Existing Molecules

Selected Molecules (1-100 of 162,632)

Molid  Formula  Iupac  Atoms  Charge  Curation  Details  Save 
8 C4H10 2-Methylpropane 14 0 ATB ΔGHyd
10 CH4S METHANETHIOL 6 0 ATB ΔGHyd
12 C3H8S methylsulfanylethane 12 0 ATB ΔGHyd
13 C4H6N2 - 12 0 ATB
14 C9H9N 3-Methyl-1H-indole 19 0 ATB ΔGHyd
15 C4H11N butan-1-amine 16 0 ATB ΔGHyd
16 C4H11N3 2-propylguanidine 18 0 ATB
17 C7H8O 4-Methylphenol 16 0 ATB ΔGHyd
18 C3H8 PROPANE 11 0 ATB ΔGHyd
19 C3H7NO Propanamide 12 0 ATB ΔGHyd
20 C3H6O2 Propanoic acid 11 0 ATB ΔGHyd
21 C7H8 methylbenzene 15 0 ATB ΔGHyd
22 C2H4O2 acetic acid 8 0 ATB ΔGHyd
27 C5H9O10P2 - 26 -3 ATB
33 C2H5NO ACETAMIDE 9 0 ATB ΔGHyd
34 C14H14FN3O2S 5-(4-fluorophenyl)-N ... 35 0 ATB
37 C5H11NO3S - 21 0 ATB
38 C8H16N2O3S - 30 0 ATB
43 O2 Molecular oxygen 2 0 ATB
49 C10H12N5O11P2 - 40 -3 ATB
51 C10H12N5O13P3 - 43 -4 ATB
58 C27H38N2O4 (2R)-2-(3,4-dimethox ... 71 0 ATB
63 C8H10O 2-PHENYLETHANOL 19 0 ATB ΔGHyd
64 C11H10NO3 - 25 -1 ATB
68 C10H10O6 (1S,4R,5R,7S)-4-hydr ... 26 -2 ATB
76 C10H12N5O14P3 - 44 -4 ATB
87 C10H12N5O10P2 - 39 -3 ATB
91 C9H4Cl2N - 16 1 ATB
92 C9H10Cl2N - 22 1 ATB
98 C7H12NO2 - 22 -1 ATB
100 C5H9O13P3 - 30 -4 ATB
102 C2H6O10P3 - 21 -3 ATB
103 C9H11N5O3 (2R,3R,4R)-2-(6-amin ... 28 0 ATB
104 C9H11N5O4 - 29 0 ATB
113 C3H8O Propan-2-ol 12 0 ATB ΔGHyd
118 C10H12BrN5O4 (2R,3R,4S,5R)-2-(6-a ... 32 0 ATB
121 C5H4BrN5 - 15 0 ATB
122 C6H11NO2 Piperidine-4-carboxy ... 20 0 ATB
123 C6H12N2O Piperidine-4-carboxa ... 21 0 ATB ΔGHyd
125 C4H3BrN2O2 5-bromo-1H-pyrimidin ... 12 0 ATB ΔGHyd
126 C4H2Br2N2O3 5,5-dibromo-1,3-diaz ... 13 0 ATB
127 C7H4ClNOS 5-chloro-3H-1,3-benz ... 15 0 ATB
128 C9H13N2O2S - 27 1 ATB
139 C4H5N3 - 12 0 ATB
140 C4H6N4 - 14 0 ATB
144 C7H9N 3-Methylaniline 17 0 ATB
146 C8H8N2 - 18 0 ATB
152 C6H6O2 benzene-1,3-diol 14 0 ATB
153 C7H9N 4-Methylaniline 17 0 ATB ΔGHyd
158 C8H9N3 - 20 0 ATB
161 C5H4N4S - 14 0 ATB
163 None - 13 0 Manual*
164 None - 27 1 Manual*
165 None - 26 0 Manual*
166 None - 17 0 Manual*
167 None - 14 -1 Manual*
168 None - 15 0 Manual*
169 None - 13 0 Manual*
170 None - 14 0 Manual*
171 None - 14 0 Manual*
172 None - 14 0 Manual*
173 None - 20 0 Manual*
174 None - 19 -1 Manual*
175 None - 19 0 Manual*
176 None - 20 0 Manual*
177 None - 20 0 Manual*
178 None - 21 1 Manual*
179 C5H5N5 - 15 0 ATB
181 C5H5NO - 12 0 ATB
182 C4H5N3 - 12 0 ATB
183 C7H7N3 1H-Indazol-6-amine 17 0 ATB
186 C7H5ClN2 - 15 0 ATB
188 C7H9N2 - 18 1 ATB
193 C6H14NO - 22 1 ATB
194 C6H16N2 - 24 2 ATB
195 C5H12NO - 19 1 ATB
197 C7H14NO2 - 24 1 ATB
199 C3H7NO2S - 14 0 ATB
203 None - 22 0 Manual*
204 None - 22 0 Manual*
205 None - 24 0 Manual*
206 None - 25 1 Manual*
207 None - 20 0 Manual*
208 None - 23 0 Manual*
209 C6H13N2O - 22 1 ATB
210 None - 17 0 Manual*
211 None - 14 0 Manual*
212 None - 17 0 Manual*
213 None - 27 0 Manual*
214 None - 24 0 Manual*
215 None - 19 0 Manual*
216 None - 13 0 Manual*
217 C8H10O2 (2-methoxyphenyl)met ... 20 0 ATB
218 C9H6ClNO - 18 0 ATB
219 C7H7FO2 4-Fluoro-2-methoxyph ... 17 0 ATB
220 C6H9NS - 17 0 ATB
221 C5H6N2O2 5-methyl-1H-pyrimidi ... 15 0 ATB
222 C10H8ClNO 1-(6-chloroindol-1-y ... 21 0 ATB
224 C8H6ClNO 6-chloro-1,3-dihydro ... 17 0 ATB
225 C3H4N2S - 10 0 ATB
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