OS Vinyl sulfoxide c1115157  
1427 CH6N4S Carbonothioic dihydrazide thiacarb  
1428 C2H6N2O2 (E)-Azodioxymethane c37765154  
1429 C2H6N2O2 Dimethylnitroamine c4164287  
1430 C3H6O3 1,3,5-Trioxane trioxane  
1431 C3H6S3 1,3,5-Trithiane c3h6s3  
1432 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1433 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1434 C4H7NO 2-Pyrrolidinone c616455  
1435 C4H7NO Ethoxyacetonitrile etoaccn  
1436 C4H7NO Methacrylamide c79390  
1437 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1438 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1439 C3H7ONO Propyl nitrite prono  
1440 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1441 CH3CH(NH2)COOH Alanine alanine  
1442 CH3NHCH2COOH Sarcosine sarcosine  
1443 NH2CH2CH2COOH β–alanine betaalanine  
1444 NH2COOC2H5 Urethane urethane  
1445 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1446 C5H8O Cyclopentanone c120923  
1447 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1448 C5H8O Methyl cyclopropyl ketone c765435  
1449 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1450 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1451 NH2CONHC2H5 Urea, ethyl- c625525  
1452 C4H8O2 1,3-Dioxane dioxan13  
1453 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1454 C4H8O2 1,4-Dioxane dioxan14  
1455 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1456 C4H8O2 Ethyl acetate c141786  
1457 C4H8OS s-Ethyl thioacetate c625605  
1458 C3H8O3 1,2,3-Propanetriol glycerin  
1459 C3H8O2S (Methylsulfonyl)ethane c594434  
1460 C4H9NO Butanamide c541355  
1461 C4H9NO Propanamide, 2-methyl- c563837  
1462 C5H10O 2-Butanone, 3-methyl- c563804  
1463 C5H10O 2H-Pyran, tetrahydro- c142687  
1464 C5H10O 2-methylbutyraldehyde 2meba  
1465 C5H10O 2-Pentanone mpk  
1466 C5H10O 3-Pentanone dek  
1467 C5H10O Cyclopentanol c96413  
1468 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1469 C5H10O Pentanal pal  
1470 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1471 C5H10S 3-Ethylthio-1-propene c5296628  
1472 C5H10S Cyclopentanethiol c1679078  
1473 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1474 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1475 C4H10O2 1,1-Dimethoxyethane c534156  
1476 C4H10O2 1,3-Butanediol budiol13  
1477 C4H10O2 1,4-Butanediol budiol14  
1478 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1479 C4H10OS Diethyl sulfoxide c70291  
1480 C4H10S2 1,4-Butanedithiol budisl14  
1481 C4H11NO Diethylhydroxylamine c3710847  
1482 C5H12O 1-Butanol, 2-methyl- c137326  
1483 C5H12O 1-Butanol, 3-methyl- c123513  
1484 C5H12O 1-Pentanol pentanol1  
1485 C5H12O 2-Butanol, 3-methyl- c598754  
1486 C5H12O 2-Pentanol peol2  
1487 C5H12O 3-Pentanol pentan3ol  
1488 C5H12O Butane, 1-methoxy- meobu  
1489 C5H12O Propane, 1-ethoxy- proet  
1490 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1491 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1492 C5H12S 1-Butanethiol, 3-methyl- c541311  
1493 C5H12S 1-Pentanethiol c110667  
1494 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1495 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1496 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1497 C5H12S Butane, 1-(methylthio)- c628295  
1498 C5H12S Ethyl propyl sulfide c4110503  
1499 C5H12S Propane, 2-(ethylthio)- c5145993  
1500 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1501 C4F2 difluorobutadiyne c4f2  
1502 ClCOClCO Oxalyl chloride oxcl  
1503 CF3CN Acetonitrile, trifluoro- cf3cn  
1504 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1505 B2F4 Diboron tetrafluoride b2f4  
1506 B2Cl4 Diboron tetrachloride b2cl4  
1507 C2F4 Tetrafluoroethylene c2f4  
1508 C2F4+ Tetrafluoroethylene cation c2f4+  
1509 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1510 CF2CCl2 difluorodichloroethylene cf2ccl2  
1511 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1512 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1513 C2FCl3 fluorotrichloroethene c2fcl3  
1514 C2Cl4 Tetrachloroethylene c2cl4  
1515 C2Br4 tetrabromoethene c2br4  
1516 CF3OF Trifluoromethylhypofluorite cf3of  
1517 SiF5- silicon pentafluoride anion sif5-  
1518 SOF4 Sulfur tetrafluoride oxide sof4  
1519 PF5 Phosphorus pentafluoride pf5  
1520 AsF5 Arsenic pentafluoride asf5  
1521 PCl5 Phosphorus pentachloride pcl5  
1522 SF5 Sulfur pentafluoride sf5  
1523 SF5+ pentafluoro sulfur cation sf5+  
1524 SbCl5 Antimony pentachloride sbcl5  
1525 BrF5 bromine pentafluoride brf5  
1526 ClF5 chlorinepentafluoride clf5  
1527 IF5 pentafluoroiodine if5  
1528 CF3CHO trifluoroacetaldehyde cf3cho  
1529 CCl3CHO trichloroacetaldehyde ccl3cho  
1530 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1531 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1532 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1533 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1534 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1535 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1536 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1537 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1538 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1539 CF3COOH trifluoroacetic acid cf3cooh  
1540 C4H3ClO Furan, 2-chloro fur2cl  
1541 C4H3ClO Furan,3-chloro fur3cl  
1542 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1543 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1544 C4H8Cl2 1,4-Dichlorobutane c110565  
1545 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1546 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1547 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1548 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1549 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1550 C5H11Cl Pentane, 1-chloro- pencl1  
1551 C4H8O2 Butanoic acid bua  
1552 C6H5CH2 benzyl radical benzyl  
1553 C7H7 cycloheptatrienyl radical c7h7  
1554 C7H7+ cycloheptatrienyl cation c7h7+  
1555 C6H5CH3 toluene toluene  
1556 C7H8 cycloheptatriene cht  
1557 C7H8 Norbornadiene norbor  
1558 C7H8 Quadricyclane qucy  
1559 C7H12 Norbornane nor  
1560 C7H14 cycloheptane c7h14  
1561 C7H16 2-methylhexane 2mhex  
1562 C7H16 3-methylhexane hex3m  
1563 C7H16 heptane heptane  
1564 CH(CN)3 tricyanomethane mecn3  
1565 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1566 C6H7N 2-Methylpyridine mp  
1567 C6H5NH2 aniline aniline  
1568 C6H13N 2-Methylpiperidine pip2m  
1569 C6H13N cyclohexanamine cham  
1570 C6H15N triethylamine tea  
1571 N2O5 Dinitrogen pentoxide n2o5  
1572 C4H2O3 Maleic Anhydride malan  
1573 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1574 C5H4O2 furfural furfural  
1575 C6H5O phenoxy radical phenoxy  
1576 C5H5NO 2(1H)-Pyridinone c72762006  
1577 C5H5NO 2(3H)-Pyridinone c9000048  
1578 C5H5NO 2(5H)-Pyridinone c9000037  
1579 C5H5NO 2-Pyridinol c109104  
1580 C5H5NO 3(2H)-Pyridinone c9000004  
1581 C5H5NO 3(4H)-Pyridinone c9000026  
1582 C5H5NO 3(6H)-Pyridinone c9000015  
1583 C5H5NO 3-Pyridinol c109002  
1584 C5H5NO 4(1H)-Pryidinone c9000060  
1585 C5H5NO 4(3H)-Pryidinone c9000059  
1586 C5H5NO 4-Pyridinol c626642  
1587 C6H5OH phenol phenol  
1588 C6H6O 2,4-Cyclohexadienone c24599573  
1589 C6H6O 2,5-Cyclohexadienone c5664335  
1590 C6H5SH Benzenethiol phsh  
1591 HO2CCHNH2CH2OH Serine serine  
1592 C5H8O2 Acetylacetone acac  
1593 C4H8O2S Sulfolane sulfolane  
1594 C7H10 Norbornene norbornene  
1595 CH(C2H3)3 trivinyl methane tvm  
1596 C6H10O cyclohexanone chexo  
1597 C6H12O hexanal c6h12o  
1598 C6H12O Oxepane oxepane  
1599 C3H7OC3H7 di-n-propyl ether propr  
1600 F2CCCF2 tetrafluoroallene pfa  
1601 CF3COO- trifluoro acetate anion cf3coo-  
1602 CF3COF trifluoroacetyl fluoride cf3cof  
1603 CF3COCl trifluoroacetyl chloride cf3cocl  
1604 PF6 Hexafluorophosphate neutral pf6  
1605 PF6- Hexafluorophosphate ion pf6-  
1606 SF6 Sulfur Hexafluoride sf6  
1607 SeF6 Selenium hexafluoride sef6  
1608 SF5Cl sulfur chloropentafluoride sf5cl  
1609 CF3CHF2 pentafluoroethane cf3chf2  
1610 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1611 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1612 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1613 CCl3CHCl2 pentachloroethane ccl3chcl2  
1614 C6H5F Fluorobenzene bzf  
1615 C6H5Cl chlorobenzene bzcl  
1616 C6H5Br bromobenzene bzbr  
1617 C8H6 Calicene calicene  
1618 C6H5CCH phenylacetylene phac  
1619 C8H6 benzocyclobutadiene bcbd  
1620 C8H6 Pentalene pentalene  
1621 C6H5CHCH2 Styrene styrene  
1622 C8H8 cubane cubane  
1623 C8H8 cyclooctatetraene cot  
1624 C6H5CH2CH3 Ethylbenzene etbz  
1625 CH3C6H4CH3 meta-xylene mxylene  
1626 CH3C6H4CH3 paraxylene pxylene  
1627 C8H14 Bicyclo[2.2.2]octane bico222  
1628 C8H16 cyclooctane cyclooct  
1629 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1630 C8H18 Octane c8h18  
1631 C6H5CN phenyl cyanide phcn  
1632 C6H12N2 Triethylenediamine ted  
1633 C4O4-- squarate dianion c4o4--  
1634 S4N4 Tetrasulfur tetranitride s4n4  
1635 S8 Octasulfur s8  
1636 C6H4O2 parabenzoquinone pbq  
1637 C4H4N2O2 Uracil uracil  
1638 C6H5CHO benzaldehyde benzal  
1639 C6H5OCH3 Anisole anisole  
1640 C5H9NO2 Proline proline  
1641 C6H12O2 Methyl pivalate c598981  
1642 C6H12O2 Hexanoic acid hexa  
1643 C4F4 tetrafluorcyclobutadiene c4f4  
1644 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1645 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1646 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1647 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1648 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1649 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1650 C2F6 hexafluoroethane c2f6  
1651 C2Cl6 hexachloroethane c2cl6  
1652 IF7 Iodine heptafluoride if7  
1653 C6H4F2 metadifluorobenzene mdfb  
1654 C6H4F2 orthodifluorobenzene odfb  
1655 C6H4F2 1,4-difluorobenzene pdfb  
1656 C6H4Cl2 1,2-dichlorobenzene dcb12  
1657 C6H4Cl2 1,3-dichlorobenzene dcb13  
1658 C6H4Cl2 1,4-dichlorobenzene dcb14  
1659 C6H5NO nitrosobenzene bzno  
1660 C9H8 Indene indene  
1661 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1662 C9H12 n-propyl benzene prbz  
1663 C9H20 Nonane nonane  
1664 C(CN)4 tetracyanomethane c5n4  
1665 C5H4N4 purine purine  
1666 C8H7N Indole indole  
1667 C3H3N3O3 cyanuric acid cyanuric  
1668 C6H5NO2 Nitrobenzene c6h5no2  
1669 C6H5COOH benzoic acid benzo  
1670 CH3COC6H5 acetophenone acph  
1671 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1672 C3F6 hexafluoropropene c3f6  
1673 C6H3F3 Benzene trifluoride 123 bzf3a  
1674 C8H18O 1-Octanol octanol  
1675 C10H8 Azulene azu  
1676 C10H8 naphthalene naph  
1677 C10H10 bullvalene bullv  
1678 C10H16 adamantane adamantane  
1679 C6N4 Tetracyanoethylene tcne  
1680 C6N4- tetracyanoethylene anion tcne-  
1681 C10H22 Decane decane  
1682 C4F6 perfluorobutadiene c4f6  
1683 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1684 C3F8 perfluoropropane c3f8  
1685 Fe(CO)5 Iron pentacarbonyl ipc  
1686 Fe(C5H5)2 ferrocene fecp2  
1687 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1688 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1689 C12H8 Acenaphthylene acenaph  
1690 C12H8 biphenylene biph  
1691 C12H10 biphenyl biphenyl  
1692 C12H10 Heptalene heptalene  
1693 C6H12O6 Inositol inositol  
1694 C6F6 hexafluorobenzene c6f6  
1695 S2F10 disulphur decafluoride s2f10  
1696 C13H10 Fluorene fluorene  
1697 C14H10 Anthracene anth  
1698 C14H10 Phenanthrene phenanthrene  
1699 C14H14 Bibenzyl bibenzyl  
1700 C12H10N2 azobenzene azobenzene  
1701 C6H5COC6H5 benzophenone benzophenone  
1702 C16H10 Pyrene pyrene  
1703 C18H12 Tetracene tetracene  
1704 C19H16 Triphenylmethane tpm  
1705 C24H12 Coronene coronene  
1706 C60 Buckminsterfullerene c60