Belfield, S. J.; Cronin, M. T. D.; Enoch, S. J.; Firman, J. W. Guidance for Good Practice in the Application of Machine Learning in Development of Toxicological Quantitative Structure-Activity Relationships (QSARs). PLOS ONE, 2023, 18, e0282924.

1994 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)] i

ID	Name	pIGC50	Details
1	tetrachloromethane	-0.16	View
2	bromo(nitro)methane	1.64	View
3	methanol	-2.72	View
4	formohydrazide	-0.87	View
5	thiourea	-1.32	View
6	trichloroacetonitrile	1.88	View
7	2,2-dibromoacetonitrile	2.4	View
8	2,2-dichloroacetonitrile	0.97	View
9	2-bromoacetonitrile	2.23	View
10	2-chloroacetonitrile	0.85	View
11	2-iodoacetonitrile	2.47	View
12	trichloroacetamide	-0.29	View
13	acetonitrile	-2.28	View
14	2,2,2-tribromoethan-1-ol	0.11	View
15	2,2,2-trichloroethan-1-ol	-0.46	View
16	2,2-dichloroacetamide	-0.98	View
17	2,2-dichloroethan-1-ol	-0.99	View
18	2-bromoacetamide	1.52	View
19	2-chloroacetamide	0.04	View
20	2-iodoacetamide	1.85	View
21	methyl formate	-1.5	View
22	2-bromoethan-1-ol	-0.85	View
23	2-chloroethan-1-ol	-1.42	View
24	N-ethylidenehydroxylamine	-1.25	View
25	acetamide	-2.32	View
26	methyl carbamate	-1.97	View
27	ethanol	-2.24	View
28	acetohydrazide	-1.38	View
29	methylthiourea	-1.37	View
30	methanesulfinylmethane	-2.47	View
31	methanesulfonylmethane	-2.2	View
32	2-aminoethan-1-ol	-1.01	View
33	2,4,5-tribromo-1H-imidazole	1.43	View
34	propanedinitrile	0.22	View
35	prop-2-ynoic acid	-0.29	View
36	2-bromopropanenitrile	0.63	View
37	3-bromopropanenitrile	-0.5	View
38	2-chloropropanenitrile	-0.86	View
39	3-chloropropanenitrile	-1.06	View
40	1H-imidazole	-1	View
41	1H-pyrazole	-1.53	View
42	prop-2-enal	1.65	View
43	prop-2-yn-1-ol	-0.91	View
44	1,1-dichloropropan-2-one	0.64	View
45	1,3-dichloropropan-2-one	2.05	View
46	oxetan-2-one	-0.13	View
47	prop-2-enoic acid	0.16	View
48	propanedioic acid	-0.71	View
49	3-bromoprop-1-ene	0.57	View
50	3-chloroprop-1-ene	-0.94	View
51	3-iodoprop-1-ene	0.8	View
52	prop-2-yn-1-amine	-0.83	View
53	propanenitrile	-1.97	View
54	prop-2-enamide	-0.8	View
55	2,3-dibromopropanamide	1.91	View
56	3-bromopropanoic acid	-0.04	View
57	methyl 2-bromoacetate	1.96	View
58	3-chloropropanoic acid	-0.33	View
59	methyl 2-chloroacetate	0.89	View
60	isothiocyanatoethane	1.63	View
61	prop-2-en-1-ol	-1.92	View
62	propan-2-one	-2.27	View
63	propanal	-0.63	View
64	1,3-dibromopropan-2-ol	0.57	View
65	2,3-dibromopropan-1-ol	-0.49	View
66	1,3-dichloropropan-2-ol	-0.79	View
67	2-bromopropanamide	0	View
68	2-chloropropanamide	-1.44	View
69	3-chloropropanamide	-1.59	View
70	methyl acetate	-1.92	View
71	propanoic acid	-0.51	View
72	2-bromo-2-nitropropane	1.85	View
73	propanediamide	-2.15	View
74	methanesulfonylethene	0.99	View
75	1-iodopropane	-0.39	View
76	1-bromopropan-2-ol	-1.19	View
77	3-bromopropan-1-ol	-0.93	View
78	1-chloropropan-2-ol	-1.49	View
79	3-chloropropan-1-ol	-1.4	View
80	N-(propan-2-ylidene)hydroxylamine	-1.25	View
81	N-methylacetamide	-1.98	View
82	propanamide	-2.09	View
83	3-bromopropane-1,2-diol	-1.21	View
84	3-chloropropane-1,2-diol	-1.63	View
85	1-nitropropane	-0.99	View
86	ethyl carbamate	-1.65	View
87	propan-1-ol	-1.8	View
88	propan-2-ol	-1.94	View
89	propane-1,2-diol	-2.51	View
90	1,3-dimethylthiourea	-1.11	View
91	ethylthiourea	-1.13	View
92	propan-1-amine	-0.78	View
93	propan-2-amine	-0.87	View
94	1-aminopropan-2-ol	-0.89	View
95	2-(methylamino)ethan-1-ol	-0.76	View
96	2-aminopropan-1-ol	-0.82	View
97	3-aminopropan-1-ol	-0.81	View
98	propane-1,2-diamine	-0.56	View
99	propane-1,3-diamine	-0.7	View
100	4,6-dichloro-5-nitropyrimidine	2.12	View
101	2-bromo-5-chlorothiophene	0.75	View
102	3-bromo-2-chlorothiophene	0.73	View
103	2-bromo-5-nitrothiophene	1.41	View
104	3-bromofuran	-0.48	View
105	2-nitrofuran	0.74	View
106	2-bromothiophene	0.09	View
107	3-bromothiophene	-0.04	View
108	2-chlorothiophene	-0.59	View
109	3-isothiocyanatoprop-1-yne	2.24	View
110	2-nitrothiophene	0.51	View
111	butanedinitrile	-1.82	View
112	pyrazine	-1.85	View
113	pyridazine	-1.41	View
114	pyrimidine	-1.75	View
115	but-3-yn-2-one	1.69	View
116	furan	-1.65	View
117	methyl prop-2-ynoate	1.77	View
118	1,4-dibromobutane-2,3-dione	1.76	View
119	5-nitropyrimidin-2-amine	-0.43	View
120	thiophene	-1.44	View
121	1-bromobut-2-yne	1.28	View
122	1H-pyrrole	-1.1	View
123	2-methylprop-2-enenitrile	-1.65	View
124	but-3-enenitrile	-1.48	View
125	methyl 2-cyanoacetate	-1.34	View
126	3-isothiocyanatoprop-1-ene	1.96	View
127	isothiocyanatocyclopropane	1.85	View
128	1,4-dibromobut-2-ene	1.92	View
129	(2E)-1,4-dichlorobut-2-ene	0.77	View
130	(2Z)-1,4-dichlorobut-2-ene	1.02	View
131	4-bromobutanenitrile	-0.67	View
132	4-chlorobutanenitrile	-0.93	View
133	2-methyl-1H-imidazole	-0.91	View
134	(2E)-but-2-enal	0.88	View
135	2-methylprop-2-enal	0.67	View
136	but-2-yn-1-ol	-1.11	View
137	but-3-en-2-one	1.5	View
138	but-3-yn-1-ol	-1.84	View
139	but-3-yn-2-ol	-0.4	View
140	(2E)-but-2-enoic acid	-0.54	View
141	4-methyloxetan-2-one	-0.76	View
142	but-2-yne-1,4-diol	-1.54	View
143	but-3-enoic acid	-0.64	View
144	butane-2,3-dione	-0.23	View
145	ethenyl acetate	-0.86	View
146	methyl prop-2-enoate	0.55	View
147	oxolan-2-one	-1.72	View
148	butanedioic acid	-0.94	View
149	dimethyl oxalate	-0.81	View
150	(ethenesulfonyl)ethene	1.41	View
151	2-methylpropanenitrile	-1.68	View
152	butanenitrile	-1.44	View
153	methyl(prop-2-yn-1-yl)amine	-0.98	View
154	1-bromobutan-2-one	2.6	View
155	3-bromobutan-2-one	1.85	View
156	3-chlorobutan-2-one	0.27	View
157	2-bromo-2-methylpropanoic acid	-0.58	View
158	2-bromobutanoic acid	0.12	View
159	4-bromobutanoic acid	-0.77	View
160	ethyl 2-bromoacetate	2.68	View
161	methyl 2-bromopropanoate	1.18	View
162	methyl 3-bromopropanoate	1.03	View
163	2-chlorobutanoic acid	-0.35	View
164	4-chlorobutanoic acid	-0.68	View
165	ethyl 2-chloroacetate	1.06	View
166	ethyl 2-iodoacetate	2.92	View
167	1-isothiocyanatopropane	1.7	View
168	2-methylprop-2-en-1-ol	-1.66	View
169	2-methylpropanal	-0.48	View
170	but-2-en-1-ol	-1.47	View
171	but-3-en-1-ol	-1.7	View
172	but-3-en-2-ol	-1.05	View
173	butan-2-one	-1.84	View
174	butanal	-0.47	View
175	2-chlorobutanamide	-1.22	View
176	(2Z)-but-2-ene-1,4-diol	-2.18	View
177	2-methylpropanoic acid	-0.33	View
178	butanoic acid	-0.57	View
179	ethyl acetate	-1.54	View
180	methyl propanoate	-1.61	View
181	propyl formate	-1.24	View
182	(ethanesulfonyl)ethene	0.11	View
183	1,4-dithiane	-0.11	View
184	1-bromo-2-methylpropane	-0.32	View
185	1-bromobutane	-0.18	View
186	1-chlorobutane	-0.91	View
187	1-iodobutane	0.3	View
188	4-chlorobutan-1-ol	-0.76	View
189	2-methylpropanamide	-1.87	View
190	N,N-dimethylacetamide	-1.95	View
191	N-(butan-2-ylidene)hydroxylamine	-1.07	View
192	N-ethylacetamide	-1.7	View
193	N-methylpropanamide	-1.53	View
194	butanamide	-1.79	View
195	1-nitrobutane	-0.69	View
196	2-methylpropan-1-ol	-1.42	View
197	2-methylpropan-2-ol	-1.79	View
198	butan-1-ol	-1.48	View
199	butan-2-ol	-1.59	View
200	butanehydrazide	-0.97	View
201	butane-1,2-diol	-2.05	View
202	butane-1,3-diol	-2.3	View
203	butane-1,4-diol	-2.24	View
204	(ethylsulfanyl)ethane	-0.98	View
205	propylthiourea	-0.69	View
206	(ethanesulfonyl)ethane	-1.84	View
207	diethyl sulfite	-0.99	View
208	diethyl sulfate	-0.7	View
209	2-methylpropan-1-amine	-0.26	View
210	2-methylpropan-2-amine	-0.9	View
211	butan-1-amine	-0.64	View
212	butan-2-amine	-0.74	View
213	ethyldimethylamine	-0.91	View
214	methyl(propyl)amine	-0.81	View
215	1-methoxypropan-2-amine	-0.83	View
216	2-(ethylamino)ethan-1-ol	-0.77	View
217	2-amino-2-methylpropan-1-ol	-0.96	View
218	2-aminobutan-1-ol	-0.72	View
219	3-methoxypropan-1-amine	-0.77	View
220	4-aminobutan-1-ol	-0.98	View
221	2-[(2-hydroxyethyl)amino]ethan-1-ol	-1.03	View
222	pentachloropyridine	1.7	View
223	4-bromo-2,3,5,6-tetrafluoropyridine	-0.13	View
224	pentafluoropyridine	0.7	View
225	2,3,5,6-tetrafluoropyridine	-0.61	View
226	tetrachloropyridine-4-thiol	1.37	View
227	2,3,5-trichloropyridine	0.34	View
228	3,5-dichloro-2,6-difluoropyridin-4-amine	0.6	View
229	2,6-dichloro-3-nitropyridine	2.03	View
230	2-chloro-3,5-dinitropyridine	2.54	View
231	5-chlorothiophene-2-carbonitrile	-0.08	View
232	2,6-dibromopyridine	0.25	View
233	3,5-dibromopyridine	0.32	View
234	furan-2-carbonitrile	-0.71	View
235	5-bromofuran-2-carbaldehyde	0.13	View
236	5-chlorofuran-2-carbaldehyde	0.07	View
237	5-iodofuran-2-carbaldehyde	0.33	View
238	2-bromo-5-nitropyridine	1.07	View
239	2-chloro-3-nitropyridine	0.87	View
240	2-chloro-5-nitropyridine	0.8	View
241	5-nitrofuran-2-carbaldehyde	2.23	View
242	thiophene-2-carbonitrile	-0.76	View
243	5-chlorothiophene-2-carbaldehyde	0.62	View
244	5-nitrothiophene-2-carbaldehyde	1.98	View
245	2-bromopyridine	-0.54	View
246	3-bromopyridine	-0.51	View
247	4-bromopyridine hydrochloride	-0.43	View
248	2-chloropyridine	-0.8	View
249	3-chloropyridine	-0.63	View
250	4-chloropyridine hydrochloride	-0.86	View
251	2-fluoropyridine	-1.2	View
252	1H-pyrrole-2-carbonitrile	-0.58	View
253	3,5-dibromopyridin-2-amine	0.85	View
254	3,5-dichloropyridin-2-amine	1.46	View
255	7H-purine	-0.79	View
256	2-bromopyridin-3-ol	0.08	View
257	2-chloropyridin-3-ol	-0.03	View
258	5-chloropyridin-2-ol	-0.75	View
259	5-chloropyridin-3-ol	0.1	View
260	6-chloropyridin-2-ol	-0.29	View
261	furan-2-carbaldehyde	-0.1	View
262	furan-3-carbaldehyde	0	View
263	5-chloropyridine-2,3-diol	0.57	View
264	4-nitropyridine	0.44	View
265	2-nitropyridin-3-ol	0.87	View
266	thiophene-2-carbaldehyde	-0.05	View
267	thiophene-3-carbaldehyde	0.4	View
268	pyridine	-1.26	View
269	5-bromopyridin-2-amine	0.5	View
270	2-chloropyridin-3-amine	-0.71	View
271	5-chloropyridin-2-amine	-0.03	View
272	6-chloropyridin-3-amine	0.17	View
273	1H-pyrrole-3-carbaldehyde	-0.48	View
274	pyridin-2-ol	-1.61	View
275	pyridin-3-ol	-0.73	View
276	pyridin-4-ol	-1.59	View
277	furan-2-carboxamide	-1.44	View
278	pyridine-2,3-diol	-0.34	View
279	pyridine-2,4-diol	-1.46	View
280	3-nitropyridin-2-amine	-0.01	View
281	5-nitropyridin-2-amine	0.22	View
282	2-bromo-3-methylthiophene	0.62	View
283	2-bromo-5-methylthiophene	0.65	View
284	thiophene-2-carboxamide	-0.97	View
285	2-methylpyrazine	-1.09	View
286	pentanedinitrile	-1.64	View
287	pyridin-2-amine	-0.62	View
288	pyridin-3-amine	-0.48	View
289	pyridin-4-amine	-0.44	View
290	4-chloro-6-methylpyrimidin-2-amine	-0.47	View
291	cyclopent-2-en-1-one	0.64	View
292	pent-2-en-4-yn-1-ol	-0.55	View
293	2-aminopyridin-3-ol	0.05	View
294	4-methyl-1H-imidazole-5-carbaldehyde	-0.93	View
295	ethenyl prop-2-enoate	1.42	View
296	ethyl prop-2-ynoate	1.7	View
297	methyl but-2-ynoate	0.4	View
298	prop-2-yn-1-yl acetate	-1.17	View
299	3-methylthiophene	-0.7	View
300	1,3-diisothiocyanatopropane	2.89	View
301	5-chloropent-1-yne	-0.49	View
302	(3E)-pent-3-enenitrile	-0.95	View
303	pyridine-2,3-diamine	-0.11	View
304	pyridine-2,6-diamine	-0.59	View
305	3-chloropentane-2,4-dione	1.44	View
306	ethyl 2-cyanoacetate	-1.23	View
307	5-bromopentanenitrile	-0.21	View
308	5-chloropentanenitrile	-0.63	View
309	(2E)-2-methylbut-2-enal	-0.14	View
310	(2E)-pent-2-enal	0.66	View
311	2-methylbut-3-yn-2-ol	-1.4	View
312	2-methylidenebutanal	0.91	View
313	3-methylbut-2-enal	0.09	View
314	pent-1-en-3-one	1.49	View
315	pent-1-yn-3-ol	-1.18	View
316	pent-2-yn-1-ol	-0.57	View
317	pent-3-en-2-one	0.54	View
318	pent-3-yn-1-ol	-1.27	View
319	pent-4-yn-1-ol	-1.46	View
320	pent-4-yn-2-ol	-1.63	View
321	(2E)-pent-2-enoic acid	-0.28	View
322	3-methyloxolan-2-one	-1.19	View
323	5-methyloxolan-2-one	-1.61	View
324	ethenyl propanoate	-0.65	View
325	ethyl prop-2-enoate	0.52	View
326	methyl (2E)-but-2-enoate	-0.92	View
327	methyl 2-methylprop-2-enoate	-1.28	View
328	pent-4-enoic acid	0.22	View
329	pentane-2,3-dione	-0.16	View
330	pentane-2,4-dione	-0.27	View
331	prop-1-en-2-yl acetate	-0.49	View
332	prop-2-en-1-yl acetate	0.48	View
333	ethyl 2,3-dibromopropanoate	2.21	View
334	2-hydroxyethyl prop-2-enoate	0.69	View
335	1,3-dimethyl propanedioate	-1.29	View
336	pentanedioic acid	-0.64	View
337	(2E)-1-bromopent-2-ene	0.77	View
338	5-bromopent-1-ene	0.01	View
339	chlorocyclopentane	-0.35	View
340	2,2-dimethylpropanenitrile	-1.33	View
341	2-methylbut-3-yn-2-amine	-0.91	View
342	3-methylbutanenitrile	-0.88	View
343	dimethyl(prop-2-yn-1-yl)amine	-1.15	View
344	pentanenitrile	-1.01	View
345	pentanoyl chloride	-0.34	View
346	N,N-dimethylprop-2-enamide	-1.24	View
347	2-bromo-3-methylbutanoic acid	-0.55	View
348	2-bromopentanoic acid	-0.04	View
349	5-bromopentanoic acid	-0.69	View
350	ethyl 2-bromopropanoate	1.06	View
351	ethyl 3-bromopropanoate	-0.13	View
352	methyl 2-bromobutanoate	1.02	View
353	methyl 4-bromobutanoate	0.07	View
354	propyl 2-bromoacetate	2.31	View
355	5-chloropentanoic acid	-0.29	View
356	ethyl 2-chloropropanoate	-0.43	View
357	ethyl 3-chloropropanoate	-0.5	View
358	propyl 2-chloroacetate	1.18	View
359	1-isothiocyanato-2-methylpropane	1.64	View
360	1-isothiocyanatobutane	1.72	View
361	2-isothiocyanato-2-methylpropane	-0.64	View
362	2-isothiocyanatobutane	1.11	View
363	(2Z)-pent-2-en-1-ol	-1.12	View
364	2-methylbut-3-en-2-ol	-1.39	View
365	2-methylbutanal	-0.36	View
366	3-methylbut-2-en-1-ol	-1.24	View
367	3-methylbut-3-en-1-ol	-1.18	View
368	3-methylbutan-2-one	-1.26	View
369	3-methylbutanal	-0.38	View
370	pent-1-en-3-ol	-1.35	View
371	pent-3-en-2-ol	-1.4	View
372	pent-4-en-1-ol	-1.23	View
373	pent-4-en-2-ol	-1.52	View
374	pentan-2-one	-1.4	View
375	pentan-3-one	-1.53	View
376	pentanal	-0.07	View
377	2,2-dimethylpropanoic acid	-0.25	View
378	2-methylpropyl formate	-1.32	View
379	3-methylbutanoic acid	-0.34	View
380	butyl formate	-1.04	View
381	ethyl propanoate	-1.04	View
382	methyl butanoate	-1.25	View
383	pentanoic acid	-0.27	View
384	propan-2-yl acetate	-1.59	View
385	propyl acetate	-1.29	View
386	tert-butyl formate	-0.89	View
387	1-bromo-3-methylbutane	0.25	View
388	1-bromopentane	0.48	View
389	2-bromopentane	0.21	View
390	1-chloropentane	0.17	View
391	3-bromo-2,2-dimethylpropan-1-ol	-0.46	View
392	3-chloro-2,2-dimethylpropan-1-ol	-0.78	View
393	2,2-dimethylpropanamide	-1.48	View
394	3-methylbutanamide	-1.66	View
395	N,N-dimethylpropanamide	-1.54	View
396	N-propylacetamide	-1.5	View
397	1-nitropentane	-0.36	View
398	butyl carbamate	-0.97	View
399	pentane	-0.2	View
400	1-methylpiperazine	-0.96	View
401	2,2-dimethylpropan-1-ol	-0.92	View
402	2-methylbutan-1-ol	-1.04	View
403	2-methylbutan-2-ol	-1.22	View
404	3-methylbutan-1-ol	-1.08	View
405	3-methylbutan-2-ol	-1.04	View
406	pentan-1-ol	-1.07	View
407	pentan-2-ol	-1.2	View
408	pentan-3-ol	-1.29	View
409	pentane-1,2-diol	-1.63	View
410	pentane-1,5-diol	-1.93	View
411	1,1,3,3-tetramethylthiourea	-0.85	View
412	1,3-diethylthiourea	-0.76	View
413	butylthiourea	-0.19	View
414	2-methylbutan-1-amine	-0.48	View
415	2-methylbutan-2-amine	-0.7	View
416	3-methylbutan-1-amine	-0.58	View
417	3-methylbutan-2-amine	-0.71	View
418	butyl(methyl)amine	-0.68	View
419	diethyl(methyl)amine	-0.76	View
420	pentan-1-amine	-0.55	View
421	pentan-2-amine	-0.69	View
422	pentan-3-amine	-0.81	View
423	2-(propylamino)ethan-1-ol	-0.77	View
424	2-amino-3-methylbutan-1-ol	-0.59	View
425	2-aminopentan-1-ol	-0.67	View
426	3-amino-2,2-dimethylpropan-1-ol	-0.92	View
427	3-ethoxypropan-1-amine	-0.76	View
428	5-aminopentan-1-ol	-0.99	View
429	2-[(2-hydroxyethyl)(methyl)amino]ethan-1-ol	-1.06	View
430	tetrachlorocyclohexa-2,5-diene-1,4-dione	1.54	View
431	1,2,3,4,5-pentafluoro-6-nitrobenzene	2.43	View
432	1,2,4,5-tetrachloro-3,6-dinitrobenzene	2.78	View
433	pentabromophenol	2.66	View
434	pentachlorophenol	2.38	View
435	pentafluorophenol	1.64	View
436	1,2,3,4-tetrachloro-5-nitrobenzene	1.79	View
437	1,2,4,5-tetrachloro-3-nitrobenzene	1.65	View
438	1,2,3,5-tetrafluoro-4-nitrobenzene	1.87	View
439	1,2,4-trichloro-3,5-dinitrobenzene	2.6	View
440	1,2,4,5-tetrachlorobenzene	2	View
441	2,3,4,5,6-pentafluoroaniline	0.23	View
442	2,3,4,5-tetrachlorophenol	2.36	View
443	2,3,4,6-tetrachlorophenol	2.18	View
444	2,3,5,6-tetrachlorophenol	2.22	View
445	2,3,5,6-tetrafluorophenol	1.17	View
446	tetrabromobenzene-1,2-diol	0.98	View
447	2,5-dichlorocyclohexa-2,5-diene-1,4-dione	2.61	View
448	tetrachlorobenzene-1,2-diol	1.7	View
449	tetrachlorobenzene-1,4-diol	2.25	View
450	tetrafluorobenzene-1,4-diol	1.84	View
451	1,2,3-trichloro-4-nitrobenzene	1.51	View
452	1,2,3-trichloro-5-nitrobenzene	1.55	View
453	1,2,4-trichloro-5-nitrobenzene	1.53	View
454	1,3,5-trichloro-2-nitrobenzene	1.43	View
455	1,2,3-trifluoro-4-nitrobenzene	1.89	View
456	1,2-dichloro-4,5-dinitrobenzene	2.21	View
457	1,5-dichloro-2,3-dinitrobenzene	2.51	View
458	1,5-dichloro-2,4-dinitrobenzene	2.65	View
459	1,5-difluoro-2,4-dinitrobenzene	2.08	View
460	1-bromo-2,3-dichlorobenzene	1.3	View
461	2-bromo-1,3-dichlorobenzene	1.34	View
462	1,2,3-trichlorobenzene	1.21	View
463	1,2,4-trichlorobenzene	1.12	View
464	1,3,5-trichlorobenzene	0.87	View
465	2,3,4,5-tetrachloroaniline	1.96	View
466	2,3,5,6-tetrachloroaniline	1.81	View
467	2,4,6-tribromophenol	1.85	View
468	4-bromo-2,6-dichlorophenol	1.78	View
469	2,3,5-trichlorophenol	2.37	View
470	2,4,5-trichlorophenol	2.1	View
471	2,4,6-trichlorophenol	1.55	View
472	2,6-dichloro-4-fluorophenol	0.8	View
473	2,4,6-triiodophenol	2.67	View
474	2,4,6-tribromobenzene-1,3-diol	1.06	View
475	2-chlorocyclohexa-2,5-diene-1,4-dione	2.06	View
476	1,4-dibromo-2-nitrobenzene	1.37	View
477	1,2-dichloro-3-nitrobenzene	1.07	View
478	1,2-dichloro-4-nitrobenzene	1.16	View
479	1,3-dichloro-5-nitrobenzene	1.13	View
480	1,4-dichloro-2-nitrobenzene	1.13	View
481	2,4-dichloro-1-nitrobenzene	0.99	View
482	2-chloro-1-fluoro-4-nitrobenzene	0.8	View
483	1,4-difluoro-2-nitrobenzene	0.39	View
484	1-fluoro-3-iodo-5-nitrobenzene	1.09	View
485	2,6-dibromo-4-nitrophenol	1.36	View
486	2,4-dichloro-6-nitrophenol	1.75	View
487	2,6-dichloro-4-nitrophenol	0.64	View
488	4-bromo-2-fluoro-6-nitrophenol	1.62	View
489	2,6-diiodo-4-nitrophenol	1.76	View
490	1-bromo-2,4-dinitrobenzene	2.31	View
491	1-chloro-2,4-dinitrobenzene	2.07	View
492	1-fluoro-2,4-dinitrobenzene	1.71	View
493	1-iodo-2,4-dinitrobenzene	2.12	View
494	2,4,6-trinitrophenol	-0.16	View
495	2,2,2-trifluoro-1-(thiophen-2-yl)ethan-1-one	-0.1	View
496	1,4-dibromobenzene	0.68	View
497	1-bromo-4-chlorobenzene	0.56	View
498	1,2-dichlorobenzene	1.26	View
499	1,3-dichlorobenzene	0.56	View
500	1,4-dichlorobenzene	0.53	View
501	1-bromo-4-fluorobenzene	0.11	View
502	1-bromo-4-iodobenzene	0.35	View
503	2,6-dibromo-4-chloroaniline	1.52	View
504	2,3,4-trichloroaniline	1.27	View
505	2,4,5-trichloroaniline	1.3	View
506	2,4,6-trichloroaniline	1.01	View
507	3,4,5-trichloroaniline	1.51	View
508	pyridine-2-carbonitrile	-0.81	View
509	pyridine-3-carbonitrile	-0.75	View
510	pyridine-4-carbonitrile	-0.82	View
511	2,4-dibromophenol	1.4	View
512	2,3-dichlorophenol	1.28	View
513	2,4-dichlorophenol	1.04	View
514	2,5-dichlorophenol	1.13	View
515	2,6-dichlorophenol	0.74	View
516	3,4-dichlorophenol	1.74	View
517	3,5-dichlorophenol	1.57	View
518	3-chloro-4-fluorophenol	1	View
519	2,4-difluorophenol	0.6	View
520	2,6-difluorophenol	0.43	View
521	cyclohexa-2,5-diene-1,4-dione	2.33	View
522	2,5-dibromobenzene-1,4-diol	1.55	View
523	2,5-dichlorobenzene-1,4-diol	1.67	View
524	3,5-dichlorobenzene-1,2-diol	1.37	View
525	4,5-dichlorobenzene-1,2-diol	1.32	View
526	4,6-dichlorobenzene-1,3-diol	0.97	View
527	1-bromo-2-nitrobenzene	0.81	View
528	1-bromo-3-nitrobenzene	1.12	View
529	1-bromo-4-nitrobenzene	0.42	View
530	1-chloro-2-nitrobenzene	0.57	View
531	1-chloro-3-nitrobenzene	0.73	View
532	1-chloro-4-nitrobenzene	0.48	View
533	1-fluoro-2-nitrobenzene	0.23	View
534	1-fluoro-3-nitrobenzene	0.2	View
535	1-fluoro-4-nitrobenzene	0.09	View
536	2,4-dibromo-6-nitroaniline	1.4	View
537	2,6-dibromo-4-nitroaniline	1.22	View
538	4,5-dichloro-2-nitroaniline	1.69	View
539	4,5-difluoro-2-nitroaniline	0.76	View
540	5-nitro-1H-1,2,3-benzotriazole	0.75	View
541	4-bromo-2-nitrophenol	1.87	View
542	2-chloro-4-nitrophenol	1.38	View
543	4-chloro-2-nitrophenol	1.96	View
544	4-chloro-3-nitrophenol	1.27	View
545	2-fluoro-4-nitrophenol	1.07	View
546	3-fluoro-4-nitrophenol	0.94	View
547	4-fluoro-2-nitrophenol	1.38	View
548	5-fluoro-2-nitrophenol	1.13	View
549	2,5-dihydroxycyclohexa-2,5-diene-1,4-dione	-0.05	View
550	1,2-dinitrobenzene	1.27	View
551	1,3-dinitrobenzene	0.83	View
552	1,4-dinitrobenzene	1.33	View
553	2-bromo-4,6-dinitroaniline	1.24	View
554	2-chloro-4,6-dinitroaniline	1.17	View
555	4-chloro-2,6-dinitroaniline	1.15	View
556	5-fluoro-2,4-dinitroaniline	1.69	View
557	2,3-dinitrophenol	0.46	View
558	2,4-dinitrophenol	1.08	View
559	2,5-dinitrophenol	0.99	View
560	2,6-dinitrophenol	0.65	View
561	3,4-dinitrophenol	0.32	View
562	3,5-dinitrophenol	1.39	View
563	4,6-dinitrobenzene-1,2,3-triol	1.18	View
564	2,1,3-benzothiadiazole	-0.09	View
565	bromobenzene	0.08	View
566	chlorobenzene	0.1	View
567	iodobenzene	0.36	View
568	2,6-dibromoaniline	0.9	View
569	2,3-dichloroaniline	1.21	View
570	2,4-dichloroaniline	0.56	View
571	2,5-dichloroaniline	0.58	View
572	2,6-dichloroaniline	0.33	View
573	3,4-dichloroaniline	1.26	View
574	3,5-dichloroaniline	0.71	View
575	1H-1,2,3-benzotriazole	-0.42	View
576	1H-imidazo[4,5-b]pyridine	-0.71	View
577	2-bromophenol	0.42	View
578	3-bromophenol	1.15	View
579	4-bromophenol	0.68	View
580	2-chlorophenol	0.23	View
581	3-chlorophenol	0.91	View
582	4-chlorophenol	0.55	View
583	2-fluorophenol	0.23	View
584	3-fluorophenol	0.43	View
585	4-fluorophenol	0.02	View
586	3-iodophenol	1.12	View
587	4-iodophenol	0.85	View
588	pyridine-2-carbaldehyde	-0.11	View
589	pyridine-3-carbaldehyde	-0.53	View
590	pyridine-4-carbaldehyde	-0.19	View
591	4-amino-2,6-dibromophenol	1.55	View
592	4-amino-2,6-dichlorophenol	1.29	View
593	2-bromobenzene-1,4-diol	1.68	View
594	2-chlorobenzene-1,4-diol	1.09	View
595	4-chlorobenzene-1,2-diol	1.08	View
596	4-chlorobenzene-1,3-diol	0.13	View
597	3-fluorobenzene-1,2-diol	0.92	View
598	4-nitrosophenol	0.65	View
599	nitrobenzene	0.08	View
600	pyridine-2-carboxylic acid	0.07	View
601	pyridine-3-carboxylic acid	-1.36	View
602	pyridine-4-carboxylic acid	-1.38	View
603	2-chloro-4-methyl-3-nitropyridine	0.29	View
604	2-chloro-4-methyl-5-nitropyridine	0.42	View
605	2-chloro-4-nitroaniline	0.75	View
606	2-chloro-5-nitroaniline	0.6	View
607	2-(2-nitroethenyl)furan	2.04	View
608	2-nitrophenol	0.72	View
609	3-nitrophenol	0.51	View
610	4-nitrophenol	1.68	View
611	2-amino-4-chloro-5-nitrophenol	1.18	View
612	2-amino-6-chloro-4-nitrophenol	1.2	View
613	2-chloro-6-methoxy-3-nitropyridine	1.36	View
614	2-nitrobenzene-1,3-diol	0.66	View
615	4-nitrobenzene-1,2-diol	1.17	View
616	2,4-dinitroaniline	0.62	View
617	2,6-dinitroaniline	0.89	View
618	3,5-dinitroaniline	0.94	View
619	2-bromo-1-(thiophen-3-yl)ethan-1-one	2.22	View
620	benzene	-0.57	View
621	2-bromoaniline	0.46	View
622	3-bromoaniline	0.49	View
623	4-bromoaniline	1.01	View
624	2-chloro-6-methylpyridine	-0.45	View
625	2-chloroaniline	-0.17	View
626	3-chloroaniline	0.11	View
627	4-chloroaniline	0.7	View
628	2-fluoroaniline	-0.34	View
629	3-fluoroaniline	-0.03	View
630	4-fluoroaniline	0.59	View
631	2-iodoaniline	0.35	View
632	3-iodoaniline	0.61	View
633	phenol	-0.35	View
634	2-amino-4-chlorophenol	0.78	View
635	3-amino-4-chlorophenol	0.1	View
636	4-amino-2-chlorophenol	0.72	View
637	N-(pyridin-4-ylmethylidene)hydroxylamine	-0.55	View
638	pyridine-4-carboxamide	-1.02	View
639	1-(furan-2-yl)ethan-1-one	-1.04	View
640	5-methylfuran-2-carbaldehyde	-0.03	View
641	benzene-1,2-diol	0.52	View
642	benzene-1,3-diol	-0.65	View
643	benzene-1,4-diol	0.37	View
644	prop-2-yn-1-yl prop-2-enoate	1.06	View
645	2-nitroaniline	0.38	View
646	3-nitroaniline	0.03	View
647	4-nitroaniline	1.5	View
648	benzene-1,2,3-triol	0.85	View
649	benzene-1,2,4-triol	0.44	View
650	benzene-1,3,5-triol dihydrate	-1.26	View
651	methyl furan-2-carboxylate	-0.85	View
652	2-amino-4-nitrophenol	0.48	View
653	2-methoxy-5-nitropyridine	-0.01	View
654	4-amino-2-nitrophenol	0.93	View
655	4-methyl-3-nitropyridin-2-ol	-0.59	View
656	4-methyl-5-nitropyridin-2-ol	-0.17	View
657	6-methyl-2-nitropyridin-3-ol	0.39	View
658	1,4-dimethyl but-2-ynedioate	2.48	View
659	benzenethiol	1.66	View
660	1-(thiophen-2-yl)ethan-1-one	-0.59	View
661	2-methylpyridine	-1.02	View
662	3-methylpyridine	-0.99	View
663	4-methylpyridine	-0.89	View
664	aniline	-0.07	View
665	1-(1H-pyrrol-2-yl)ethan-1-one	-0.91	View
666	1-(1H-pyrrol-3-yl)ethan-1-one	-0.85	View
667	2-aminophenol	0.94	View
668	3-aminophenol	-0.53	View
669	4-aminophenol	-0.08	View
670	6-methylpyridin-2-ol	-1.35	View
671	6-methylpyridin-3-ol	-0.88	View
672	pyridin-2-ylmethanol	-1.48	View
673	pyridin-3-ylmethanol	-1.49	View
674	pyridin-4-ylmethanol	-1.33	View
675	prop-2-en-1-yl 2-cyanoacetate	-0.79	View
676	2-nitrobenzene-1,4-diamine	0.19	View
677	4-methyl-3-nitropyridin-2-amine	0.5	View
678	4-methyl-5-nitropyridin-2-amine	0.37	View
679	4-nitrobenzene-1,2-diamine	0.52	View
680	3-amino-4-hydroxybenzene-1-sulfonic acid	-1.05	View
681	2,3-dimethylpyrazine	-0.87	View
682	3-methylpyridin-2-amine	-0.57	View
683	benzene-1,2-diamine	0.35	View
684	benzene-1,3-diamine	-0.58	View
685	benzene-1,4-diamine	0.16	View
686	hexanedinitrile	-1.54	View
687	(2E,4E)-hexa-2,4-dienal	0.75	View
688	2,3-dimethylfuran	-0.51	View
689	2,5-dimethylfuran	-0.48	View
690	2-ethylfuran	-0.52	View
691	2-methylcyclopent-2-en-1-one	-0.83	View
692	3-methylcyclopent-2-en-1-one	-1.32	View
693	hex-3-yn-2-one	1.29	View
694	2,4-diaminophenol dihydrochloride	0.13	View
695	but-2-yn-1-yl acetate	-0.88	View
696	cyclohexane-1,4-dione	-1.67	View
697	ethenyl (2E)-but-2-enoate	-0.15	View
698	ethenyl 2-methylprop-2-enoate	-0.62	View
699	ethyl but-2-ynoate	0.51	View
700	prop-2-en-1-yl prop-2-enoate	0.68	View
701	prop-2-yn-1-yl propanoate	-0.66	View
702	2,5-dibromohexane-3,4-dione	2.17	View
703	1,4-dimethyl (2Z)-but-2-enedioate	0.33	View
704	2-ethylthiophene	-0.43	View
705	1,4-diisothiocyanatobutane	3.1	View
706	trimethyl-1,3-oxazole	-1.01	View
707	propan-2-yl 2-cyanoacetate	-0.95	View
708	isothiocyanatocyclopentane	1.6	View
709	cyclohexene	-0.01	View
710	2-methylcyclopentan-1-one	-1.2	View
711	2-methylpent-2-enal	-0.39	View
712	3-methylpent-1-yn-3-ol	-1.32	View
713	3-methylpent-3-en-2-one	-0.34	View
714	4-methylpent-1-yn-3-ol	-0.03	View
715	4-methylpent-2-enal	0.82	View
716	4-methylpent-3-en-2-one	-0.64	View
717	cyclohexanone	-1.23	View
718	hex-1-en-3-one	1.66	View
719	hex-1-yn-3-ol	0.66	View
720	hex-2-enal	0.77	View
721	hex-2-yn-1-ol	-0.38	View
722	hex-3-yn-1-ol	-1.03	View
723	hex-3-yn-2-ol	0.56	View
724	hex-4-en-3-one	0.93	View
725	hex-4-yn-3-ol	-0.19	View
726	hex-5-en-2-one	-1.14	View
727	hex-5-yn-1-ol	-1.27	View
728	hex-5-yn-3-ol	-1.4	View
729	hexa-1,5-dien-3-ol	0.25	View
730	(2E)-but-2-en-1-yl acetate	-0.87	View
731	(2E)-hex-2-enoic acid	-0.13	View
732	(3E)-hex-3-enoic acid	-0.22	View
733	5-ethyloxolan-2-one	-1.24	View
734	ethenyl butanoate	-0.38	View
735	ethyl (2E)-but-2-enoate	-0.76	View
736	ethyl 2-methylprop-2-enoate	-0.93	View
737	hex-3-yne-2,5-diol	-0.46	View
738	hexane-2,3-dione	-0.21	View
739	hexane-2,5-dione	-1.4	View
740	hexane-3,4-dione	-0.01	View
741	methyl (2E)-2-methylbut-2-enoate	-0.7	View
742	methyl (3E)-pent-3-enoate	-0.28	View
743	methyl 3-methylbut-2-enoate	-1.06	View
744	oxepan-2-one	-1.26	View
745	prop-2-en-1-yl propanoate	-0.88	View
746	propyl prop-2-enoate	0.53	View
747	ethyl 2,3-dibromobutanoate	1.44	View
748	2-hydroxyethyl 2-methylprop-2-enoate	-1.08	View
749	2-hydroxypropyl prop-2-enoate	0.65	View
750	1,4-dimethyl butanedioate	-1.06	View
751	diethyl oxalate	-0.86	View
752	hexanedioic acid	-0.61	View
753	3-(prop-2-en-1-ylsulfanyl)prop-1-ene	-0.31	View
754	4-methylpentanenitrile	-0.78	View
755	hexanenitrile	-0.38	View
756	1-bromo-3,3-dimethylbutan-2-one	2.38	View
757	1-chloro-3,3-dimethylbutan-2-one	1.27	View
758	hexanoyl chloride	0.34	View
759	N-(propan-2-yl)prop-2-enamide	-1.31	View
760	N-cyclohexylidenehydroxylamine	-0.8	View
761	2-bromohexanoic acid	0.45	View
762	4-bromobutyl acetate	0.39	View
763	6-bromohexanoic acid	0.03	View
764	ethyl 2-bromo-2-methylpropanoate	0.15	View
765	ethyl 2-bromobutanoate	0.77	View
766	ethyl 4-bromobutanoate	-0.03	View
767	methyl 5-bromopentanoate	-0.08	View
768	tert-butyl 2-bromoacetate	2.41	View
769	ethyl 4-chlorobutanoate	-0.28	View
770	tert-butyl 2-chloroacetate	0.86	View
771	1-isothiocyanato-3-methylbutane	1.62	View
772	1-isothiocyanatopentane	1.7	View
773	2-isothiocyanato-2-methylbutane	0.36	View
774	2-isothiocyanato-3-methylbutane	0.92	View
775	2-isothiocyanatopentane	1.16	View
776	3-isothiocyanatopentane	1	View
777	1,2-dibromohexane	1.15	View
778	1,6-dibromohexane	1.05	View
779	3,4-dibromohexane	1	View
780	(2E)-hex-2-en-1-ol	-0.47	View
781	(2Z)-hex-2-en-1-ol	-0.78	View
782	(3E)-hex-3-en-1-ol	-0.78	View
783	(3Z)-hex-3-en-1-ol	-0.81	View
784	2-ethylbutanal	-0.1	View
785	2-methylpentanal	-0.47	View
786	3,3-dimethylbutan-2-one	-1.44	View
787	3,3-dimethylbutanal	-0.37	View
788	4-methylpentan-2-one	-1.31	View
789	cyclohexanol	-0.85	View
790	hex-1-en-3-ol	-0.81	View
791	hex-4-en-1-ol	-0.75	View
792	hex-5-en-1-ol	-0.85	View
793	hexan-2-one	-1.43	View
794	hexanal	-0.22	View
795	2-chloro-N,N-diethylacetamide	0.52	View
796	2-ethylbutanoic acid	-0.15	View
797	2-methylpropyl acetate	-1.27	View
798	3-methylpentanoic acid	-0.23	View
799	4-methylpentanoic acid	-0.27	View
800	butan-2-yl acetate	-0.68	View
801	butyl acetate	-0.49	View
802	ethyl 2-methylpropanoate	-1.27	View
803	ethyl butanoate	-0.49	View
804	hexanoic acid	-0.21	View
805	methyl 2,2-dimethylpropanoate	-1.28	View
806	methyl 2-methylbutanoate	-1.17	View
807	methyl pentanoate	-0.91	View
808	pentyl formate	-0.78	View
809	propyl propanoate	-0.9	View
810	tert-butyl acetate	-1.49	View
811	(2,2-dimethyl-1,3-dioxolan-4-yl)methanol	-1.79	View
812	ethyl (3R)-3-hydroxybutanoate	-1.53	View
813	ethyl (3S)-3-hydroxybutanoate	-1.53	View
814	ethyl 2-hydroxy-2-methylpropanoate	-1.57	View
815	cyclohexanethiol	0	View
816	1-bromohexane	0.94	View
817	1-chlorohexane	0.78	View
818	6-bromohexan-1-ol	0.01	View
819	6-chlorohexan-1-ol	-0.27	View
820	N,N-diethylacetamide	-1.54	View
821	N-tert-butylacetamide	-1.16	View
822	hexanamide	-0.91	View
823	1-nitrohexane	0.04	View
824	hexane	0.72	View
825	3,3-dimethylbutan-1-ol	-0.74	View
826	4-methylpentan-1-ol	-0.64	View
827	hexan-1-ol	-0.42	View
828	hexan-2-ol	-0.93	View
829	hexan-3-ol	-0.85	View
830	2-butoxyethan-1-ol	-1.37	View
831	2-methylpentane-2,4-diol	-1.96	View
832	hexane-1,2-diol	-1.27	View
833	hexane-1,6-diol	-1.49	View
834	hexane-2,5-diol	-1.96	View
835	hexanedihydrazide	-1.37	View
836	1-(propylsulfanyl)propane	0	View
837	1-(propane-1-sulfinyl)propane	-1.22	View
838	dipropyl sulfite	0.09	View
839	hexane-1,6-dithiol	0.63	View
840	hexan-1-amine	-0.28	View
841	2-(piperazin-1-yl)ethan-1-amine	-0.79	View
842	2-(tert-butylamino)ethan-1-ol	-0.8	View
843	2-amino-3,3-dimethylbutan-1-ol	-0.72	View
844	2-amino-3-methylpentan-1-ol	-0.66	View
845	2-amino-4-methylpentan-1-ol	-0.62	View
846	2-aminohexan-1-ol	-0.59	View
847	6-aminohexan-1-ol	-0.96	View
848	2-[bis(2-hydroxyethyl)amino]ethan-1-ol	-1.75	View
849	2,3,4,5,6-pentafluorobenzaldehyde	0.82	View
850	4-chloro-3,5-dinitrobenzonitrile	2.66	View
851	2,3,5-trichlorobenzaldehyde	1.61	View
852	(pentafluorophenyl)methanol	-0.2	View
853	3,5-dibromo-4-hydroxybenzonitrile	1.16	View
854	2,4,6-trichlorobenzoic acid	-0.41	View
855	1-chloro-2-nitro-4-(trifluoromethyl)benzene	0.85	View
856	4-chloro-3-nitrobenzonitrile	1.71	View
857	3,5-dinitrobenzonitrile	1.22	View
858	1-chloro-4-isothiocyanato-2-nitrobenzene	2.11	View
859	4-bromobenzonitrile	0.3	View
860	2-chlorobenzonitrile	0.28	View
861	3-chlorobenzonitrile	-0.06	View
862	4-chlorobenzonitrile	0	View
863	4-fluorobenzonitrile	-0.26	View
864	2,3,4,5-tetrabromo-6-methylphenol	2.57	View
865	2,4-dichlorobenzaldehyde	1.04	View
866	1,2,4,5-tetrachloro-3-methoxybenzene	1.89	View
867	2-chloro-6-fluorobenzaldehyde	0.16	View
868	2,5-dibromobenzoic acid	-0.31	View
869	3,5-dibromo-2-hydroxybenzaldehyde	1.64	View
870	3,5-dibromo-4-hydroxybenzaldehyde	0.89	View
871	3,5-dibromobenzoic acid	0.46	View
872	2,3-dichlorobenzoic acid	-0.41	View
873	2,4-dichlorobenzoic acid	-0.39	View
874	2,5-dichlorobenzoic acid	-0.46	View
875	2,6-dichlorobenzoic acid	-0.67	View
876	3,4-dichlorobenzoic acid	0.31	View
877	3,5-dichloro-2-hydroxybenzaldehyde	1.55	View
878	3,5-dichlorobenzoic acid	0.27	View
879	2-hydroxy-3,5-diiodobenzaldehyde	2.35	View
880	2-nitrobenzonitrile	1.08	View
881	3-nitrobenzonitrile	0.45	View
882	4-nitrobenzonitrile	0.57	View
883	2-chloro-5-nitrobenzaldehyde	0.56	View
884	4-chloro-3-nitrobenzaldehyde	1.19	View
885	4-nitro-3-(trifluoromethyl)phenol	1.65	View
886	(trichloromethyl)benzene	-0.27	View
887	benzonitrile	-0.52	View
888	4-fluoro-2-(trifluoromethyl)aniline	-0.02	View
889	4-fluoro-3-(trifluoromethyl)aniline	0.84	View
890	2-amino-5-chlorobenzonitrile	0.44	View
891	2-bromobenzaldehyde	0.48	View
892	3-bromobenzaldehyde	0.51	View
893	4-bromobenzaldehyde	0.59	View
894	2-chlorobenzaldehyde	0.49	View
895	3-chlorobenzaldehyde	0.41	View
896	4-chlorobenzaldehyde	0.4	View
897	1,2,3-trichloro-4-methoxybenzene	1.64	View
898	2-fluorobenzaldehyde	0.08	View
899	3-fluorobenzaldehyde	0.15	View
900	4-fluorobenzaldehyde	-0.13	View
901	4-(trifluoromethyl)phenol	0.62	View
902	1,2-benzoxazole	-0.16	View
903	1,3-benzoxazole	-0.32	View
904	2-hydroxybenzonitrile	0.04	View
905	3-(furan-2-yl)prop-2-enenitrile	-0.31	View
906	3-hydroxybenzonitrile	-0.07	View
907	4-hydroxybenzonitrile	0.52	View
908	2,4-dichlorobenzamide	-0.36	View
909	2-bromobenzoic acid	-0.47	View
910	3-bromo-4-hydroxybenzaldehyde	0.61	View
911	4-bromobenzoic acid	0.18	View
912	5-bromo-2-hydroxybenzaldehyde	1.11	View
913	2-chloro-4-hydroxybenzaldehyde	0.89	View
914	2-chlorobenzoic acid	-0.45	View
915	3-chlorobenzoic acid	-0.13	View
916	4-chlorobenzoic acid	0.11	View
917	5-chloro-2-hydroxybenzaldehyde	1.01	View
918	3,4-dihydroxybenzonitrile	1.26	View
919	3-(furan-2-yl)-3-oxopropanenitrile	0.3	View
920	5-nitro-1H-indazole	0.55	View
921	6-nitro-1H-1,3-benzodiazole	0.29	View
922	5-chloro-2-hydroxybenzoic acid	-0.4	View
923	2-nitrobenzaldehyde	0.17	View
924	3-nitrobenzaldehyde	0.14	View
925	4-nitrobenzaldehyde	0.2	View
926	5-bromo-1-fluoro-2-methoxy-3-nitrobenzene	0.97	View
927	5-chloro-2-nitrobenzamide	-0.32	View
928	2-hydroxy-3-nitrobenzaldehyde	0.87	View
929	2-nitrobenzoic acid	-1.64	View
930	3-hydroxy-4-nitrobenzaldehyde	0.27	View
931	3-nitrobenzoic acid	-1.09	View
932	4-hydroxy-3-nitrobenzaldehyde	0.61	View
933	4-nitrobenzoic acid	-0.86	View
934	5-hydroxy-2-nitrobenzaldehyde	0.38	View
935	pyridine-2,6-dicarboxylic acid	0	View
936	1-chloro-5-methyl-2,4-dinitrobenzene	2.33	View
937	1,3-benzothiazole	-0.08	View
938	isothiocyanatobenzene	1.41	View
939	(dibromomethyl)benzene	0.64	View
940	(dichloromethyl)benzene	0.11	View
941	1,2-dichloro-4-methylbenzene	1.15	View
942	1H-1,3-benzodiazole	-0.32	View
943	1H-indazole	0.16	View
944	1H-pyrrolo[2,3-b]pyridine	0.15	View
945	2-aminobenzonitrile	-0.5	View
946	3-aminobenzonitrile	-0.47	View
947	4-aminobenzonitrile	0.25	View
948	benzaldehyde	-0.1	View
949	4-bromo-2-chloro-6-methylphenol	1.28	View
950	1,3-dichloro-5-methoxybenzene	0.93	View
951	4-chlorobenzamide	0.09	View
952	(2E)-3-(furan-2-yl)prop-2-enal	0.37	View
953	2-hydroxybenzaldehyde	0.45	View
954	2-methylcyclohexa-2,5-diene-1,4-dione	2.41	View
955	3-hydroxybenzaldehyde	0.09	View
956	4-hydroxybenzaldehyde	0.27	View
957	benzoic acid	-0.3	View
958	1-(bromomethyl)-4-nitrobenzene	2.31	View
959	1-bromo-2-methyl-4-nitrobenzene	1.16	View
960	1-(chloromethyl)-4-nitrobenzene	1.18	View
961	1-chloro-2-methyl-3-nitrobenzene	0.68	View
962	4-chloro-1-methyl-2-nitrobenzene	0.82	View
963	5-chloro-2-hydroxybenzamide	0.59	View
964	2-fluoro-1-methyl-4-nitrobenzene	0.33	View
965	4-fluoro-1-methyl-2-nitrobenzene	0.25	View
966	2,3-dihydroxybenzaldehyde	0.57	View
967	2,4-dihydroxybenzaldehyde	0.62	View
968	2,5-dihydroxybenzaldehyde	0.49	View
969	2-hydroxybenzoic acid	-0.57	View
970	3,4-dihydroxybenzaldehyde	0.3	View
971	3-hydroxybenzoic acid	-0.82	View
972	4-hydroxybenzoic acid	-1.17	View
973	2-(chloromethyl)-4-nitrophenol	0.75	View
974	4-chloro-5-methyl-2-nitrophenol	1.64	View
975	2-nitrobenzamide	-0.72	View
976	3-nitrobenzamide	-0.19	View
977	4-nitrobenzamide	0.18	View
978	N-[(4-nitrophenyl)methylidene]hydroxylamine	0.68	View
979	2,3,4-trihydroxybenzaldehyde	0.31	View
980	2,4,6-trihydroxybenzaldehyde	0.11	View
981	2,5-dihydroxybenzoic acid	-0.68	View
982	3,4,5-trihydroxybenzaldehyde	-0.03	View
983	1-methyl-2,4-dinitrobenzene	0.75	View
984	4-methyl-1,2-dinitrobenzene	1.52	View
985	(3,4-dinitrophenyl)methanol	1.09	View
986	(3,5-dinitrophenyl)methanol	0.53	View
987	2-methyl-4,6-dinitrophenol	1.53	View
988	4-methyl-2,6-dinitrophenol	1.23	View
989	4-amino-3,5-dinitrobenzamide	0.51	View
990	(bromomethyl)benzene	0.64	View
991	1-bromo-4-methylbenzene	0.47	View
992	(chloromethyl)benzene	0.06	View
993	2-ethenylpyridine	0.24	View
994	4-ethenylpyridine	1.13	View
995	2,6-dichloro-3-methylaniline	0.69	View
996	1H-1,3-benzodiazol-2-amine	0.04	View
997	1H-indazol-5-amine	-0.1	View
998	(2-bromophenyl)methanol	0.1	View
999	(3-bromophenyl)methanol	0.37	View
1000	1-bromo-4-methoxybenzene	0.4	View
1001	2-bromo-4-methylphenol	0.69	View
1002	(2-chlorophenyl)methanol	-0.1	View
1003	(3-chlorophenyl)methanol	0.15	View
1004	(4-chlorophenyl)methanol	0.25	View
1005	1-chloro-2-methoxybenzene	0.25	View
1006	1-chloro-3-methoxybenzene	0.32	View
1007	1-chloro-4-methoxybenzene	0.63	View
1008	2-chloro-5-methylphenol	0.53	View
1009	4-chloro-2-methylphenol	0.7	View
1010	4-chloro-3-methylphenol	0.8	View
1011	(2-fluorophenyl)methanol	-0.67	View
1012	(3-fluorophenyl)methanol	-0.39	View
1013	(4-fluorophenyl)methanol	-0.62	View
1014	(2-iodophenyl)methanol	0.33	View
1015	1-(pyridin-4-yl)ethan-1-one	-0.85	View
1016	N-(phenylmethylidene)hydroxylamine	-0.11	View
1017	benzamide	-0.91	View
1018	6-amino-2,4-dichloro-3-methylphenol	1.66	View
1019	4-bromo-2-(hydroxymethyl)phenol	0.34	View
1020	3-chloro-5-methoxyphenol	0.76	View
1021	1-methyl-2-nitrobenzene	0.26	View
1022	1-methyl-3-nitrobenzene	0.29	View
1023	1-methyl-4-nitrobenzene	0.54	View
1024	2-[(hydroxyimino)methyl]phenol	-0.25	View
1025	2-hydroxybenzamide	-0.24	View
1026	3-aminobenzoic acid	-0.63	View
1027	4-hydroxybenzamide	-0.78	View
1028	N-hydroxybenzamide	0.38	View
1029	methyl pyridine-4-carboxylate	-0.81	View
1030	phenyl carbamate	-0.39	View
1031	(2-nitrophenyl)methanol	-0.16	View
1032	(3-nitrophenyl)methanol	-0.22	View
1033	(4-nitrophenyl)methanol	0.11	View
1034	1-methoxy-2-nitrobenzene	-0.07	View
1035	1-methoxy-3-nitrobenzene	0.7	View
1036	1-methoxy-4-nitrobenzene	0.46	View
1037	2-methyl-3-nitrophenol	0.78	View
1038	2-methyl-5-nitrophenol	0.66	View
1039	3-methyl-2-nitrophenol	0.61	View
1040	3-methyl-4-nitrophenol	1.65	View
1041	4-methyl-2-nitrophenol	0.57	View
1042	4-methyl-3-nitrophenol	0.74	View
1043	5-methyl-2-nitrophenol	0.59	View
1044	N,2-dihydroxybenzamide	0.38	View
1045	benzenecarbothioamide	0.09	View
1046	methylbenzene	-0.13	View
1047	(4-chlorophenyl)methanamine	0.16	View
1048	2-chloro-4-methylaniline	0.21	View
1049	2-chloro-5-methylaniline	0.35	View
1050	2-chloro-6-methylaniline	0.09	View
1051	3-chloro-2-methylaniline	0.42	View
1052	3-chloro-4-methylaniline	0.42	View
1053	4-chloro-2-methylaniline	0.35	View
1054	5-chloro-2-methylaniline	0.51	View
1055	2-methylphenol	-0.29	View
1056	3-methylphenol	-0.05	View
1057	4-methylphenol	-0.19	View
1058	anisole	-0.27	View
1059	phenylmethanol	-0.88	View
1060	2-aminobenzamide	-0.87	View
1061	4-aminobenzamide	-0.75	View
1062	benzohydrazide	-0.52	View
1063	1-(5-methylfuran-2-yl)ethan-1-one	-0.83	View
1064	1-(furan-2-yl)propan-1-one	-0.77	View
1065	2-(hydroxymethyl)phenol	-0.95	View
1066	2-methoxyphenol	-0.51	View
1067	2-methylbenzene-1,3-diol	0.03	View
1068	2-methylbenzene-1,4-diol	1.86	View
1069	3-(hydroxymethyl)phenol	-1.03	View
1070	3-methoxyphenol	-0.25	View
1071	3-methylbenzene-1,2-diol	0.34	View
1072	4,6-dimethyl-2H-pyran-2-one	-0.93	View
1073	4-methoxyphenol	-0.14	View
1074	4-methylbenzene-1,2-diol	0.43	View
1075	5-methylbenzene-1,3-diol hydrate	-0.39	View
1076	prop-2-yn-1-yl 2-methylprop-2-enoate	-0.37	View
1077	2-hydroxybenzohydrazide	0.18	View
1078	2-methyl-4-nitroaniline	0.49	View
1079	4-methyl-2-nitroaniline	0.37	View
1080	2-methoxybenzene-1,4-diol	2.2	View
1081	(methylsulfanyl)benzene	0.18	View
1082	phenylthiourea	0.61	View
1083	ethyl thiophene-2-carboxylate	0.03	View
1084	2,4-dimethylpyridine	-0.65	View
1085	2,6-dimethylpyridine	-0.81	View
1086	2-ethylpyridine	-0.87	View
1087	2-methylaniline	-0.36	View
1088	3,4-dimethylpyridine	-0.49	View
1089	3-methylaniline	-0.35	View
1090	4-ethylpyridine	-0.38	View
1091	4-methylaniline	-0.1	View
1092	N-methylaniline	0.06	View
1093	phenylmethanamine	-0.25	View
1094	(2-aminophenyl)methanol	-1.07	View
1095	(3-aminophenyl)methanol	-1.13	View
1096	1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one	-0.69	View
1097	1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one	-1	View
1098	2-amino-4-methylphenol	0.29	View
1099	2-methoxyaniline	-0.08	View
1100	3-amino-2-methylphenol	-0.55	View
1101	3-methoxyaniline	0.49	View
1102	4-amino-2-methylphenol	1.26	View
1103	4-amino-3-methylphenol	0.96	View
1104	4-methoxyaniline	-0.07	View
1105	5-amino-2-methylphenol	-0.39	View
1106	5-amino-2-methoxyphenol	0.25	View
1107	2-(pyridin-2-yl)ethan-1-amine	-0.74	View
1108	4,6-dimethylpyridin-2-amine	-0.22	View
1109	4-methylbenzene-1,3-diamine	-0.66	View
1110	N,N-dimethylpyridin-2-amine	-0.55	View
1111	N,N-dimethylpyridin-4-amine	-0.63	View
1112	(2E,4E)-hepta-2,4-dienal	0.86	View
1113	ethyl pent-2-ynoate	0.83	View
1114	methyl hex-2-ynoate	0.76	View
1115	prop-2-en-1-yl (2E)-but-2-enoate	-0.48	View
1116	prop-2-en-1-yl 2-methylprop-2-enoate	-0.68	View
1117	N-(prop-2-enamidomethyl)prop-2-enamide	-0.51	View
1118	1,3-dimethyl 2-ethylidenepropanedioate	0.91	View
1119	1,3-diethyl 2,2-dibromopropanedioate	2.14	View
1120	1,3-diethyl 2-oxopropanedioate	-0.38	View
1121	butyl 2-cyanoacetate	-0.61	View
1122	ethyl (3R)-4-cyano-3-hydroxybutanoate	-1.64	View
1123	1,3-diethyl 2-bromopropanedioate	2.21	View
1124	1,3-diethyl 2-chloropropanedioate	0.63	View
1125	isothiocyanatocyclohexane	1.62	View
1126	7-bromoheptanenitrile	0.51	View
1127	7-chloroheptanenitrile	0.29	View
1128	2-methylcyclohexan-1-one	-0.81	View
1129	2-methylidenehexanal	1.07	View
1130	3-methylhex-1-yn-3-ol	-0.9	View
1131	5-methylhex-1-yn-3-ol	0.62	View
1132	5-methylhex-5-en-2-one	-0.91	View
1133	hept-1-yn-3-ol	0.77	View
1134	hept-2-enal	1.05	View
1135	hept-2-yn-1-ol	-0.19	View
1136	hept-3-en-2-one	0.7	View
1137	hept-3-yn-1-ol	-0.32	View
1138	hept-4-yn-2-ol	-0.62	View
1139	hept-4-yn-3-ol	-0.03	View
1140	2,4-dibromo-2,4-dimethylpentan-3-one	0.51	View
1141	2-methylpropyl prop-2-enoate	0.29	View
1142	butyl prop-2-enoate	0.52	View
1143	ethyl (2E)-2-methylbut-2-enoate	-0.5	View
1144	ethyl 3-methylbut-2-enoate	-0.48	View
1145	heptane-2,3-dione	0.04	View
1146	heptane-3,5-dione	-0.38	View
1147	methyl (2E)-2-methylpent-2-enoate	-0.38	View
1148	prop-2-en-1-yl butanoate	-0.64	View
1149	propan-2-yl (2E)-but-2-enoate	-0.78	View
1150	propan-2-yl 2-methylprop-2-enoate	-0.88	View
1151	propyl 2-methylprop-2-enoate	-0.66	View
1152	tert-butyl prop-2-enoate	-0.19	View
1153	ethyl 4-oxopentanoate	-1.4	View
1154	1,3-diethyl propanedioate	-1.01	View
1155	1,5-dimethyl pentanedioate	-1.17	View
1156	3,3-dimethylpentanedioic acid	-0.66	View
1157	heptanedioic acid	-0.58	View
1158	heptanenitrile	-0.24	View
1159	heptanoyl chloride	0.46	View
1160	5-bromopentyl acetate	0.29	View
1161	ethyl 2-bromo-3-methylbutanoate	0.02	View
1162	ethyl 2-bromopentanoate	0.7	View
1163	ethyl 5-bromopentanoate	0.22	View
1164	5-chloropentyl acetate	-0.13	View
1165	1-isothiocyanatohexane	1.75	View
1166	(2E)-hept-2-en-1-ol	0.05	View
1167	5-methylhexan-2-one	-0.7	View
1168	heptan-2-one	-0.63	View
1169	heptan-4-one	-0.76	View
1170	heptanal	-0.05	View
1171	2-methylpropyl propanoate	-0.67	View
1172	butyl propanoate	0.17	View
1173	ethyl 2-methylbutanoate	-0.89	View
1174	ethyl 3-methylbutanoate	-0.72	View
1175	ethyl pentanoate	-0.36	View
1176	heptanoic acid	-0.11	View
1177	hexyl formate	-0.38	View
1178	methyl hexanoate	-0.56	View
1179	pentyl acetate	0.16	View
1180	propyl butanoate	-0.41	View
1181	tert-butyl propanoate	-0.41	View
1182	1-bromoheptane	1.49	View
1183	1-chloroheptane	1.36	View
1184	N-(heptan-2-ylidene)hydroxylamine	0.1	View
1185	2,4-dimethylpentan-3-ol	-0.71	View
1186	heptan-1-ol	0.06	View
1187	heptan-2-ol	-0.47	View
1188	heptan-3-ol	-0.49	View
1189	heptane-1-thiol	1.02	View
1190	hexylthiourea	0.86	View
1191	heptan-1-amine	0.16	View
1192	tetrafluorobenzene-1,4-dicarbonitrile	2.55	View
1193	3-chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde	1.48	View
1194	benzene-1,2-dicarbonitrile	-0.34	View
1195	2-(furan-2-ylmethylidene)propanedinitrile	0.94	View
1196	3,6-dihydroxybenzene-1,2-dicarbonitrile	-0.44	View
1197	1,4-diisothiocyanatobenzene	3.34	View
1198	1-(2,3,4-trichlorophenyl)ethan-1-one	1.34	View
1199	2,2,2-trifluoro-1-phenylethan-1-one	-0.01	View
1200	3-formylbenzonitrile	-0.02	View
1201	4-formylbenzonitrile	0.04	View
1202	benzoyl cyanide	0.31	View
1203	benzoyl isothiocyanate	0.1	View
1204	ethynylbenzene	-0.14	View
1205	2-(4-bromophenyl)acetonitrile	0.6	View
1206	2-(4-chlorophenyl)acetonitrile	0.66	View
1207	2-chloro-6-methylbenzonitrile	0.46	View
1208	phthalazine	-0.34	View
1209	quinazoline	-0.29	View
1210	quinoxaline	-0.29	View
1211	1-benzofuran	-0.1	View
1212	1-(2,4-dichlorophenyl)ethan-1-one	0.62	View
1213	6-chloro-2-fluoro-3-methylbenzaldehyde	0.99	View
1214	2-cyanobenzamide	-0.32	View
1215	4-cyanobenzamide	-0.38	View
1216	benzene-1,3-dicarbaldehyde	0.18	View
1217	benzene-1,4-dicarbaldehyde	-0.09	View
1218	methyl 2,5-dichlorobenzoate	0.81	View
1219	2-(4-nitrophenyl)acetonitrile	0.13	View
1220	5-nitro-1H-indole	1.08	View
1221	4-nitrophenyl 2-bromoacetate	1.81	View
1222	methyl 4-chloro-2-nitrobenzoate	0.82	View
1223	1-benzothiophene	0.3	View
1224	2-(thiophen-2-yl)thiophene	1.04	View
1225	3-(thiophen-3-yl)thiophene	1	View
1226	1H-indole	0.21	View
1227	2-methylbenzonitrile	-0.24	View
1228	2-phenylacetonitrile	-0.36	View
1229	3-methylbenzonitrile	-0.25	View
1230	4-methylbenzonitrile	-0.1	View
1231	1-(4-bromophenyl)ethan-1-one	0.4	View
1232	2-bromo-1-phenylethan-1-one	2.82	View
1233	2-(4-hydroxyphenyl)acetonitrile	-0.38	View
1234	3-methoxybenzonitrile	0.03	View
1235	4-methoxybenzonitrile	0.1	View
1236	methyl 4-bromobenzoate	0.63	View
1237	phenyl 2-bromoacetate	2.08	View
1238	methyl 4-chlorobenzoate	0.42	View
1239	1-(5-fluoro-2-hydroxyphenyl)ethan-1-one	0.04	View
1240	4-hydroxy-3-methoxybenzonitrile	-0.03	View
1241	3-bromo-4-hydroxy-5-methoxybenzaldehyde	0.62	View
1242	2-chloro-1-(3,4-dihydroxyphenyl)ethan-1-one	1.47	View
1243	2-chloro-3-hydroxy-4-methoxybenzaldehyde	0.2	View
1244	1-(3-nitrophenyl)ethan-1-one	0.32	View
1245	methyl 4-nitrobenzoate	0.55	View
1246	2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide	0.87	View
1247	(benzylsulfanyl)carbonitrile	1.05	View
1248	(isothiocyanatomethyl)benzene	2.74	View
1249	ethenylbenzene	-0.02	View
1250	1H-indol-5-amine	-0.06	View
1251	2-(4-aminophenyl)acetonitrile	-0.76	View
1252	1-phenylethan-1-one	-0.47	View
1253	2-methylbenzaldehyde	0	View
1254	2-phenylacetaldehyde	0.87	View
1255	3-methylbenzaldehyde	0.08	View
1256	4-methylbenzaldehyde	-0.06	View
1257	2-hydroxy-4,6-dimethylpyridine-3-carbonitrile	-0.7	View
1258	1-(2-hydroxyphenyl)ethan-1-one	0.08	View
1259	1-(3-hydroxyphenyl)ethan-1-one	-0.38	View
1260	1-(4-hydroxyphenyl)ethan-1-one	-0.2	View
1261	2,5-dimethylcyclohexa-2,5-diene-1,4-dione	2.16	View
1262	2,6-dimethylcyclohexa-2,5-diene-1,4-dione	2.24	View
1263	2-methoxybenzaldehyde	0.15	View
1264	3-methoxybenzaldehyde	0.23	View
1265	3-methylbenzoic acid	0.12	View
1266	4-methoxybenzaldehyde	-0.05	View
1267	4-methylbenzoic acid	-0.22	View
1268	methyl benzoate	-0.23	View
1269	phenyl acetate	-0.23	View
1270	1-(2,4-dihydroxyphenyl)ethan-1-one	0.25	View
1271	1-(2,5-dihydroxyphenyl)ethan-1-one	0.36	View
1272	2-(4-hydroxyphenyl)acetic acid	-1.5	View
1273	2-hydroxy-3-methoxybenzaldehyde	0.38	View
1274	3-hydroxy-4-methoxybenzaldehyde	-0.14	View
1275	4-hydroxy-3-methoxybenzaldehyde	-0.03	View
1276	methyl 3-hydroxybenzoate	-0.05	View
1277	methyl 4-hydroxybenzoate	0.08	View
1278	2,5-dimethoxycyclohexa-2,5-diene-1,4-dione	1.52	View
1279	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione	1.99	View
1280	methyl 2,4-dihydroxybenzoate	0.61	View
1281	methyl 2,5-dihydroxybenzoate	0.51	View
1282	methyl 3,5-dihydroxybenzoate	-0.14	View
1283	(ethenylsulfanyl)benzene	0.42	View
1284	(ethenesulfinyl)benzene	0.16	View
1285	(ethenesulfonyl)benzene	1.28	View
1286	(1-bromoethyl)benzene	-0.67	View
1287	(2-bromoethyl)benzene	0.42	View
1288	1-bromo-4-ethylbenzene	0.67	View
1289	(2-chloroethyl)benzene	0.17	View
1290	2,3-dihydro-1H-indole	-0.31	View
1291	4-bromo-2,6-dimethylphenol	1.22	View
1292	4-bromo-3,5-dimethylphenol	1.27	View
1293	2-(4-chlorophenyl)ethan-1-ol	0.32	View
1294	2-chloro-4,5-dimethylphenol	0.69	View
1295	4-chloro-3,5-dimethylphenol	1.2	View
1296	4-chloro-3-ethylphenol	1.08	View
1297	1-(3-aminophenyl)ethan-1-one	-0.82	View
1298	1-(4-aminophenyl)ethan-1-one	-0.47	View
1299	2-methylbenzamide	-0.95	View
1300	N-phenylacetamide	-0.62	View
1301	1,2-dimethyl-3-nitrobenzene	0.56	View
1302	1,2-dimethyl-4-nitrobenzene	0.59	View
1303	1,3-dimethyl-2-nitrobenzene	0.3	View
1304	1-ethyl-4-nitrobenzene	0.62	View
1305	2-phenoxyacetamide	-0.73	View
1306	N-(3-hydroxyphenyl)acetamide	-0.16	View
1307	N-(4-hydroxyphenyl)acetamide	-0.82	View
1308	ethyl pyridine-2-carboxylate	-0.92	View
1309	methyl 4-aminobenzoate	0.46	View
1310	1-ethoxy-4-nitrobenzene	0.83	View
1311	[(2-bromoethyl)sulfanyl]benzene	0.39	View
1312	N-phenylethanethioamide	-0.01	View
1313	1,4-dimethylbenzene	0.19	View
1314	2-(4-chlorophenyl)ethan-1-amine	0.14	View
1315	(2-methylphenyl)methanol	-0.43	View
1316	(3-methylphenyl)methanol	-0.24	View
1317	(4-methylphenyl)methanol	-0.49	View
1318	1-methoxy-4-methylbenzene	0.07	View
1319	1-phenylethan-1-ol	-0.74	View
1320	2,3-dimethylphenol	0.12	View
1321	2,4-dimethylphenol	0.06	View
1322	2,5-dimethylphenol	0.08	View
1323	2,6-dimethylphenol	-0.08	View
1324	2-ethylphenol	0.17	View
1325	2-phenylethan-1-ol	-0.69	View
1326	3,4-dimethylphenol	0.12	View
1327	3,5-dimethylphenol	0.12	View
1328	3-ethylphenol	0.26	View
1329	4-ethylphenol	0.21	View
1330	ethoxybenzene	-0.14	View
1331	2-phenylacetohydrazide	-0.48	View
1332	2,3-dimethylbenzene-1,4-diol	1.41	View
1333	2-ethoxyphenol	-0.36	View
1334	4-(2-hydroxyethyl)phenol	-0.83	View
1335	4-ethoxyphenol	0.01	View
1336	4-ethylbenzene-1,3-diol	0.57	View
1337	4,5-dimethyl-2-nitroaniline	0.48	View
1338	2,6-dimethoxyphenol	-0.6	View
1339	3,5-dimethoxyphenol	-0.09	View
1340	3-(2-hydroxyethoxy)phenol	-0.87	View
1341	4-(hydroxymethyl)-2-methoxyphenol	-0.7	View
1342	5-(hydroxymethyl)-2-methoxyphenol	-0.99	View
1343	4-ethoxy-2-nitroaniline	0.76	View
1344	1,4-diethyl but-2-ynedioate	2.44	View
1345	2,6-dimethoxybenzene-1,4-diol	1.72	View
1346	(ethylsulfanyl)benzene	0.3	View
1347	benzylthiourea	0.66	View
1348	(ethanesulfonyl)benzene	-0.77	View
1349	ethyl 2-(thiophen-2-yl)acetate	0.27	View
1350	(4-methylphenyl)methanamine	-0.01	View
1351	1-phenylethan-1-amine	-0.18	View
1352	2,3-dimethylaniline	-0.43	View
1353	2,4-dimethylaniline	-0.31	View
1354	2,5-dimethylaniline	-0.34	View
1355	2,6-dimethylaniline	-0.43	View
1356	2-ethylaniline	-0.27	View
1357	2-phenylethan-1-amine	0.12	View
1358	3,4-dimethylaniline	-0.23	View
1359	3,5-dimethylaniline	-0.37	View
1360	3-ethylaniline	-0.08	View
1361	4-ethylaniline	0.04	View
1362	5-ethyl-2-methylpyridine	-0.2	View
1363	N,N-dimethylaniline	0.27	View
1364	N-ethylaniline	0.05	View
1365	1-(diaminomethylidene)-2-phenylguanidine	-0.39	View
1366	1-(2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one	-0.32	View
1367	2-amino-4,6-dimethylphenol	0.89	View
1368	3-(pyridin-3-yl)propan-1-ol	-0.84	View
1369	4-amino-2,3-dimethylphenol	1.44	View
1370	4-(aminomethyl)-2-methoxyphenol hydrochloride	-0.97	View
1371	octanedinitrile	-0.77	View
1372	2-butylfuran	0.44	View
1373	oct-2-ynal	1.81	View
1374	2-[(dimethylamino)methyl]pyridin-3-ol	-1.26	View
1375	cyclohex-1-en-1-yl acetate	-0.4	View
1376	ethyl hex-2-ynoate	0.7	View
1377	oct-2-ynoic acid	-0.06	View
1378	1,4-diethyl (2E)-but-2-enedioate	1.09	View
1379	3-butylthiophene	0.96	View
1380	1,6-diisothiocyanatohexane	3.52	View
1381	pentyl 2-cyanoacetate	-0.31	View
1382	(2E)-oct-2-enal	1.2	View
1383	3,5-dimethylhex-1-yn-3-ol	-0.55	View
1384	4-methylhept-1-yn-3-ol	0.74	View
1385	4-methylhept-2-yn-4-ol	-0.48	View
1386	6-methylhept-5-en-2-one	-0.45	View
1387	oct-1-en-3-one	1.92	View
1388	oct-2-en-4-one	1.01	View
1389	oct-2-yn-1-ol	0.19	View
1390	oct-3-en-2-one	0.74	View
1391	oct-3-yn-1-ol	-0.02	View
1392	oct-5-yn-3-ol	-0.38	View
1393	2,5-dimethylhex-3-yne-2,5-diol	-1.58	View
1394	2-methylpropyl (2E)-but-2-enoate	-0.34	View
1395	2-methylpropyl 2-methylprop-2-enoate	-0.28	View
1396	3-methylbutyl prop-2-enoate	0.41	View
1397	5-butyloxolan-2-one	-0.38	View
1398	butan-2-yl (2E)-but-2-enoate	-0.42	View
1399	butyl (2E)-but-2-enoate	-0.16	View
1400	butyl 2-methylprop-2-enoate	-0.27	View
1401	ethenyl hexanoate	0.08	View
1402	oct-2-enoic acid	0.21	View
1403	octane-2,4-dione	0.13	View
1404	pentyl prop-2-enoate	0.54	View
1405	tert-butyl (2E)-but-2-enoate	-0.64	View
1406	2-ethoxyethyl 2-methylprop-2-enoate	-0.78	View
1407	1,3-diethyl 2-methylpropanedioate	-0.51	View
1408	1,4-diethyl butanedioate	-0.85	View
1409	octanedioic acid	-0.51	View
1410	octanenitrile	0.28	View
1411	octanoyl chloride	0.41	View
1412	2-bromooctanoic acid	0.49	View
1413	8-bromooctanoic acid	1.32	View
1414	ethyl 2-bromohexanoate	0.86	View
1415	ethyl 6-bromohexanoate	0.59	View
1416	1-isothiocyanatoheptane	2.28	View
1417	(2E)-oct-2-en-1-ol	0.35	View
1418	2-ethylhexanal	0.16	View
1419	octan-2-one	-0.23	View
1420	octanal	0.43	View
1421	2-ethylbutyl acetate	-0.12	View
1422	2-ethylhexanoic acid	0.08	View
1423	2-methylpropyl 2-methylpropanoate	-0.59	View
1424	2-propylpentanoic acid	0.03	View
1425	butyl butanoate	0.52	View
1426	ethyl hexanoate	-0.06	View
1427	hexyl acetate	-0.02	View
1428	methyl heptanoate	0.1	View
1429	octanoic acid	0.08	View
1430	pentyl propanoate	-0.04	View
1431	propyl pentanoate	0.01	View
1432	1-bromooctane	1.87	View
1433	1-chlorooctane	0.67	View
1434	8-bromooctan-1-ol	1.04	View
1435	8-chlorooctan-1-ol	0.49	View
1436	2-ethylhexan-1-ol	0.17	View
1437	2-propylpentan-1-ol	0.13	View
1438	octan-1-ol	0.65	View
1439	octan-2-ol	-0.01	View
1440	octan-3-ol	-0.01	View
1441	1-(butylsulfanyl)butane	1.04	View
1442	1-(butane-1-sulfinyl)butane	-0.26	View
1443	1-(butane-1-sulfonyl)butane	-0.26	View
1444	dibutyl sulfate	0.62	View
1445	octane-1,8-dithiol	1.19	View
1446	octan-1-amine	0.45	View
1447	octan-2-amine	0.4	View
1448	3-phenylprop-2-ynal	1.68	View
1449	5-nitroquinoline	0.39	View
1450	6-nitroquinoline	0.46	View
1451	8-nitroquinoline	0.08	View
1452	(2E)-3-phenylprop-2-enenitrile	0.16	View
1453	isoquinoline	0	View
1454	quinoline	0.07	View
1455	2-chloro-3-phenylprop-2-enal	1.73	View
1456	4-acetylbenzonitrile	-0.37	View
1457	methyl 4-cyanobenzoate	-0.06	View
1458	6-nitroquinolin-5-amine	0.92	View
1459	prop-1-yn-1-ylbenzene	0.19	View
1460	2-methylquinoxaline	0.02	View
1461	quinolin-3-amine	-0.07	View
1462	quinolin-5-amine	-0.21	View
1463	(2E)-3-phenylprop-2-enal	0.68	View
1464	2-methyl-1-benzofuran	0.62	View
1465	3-phenylprop-2-yn-1-ol	0.07	View
1466	ethenyl benzoate	0.08	View
1467	methyl 4-formylbenzoate	0.3	View
1468	(prop-2-yn-1-ylsulfanyl)benzene	0.54	View
1469	2-phenylpropanenitrile	0.01	View
1470	3-methyl-1H-indole	0.37	View
1471	3-phenylpropanenitrile	-0.16	View
1472	N-phenylprop-2-enamide	0.12	View
1473	ethyl 4-bromobenzoate	1.33	View
1474	ethyl 4-chlorobenzoate	0.75	View
1475	ethyl 4-fluorobenzoate	0.01	View
1476	ethyl 4-iodobenzoate	1.53	View
1477	2-(N-hydroxyimino)-1-phenylpropan-1-one	-0.04	View
1478	N-(4-formylphenyl)acetamide	-0.22	View
1479	5-acetyl-2-hydroxybenzamide	-0.1	View
1480	ethyl 4-nitrobenzoate	0.71	View
1481	(1-isothiocyanatoethyl)benzene	2.71	View
1482	(2-isothiocyanatoethyl)benzene	2.54	View
1483	1-isothiocyanato-3,5-dimethylbenzene	1.88	View
1484	2-isothiocyanato-1,3-dimethylbenzene	1.49	View
1485	prop-2-en-1-ylbenzene	0.19	View
1486	1-phenylpropan-1-one	-0.07	View
1487	2,3-dihydro-1H-inden-1-ol	-0.58	View
1488	2,3-dihydro-1H-inden-2-ol	-0.69	View
1489	2-(prop-2-en-1-yl)phenol	0.34	View
1490	3-phenylprop-2-en-1-ol	-0.08	View
1491	4-ethylbenzaldehyde	0.29	View
1492	1-(2-hydroxy-5-methylphenyl)ethan-1-one	0.31	View
1493	1-(4-hydroxy-2-methylphenyl)ethan-1-one	0.19	View
1494	1-(4-hydroxyphenyl)propan-1-one	0.09	View
1495	1-(4-methoxyphenyl)ethan-1-one	-0.13	View
1496	4-ethoxybenzaldehyde	0.07	View
1497	ethyl benzoate	0	View
1498	methyl 2-phenylacetate	-0.4	View
1499	methyl 4-methylbenzoate	0.23	View
1500	1-(2-hydroxy-4-methoxyphenyl)ethan-1-one	0.55	View
1501	1-(4-hydroxy-3-methoxyphenyl)ethan-1-one	-0.12	View
1502	2,4-dimethoxybenzaldehyde	-0.06	View
1503	3-ethoxy-2-hydroxybenzaldehyde	0.85	View
1504	3-ethoxy-4-hydroxybenzaldehyde	0.02	View
1505	ethyl 3-hydroxybenzoate	0.48	View
1506	ethyl 4-hydroxybenzoate	0.57	View
1507	methyl 2-phenoxyacetate	-0.21	View
1508	methyl 4-methoxybenzoate	0.31	View
1509	2-hydroxy-4,6-dimethoxybenzaldehyde	0.62	View
1510	2-hydroxyethyl 2-hydroxybenzoate	-0.08	View
1511	3-hydroxy-4,5-dimethoxybenzaldehyde	-0.39	View
1512	4-hydroxy-3,5-dimethoxybenzaldehyde	0.17	View
1513	ethyl 3,4-dihydroxybenzoate	0.77	View
1514	methyl 2-hydroxy-4-methoxybenzoate	0.62	View
1515	(prop-2-en-1-ylsulfanyl)benzene	0.69	View
1516	(prop-2-ene-1-sulfonyl)benzene	0.31	View
1517	(3-bromopropyl)benzene	0.69	View
1518	1-bromo-4-(propan-2-yl)benzene	0.85	View
1519	(3-chloropropyl)benzene	0.5	View
1520	1,2,3,4-tetrahydroquinoline	0.26	View
1521	4-(dimethylamino)benzaldehyde	0.23	View
1522	1,3,5-trimethyl-2-nitrobenzene	0.86	View
1523	ethyl 2-(pyridin-2-yl)acetate	-0.92	View
1524	ethyl 2-(pyridin-3-yl)acetate	-0.94	View
1525	ethyl 2-aminobenzoate	0.33	View
1526	ethyl 3-aminobenzoate	-0.12	View
1527	ethyl 4-aminobenzoate	0.66	View
1528	methyl 4-(methylamino)benzoate	0.31	View
1529	1,2,4-trimethylbenzene	0.78	View
1530	propan-2-ylbenzene	0.69	View
1531	(4-ethylphenyl)methanol	0.07	View
1532	1-phenylpropan-1-ol	-0.43	View
1533	1-phenylpropan-2-ol	-0.62	View
1534	2,3,5-trimethylphenol	0.36	View
1535	2,3,6-trimethylphenol	0.35	View
1536	2,4,6-trimethylphenol	0.35	View
1537	2-(4-methylphenyl)ethan-1-ol	-0.26	View
1538	2-(propan-2-yl)phenol	0.71	View
1539	2-phenylpropan-1-ol	-0.4	View
1540	2-phenylpropan-2-ol	-0.58	View
1541	3,4,5-trimethylphenol	0.93	View
1542	3-(propan-2-yl)phenol	0.61	View
1543	3-phenylpropan-1-ol	-0.24	View
1544	4-(propan-2-yl)phenol	0.47	View
1545	4-propylphenol	0.64	View
1546	2,3,5-trimethylbenzene-1,4-diol	1.34	View
1547	2-propylbenzene-1,3-diol	0.22	View
1548	4-propoxyphenol	0.52	View
1549	3-ethoxy-4-methoxyphenol	-0.3	View
1550	4-(2-hydroxyethyl)-2-methoxyphenol	-0.18	View
1551	(propylsulfanyl)benzene	0.86	View
1552	2,4,6-trimethylaniline	-0.05	View
1553	2-(4-methylphenyl)ethan-1-amine	-0.04	View
1554	2-(propan-2-yl)aniline	0.11	View
1555	2-phenylpropan-1-amine	-0.28	View
1556	2-propylaniline	0.07	View
1557	3-phenylpropan-1-amine	0.28	View
1558	4-(propan-2-yl)aniline	0.22	View
1559	4-propylaniline	0.51	View
1560	4-tert-butylpyridine	0.18	View
1561	N-ethyl-N-methylaniline	0.29	View
1562	benzyl(ethyl)amine	0.22	View
1563	benzyldimethylamine	0.1	View
1564	methyl(2-phenylethyl)amine	-0.41	View
1565	cyclohexyl 2-cyanoacetate	-0.09	View
1566	(2E,4E)-nona-2,4-dienal	1.23	View
1567	(2E,6Z)-nona-2,6-dienal	1.34	View
1568	2,4-dimethylhepta-2,6-dienal	0.08	View
1569	2-pentylfuran	0.92	View
1570	cyclohexyl prop-2-enoate	0.76	View
1571	ethyl hept-2-ynoate	1.11	View
1572	methyl oct-2-ynoate	1.04	View
1573	non-2-ynoic acid	0.71	View
1574	1,3-diethyl 2-ethylidenepropanedioate	1.13	View
1575	1,5-diethyl 2-oxopentanedioate	-0.66	View
1576	1,5-diethyl 3-oxopentanedioate	-0.31	View
1577	2-pentylthiophene	1.2	View
1578	1,3-diethyl 2-acetamidopropanedioate	-1.2	View
1579	2-methyloct-5-yn-4-ol	0.4	View
1580	non-2-enal	1.6	View
1581	non-2-yn-1-ol	0.65	View
1582	non-3-en-2-one	0.98	View
1583	non-3-yn-1-ol	0.34	View
1584	non-5-yn-3-ol	-0.04	View
1585	(2E)-non-2-enoic acid	0.6	View
1586	5-pentyloxolan-2-one	0.01	View
1587	hexyl prop-2-enoate	0.73	View
1588	methyl (2E)-oct-2-enoate	0.77	View
1589	nonane-2,4-dione	0.51	View
1590	prop-2-en-1-yl hexanoate	0.21	View
1591	1,3-diethyl 2-ethylpropanedioate	-0.24	View
1592	ethyl 3,3-diethoxyprop-2-enoate	-0.65	View
1593	nonanenitrile	0.62	View
1594	1-isothiocyanatooctane	2.24	View
1595	2-isothiocyanato-2,4,4-trimethylpentane	1.54	View
1596	2-isothiocyanatooctane	1.85	View
1597	(2E)-non-2-en-1-ol	0.75	View
1598	(2Z)-non-2-en-1-ol	0.77	View
1599	nonan-2-one	0.58	View
1600	nonan-5-one	-0.01	View
1601	nonanal	0.77	View
1602	methyl octanoate	0.53	View
1603	nonanoic acid	0.35	View
1604	3-ethyl-2,2-dimethylpentan-3-ol	-0.17	View
1605	nonan-1-ol	0.81	View
1606	nonan-2-ol	0.62	View
1607	nonan-3-ol	0.36	View
1608	1,3-dibutylthiourea	0.86	View
1609	octylthiourea	1.51	View
1610	nonan-1-amine	1.65	View
1611	2,3-dichloro-1,4-dihydronaphthalene-1,4-dione	3.36	View
1612	2-(phenylmethylidene)propanedinitrile	0.64	View
1613	1,2-dihydronaphthalene-1,2-dione	3.2	View
1614	1,4-dihydronaphthalene-1,4-dione	2	View
1615	2-hydroxy-1,4-dihydronaphthalene-1,4-dione	0.8	View
1616	5-hydroxy-1,4-dihydronaphthalene-1,4-dione	3.33	View
1617	5,8-dihydroxy-1,4-dihydronaphthalene-1,4-dione	2.83	View
1618	2,4-dinitronaphthalen-1-ol	1.74	View
1619	1-bromonaphthalene	1.86	View
1620	1-chloronaphthalene	0.81	View
1621	1-fluoronaphthalene	0.39	View
1622	1-iodonaphthalene	2.17	View
1623	1-nitronaphthalene	1	View
1624	2-nitronaphthalen-1-ol	1.36	View
1625	3-phenylprop-2-enonyl isothiocyanate	0.29	View
1626	naphthalene	0.11	View
1627	4-(pyridin-4-yl)pyridine	0.21	View
1628	naphthalen-1-ol	0.76	View
1629	naphthalen-2-ol	0.79	View
1630	naphthalene-1,5-diol	1.19	View
1631	naphthalene-2,3-diol	1	View
1632	naphthalene-2,7-diol	0.55	View
1633	4-nitronaphthalen-1-amine	1.11	View
1634	2-methylquinoline	0.47	View
1635	naphthalen-1-amine	0.22	View
1636	ethyl 4-cyanobenzoate	0.37	View
1637	1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate	0.43	View
1638	5-isothiocyanato-2,3-dihydro-1H-indene	2.48	View
1639	2,3-dimethylquinoxaline	0.25	View
1640	naphthalene-1,5-diamine	0.54	View
1641	naphthalene-1,8-diamine	0.84	View
1642	naphthalene-2,3-diamine	0.46	View
1643	2-phenylbut-3-yn-2-ol	-0.18	View
1644	1-phenylbutane-1,3-dione	0.57	View
1645	5-phenyloxolan-2-one	-0.05	View
1646	benzyl prop-2-enoate	1.35	View
1647	methyl (2E)-3-phenylprop-2-enoate	0.58	View
1648	1,2-dimethyl benzene-1,2-dicarboxylate	-0.49	View
1649	1,2-dimethyl-1H-indole	0.84	View
1650	4-phenylbutanenitrile	0.15	View
1651	(3-isothiocyanatopropyl)benzene	2.54	View
1652	1-methoxy-4-(prop-2-en-1-yl)benzene	0.64	View
1653	1-phenylbutan-1-one	0.22	View
1654	1-phenylbutan-2-one	-0.21	View
1655	4-(propan-2-yl)benzaldehyde	0.67	View
1656	1-(2-hydroxy-4,5-dimethylphenyl)ethan-1-one	0.71	View
1657	2-methoxy-4-(prop-1-en-1-yl)phenol	0.75	View
1658	2-methoxy-4-(prop-2-en-1-yl)phenol	0.42	View
1659	4-(4-hydroxyphenyl)butan-2-one	-0.5	View
1660	ethyl 4-methylbenzoate	0.68	View
1661	propyl benzoate	0.42	View
1662	tetramethylcyclohexa-2,5-diene-1,4-dione	1.25	View
1663	ethyl 4-methoxybenzoate	0.77	View
1664	methyl 4-ethoxybenzoate	0.58	View
1665	2,4,5-trimethoxybenzaldehyde	-0.1	View
1666	4-tert-butyl-2,6-dinitrophenol	1.8	View
1667	1-bromo-4-tert-butylbenzene	0.75	View
1668	4-chloro-5-methyl-2-(propan-2-yl)phenol	1.86	View
1669	1-butoxy-4-nitrobenzene	1.42	View
1670	butylbenzene	1.25	View
1671	(1R)-1-phenylbutan-1-ol	-0.01	View
1672	(1S)-1-phenylbutan-1-ol	-0.09	View
1673	1-phenylbutan-2-ol	-0.16	View
1674	2-methyl-1-phenylpropan-2-ol	-0.41	View
1675	2-phenylbutan-1-ol	-0.11	View
1676	2-phenylbutan-2-ol	0.06	View
1677	2-tert-butylphenol	1.27	View
1678	3-phenylbutan-1-ol	0.01	View
1679	3-tert-butylphenol	0.74	View
1680	4-(butan-2-yl)phenol	0.98	View
1681	4-phenylbutan-1-ol	-0.01	View
1682	4-tert-butylphenol	0.91	View
1683	[4-(propan-2-yl)phenyl]methanol	0.18	View
1684	4-butoxyphenol	0.7	View
1685	tetramethylbenzene-1,4-diol	1.28	View
1686	4-(prop-2-enoyloxy)butan-2-yl prop-2-enoate	1.14	View
1687	2,6-diethylaniline	0.31	View
1688	4-(butan-2-yl)aniline	0.61	View
1689	4-butylaniline	1.06	View
1690	4-phenylbutan-1-amine	0.62	View
1691	4-tert-butylaniline	0.36	View
1692	N,N-diethylaniline	0.65	View
1693	2-amino-4-tert-butylphenol	0.37	View
1694	4-butoxyaniline	0.61	View
1695	adamantan-1-ol	-0.08	View
1696	ethyl oct-2-ynoate	1.23	View
1697	methyl non-2-ynoate	1.32	View
1698	1,3-diethyl 2-(prop-2-en-1-yl)propanedioate	-0.06	View
1699	1,3-diethyl 2-(propan-2-ylidene)propanedioate	-0.07	View
1700	(2E)-dec-2-enal	1.85	View
1701	(4E)-dec-4-enal	1.21	View
1702	(7Z)-dec-7-enal	0.95	View
1703	1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol	0.15	View
1704	dec-2-yn-1-ol	0.99	View
1705	dec-3-yn-1-ol	1.13	View
1706	5-hexyloxolan-2-one	0.49	View
1707	6-pentyloxan-2-one	-0.08	View
1708	ethenyl 2-ethylhexanoate	1.05	View
1709	ethenyl octanoate	-0.3	View
1710	heptyl prop-2-enoate	1.09	View
1711	hexyl 2-methylprop-2-enoate	1.09	View
1712	methyl non-2-enoate	1.04	View
1713	prop-2-en-1-yl heptanoate	0.73	View
1714	1,3-diethyl 2-propylpropanedioate	0.13	View
1715	1,6-diethyl hexanedioate	-0.18	View
1716	1,8-dimethyl octanedioate	0.3	View
1717	decanedioic acid	-0.27	View
1718	dibutyl oxalate	-0.57	View
1719	ethyl 2-bromooctanoate	1.5	View
1720	1-isothiocyanatononane	2.44	View
1721	dec-2-en-1-ol	1.15	View
1722	decan-2-one	0.5	View
1723	decan-3-one	0.54	View
1724	decanal	1.24	View
1725	decanoic acid	0.51	View
1726	methyl nonanoate	1	View
1727	octyl acetate	1.06	View
1728	1-(pentyloxy)pentane	1.09	View
1729	3,7-dimethyloctan-3-ol	0.34	View
1730	decan-1-ol	1.23	View
1731	decan-2-ol	0.99	View
1732	decan-4-ol	0.85	View
1733	decane-1,10-diol	0.22	View
1734	decane-1,2-diol	0.76	View
1735	decan-1-amine	2	View
1736	3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine	-0.66	View
1737	naphthalene-1-carbonitrile	0.69	View
1738	3-(2-bromoacetyl)-2H-chromen-2-one	2.66	View
1739	1-isothiocyanatonaphthalene	2.14	View
1740	naphthalene-1-carbaldehyde	0.42	View
1741	2-hydroxynaphthalene-1-carbaldehyde	1.32	View
1742	2-methyl-1,4-dihydronaphthalene-1,4-dione	1.54	View
1743	4-hydroxynaphthalene-1-carbaldehyde	1.05	View
1744	naphthalene-1-carboxylic acid	0.4	View
1745	5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione	2.2	View
1746	1-(chloromethyl)naphthalene	0.43	View
1747	2-phenylpyridine	0.29	View
1748	3-phenylpyridine	0.49	View
1749	4-phenylpyridine	0.66	View
1750	2-methyl-1-nitronaphthalene	1.04	View
1751	1-methylnaphthalene	0.74	View
1752	2-methylnaphthalene	1.08	View
1753	1-methoxynaphthalene	0.8	View
1754	2-methylnaphthalen-1-ol	1.25	View
1755	naphthalen-1-ylmethanol	0.13	View
1756	naphthalen-2-ylmethanol	0.39	View
1757	ethyl 3-phenylprop-2-ynoate	1.67	View
1758	2,6-dimethylquinoline	0.68	View
1759	naphthalen-1-ylmethanamine	0.44	View
1760	ethyl 2-cyano-2-phenylacetate	-0.02	View
1761	3-phenylprop-2-en-1-yl acetate	0.59	View
1762	benzyl 2-methylprop-2-enoate	0.65	View
1763	ethyl (2E)-3-phenylprop-2-enoate	0.99	View
1764	(2E)-3-[4-(dimethylamino)phenyl]prop-2-enal	0.52	View
1765	1-(5-acetyl-2,6-dimethylpyridin-3-yl)ethan-1-one	-0.54	View
1766	3,4-diethyl pyridine-3,4-dicarboxylate	-0.13	View
1767	1-butyl-4-isothiocyanatobenzene	2.76	View
1768	1-phenylpentan-1-one	0.56	View
1769	4-cyclopentylphenol	1.29	View
1770	2-methylpropyl benzoate	0.98	View
1771	4-butoxybenzaldehyde	0.72	View
1772	butyl benzoate	0.92	View
1773	butyl 4-hydroxybenzoate	1.33	View
1774	ethyl 2-(4-hydroxy-3-methoxyphenyl)acetate	-0.23	View
1775	pentylbenzene	1.79	View
1776	(4-tert-butylphenyl)methanol	0.48	View
1777	1-phenylpentan-2-ol	0.16	View
1778	2-methyl-4-phenylbutan-2-ol	-0.07	View
1779	2-tert-butyl-4-methylphenol	1.3	View
1780	4-(2-methylbutan-2-yl)phenol	1.23	View
1781	4-pentylphenol	1.58	View
1782	5-phenylpentan-1-ol	0.48	View
1783	4-(pentyloxy)phenol	1.36	View
1784	5-pentylbenzene-1,3-diol	1.31	View
1785	4-pentylaniline	1.69	View
1786	4-(pentyloxy)aniline	0.97	View
1787	diethyl benzylphosphonate	-0.43	View
1788	ethyl non-2-ynoate	1.37	View
1789	1,7-diethyl 3-oxoheptanedioate	-0.38	View
1790	1,7-diethyl 4-oxoheptanedioate	-0.64	View
1791	2-ethylhexyl 2-cyanoacetate	0.89	View
1792	octyl 2-cyanoacetate	0.9	View
1793	1,3-diethyl 2-butylpropanedioate	0.56	View
1794	1,7-diethyl heptanedioate	0.41	View
1795	undecanenitrile	1.65	View
1796	1-isothiocyanatodecane	2.4	View
1797	(2E)-undec-2-en-1-ol	1.62	View
1798	undecan-2-one	1.45	View
1799	undecanal	1.65	View
1800	methyl decanoate	1.38	View
1801	undecanoic acid	0.9	View
1802	undecan-1-ol	1.97	View
1803	undecan-2-ol	1.58	View
1804	decylthiourea	1.94	View
1805	undecan-1-amine	2.29	View
1806	1,10-phenanthroline	0.1	View
1807	1,7-phenanthroline	1.07	View
1808	4,7-phenanthroline	1.14	View
1809	phenazine	1.4	View
1810	8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene	1.42	View
1811	2,4-dibromo-6-phenylphenol	2.21	View
1812	3-[(4-bromophenyl)carbonyl]pyridine	0.82	View
1813	2-phenylcyclohexa-2,5-diene-1,4-dione	2.83	View
1814	phenoxathiine	2.04	View
1815	1-fluoro-4-phenylbenzene	0.53	View
1816	9H-carbazole	0.92	View
1817	2-bromo-1-(naphthalen-2-yl)ethan-1-one	2.96	View
1818	4-(4-bromophenyl)phenol	2.31	View
1819	4-benzoylpyridine	-0.1	View
1820	1-nitro-2-phenylbenzene	1.3	View
1821	1-nitro-3-phenylbenzene	1.57	View
1822	1-nitro-4-phenoxybenzene	1.58	View
1823	1-(isothiocyanatomethyl)naphthalene	3.05	View
1824	2-ethenylnaphthalene	1.24	View
1825	phenylbenzene	1.05	View
1826	2-methylnaphthalene-1-carbaldehyde	1.23	View
1827	2-phenylphenol	1.09	View
1828	3-phenylphenol	1.35	View
1829	4-methylnaphthalene-1-carbaldehyde	1.12	View
1830	4-phenylphenol	1.39	View
1831	4-(2-phenyldiazen-1-yl)phenol	1.66	View
1832	2-(2-hydroxyphenyl)phenol	0.88	View
1833	2-(naphthalen-1-yl)acetic acid	0.14	View
1834	2-phenylbenzene-1,4-diol	2.01	View
1835	4-phenoxyphenol	1.36	View
1836	naphthalen-1-yl acetate	0.64	View
1837	4-nitro-N-phenylaniline	1.89	View
1838	2-(benzylsulfanyl)-3-nitropyridine	1.72	View
1839	2-benzylpyridine	0.39	View
1840	2-phenylaniline	0.86	View
1841	3-benzylpyridine	0.69	View
1842	3-phenylaniline	0.78	View
1843	4-benzylpyridine	0.66	View
1844	4-phenylaniline	0.9	View
1845	4-(2-phenyldiazen-1-yl)aniline	1.42	View
1846	3-(phenylamino)phenol	1.01	View
1847	4-phenoxyaniline	0.98	View
1848	1-benzylpyridin-1-ium-3-sulfonate	-1.5	View
1849	1,2-dimethylnaphthalene	1.31	View
1850	1,4-dimethylnaphthalene	1.43	View
1851	1-ethylnaphthalene	0.89	View
1852	4-[2-(pyridin-4-yl)ethyl]pyridine	-0.03	View
1853	1-ethoxynaphthalene	1.25	View
1854	2-(naphthalen-1-yl)ethan-1-ol	0.27	View
1855	2-(naphthalen-2-yl)ethan-1-ol	0.49	View
1856	1-(naphthalen-1-yl)ethan-1-amine	0.54	View
1857	N,N-dimethylnaphthalen-1-amine	0.86	View
1858	propyl (2E)-3-phenylprop-2-enoate	1.23	View
1859	1,2-diethyl benzene-1,2-dicarboxylate	0.16	View
1860	1-phenylhexan-1-one	1.19	View
1861	4-cyclohexylphenol	1.56	View
1862	4-(pentyloxy)benzaldehyde	1.18	View
1863	methyl 4-tert-butylbenzoate	0.92	View
1864	pentyl benzoate	1.37	View
1865	3-methylbutyl 4-hydroxybenzoate	1.48	View
1866	4-cyclohexylaniline	1.09	View
1867	2-tert-butyl-4,6-dimethylphenol	1.2	View
1868	6-phenylhexan-1-ol	0.87	View
1869	4-(hexyloxy)phenol	1.64	View
1870	4-hexylbenzene-1,3-diol	1.8	View
1871	1,4-di-tert-butyl but-2-ynedioate	2.3	View
1872	2,6-bis(propan-2-yl)aniline	0.77	View
1873	4-hexylaniline	2.04	View
1874	4-(hexyloxy)aniline	1.38	View
1875	(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate	0.68	View
1876	1,4-dibutyl (2E)-but-2-enedioate	1.48	View
1877	1,4-dibutyl (2Z)-but-2-enedioate	1.01	View
1878	2-ethylhexyl 2-methylprop-2-enoate	1.57	View
1879	1,10-dimethyl decanedioate	1.01	View
1880	1,4-dibutyl butanedioate	0.51	View
1881	1,8-diethyl octanedioate	0.7	View
1882	dodecanedioic acid	-0.09	View
1883	dodecanenitrile	1.9	View
1884	dodec-2-en-1-ol	2.08	View
1885	dodecan-2-one	1.59	View
1886	dodecanal	1.72	View
1887	decyl acetate	1.88	View
1888	dodecanoic acid	1.42	View
1889	dodecan-1-ol	2.12	View
1890	dodecan-2-ol	1.66	View
1891	dodecan-4-ol	1.65	View
1892	3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol	3.04	View
1893	4-phenylbenzonitrile	1.24	View
1894	acridine	1.39	View
1895	benzo[h]quinoline	1.31	View
1896	phenanthridine	1.4	View
1897	(4-bromophenyl)(phenyl)methanone	1.5	View
1898	(3-chlorophenyl)(phenyl)methanone	1.55	View
1899	(4-chlorophenyl)(phenyl)methanone	1.51	View
1900	(2-fluorophenyl)(phenyl)methanone	1.04	View
1901	4-phenylbenzaldehyde	1.12	View
1902	diphenylmethanone	0.87	View
1903	2-benzoylphenol	1.23	View
1904	4-benzoylphenol	1.02	View
1905	4-phenoxybenzaldehyde	1.26	View
1906	4-phenylbenzoic acid	0.98	View
1907	phenyl benzoate	1.35	View
1908	4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol	3.09	View
1909	2-[(2-hydroxyphenyl)carbonyl]phenol	1.16	View
1910	3-hydroxyphenyl benzoate	1.11	View
1911	4-benzoylbenzene-1,3-diol	1.37	View
1912	phenyl 4-hydroxybenzoate	1.37	View
1913	4-benzoylbenzene-1,2,3-triol	0.88	View
1914	4-[(2,4-dihydroxyphenyl)carbonyl]benzene-1,3-diol	0.96	View
1915	4-benzoylaniline	0.68	View
1916	phenyl 4-amino-2-hydroxybenzoate	1.41	View
1917	1-methyl-4-phenylbenzene	1.66	View
1918	(2-phenylphenyl)methanol	0.82	View
1919	(4-phenylphenyl)methanol	0.92	View
1920	2-benzylphenol	1.31	View
1921	4-benzylphenol	1.2	View
1922	diphenylmethanol	0.5	View
1923	4-(benzyloxy)phenol	1.04	View
1924	1,3-diphenylthiourea	0.88	View
1925	N-benzyl-4-methylpyridin-2-amine	0.95	View
1926	butyl (2E)-3-phenylprop-2-enoate	1.53	View
1927	ethenyl 4-tert-butylbenzoate	1.57	View
1928	1-phenylheptan-1-one	1.54	View
1929	2-phenylethyl 3-methylbutanoate	1.1	View
1930	ethyl 4-tert-butylbenzoate	1.42	View
1931	hexyl benzoate	1.94	View
1932	4-(heptyloxy)phenol	2.03	View
1933	decyl 2-cyanoacetate	1.7	View
1934	tridec-2-yn-1-ol	2.33	View
1935	prop-2-en-1-yl decanoate	0.48	View
1936	tridecan-2-one	2.08	View
1937	tridecan-7-one	1.52	View
1938	tridecan-1-ol	2.37	View
1939	tridecan-2-ol	2.17	View
1940	tridecan-6-ol	2.24	View
1941	1,4-dihydroanthracene-1,4-dione	2.97	View
1942	9,10-dihydrophenanthrene-9,10-dione	2.9	View
1943	9H-fluorene-2-carbaldehyde	1.5	View
1944	anthracene-1,2,10-triol	1.34	View
1945	9-ethenyl-9H-carbazole	2.24	View
1946	[isothiocyanato(phenyl)methyl]benzene	3.05	View
1947	(2-methylphenyl)(phenyl)methanone	1.41	View
1948	(4-methylphenyl)(phenyl)methanone	1.4	View
1949	1-(4-phenylphenyl)ethan-1-one	0.92	View
1950	1-(4-hydroxyphenyl)-2-phenylethan-1-one	1.07	View
1951	2-(4-phenylphenyl)acetic acid	0.79	View
1952	benzyl benzoate	1.45	View
1953	2-benzoyl-5-methoxyphenol	1.42	View
1954	benzyl 4-hydroxybenzoate	1.55	View
1955	1-ethyl-4-phenylbenzene	1.97	View
1956	2,2-diphenylethan-1-ol	0.65	View
1957	1,2-dipropyl benzene-1,2-dicarboxylate	0.98	View
1958	1,3-diethyl 2-benzylpropanedioate	0.71	View
1959	1-phenyloctan-1-one	1.88	View
1960	3,5-di-tert-butylphenol	1.64	View
1961	4-(2,4,4-trimethylpentan-2-yl)phenol	2.1	View
1962	3,5-di-tert-butylbenzene-1,2-diol	2.11	View
1963	3,5-di-tert-butylaniline	1.44	View
1964	4-octylaniline	2.38	View
1965	tetradec-3-yn-1-ol	2.45	View
1966	1,10-diethyl decanedioate	1.35	View
1967	1,6-dibutyl hexanedioate	0.79	View
1968	tetradecanedioic acid	0.08	View
1969	tetradecan-1-ol	1.67	View
1970	phenanthrene-9-carbaldehyde	1.71	View
1971	2-phenyl-4H-chromen-4-one	1.41	View
1972	(2E)-1,3-diphenylprop-2-en-1-one	1.51	View
1973	2-[(2,3-dimethylphenyl)amino]benzoic acid	1.52	View
1974	1,1-diphenylpropan-2-ol	0.75	View
1975	1,2-diphenylpropan-2-ol	0.8	View
1976	3,3-diphenylpropan-1-ol	1.04	View
1977	2-ethylhexyl 4-hydroxybenzoate	2.51	View
1978	2,6-di-tert-butyl-4-methylphenol	1.79	View
1979	4-nonylphenol	2.44	View
1980	2,4,6-tris[(dimethylamino)methyl]phenol	-0.52	View
1981	1,13-dimethyl tridecanedioate	1.65	View
1982	1-phenylnaphthalene	2.04	View
1983	1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate	1.44	View
1984	1,2-dibutyl benzene-1,2-dicarboxylate	1.6	View
1985	nonyl 4-hydroxybenzoate	2.63	View
1986	1,8-dibutyl octanedioate	1.66	View
1987	1,4-dihydrochrysene-1,4-dione	2.08	View
1988	2-bromo-1-(pyren-1-yl)ethan-1-one	2.39	View
1989	2,5-diphenylcyclohexa-2,5-diene-1,4-dione	1.48	View
1990	2,6-diphenylphenol	2.11	View
1991	(diphenylphosphoryl)benzene	0.77	View
1992	triphenyl phosphate	1.81	View
1993	2,4,6-tri-tert-butylphenol	0.36	View
1994	4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one	1.7	View

Bibliography

Belfield, S. J.; Cronin, M. T. D.; Enoch, S. J.; Firman, J. W. Guidance for good practice in the application of machine learning in development of toxicological quantitative structure-activity relationships (QSARs). PLoS One 2023, 18, e0282924. https://doi.org/10.1371/journal.pone.0282924

10967/264 - QDB Compounds

QsarDB Repository

Belfield, S. J.; Cronin, M. T. D.; Enoch, S. J.; Firman, J. W. Guidance for Good Practice in the Application of Machine Learning in Development of Toxicological Quantitative Structure-Activity Relationships (QSARs). PLOS ONE, 2023, 18, e0282924.

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