rdkit/Data/NCI/first_5k.tpsa.csv

1	# TPSA data calculated using Daylight tools and Ertl's contrib program tpsa.c
2	CC1=CC(=O)C=CC1=O,34.14
3	S(SC1=NC2=CC=CC=C2S1)C3=NC4=C(S3)C=CC=C4,25.78
4	OC1=C(Cl)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O,106.51
5	[O-][N+](=O)C1=CNC(=N)S1,82.78
6	NC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O,60.16
7	OC(=O)C1=C(C=CC=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)O)Br,87.74
8	CN(C)C1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O,37.38
9	CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+]([O-])=O,77.28
10	CC(=NO)C(C)=NO,65.18
11	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3,0.00
12	CC(C)(C)C1=C(O)C=C(C(=C1)O)C(C)(C)C,40.46
13	CC1=NN(C(=O)C1)C2=CC=CC=C2,32.67
14	NC1=CC=NC2=C1C=CC(=C2)Cl,38.91
15	CCCCCC[CH]1CCCCN1,12.03
16	O=CC1=C2C=CC=CC2=CC3=C1C=CC=C3,17.07
17	BrN1C(=O)CCC1=O,37.38
18	CCCCCCCCCCCCCCCC1=C(N)C=CC(=C1)O,46.25
19	C(COC1=C(C=CC=C1)C2=CC=CC=C2)OC3=CC=CC=C3C4=CC=CC=C4,18.46
20	CCCCSCC,0.00
21	CC(=O)NC1=NC2=C(C=C1)C(=CC=N2)O,75.11
22	CC1=C2C=CC(=NC2=NC(=C1)O)N,72.03
23	CCOC(=O)C1=CN=C2N=C(N)C=CC2=C1O,98.33
24	CC1=CC(=NC=C1)N=CC2=CC=CC=C2,25.25
25	C[N+](C)(C)CC1=CC=CC=C1,0.00
26	C[N+](C)(C)C(=O)C1=CC=CC=C1,17.07
27	ICCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,0.00
28	CC1=CC(=C(C[N+](C)(C)C)C(=C1)C)C,0.00
29	C[C](O)(CC(O)=O)C1=CC=C(C=C1)[N+]([O-])=O,100.67
30	CC1=CC=C(C=C1)C(=O)C2=CC=C(Cl)C=C2,17.07
31	ON=CC1=CC=C(O)C=C1,52.82
32	CC1=CC(=C(N)C(=C1)C)C,26.02
33	CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+]([O-])=O,60.21
34	CC(O)(C1=CC=CC=C1)C2=CC=CC=C2,20.23
35	ON=CC1=CC(=CC=C1)[N+]([O-])=O,75.73
36	OC1=C2C=CC(=CC2=NC=C1[N+]([O-])=O)Cl,76.26
37	CC1=CC=CC2=NC=C(C)C(=C12)Cl,12.89
38	CCC(CC)([CH](OC(N)=O)C1=CC=CC=C1)C2=CC=CC=C2,52.32
39	ON=C(CC1=CC=CC=C1)[CH](C#N)C2=CC=CC=C2,56.38
40	O[CH](CC1=CC=CC=C1)C2=CC=CC=C2,20.23
41	COC1=CC=C(CC2=CC=C(OC)C=C2)C=C1,18.46
42	CN(C)[CH](C1=CC=CC=C1)C2=C(C)C=CC=C2,3.24
43	COC1=CC(=C(N)C(=C1)[N+]([O-])=O)[N+]([O-])=O,121.53
44	NN=C(C1=CC=CC=C1)C2=CC=CC=C2,38.38
45	COC1=CC=C(C=C1)C=NO,41.82
46	C1=CC=C(C=C1)C(N=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,12.36
47	C1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=CC=CC=C3,12.36
48	CC1=C(C2=CC=CC=C2)C(=C3C=CC=CC3=N1)O,33.12
49	CCC1=[O+][Cu]2([O+]=C(CC)C1)[O+]=C(CC)CC(=[O+]2)CC,45.20
50	OC(=O)[CH](CC1=CC=CC=C1)C2=CC=CC=C2,37.30
51	CCC1=C(N)C=C(C)N=C1,38.91
52	CC1=C(C2=CC=CC=C2)C(=C3C=CC=CC3=N1)OC4=CC=CC=C4,22.12
53	N#C[CH](C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3,23.79
54	C[CH](C#N)N(C)C,27.03
55	CC(=O)[CH]1CC2=C(C=CC=C2)C1=O,34.14
56	O=S(CC1=CC=CC=C1)CC2=CC=CC=C2,17.07
57	C[CH](C1=CC=CC=C1)[C](C)(C#N)C2=CC=CC=C2,23.79
58	CC1=C2CCCCC2=NC(=N1)O,46.01
59	N(C(C1=CC=CC=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,12.03
60	OC1=C2C=CC=CC2=C(N=N1)C3=CC=CC=C3,46.01
61	CC(C)(C(N)=O)C1=CC=CC=C1,43.09
62	OC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,37.30
63	CCC[N+](CCC)(CCC)CC1=CC=CC=C1,0.00
64	CC1=CC(=C(CC(=O)C2=CC=CC=C2)C(=C1)C)C,17.07
65	COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,9.23
66	CCC(CC)(CC)[CH](OC(=O)C1=C(C=CC=C1)C(O)=O)C2=CC=CC=C2,63.60
67	CC(=O)C(CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,17.07
68	O=S(=O)(CC1=CC=CC=C1)CC2=CC=CC=C2,34.14
69	CC(C)(C)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2,26.30
70	N#CC(CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,23.79
71	CC(=CC1=CC=CC=C1)C2=CC=CC=C2,0.00
72	N#C[CH](CC1=CC=CC=C1)C2=CC=CC=C2,23.79
73	C[C](O)([CH](C(O)=O)C1=CC=CC=C1)C2=CC=CC=C2,57.53
74	C[CH]([CH](C(O)=O)C1=CC=CC=C1)C2=CC=CC=C2,37.30
75	ON=CC1=CC=C(Cl)C=C1,32.59
76	COC(C1=CC=CC=C1)C2=CC=CC=C2,9.23
77	O=C(NC(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3,29.10
78	C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2,0.00
79	C1C(=[O+][Cu]2([O+]=C(CC(=[O+]2)C3=CC=CC=C3)C=CC4=CC=CC=C4)[O+]=C1C5=CC=CC=C5)C=CC6=CC=CC=C6,45.20
80	ON=CC1=CC2=C(OCO2)C=C1,51.05
81	CCOC(=O)C(NC(=O)C1=CC=CC=C1)C(=O)OCC,81.70
82	NC1=CC=C(Cl)N=C1,38.91
83	C1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3,3.24
84	CCOC(=O)C1=C(O)C2=CC=C(Cl)C(=C2N=C1)C,59.42
85	CCN(CC)C(=O)C=CC1=CC=CC=C1,20.31
86	C[N+](C)(C)CC1=CC=C(C=C1)[N+]([O-])=O,43.14
87	C[N+](C)(C)CC1=CC=CC(=C1)[N+]([O-])=O,43.14
88	O=C(C[CH](N1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3,20.31
89	COC(N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,12.47
90	CN(C)CCC(=O)C1=CC=CC=C1,20.31
91	CCCCN(CCCC)C(C)=O,20.31
92	CC1=C(CO)C=CC=C1,20.23
93	CCN(CC)CCC(=O)OC,29.54
94	Cl[CH](CC1=CC=CC=C1)C2=CC=CC=C2,0.00
95	CC(C)CC(=O)CC(C)=O,34.14
96	CCN(CC)CCC#N,27.03
97	COC1=CC=C(CC#N)C=C1,33.02
98	CN(CC1=CC=CC=C1)C2=CC=CC=C2,3.24
99	COC1=CC=C(C=C1)C(C)(C)C#N,33.02
100	CCC(CC)([CH](O)C1=CC=CC=C1)C2=CC=CC=C2,20.23
101	CC(OC(=O)C1=CC=CC=C1)=CC2=CC=CC=C2,26.30
102	CCN(CC)C(C)=O,20.31
103	CCCCO[CH](N1CCCCC1)C2=CC=CC=C2,12.47
104	CCCCCCCCN(CC)CC,3.24
105	CCO[CH](C)C1=CC=CC=C1,9.23
106	CCN(CC)C(=O)CC,20.31
107	CCCCOC(OCCCC)C1=CC=CC=C1,18.46
108	C[Si](C)(C)CC1=CC=CC=C1,0.00
109	CCN(CC)CCCCCCNC1=C2C=CC(=CC2=NC=C1)Cl,28.16
110	CC(=O)C1=CC(=C(O)C(=C1)C)C,37.30
111	CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC)CC,63.68
112	CC(=O)C1=CC=NC=C1,29.96
113	CC1=C(C)C(=C(C[N+](C)(C)C)C(=C1)C)C,0.00
114	OCC(F)(F)C(F)F,20.23
115	OCC(F)(F)C(F)(F)C(F)(F)C(F)F,20.23
116	OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,20.23
117	FC(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,52.60
118	CC(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,52.60
119	CC(C)(C)O[Si](OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OC(C)(C)C,36.92
120	FC(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C1=C(C=CC=C1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,52.60
121	CN1C2=C(SC3=C1C=CC=C3)C=CC=C2,3.24
122	CCN1C2=C(SC3=C1C=CC=C3)C=CC=C2,3.24
123	CCN1C2=C(C=CC=C2)[S](=O)C3=C1C=CC(=C3)[N+]([O-])=O,63.45
124	CN1C2=C(C=CC=C2)S(=O)C3=C1C=CC=C3,20.31
125	ClCC(=O)C1=CC2=C(SC3=CC=CC=C3N2)C=C1,29.10
126	CC[N+]([O-])(CC)CCCN1C2=C(C=CC=C2)S(=O)C3=C1C=CC=C3,43.37
127	COC(=O)C1=C2NC3=CC=CC=C3SC2=CC=C1,38.33
128	CC(=O)N1C2=C(SC3=C1C=C(C=C3)C(=O)CCl)C=CC=C2,37.38
129	CC(=O)N1C2=C(SC3=C1C=CC4=C3C=CC=C4)C=CC=C2,20.31
130	S1C2=CC3=CC=CC=C3C=C2N=C1C4=CC=CC=C4,12.89
131	O=C1CSC2=C(N1)C=CC=C2,29.10
132	C1CN(CCO1)[Se][Se]N2CCOCC2,24.94
133	CCN(CC)N=O,32.67
134	CCCN(CCC)N=O,32.67
135	CC(C)CN(CC(C)C)N=O,32.67
136	CCCCN(CC)N=O,32.67
137	CCCC[CH](CC)CN(C[CH](CC)CCCC)N=O,32.67
138	CN(N=O)C1=CC=CC=C1,32.67
139	O=NN1CCCCC1,32.67
140	O=NN1CCOCC1,41.90
141	CCCCOC(=O)C=CC(=O)OCCCC,52.60
142	OC(=O)CBr,37.30
143	OC(=O)CCl,37.30
144	OC(=O)C=CC(=O)C1=CC=CC=C1,54.37
145	NC1=C(C=CC=C1)C(O)=O,63.32
146	OP(O)(=O)C1=CC=CC=C1,57.53
147	OS(=O)(=O)C1=CC=CC=C1,54.37
148	NC1=C(C=CC=C1)S(O)(=O)=O,80.39
149	OS(=O)(=O)C1=CC(=C(Cl)C(=C1)[N+]([O-])=O)[N+]([O-])=O,140.65
150	OC(=O)C1=CC=CC=C1,37.30
151	OC(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O,80.44
152	CCCCC(=CC1=CC(=C(O)C(=C1)Cl)Cl)C(O)=O,57.53
153	OC(=O)C(CC1=CC=CC=C1)=CC2=CC(=C(O)C(=C2)I)I,57.53
154	CCCCC(=CC1=CC(=C(O)C(=C1)I)I)C(O)=O,57.53
155	CCCCCCC(=CC1=CC=C(O)C=C1)C(O)=O,57.53
156	OC(=O)C(=CC1=CC(=C(O)C(=C1)Br)Br)C2=CC=C(I)C=C2,57.53
157	OC(=O)C(=CC1=CC(=C(O)C(=C1)Cl)Cl)C2=CC=C(I)C=C2,57.53
158	OC(=O)C(=CC1=CC(=C(O)C(=C1)I)I)C2=CC=C(I)C=C2,57.53
159	CC(=CC1=CC=C(O)C=C1)C(O)=O,57.53
160	OC(=O)C(=CC1=C(O)C(=CC(=C1)Br)Br)C2=CC=CC=C2,57.53
161	OC(=O)C(=CC1=CC(=C(O)C(=C1)Br)Br)C2=CC=CC=C2,57.53
162	OC(=O)C(=CC1=CC(=C(O)C(=C1)Cl)Cl)C2=CC=CC=C2,57.53
163	OC(=O)C(=CC1=CC=CC(=C1)O)C2=CC=CC=C2,57.53
164	NC1=CC(=C(C=C1)C=CC2=C(C=C(N)C=C2)S(O)(=O)=O)S(O)(=O)=O,160.78
165	OS(=O)(=O)CCS(O)(=O)=O,108.74
166	O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O,127.45
167	OCC(O)=O,57.53
168	CC(C)[CH](Br)C(O)=O,37.30
169	NC1=C2C=CC=CC2=C(C=C1)S(O)(=O)=O,80.39
170	CCOC(=O)N(C1=CC=CC=C1)C2=CC3=C(C=C2)C(=CC(=C3)S(O)(=O)=O)O,104.14
171	CCOP(=O)(NC1=CC(=CC=C1)Cl)OCC,47.56
172	OC(=O)C1=CC=CC=N1,50.19
173	C[CH](Br)C(O)=O,37.30
174	C[CH](Cl)C(O)=O,37.30
175	OC(=O)CCCl,37.30
176	OC(=O)[CH](Br)CBr,37.30
177	OC(=O)C1=NC(=CC=C1)C(O)=O,87.49
178	OC(=O)C1=CC=C(N=C1)C(O)=O,87.49
179	OC(=O)C1=C(C=NC=C1)C(O)=O,87.49
180	CC(=O)C(O)=O,54.37
181	OC(=O)C1=C(O)C=CC=C1,57.53
182	OC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O,143.81
183	OC(=O)C1=C(O)C(=CC=C1)[N+]([O-])=O,100.67
184	OC(=O)C1=CC(=CC=C1O)[N+]([O-])=O,100.67
185	CCC[CH](Br)C(O)=O,37.30
186	C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2,83.47
187	C[CH]1OC=C2C(=C(C(O)=O)C(=O)C(=C2[CH]1C)C)O,83.83
188	CCCCOC(N)=O,52.32
189	CC1=C(NC(=O)OCCCl)C=CC=C1,38.33
190	ClCCOC(=O)NC1=CC=CC=C1,38.33
191	CCOC(=O)NCC=C,38.33
192	CC1=CC=C(S)C=C1,0.00
193	[O-][N+](=O)C1=CC(=C(SSC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O,172.56
194	OC1(CCCC1)C#CC2(O)CCCC2,40.46
195	O=C(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,17.07
196	CNCC(N)=O,55.12
197	O=C(C=CC1=CN=CC=C1)C2=CC=CC=C2,29.96
198	O=C(C=CC1=NC=CC=C1)C2=CC=CC=C2,29.96
199	C[CH]([CH](O)C1=CC=CC=N1)C(=O)C2=CC=CC=C2,50.19
200	CC[C](C)(O)C#C[C]1(O)CCCC[CH]1C,40.46
201	CC(=O)NC1=CC(=CC(=C1)C)C,29.10
202	OS(=O)(=O)C1=C2C(=O)C3=CC=CC(=C3C(=O)C2=CC=C1)S(O)(=O)=O,142.88
203	OS(=O)(=O)C1=C2C(=O)C3=C(C=CC=C3C(=O)C2=CC=C1)S(O)(=O)=O,142.88
204	[O-][N+](=O)C1=C(SSC2=C(C=CC=C2)[N+]([O-])=O)C=CC=C1,86.28
205	ClC1=CC=C(C=N1)N=CC2=CC=CC=C2,25.25
206	OC(=O)C1=C(NC(=O)NC2=C(C=CC=C2)C(O)=O)C=CC=C1,115.73
207	CC(C)(O)C1=CC=CC2=C(C=CC=C12)C(C)(C)O,40.46
208	COC(=N)CCOC(=O)C1=CC=CC=C1,59.38
209	CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C)C=C2,34.14
210	O=C(SSC(=O)C1=CC=CC=C1)C2=CC=CC=C2,34.14
211	CC(C)(CCC(O)=O)CCC(O)=O,74.60
212	OC(=O)CC1=CC=C(SSC2=CC=C(CC(O)=O)C=C2)C=C1,74.60
213	ClS(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)S(Cl)(=O)=O)C=C1,77.51
214	OC(=O)C1=C(SSC2=C(C=CC=C2)C(O)=O)C=CC=C1,74.60
215	CC(=O)C1=CC=C(OC2=CC=C(C=C2)C(C)=O)C=C1,43.37
216	CCCC(=O)OC1=C(C=CC=C1)C(O)=O,63.60
217	CC(C)C1=CC=C(C=CC(O)=O)C=C1,37.30
218	CC(=O)NC1=CC=C(C=C1)S(N)(=O)=O,89.26
219	NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O,69.16
220	C[CH](O)C1=CC=C(OC2=CC=C(C=C2)[CH](C)O)C=C1,49.69
221	CCCCCCCCCCCC(=O)NC1=CC=C(SSC2=CC=C(NC(=O)CCCCCCCCCCC)C=C2)C=C1,58.20
222	CCSC(=N)CCCl,23.85
223	BrC1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(Br)C=C2,34.14
224	CCCCCC(=O)OC1=C(C=CC=C1)C(O)=O,63.60
225	CC(=S)N1CCCCC1,3.24
226	CC(=O)C1=CC=CC2=C(C=CC=C12)C(C)=O,34.14
227	CCOC(=O)CCCCCN,52.32
228	CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2,34.14
229	N[CH](CCCCCC[CH](N)C(O)=O)C(O)=O,126.64
230	SC1=C2C=CC=C(S)C2=CC=C1,0.00
231	CC(=C)C[C](C)(O)C1=C2C=CC=CC2=CC=C1,20.23
232	NC1=CC=C(C=C1)C(=O)C=CC2=NC=CC=C2,55.98
233	CN(C)CCC#N,27.03
234	CCOC(=O)C[CH](C(C)=O)C(=O)OCC,69.67
235	CCCC=C(C)C#CC1=CCCCC1,0.00
236	CC(=O)OCCC#N,50.09
237	CCOC(=O)N1CCCCC1,29.54
238	O=C(OCCC#N)C1=CC=CC=C1,50.09
239	C[C]12CCCC[CH]1C3=C(CCCC3)CC2,0.00
240	CC(=O)N1CCCCC1,20.31
241	C1CCC2=C(C1)C=CC3=C2CCCC3,0.00
242	CCCCOCOCCCC,18.46
243	COC(=O)CCCCCCCCCCS,26.30
244	CC(=O)C[CH](SCCSCCS[CH](CC(C)=O)C1=CC=CC=C1)C2=CC=CC=C2,34.14
245	CO[CH]([CH]([Hg]Br)C(=O)O[CH]1C[CH]2CC[C]1(C)C2(C)C)C3=CC=CC=C3,35.53
246	O=C(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,17.07
247	CC(C)CSC(C)=S,0.00
248	NC1=CC(=C(Cl)C=C1)Cl,26.02
249	OP(O)(F)=O,57.53
250	CC(=NNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C3=CC=C(Cl)C=C3,59.92
251	NP(N)(=O)C1=CC=CC=C1,69.11
252	NC1=NC(=NC=N1)N,90.71
253	NS(N)(=O)=O,86.18
254	NN.OB1OB(O1)OB2OB(O)O2,138.65
255	O=P(NC1CCCCC1)(OC2=CC=CC=C2)OC3=CC=CC=C3,47.56
256	CCCCOP(=O)(N1CCOCC1)N2CCOCC2,51.24
257	CCO[P](N)(=O)C1=CC=CC=C1,52.32
258	CC1=NC(=NC(=N1)N)N,90.71
259	NNP(=S)(NN)C1=CC=CC=C1,76.10
260	NNC(=S)NNC1=CC=CC=C1,62.11
261	CCNS(=O)(=O)NCC,58.20
262	CC(=O)CC(C)(C)NNC(N)=S,67.15
263	O=P(NC1=CC=CC=C1)(NC2=CC=CC=C2)NC3=CC=CC=C3,53.16
264	OS(=O)(=O)N(S(O)(=O)=O)S(O)(=O)=O,166.35
265	NNC(=O)C(=O)NN,110.24
266	OC1=C(C=CC=C1)C=NNC(=O)NC2=NN=NN2,128.18
267	NC(=O)NNC(=O)NNC(N)=O,151.37
268	NC(=S)NN=CC1=CC=CC=C1,50.41
269	CC(=NNC(=S)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2,48.78
270	CC(=NN=C(C)C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2,24.72
271	CCOC(=O)NC1=NN=NN1,92.79
272	CS(N)(=O)=O,60.16
273	CCOC(=O)NC(N)=O,81.42
274	N#CC1=C2C=CC=CC2=NC3=CC=CC=C13,36.68
275	ClC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(Cl)C=C2,34.14
276	O=C(NCCCCCCNC(=O)C1=CC=CC=C1)C2=CC=CC=C2,58.20
277	O=C(C[CH](N1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4,40.62
278	OC(=O)C1=CC=C(Cl)N=C1,50.19
279	OC1=C(C2CCCCC2)C(=O)C3=C(C=CC=C3)C1=O,54.37
280	O=C([CH](CC1=CC=CC=C1)N2CCCCC2)C3=CC=CC=C3,20.31
281	CCCCN(CCCC)CCCNC1=C2CCCCC2=NC3=C1C=CC=C3.OP(O)(O)=O,105.92
282	ClC1=CC(=C2NC(=CC2=C1)C3=CC=CC=C3)Cl,15.79
283	NNC1=C(C=CC=C1)C(O)=O,75.35
284	NC1=CC(=CC(=C1)N)[N+]([O-])=O,95.18
285	NC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O,112.30
286	CC1(C)[CH]2CC[C]1(C)C(=O)C2=O,34.14
287	CC1=CC=CC(=C1N)[N+]([O-])=O,69.16
288	CCOC(OCC)C1=CC=CC=C1,18.46
289	NNC1=C(C=C(I)C=C1)C(O)=O,75.35
290	CC1=CC(=C(Br)C=C1)[N+]([O-])=O,43.14
291	BrC1=CC(=C2NC(=CC2=C1)C3=CC=CC=C3)Br,15.79
292	O=C1OC(=NC1=CC2=CC=CC=C2)C3=CC=CC=C3,38.66
293	C[CH]1CCOCO1,18.46
294	CC1=CC(=CC=C1I)[N+]([O-])=O,43.14
295	CC1=CC(=C(I)C=C1)[N+]([O-])=O,43.14
296	OC(=O)CCCC1=CC=CC=C1,37.30
297	CC1=CC(=C(O)C=C1)C(=O)C2=CC=CC=C2,37.30
298	CC1=C(O)C=CC(=C1)C(=O)C2=CC=CC=C2,37.30
299	OC(=O)C(=CC1=CC=CC=C1)C#N,61.09
300	CC(=O)NC1=C(C=C(I)C=C1)C(O)=O,66.40
301	NC1=C(Br)C=C(C=C1Cl)S(O)(=O)=O,80.39
302	OC(=O)CC1=CC2=C(C=CC=C2)C=C1,37.30
303	NC1=C(C=C(I)C=C1)C(O)=O,63.32
304	ClC1=CC=CC2=C1NNC2=O,48.65
305	CN1N=C(C)CC1=O,32.67
306	NC1=C(Br)C=CC=C1Br,26.02
307	CC(=O)NC1=CC(=CC(=C1)C)Br,29.10
308	CCOC(=O)CC1(O)CCCCC1,46.53
309	BrC1=CC(=CC(=C1)NNC2=CC(=CC(=C2)Br)Br)Br,24.06
310	CC1=C(NNC2=C(C)C=CC=C2)C=CC=C1,24.06
311	C1=CC=C(C=C1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=CC=CC=C4,24.72
312	ClCC(=O)NC1=CC=CC=C1,29.10
313	O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4,42.01
314	CN(N=O)S(=O)(=O)C1=CC=C(C)C=C1,66.81
315	O=C(NCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2,58.20
316	CC(=O)N([CH](C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3,37.38
317	C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2,0.00
318	O=C(NC1CCCCC1)C(=O)NC2CCCCC2,58.20
319	O[CH]1CCN(CC2=CC=CC=C2)C1=O,40.54
320	O[CH]1CCN(C2CCCCC2)C1=O,40.54
321	CC(=O)N(CC(=O)N(CC(O)=O)C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2,77.92
322	CCOC(=O)C(=O)N(CCC(O)=O)C1=CC=CC=C1,83.91
323	OC1=C(C=CC=C1)C2=NCCN2,44.62
324	BrCC(=O)[CH](Br)[CH](Br)C1=CC=CC=C1,17.07
325	OCCNCCNC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O,167.87
326	COC(=O)[CH]1CN(CC2=CC=CC=C2)C(=O)C1=O,63.68
327	CCOC(=O)[CH]1CN(C)C(=O)C1=O,63.68
328	CCOC(=O)[CH]1CN(CC)C(=O)C1=O,63.68
329	CCCN1C[CH](C(=O)OCC)C(=O)C1=O,63.68
330	CCOC(=O)[CH]1CN(C(C)C)C(=O)C1=O,63.68
331	CCCCN1C[CH](C(=O)OCC)C(=O)C1=O,63.68
332	CCOC(=O)[CH]1CN(CC(C)C)C(=O)C1=O,63.68
333	CCOC(=O)[CH]1CN(C(=O)C1=O)C(C)(C)C,63.68
334	CCOC(=O)[CH]1CN(C(=O)C1=O)C2=CC=CC=C2,63.68
335	CCOC(=O)[CH]1CN(CC2=CC=CC=C2)C(=O)C1=O,63.68
336	CCOC(=O)[CH]1CN(CCC2=CC=CC=C2)C(=O)C1=O,63.68
337	CC(C)N(N=O)C(C)C,32.67
338	O=NN(C1CCCCC1)C2CCCCC2,32.67
339	O=NN(CC1=CC=CC=C1)CC2=CC=CC=C2,32.67
340	O=NN1CCN(CC1)N=O,65.34
341	CC1=C(C)C(=C(Br)C(=C1C)C)C,0.00
342	COCC1=C(C)C=C(C)C=C1C,9.23
343	CC1=CC(=CC(=C1O)C)C(=O)C2=CC=CC=C2,37.30
344	CCC(CC)(C#N)C1=CC=CC=C1,23.79
345	CN(C)CCC1=C(C)C=C(C)C=C1C,3.24
346	CCOC(=O)C(C(C)=O)C(C)=O,60.44
347	[O-][N+](=O)C1=C2N=CC=CC2=CC=C1,56.03
348	CCCC[CH](CC)C(=O)CC(C)=O,34.14
349	CC(=O)CCC1=CC=C(Cl)C=C1,17.07
350	COC1=CC=C(C)C(=C1)CN(C)C,12.47
351	CC(C)(C1=CC=CC=C1)[N+](C)(C)C,0.00
352	CN(C)CCC1=C(C)C(=C(C)C=C1C)C,3.24
353	C[N+](C)(C)CC1=C(C[N+](C)(C)C)C=CC=C1,0.00
354	CCN(CC)CCCNC1=C2C=C(OC)C=CC2=NC3=C1C=CC(=C3)Cl,37.39
355	COCC(=O)C1=CC=CC=C1,26.30
356	CCN(CC)CCC[CH](C)NC1=C2C=C(C)C(=CC2=NC=C1C)Cl.OP(O)(O)=O,105.92
357	CCCCCC(=O)CC(=O)CC,34.14
358	CCC(CC)(CC)[CH](O)C1=CC=CC=C1,20.23
359	CC(C)(C)OC(=O)C[CH](O)C1=CC=CC=C1,46.53
360	ClC1=C2NC3=C(Cl)C(=CC(=C3SC2=C(Cl)C=C1)Cl)C#N,35.82
361	CN(C)C1=CC=C(C=CC(=O)C2=CC=CC=C2)C=C1,20.31
362	CCCCN(CCCC)C(=O)C[C](C)(O)C1=CC=CC=C1,40.54
363	CCOC(=O)[CH](C#N)C1=CC=CC=C1,50.09
364	CN(C)C(C1=CC=CC=C1)C2=CC=CC=C2,3.24
365	O[CH](C1=CC=C(Cl)C=C1)C(=O)C2=CC=C(Cl)C=C2,37.30
366	CCCC(=O)CC(=O)CC(C)C,34.14
367	CCN(CC)CCCC#N,27.03
368	CC[CH](C(=O)OC)C(=O)C1=CC=CC=C1,43.37
369	CC(=O)NC1=CC=C(C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4,71.11
370	O=C([CH]([CH](N1CCOCC1)C(=O)C2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4,59.08
371	O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)N=CC3=CC=CC=C3,29.43
372	NC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2,43.09
373	CCOC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)N(C)C,58.64
374	CN(C)C1=CC=C(C=CC(=O)C2=CC=C(NC(C)=O)C=C2)C=C1,49.41
375	CCN(CC)C1=CC=C(C=CC(=O)C2=CC=C(NC(C)=O)C=C2)C=C1,49.41
376	CCCCOC1=CC=C(NC[S](=O)=O)C=N1,68.29
377	NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2.C=O,102.15
378	OC1=C(CCCC2=CC=C(OC3=CC=CC=C3)C=C2)C(=O)C4=C(C=CC=C4)C1=O,63.60
379	OC(=O)C1=C(Cl)N=CC=C1,50.19
380	OC(=O)CSC1=C(C=CC=C1)C(O)=O,74.60
381	O=C1C2=C(CCCC2)C(=O)C3=C1C=CC=C3,34.14
382	CCCCCN(CCCCC)CCCNC1=C2C=C(OC)C=CC2=NC3=C1CCCC3.OP(O)(O)=O,115.15
383	CCCCN(CCCC)C(=N)C1=C(C)C=C(C)C=C1C,27.09
384	NC1=CC=C(C=N1)C(O)=O,76.21
385	CCCCCN(CCCCC)CCCNC1=C2C=C(Cl)C=CC2=NC3=C1CCCC3.OP(O)(O)=O,105.92
386	[O-][N+](=O)C(=CC1=CC=CC=C1)C2=CC=CC=C2,43.14
387	OC(=O)C1=C2C=CC=CC2=NC3=C1C=CC=C3,50.19
388	C[CH]1CCN(CC1)[CH](CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3,37.38
389	OCCN[CH]([CH](O)C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2,52.49
390	C[CH]1CCCCN1[CH](CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3,37.38
391	OCCN[CH](C(=O)C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2,49.33
392	CSC1=NC(=NC(=N1)C)SC,38.67
393	[O-][N+](=O)N1C(=O)CCC1=O,80.52
394	CO.[O-][N+](=O)N1C(=O)CCC1=O,100.75
395	[O-][N+](=O)N1C(=O)C2=C(C=CC=C2)C1=O,80.52
396	OCC1=CC=CC=C1.[O-][N+](=O)N2C(=O)C3=C(C=CC=C3)C2=O,100.75
397	CCCC[CH](CC)C=CC1=NC2=C(C=CC=C2)C=C1,12.89
398	O=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,17.07
399	N#CCCN1C2=C(C=CC=C2)C3=CC=CC=C13,28.72
400	OC(=O)CCN1C2=C(C=CC=C2)C3=CC=CC=C13,42.23
401	OC(=O)CC1=C(F)C=CC=C1,37.30
402	OC(=O)CC1=CC=C(F)C=C1,37.30
403	OC(=O)C1CCOCC1,46.53
404	OC(=O)C1(CCOCC1)C(O)=O,83.83
405	O[CH](C1=NC2=CC=CC=C2N1)C3=CC=CC=C3,48.91
406	OC(=O)C(OC1=CC=CC=C1)OC2=CC=CC=C2,55.76
407	CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3S2,17.07
408	CC(=O)C1=CC2=C(C=C1)C3=CC=C(C=C3S2)C(C)=O,34.14
409	COC(=O)C1=C(Br)C(=CC=C1)[N+]([O-])=O,69.44
410	O=S1(=O)C2=CC=CC=C2OC3=C1C=CC=C3,43.37
411	CCCCCCCCCCCCOC1=CC=C(C=C1)C(O)=O,46.53
412	C[CH](CCN=CC1=C(O)C=CC=C1)N=CC2=C(O)C=CC=C2,65.18
413	CCO.CCSC1=NC(=CC(=N1)O)C=O,83.31
414	CC1=NC(=C(CCNCCC2=C(C)N=C(C)S2)S1)C,37.81
415	NNC(=O)C1C(C1C(=O)NN)C(=O)NN,165.36
416	CC(C)N(C(C)C)[P](=O)(O[P](=O)(N(C(C)C)C(C)C)C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=C(C=C2)[N+]([O-])=O,136.13
417	NC1=CC=C(C=C1)P(O)(O)=O,83.55
418	C[CH]1N[CH](C)S[CH](C)S1,12.03
419	OP(O)(=O)C1=CC(=CC=C1)[N+]([O-])=O,100.67
420	OP(O)(=O)C1=CC=C(C=C1)[N+]([O-])=O,100.67
421	CCOC(=O)C(C)(C)[Si](C)(C)C,26.30
422	CCOC(=O)[CH](C(C)C)C(=O)CC(C)C,43.37
423	OCCOC1=C(Cl)C=C(Cl)C=C1,29.46
424	CCCCCCCCCCCCCCCCCC1=NCCN1,24.39
425	C1CO[CH](C1)CNC[CH]2CCCO2,30.49
426	COC1=C(N)C=CC(=C1)N=NC2=C(OC)C=CC=C2,69.20
427	OC1=CC(=C(O)C=C1)Cl,40.46
428	C[N+]([O-])=O,43.14
429	CCNC(=O)NCC,41.13
430	OC(=O)COC1=C(Cl)C=C(Cl)C(=C1)Cl,46.53
431	NC1=CC=CC=N1,38.91
432	Cl[Sb](Cl)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,0.00
433	CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)N(C)C,6.48
434	CNC1CCCCC1,12.03
435	ClC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,0.00
436	CC[N+]1=C2C=CC=CC2=CC=C1,3.88
437	OC(=O)CCS,37.30
438	CC1=C(OP(=O)(OC2=C(C)C=CC=C2)OC3=C(C)C=CC=C3)C=CC=C1,44.76
439	S1C2=CC=CC=C2SC3=C1C=CC=C3,0.00
440	CCNC(=O)OCC,38.33
441	CC(C)(N)CO,46.25
442	CCC(C)=NO,32.59
443	NCCNCCNCCN,76.10
444	CC(=O)NC1=CC=C(Cl)C=C1,29.10
445	CCC[CH](O)CN,46.25
446	NCCNCCN,64.07
447	OS(=O)(=O)CCBr,54.37
448	ClN=C1C=CC(=O)C=C1,29.43
449	COC1=CC2=C(C=O)C=CN=C2C=C1,39.19
450	CC1=C(N)N=CC=C1,38.91
451	OCC(F)(F)F,20.23
452	OC(=O)C1CCCCC1,37.30
453	CC(C)CCS(O)(=O)=O,54.37
454	CCCCNC(=O)OCC,38.33
455	CCC(C)(C)C1=C(O)C=C(C(=C1)O)C(C)(C)CC,40.46
456	CC(C)=NNC(N)=O,67.48
457	CCCCCCCCCCCC(=O)N(CCCC)CCCC,20.31
458	NC1=CC=CC2=C1C(=O)C3=C(C=CC=C3)C2=O,60.16
459	CC1=NC(=C(C=N1)C#N)N,75.59
460	CC1=CC(=NC(=C1)C)C,12.89
461	NCCNCCO,58.28
462	C[CH]1CCCCN1,12.03
463	COC1=CC2=C(C=C1OC)[C]34CCN5CC6=CCO[CH]7CC(=O)N2[CH]3[CH]7[CH]6C[CH]45.OS(O)(=O)=O,125.84
464	O1C2=CC=CC=C2SC3=C1C=CC=C3,9.23
465	C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3,0.00
466	CCC[C](C)(CC)C(O)=O,37.30
467	CCCCC(CC)(CC)C(O)=O,37.30
468	CCCCCCCCC(C)(C)C(O)=O,37.30
469	CCCCCCCCC(CC)(CC)C(O)=O,37.30
470	CCCCCCCC[C](CC)(CCCC)C(O)=O,37.30
471	CCC(CC)(CC1=CC=CC=C1)C(O)=O,37.30
472	CCCC[C](CC)(CC1=CC=CC=C1)C(O)=O,37.30
473	CC1=C(NC(=N)NC2=C(C)C=CC=C2)C=CC=C1,47.91
474	C1CNCCN1,24.06
475	CC1=CC2=C(C=CC=C2)C=N1,12.89
476	CC[N+]1=C2C=CC=CC2=CC=C1C,3.88
477	CC1O[Ti]2(O)(O)(OC(C)C(=O)O2)OC1=O,111.52
478	C1=CC=C(C=C1)[As](C2=CC=CC=C2)C3=CC=CC=C3,0.00
479	O=C1NC(=O)[C](CC2=CC=CC=C2)(N1)C3=CC=CN=C3,71.09
480	CCCCC(=O)N[CH](O)C(Cl)(Cl)[CH](C)Cl,49.33
481	ClC1=CC=C(NC(=O)CBr)C=C1,29.10
482	CC1=CC=C(NC(=O)CBr)C=C1,29.10
483	ClC(Cl)(Cl)C(=O)NC1=CC=CC=C1,29.10
484	S([Hg]C1=CC=CC=C1)C2=NC3=C(S2)C=CC=C3,12.89
485	N#CC(C#N)[CH](C#N)C1=CC=CC=C1,71.37
486	OC1=C(C=CC=C1)C(=O)NC2=C3C=CC=CC3=CC=C2,49.33
487	OC1=C(C=CC=C1)C(=O)NC2=CC3=C(C=CC=C3)C=C2,49.33
488	ClC1=CC=C(C=C1)C=CC2=CC=CC=N2,12.89
489	ClC1=CC=C(C=C1)C=CC2=CC=NC=C2,12.89
490	N#CC(=CC1=CC=CC=C1)C#N,47.58
491	[O-][N+](=O)C1=CC=CC(=C1)C=C(C#N)C#N,90.72
492	ClC1=CC=C(C=C1)C=C(C#N)C#N,47.58
493	ClC1=CC(=C(C=C1)C=C(C#N)C#N)Cl,47.58
494	ClC1=C(Cl)C=C(C=C1)C=C(C#N)C#N,47.58
495	O=C(NC1=CC=CC=C1)C=CC2=CC=CC=C2,29.10
496	CCCCCCCNP(Cl)(Cl)=S,12.03
497	CCCNP(=S)(NCCC)NCCC,36.09
498	CCCCCCCNP(=S)(NCCCCCCC)NCCCCCCC,36.09
499	CCCCCCCCNP(=S)(NCCCCCCCC)NCCCCCCCC,36.09
500	CCCCCCCCCCCCNP(=S)(NCCCCCCCCCCCC)NCCCCCCCCCCCC,36.09
501	CC1(C)[CH]2CC[C](C)(C2)C1=NO,32.59
502	N(N=CC1=CC=CO1)C2=CC=CC=C2,37.53
503	S=C1NC2=C(C=CC=C2S1)C3=CC=CC=C3,15.79
504	CC1=C(Cl)C2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O,34.14
505	BrC[CH](Br)[CH](Br)CBr,0.00
506	N#C[CH](C1CCCCC1)C2=CC=CC=C2,23.79
507	CC(C)[C](C)(O)C1=CC=CC=C1,20.23
508	OCCCCCCO,40.46
509	O=C1CCC(=C1)C2=CC=CC=C2,17.07
510	NCCCCCC#N,49.81
511	COC(=O)CCC(O)=O,63.60
512	CC1=CC=C(CCC(O)=O)C=C1,37.30
513	CCC[CH](O)CO,40.46
514	CC[C](C)(OC(C)=O)C#N,50.09
515	CC(=O)O[C](C)(C#N)[C](C)(OC(C)=O)C#N,100.18
516	CSC(N)=N.OS(O)(=O)=O,124.47
517	COC(=O)[CH](O)[CH](O)C(=O)OC,93.06
518	CC(C)[CH](C)OC(C)=O,26.30
519	OC(=O)[CH]1[CH](C(O)=O)[C]2(Cl)C(=C(Cl)[C]1(Cl)C2(Cl)Cl)Cl,74.60
520	O=C(CCC#N)C1=CC=CC=C1,40.86
521	O=C1OC(=O)C2=C3C=CC=CC3=CC=C12,43.37
522	C[N+](C)(C)[CH]1CS(=O)(=O)C=C1,34.14
523	CC(C)(O)C#C,20.23
524	C[CH]1CCCCC1=O,17.07
525	CC(=O)OCCCCCCCCCC=C,26.30
526	CCN(CC)C(=O)CCC(O)=O,57.61
527	C[CH]1C=C[CH](C)[CH](COC(C)=O)[CH]1COC(C)=O,52.60
528	ClN=C1C=C(Br)C(=O)C(=C1)Br,29.43
529	CC[N+]1=C2C=CC(=CC2=CC=C1C)C,3.88
530	OC(=O)C1=CC=C(NC(=O)C2=C(O)C=CC=C2)C=C1,86.63
531	OC(=O)COC1=C(C=CC=C1)C(=O)NC2=CC=CC=C2,75.63
532	BrC1=CC=C(C=C1)C=C(C#N)C#N,47.58
533	S=C1SC2=C(C=CC=C2)N1CCNC3=CC=CC=C3,16.96
534	OC1=CC=C(C=C1CSC#N)[N+]([O-])=O,87.16
535	ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O,34.14
536	C[CH](OC1=C(C=CC=C1)C2=CC=CC=C2)C(O)=O,46.53
537	CC(=O)O[Hg]C1=CC=C(C=C1)N=CC2=C(O)C=CC=C2,58.89
538	[O-][N+](=O)C1=CC(=C(SC#N)C=C1)[N+]([O-])=O,110.07
539	OC1=CC=C(C=C1CCl)[N+]([O-])=O,63.37
540	ClC1=C(C=CC=C1)C=C(C#N)C#N,47.58
541	NC1=C(SC#N)C=C(C=C1)S(N)(=O)=O,109.97
542	[O-][N+](=O)C1=CC=CC(=C1)OC[CH]2CO2,64.90
543	ClC1=C(Cl)C=C(C=C1)[CH](C#N)C(C#N)C#N,71.37
544	S=P(NC1CCCCC1)(NC2CCCCC2)NC3CCCCC3,36.09
545	CC1=C(NC(=O)CBr)C=CC=C1,29.10
546	N#CC(=CC=CC1=CC=CO1)C#N,60.72
547	NS(=O)(=O)C1=CC=C(NC(=O)CBr)C=C1,89.26
548	NC1=C(SSC2=CC(=CC=C2N)S(N)(=O)=O)C=C(C=C1)S(N)(=O)=O,172.36
549	CCCCCN(CCCCC)CC(=O)O[CH]1C[CH]2CC[C]1(C)C2(C)C,29.54
550	COCCCN,35.25
551	OCNC(=O)C=C,49.33
552	OC1=NC2=C(C=CC=C2)C=C1,33.12
553	OC(=O)CC[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O,112.93
554	CC(=O)OC[CH]1[CH]2CC[CH](C2)[CH]1COC(C)=O,52.60
555	C[CH]1CCC[CH](COC(C)=O)[CH]1COC(C)=O,52.60
556	COC(=O)C1C2CC(Br)C(C2)C1C(=O)OC,52.60
557	CCOC(=O)[CH]1C2CCC(CC2)[CH]1C(=O)OCC,52.60
558	C=C1CCCC=C1,0.00
559	COC(=O)OCC=CCOC(=O)OC,71.06
560	CC(C)CC(C)=NO,32.59
561	CC(=O)O[CH]1CCCC[CH]1OC(C)=O,52.60
562	CCN(CC)CCC[CH](C)Br,3.24
563	CC(=O)O[C]1(C)C(=O)OC(=O)[C]1(C)OC(C)=O,95.97
564	CC(C)C[CH](C)OC=O,26.30
565	CC(C)C[CH](C)OC(C)=O,26.30
566	CCCC(=O)O[CH](C)CC(C)C,26.30
567	CC(C)C[CH](C)OC(=O)CC(C)C,26.30
568	CCCCCCC(=O)O[CH](C)CC(C)C,26.30
569	COC1=CC=C(C=C1)C(=O)O[CH](C)CC(C)C,35.53
570	CC(C)C[CH](C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O,69.44
571	CC1=CC(=C(CCl)C=C1)C,0.00
572	BrCCCCN1C(=O)C2=C(C=CC=C2)C1=O,37.38
573	CCCCCCN(CCCCCC)CCCCCCCCCCCO,23.47
574	[I]1C2=C(C=CC=C2)C3=C1C=CC=C3,0.00
575	OC(=O)C1=C(Cl)C=C(Cl)C=C1,37.30
576	NC1=CC=C(F)C=C1,26.02
577	NC1=CC=C(CCC2=CC=C(N)C=C2)C=C1,52.04
578	CC(=O)CC1=CC=C(C=C1)[N+]([O-])=O,60.21
579	CCC(=O)C1=CC=C(C=C1)[N+]([O-])=O,60.21
580	CCC(=O)C1=CC(=CC(=C1)C(=O)CC)C(=O)CC,51.21
581	ClC1=C(C=CC=C1)C=CC(=O)C=CC2=C(Cl)C=CC=C2,17.07
582	O=NN(C1=CC=CC=C1)C2=CC=CC=C2,32.67
583	CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(=O)C=CC2=CC=CC=C2,103.35
584	CC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2,17.07
585	COC1=CC(=C2N=CC=CC2=C1OC)[N+]([O-])=O,74.49
586	COC1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=C(OC)C=C3,52.60
587	C=CN1C(=O)CCC1=O,37.38
588	ClC1=CC2=C(NC(=O)CS2)C=C1,29.10
589	CC1=C(C#N)C(=C2C=CC=CC2=C1)O,44.02
590	ClC1=CC2=NC=CC(=C2C=C1)Cl,12.89
591	ClC1=CC=C(CCC2=CC=C(Cl)C=C2)C=C1,0.00
592	CCCCCCCC(=O)CCCCCCC,17.07
593	CC1=C(C=C(C(=C1[N+]([O-])=O)Br)[N+]([O-])=O)[N+]([O-])=O,129.42
594	CC1=C(N)C=C(C=C1)C(O)=O,63.32
595	C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CN=C3)C4=CC=CN=C4,38.67
596	COC1=CC=C2C=CC=CC2=C1C=C(C)C(O)=O,46.53
597	CC(C)(C)C(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2,17.07
598	CC1=C(Br)C(=C(C(O)=O)C(=C1)C)C,37.30
599	C=CCCCCCCCCC(=O)CCCCCCCCC=C,17.07
600	CC(=O)NCCNC(C)=O,58.20
601	OC1(CC=C)C(=C(C2=CC=CC=C2)C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5,20.23
602	[O-][N+](=O)C1=C2C=CC=C(C(Cl)=O)C2=CC=C1,60.21
603	CC1(C)[CH](CC[C]1(C)C(N)=O)C(O)=O,80.39
604	CC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O,34.14
605	[O-][N+](=O)C1=CC=C(CCC2=CC=C(C=C2)[N+]([O-])=O)C=C1,86.28
606	COC1=CC=CC(=C1[N+]([O-])=O)C(O)=O,89.67
607	BrC(Br)(Br)C1=NC2=C(C=CC=C2)C=C1,12.89
608	ClCC[CH]1NC(=O)[CH](CCCl)NC1=O,58.20
609	CC1=CC=C(C=C1)C(=O)CCCC(=O)C2=CC=C(C)C=C2,34.14
610	BrC1=NC(=CC=C1)Br,12.89
611	NC1=C2C=CC=CC2=C(C=C1)[N+]([O-])=O,69.16
612	CC(=O)C1=C(O)C=CC=C1O,57.53
613	CC1=C(C=CC=C1)C(=O)C2=C(C)C=CC=C2,17.07
614	CC(=O)C1=CC(=C(C)C=C1)[N+]([O-])=O,60.21
615	CC1=C2NC=CC2=CC=C1,15.79
616	CCCCC(=O)C1=CC(=CC(=C1)OC)OC,35.53
617	CCOC(=O)C1=CC2=C(OC1=O)C=CC=C2,56.51
618	OC(=O)C1CCC(CC1)C(O)=O,74.60
619	C[CH]1CCC(=CC1)C(O)=O,37.30
620	OC1=C(C=CC=C1)C(=O)C2=CC=CC=C2,37.30
621	COC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2,46.53
622	COC1=CC=C(C=C1OC)C(=O)CCC(O)=O,72.83
623	ClC1=C2C=CC3=C(N=CC=C3Cl)C2=NC=C1,25.78
624	COC1=CC=C(C=C1)C=NC(=S)NC(N)=S,59.64
625	CCC=NC(=S)NC(N)=S,50.41
626	C1O[CH]1[CH]2CO2,25.06
627	BrC[CH]1CO1,12.53
628	C=CCOC[CH]1CO1,21.76
629	C1O[CH]1COC2=C3C=CC=CC3=CC=C2,21.76
630	ClCCOC[CH]1CO1,21.76
631	ClC1=CC(=C(OC[CH]2CO2)C=C1)Cl,21.76
632	C1O[CH]1COC2=CC=CC=C2,21.76
633	OC(CBr)CBr,20.23
634	C1O[CH]1C2=CC=CC=C2,12.53
635	CCCCCCCC[CH]1O[CH]1CCCCCCCC(O)=O,49.83
636	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN,101.29
637	NNC(=O)C1=CC=C(N)C=C1,81.14
638	NNC(=O)C1=C(O)C=CC(=C1)N,101.37
639	NNC(=O)C1=C(N)C=CC=C1,81.14
640	NNS(=O)(=O)C1=CC=CC=C1,72.19
641	NNC(=O)C1=CC=CC=C1,55.12
642	COC1=CC(=CC(=N1)OC)C(=O)NN,86.47
643	CC=CC(=O)NN,55.12
644	NNC(=O)C1=CC=C(O)C=C1,75.35
645	CC(C)C1=CC=C(C=C1)C(=O)NN,55.12
646	NNC(=O)CC(=O)NN,110.24
647	CC1=[N+](C)C=CC=C1.Cl[I]Cl,3.88
648	OC1=C2C=CC=CC2=C(O)N=N1,66.24
649	NNC(=O)C1=C(O)C=CC=C1,75.35
650	NNC(=O)C1=CC=CS1,55.12
651	CC1=CCC(=O)O1,26.30
652	C[CH]1OC(=O)C=C1,26.30
653	O[CH](C=O)[CH]1OC(=O)[CH](O)[CH]1O,104.06
654	CC(=O)NC1=CC=C(C=C1)C=NO,61.69
655	ON=C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2,49.66
656	ON=C([CH](O)C1=CC=CC=C1)C2=CC=CC=C2,52.82
657	CC(=O)C(C)=NO,49.66
658	CCN(CC)[CH]1CCCCC1=NO,35.83
659	ON=CC1=CC=C(O1)[N+]([O-])=O,88.87
660	COC1=CC=C(C=C1)C=CC(=NO)C2=CC=CC=C2,41.82
661	COC1=CC=C(CCC(=NO)C2=CC=CC=C2)C=C1,41.82
662	C[N+](C)(C)C[CH]1COCCO1,18.46
663	N[CH](CC1=CC=C(O)C=C1)C(=O)NO,95.58
664	CC(=O)OOC(C)=O,52.60
665	CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,52.60
666	O=C(OOC(=O)C1=CC=CC=C1)C2=CC=CC=C2,52.60
667	CC(C)(C)OO,29.46
668	CC(C)(C)OOC(C)(C)C,18.46
669	CC(C)(C)OOC(=O)C1=CC=CC=C1,35.53
670	O=C(OOC(=O)C1=CC=CC=C1)C2=CC=CC=C2,52.60
671	OC(=O)CCC(=O)OOC(=O)CCC(O)=O,127.20
672	N=C1NN=C(S1)C2=CC=CC=C2,52.53
673	S=C1NC(=CS1)C2=CC=CC=C2,15.79
674	S1N=C2C=CC=CC2=N1,25.78
675	S=C1NCCS1,12.03
676	CC1=C(C)SC(=S)N1,15.79
677	CCCCOC1=CC=C(NC(=S)NC2=CC=C(C=C2)N(C)C)C=C1,36.53
678	CCC1=C(NC(=S)NC2=C(CC)C=CC=C2)C=CC=C1,24.06
679	CCN(CC)CCOC1=CC=C(NC(=S)NC2=CC=C(OCC(C)C)C=C2)C=C1,45.76
680	CCCCOC1=CC=C(NC(=S)NC2=CC=C(OCCN(CC)CC)C=C2)C=C1,45.76
681	S=C(NC1=CC=CC=C1)NC2=CC=CC=C2,24.06
682	CC1=CC=C(NC(=S)NC2=CC=C(C)C=C2)C=C1,24.06
683	S=C(NNC1=CC=CC=C1)NNC2=CC=CC=C2,48.12
684	NNC(=S)NN,76.10
685	CC(=O)NC1=CC=C(C=C1)C=NNC(=S)NN,91.54
686	NNC(=S)NN=CC1=CC=CC=C1,62.44
687	NNC(=S)NN=CC1=CC=CO1,75.58
688	NNC(=S)NN=CC1=CC=C(C=C1)[N+]([O-])=O,105.58
689	NNC(=S)NN=CC1=CC=CC(=C1)[N+]([O-])=O,105.58
690	NNC(=S)NN=CC1=CC=CN=C1,75.33
691	NNC(=S)NN=CC1=CC=CN1,78.23
692	NNC(=S)NN=CC1=CC=C2C=CC=CC2=N1,75.33
693	NNC(=S)NN=CC1=C2C=CC=CC2=NC=C1,75.33
694	NNC(=S)NN=CC1=CC=CS1,62.44
695	NC(=S)NNS(=O)(=O)C1=CC=CC=C1,84.22
696	NC(=S)NNC(=O)C1=CC=CC=C1,67.15
697	NC(=S)NNC(=O)C1=CC=C(C=C1)[N+]([O-])=O,110.29
698	NC(=S)NNC(=O)C1=CC(=CC=C1)[N+]([O-])=O,110.29
699	NNC(=S)NC1=CC=CC=C1,50.08
700	CC(=NNC(N)=S)C1=CC=C(Cl)C=C1,50.41
701	NC(=S)NN=CC=CC1=CC=CC=C1,50.41
702	CC(=NNC(N)=S)C1=CC=CS1,50.41
703	CC(=NO)C(C)=NNC(N)=S,83.00
704	CCC(C)=NNC(N)=S,50.41
705	CCOC(=O)CC(C)=NNC(N)=S,76.71
706	CC(C)=NNC(N)=S,50.41
707	COC1=CC=C(C=C1)C=NNC(N)=S,59.64
708	CC(=NNC(N)=S)C1=CC=CC=C1,50.41
709	CC(C)CNC(=S)NN=CC1=CC=C(NC(C)=O)C=C1,65.52
710	CC=CC=NNC(N)=S,50.41
711	NC(=S)NN=C1CCCCC1,50.41
712	CCS(=O)(=O)C1=CC=C(C=C1)C=NNC(N)=S,84.55
713	CCCCCCC=NNC(N)=S,50.41
714	CC(=NNC(N)=S)C1=CC=C(O)C=C1,70.64
715	NC(=S)NN=C1C(=O)NC2=C1C=CC=C2,79.51
716	COC1=CC=C(C=C1)C(C)=NNC(N)=S,59.64
717	NC(=S)NN=CC1=C2C=CC=CC2=CC=C1,50.41
718	NC(=S)NN=CC1=C(O)C=CC(=C1)[N+]([O-])=O,113.78
719	NC(=S)NN=CC1=CC=C(S1)[N+]([O-])=O,93.55
720	CC1(C)[CH]2CC[CH](C=NNC(N)=S)[CH]1C2,50.41
721	NC(=S)NN=CC1=CC2=C(OCO2)C=C1,68.87
722	CCCOC1=CC=C(C=C1)C=NNC(N)=S,59.64
723	NC(=S)NN=CC1=CC=CC=N1,63.30
724	NC(=S)NN=CC1=CC=CN=C1,63.30
725	NC(=S)NN=CC1=CC=NC=C1,63.30
726	NC(=S)NN=CC1=C2C=CC=CC2=NC=C1,63.30
727	NC(=S)NN=CC1=C(O)C=CC=C1,70.64
728	NC(=S)NN=CC1=CC=CS1,50.41
729	COC1=C(O)C=CC(=C1)C=NNC(N)=S,79.87
730	C1=CC=C(C=C1)C=NC2=CC=CC=C2,12.36
731	CN(C)C1=[S+][Zn]2(S1)SC(=[S+]2)N(C)C,6.48
732	CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCSC(N)=N)C=C1,68.33
733	NC1=NC(=C2N=C(CNC3=CC=C(C=C3)C(=O)N[CH](CCC(O)=O)C(O)=O)C=NC2=N1)N,219.33
734	CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=CC=C(C=C3)C(=O)N[CH](CCC(O)=O)C(O)=O,210.54
735	CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C,100.90
736	N[CH](COC(=O)C=[N+]=[N-])C(O)=O,126.02
737	NC1=NC(=C2N=CNC2=N1)N,106.50
738	ClC1=C2N=CNC2=NC=N1,54.46
739	O=P(N1CCOCC1)(N2CC2)N3CC3,35.56
740	CCOC(N)=O,52.32
741	CNC(C)=O,29.10
742	NC=O,43.09
743	NC1=NC(=C2N=NNC2=N1)O,113.60
744	CS(=O)(=O)OCCCCOS(C)(=O)=O,86.74
745	CCSCC[CH](N)C(O)=O,63.32
746	NC1=NC(=C2N=CNC2=N1)S,80.48
747	N1C=NC2=C1N=CN=C2,54.46
748	N[CH](CC1=CC=CS1)C(O)=O,63.32
749	SC1=C2N=CNC2=NC=N1,54.46
750	OC1=NC(=C2N=NNC2=N1)O,107.81
751	COC1=CC=C2C(=CC1=O)[CH](CCC3=CC(=C(OC)C(=C23)OC)OC)NC(C)=O,83.09
752	N[CH](C=O)[CH](O)[CH](O)[CH](O)CO,124.01
753	N1C=NC2=C1C=CC=C2,28.68
754	NC1=NC(=C2C=NNC2=N1)O,100.71
755	CC(=O)C1=CC=CN=C1,29.96
756	CN(CCCl)CCCl,3.24
757	CS(C)=O,17.07
758	CC(=O)N[CH](O)C(Cl)Cl,49.33
759	O[CH](NC(=O)C1=CC=CC=C1)C(Cl)Cl,49.33
760	O[CH](NC(=O)CC1=CC=CC=C1)C(Cl)Cl,49.33
761	CC1=CC=C(C=C1)C(=O)C(Cl)=NO,49.66
762	CC(=O)NC1=CC=C(C=C1)C(=O)CCl,46.17
763	ON=C(Cl)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2,49.66
764	ON1C(=O)C2=C(C=CC=C2)C1=O,57.61
765	CCN(CC)C(=S)SCCC(N)=O,46.33
766	NC(=O)CCSC(=S)N1CCOCC1,55.56
767	CCCCCCCCCCCCCCCC1=CC=C(O)C=C1,20.23
768	CCCCCCCCCCCCCCCC1=CC(=C(O)C=C1)O,40.46
769	CCCCCCCCCCCCCCCC1=C(O)C=C(O)C=C1,40.46
770	CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,40.46
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1039	CC(C)(CC(O)=O)C1=CC=CC=C1,37.30
1040	CCC(C)(C)N,26.02
1041	O[Hg]C1=CC=C(C=C1)C(O)=O,57.53
1042	OC1=C(SC2=C(O)C=CC(=C2)Br)C=C(Br)C=C1,40.46
1043	OC1=C(C=C(Br)C=C1)S(=O)(=O)C2=C(O)C=CC(=C2)Br,74.60
1044	CCC(CC)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O,110.67
1045	CC(C)(C)NC(=O)NC(C)(C)C,41.13
1046	OC1=CC(=C(C=C1)C(=O)C(=O)C2=C(O)C=C(O)C=C2)O,115.06
1047	CC(C)(C)[CH](O)C(=O)C(C)(C)C,37.30
1048	CCC(CC)C(O)(C(CC)CC)C(O)=O,57.53
1049	NC1=CC(=C(C=C1)S(O)(=O)=O)O,100.62
1050	OC(=O)C(=O)C1=C(O)C=C(O)C=C1,94.83
1051	O=C1NC(=C[CH]([CH]1C#N)C2=CC=CC=C2)C3=CC=CC=C3,52.89
1052	CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C,56.51
1053	[O-][N+](=O)C1=CC(=C(C=C1)C(=O)C(=O)C2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,206.70
1054	CCN(C(=S)NC1=CC=CC=C1)C2=C(C)C=CC=C2,15.27
1055	OC(=O)C1=C(O)C(=CC(=C1)Br)Br,57.53
1056	COC1=CC2=C(NCCCCCN3CCCCC3)C4=CC=C(Cl)C=C4N=C2C=C1,37.39
1057	CC(C)[C](C)(O)C#N,44.02
1058	CNC(C)C,12.03
1059	O=CN1CCCCC1,20.31
1060	CN(C)CCCN,29.26
1061	CC[CH](N)CO,46.25
1062	CCOC(C)(C)C,9.23
1063	CC(C)CC(C)=NO,32.59
1064	CC(C)OC(=O)CC#N,50.09
1065	CC(C)(C)OC(=O)CC#N,50.09
1066	ClCCOC1=CC=CC=C1,9.23
1067	CCOC(=O)C(C#N)=C(C)C,50.09
1068	CC(C)CCCC(O)=O,37.30
1069	CCCCCC#N,23.79
1070	CCC(=O)CC(C)(C)C,17.07
1071	CCCC[CH](CC)COCCCN,35.25
1072	CC(C)(C)CC#N,23.79
1073	CC(C)CC1=C(C)C=C(C)C=C1C,0.00
1074	NCCCN1CCOCC1,38.49
1075	IC1=CC=CS1,0.00
1076	C[CH](CCCC#N)[N+]([O-])=O,66.93
1077	CCOC(=O)C(=CC)C(=O)OCC,52.60
1078	CCC(=O)C(=O)C1=CC=CC=C1,34.14
1079	CCOC(=O)C=C(C)N,52.32
1080	CC(C)CC(=O)C1=C(C)C=C(C)C=C1C,17.07
1081	CCOC(=S)SCCSC,9.23
1082	CC(C)CCCN,26.02
1083	CC(C)NCCO,32.26
1084	CCCCC[CH](C)N,26.02
1085	CCOC(OCC)C=O,35.53
1086	CC(=O)CCCOC(C)=O,43.37
1087	CC1(C)CCOC1=O,26.30
1088	C[CH](N)CCCO,46.25
1089	OCCC1=CC=NC=C1,33.12
1090	CCCN(CC)CC,3.24
1091	CCCCNCCO,32.26
1092	C[CH](CCCC(C)=C)[CH](O)C=O,37.30
1093	CC(C)[CH]1CCC(=CC1=O)C,17.07
1094	CCOC(=O)[CH](CC)C#N,50.09
1095	CCOC(=O)[CH](C)C(C)=O,43.37
1096	CCOC(=O)[CH](C)CC,26.30
1097	CCOC[C](C)(CO)C[CH](C)CO,49.69
1098	CCCCCC(C)=NO,32.59
1099	CC[CH](C)C[CH](C)N,26.02
1100	OCCCCCCl,20.23
1101	O=C1C[CH](CO1)C2=CC=CC=C2,26.30
1102	CCC(CC)C=NO,32.59
1103	BrC1CCCC1,0.00
1104	CCCCSCC=C,0.00
1105	OC(=O)C1CC1,37.30
1106	CCCOS(O)(=O)=O,63.60
1107	CCCCCOS(O)(=O)=O,63.60
1108	O[CH]1CC(O)(C[CH](O)C1O)C(O)=O,118.22
1109	NC1=C(C=C(Cl)C=C1Cl)C(O)=O,63.32
1110	NC1=CC(=CC(=C1)Cl)[N+]([O-])=O,69.16
1111	CCCCCOC(S)=S,9.23
1112	CC1=CC(=C(C(=C1)C)C(O)=O)C,37.30
1113	CCNCCCl,12.03
1114	O[CH](C#N)C(Br)(Br)Br,44.02
1115	OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)S(O)(=O)=O,134.81
1116	OC(=O)C1=C(C=CC=C1Cl)[N+]([O-])=O,80.44
1117	NC(=O)C1=CC(=C(O)C(=C1)O)O,103.78
1118	O[As](=O)(O[As](O)(=O)C1=CC=CC=C1)C2=CC=CC=C2,83.83
1119	C1C[S+]2CC[S+]1CC2,0.00
1120	NC(=O)NCCO,75.35
1121	NC1=CC(=C(C=C1Cl)S(O)(=O)=O)Cl,80.39
1122	O[CH]1CCCC[CH]1N2C(=O)C3=C(C=CC=C3)C2=O,57.61
1123	CC1=CC=C(C=C1)S(=O)(=O)N(Cl)Cl,37.38
1124	C[CH](Cl)C(Cl)(Cl)C(O)=O,37.30
1125	C[CH](Cl)C(Cl)(Cl)C=O,17.07
1126	COC1=CC(=C(N)C=C1F)[N+]([O-])=O,78.39
1127	CC1=C(CCCO1)C(O)=O,46.53
1128	C[C]1(CS(O)(=O)=O)[CH]2CC[C]1(C)C(=O)[CH]2Br,71.44
1129	CCCCCCCCCCCC(=O)NN,55.12
1130	CNC1=CC(=CC=C1)[N+]([O-])=O,55.17
1131	COC(=O)[CH](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2,43.37
1132	COC1=C(C[CH](C)N)C=CC=C1,35.25
1133	CCOC(=O)[CH]1CC(=O)[CH](CC1=O)C(=O)OCC,86.74
1134	ClC1=CC=C(C=C1)C2=CC=C(Cl)C=C2,0.00
1135	CC(C)(O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2,40.46
1136	CC(=O)C1=C2C=CC=CC2=CC3=C1C=CC=C3,17.07
1137	OC(=O)CN(CC(O)=O)CC1=CC=CC=C1,77.84
1138	CC(C)(C)CC(N)=O,43.09
1139	OC1=C(C=CC=C1)C=NC2=CC=C(C=C2)N=CC3=C(O)C=CC=C3,65.18
1140	C[CH](CCN(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O,155.68
1141	CCCCCCC(C)(C)NC(N)=O,55.12
1142	CC(C)(OC1=CC=C(Cl)C=C1)C(O)=O,46.53
1143	CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C)C=C2,80.31
1144	CC(=C)[CH]1CC[C]2(C)CC[C]3(C)[CH](CC[CH]4[C]5(C)CC[CH](OC(=O)C6=CC=CC=C6)C(C)(C)[CH]5CC[C]34C)[CH]12,26.30
1145	O=C1N[CH](C2=CC=CC=C2)C(=N1)C3=CC=CC=C3,41.46
1146	ClC1=CC=C(C=C1)C(=C(Cl)Cl)C2=CC=C(Cl)C=C2,0.00
1147	NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,26.02
1148	O=C1O[C](C[CH]1C2=CC=CC=C2)(C3=CC=CC=C3)C4=C5C=CC=CC5=CC=C4,26.30
1149	CC(C)([N+]([O-])=O)C(C)(C)[N+]([O-])=O,86.28
1150	O=C(C1=CC=CC=C1)C(=NOCC2=CC=CC=C2)C3=CC=CC=C3,38.66
1151	CCCC1=CC=[N+](C=C1)[Ni](SC#N)(SC#N)([N+]2=CC=C(CCC)C=C2)([N+]3=CC=C(CCC)C=C3)[N+]4=CC=C(CCC)C=C4,63.10
1152	O=C(CCCCC(=O)C1=CC=CC=C1)C2=CC=CC=C2,34.14
1153	CC(C)(CO)N(CC(O)=O)CC(O)=O,98.07
1154	COC1=CC=C(Br)C(=C1)[N+]([O-])=O,52.37
1155	NC1=C(C=CC=C1[N+]([O-])=O)C(O)=O,106.46
1156	CCC(C)(C(O)=O)C(O)=O,74.60
1157	CCC(CC)C(O)=O,37.30
1158	NC(=S)NC1=C(Cl)C=CC=C1,38.05
1159	COC1=CC=C(C=C1)C(=O)C(C)=NO,58.89
1160	COC1=CC(=C(C=C1)[N+]([O-])=O)O,72.60
1161	CC(C)C(C(O)=O)C(O)=O,74.60
1162	CCN(CC)CCN(CC(O)=O)CC(O)=O,81.08
1163	CC(C)(C)[CH](Br)C(=O)NC1=CC=CC=C1,29.10
1164	NN=C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2,55.45
1165	CC(C)C(C)(C)NC(N)=O,55.12
1166	NC1=C(CO)C=CC=C1,46.25
1167	CCC(C)(C)N(CC(O)=O)CC(O)=O,77.84
1168	CCOC(=O)C(=O)[CH]1CCCCC1=O,60.44
1169	COC1=C(OC)C=C(NC(C)=O)C(=C1)Br,47.56
1170	CCN(CC)C1=C(C=CC=C1)S(O)(=O)=O,57.61
1171	NC(=O)CCCCCCCCC(N)=O,86.18
1172	CC(=C)[CH]1CCC(=CC1)C=NO,32.59
1173	BrC1=CC=C(NC=O)C=C1,29.10
1174	COC1=C(OC)C(=C(C=C1)C(C)=O)O,55.76
1175	OC(=O)C1(O)CCCCC1,57.53
1176	CCOC(=O)CNS(=O)(=O)C1=CC=CC=C1,72.47
1177	COC1=CC(=C2N=CC=CC2=C1Cl)N,48.14
1178	CCN(CC)[C](C)(O)CN,49.49
1179	BrCC(=O)C1=CC=NC=C1,29.96
1180	CCCOC1=CC=C(C)C=C1,9.23
1181	CC=C(Cl)C(O)=O,37.30
1182	CN1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3,22.00
1183	CCCCCCCCCCSC#N,23.79
1184	CCCOC(=O)CSC#N,50.09
1185	CCNC(=O)CCl,29.10
1186	CN(C)C(=O)CCl,20.31
1187	CCCCNC(=O)CCl,29.10
1188	N#CSCCOCCSC#N,56.81
1189	COCC1=CC=C(O1)[N+]([O-])=O,65.51
1190	CCN(CC)C(=O)[CH](C)Br,20.31
1191	CCCN(CCC)C(=O)CCl,20.31
1192	CC(C)(N)CO[CH]1C[CH]2CC[C]1(C)C2(C)C,35.25
1193	O=C(CSC#N)OC1CCCCC1,50.09
1194	CCC(CC)COC(=O)CI,26.30
1195	CCOC(=O)CSC#N,50.09
1196	CC[Hg]Cl,0.00
1197	OCC(I)CO,40.46
1198	CCCOC(=O)CCl,26.30
1199	CCCCCCCNC(=O)CI,29.10
1200	CCNC(=O)[CH](C)Br,29.10
1201	CCCCCCCCCC[Se]C#N,23.79
1202	CC(C)(C)OC(=O)CSC#N,50.09
1203	CC(C)CCNC(=O)CI,29.10
1204	CCCC[CH](CC)CNC(=O)CI,29.10
1205	CCCCOC(=O)CCl,26.30
1206	O=CC1=C2C=CC=CC2=NC=C1,29.96
1207	Cl[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,0.00
1208	NC(=N)NCCC[CH](N=CC1=CC=CC=C1)C(O)=O,111.56
1209	OC[CH](O)[CH](O)[CH](O)[CH](O)C(=O)CO,138.45
1210	OC[CH](O)[CH](O)[CH](O)[CH](O)C(=O)CO,138.45
1211	CO[CH]1O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]1O,119.61
1212	C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O,90.15
1213	OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C=O,158.68
1214	CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,238.09
1215	OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C(=O)CO,197.37
1216	CC1(C)OC[CH](O1)[CH]2O[CH]3OC(C)(C)O[CH]3[CH]2O,66.38
1217	OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C=O,138.45
1218	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O,99.38
1219	CCCC[CH](CC)CC[CH](OC(=O)CSC#N)[CH](C)CC,50.09
1220	ClC1=CC2=NC3=C(CCCC3)C(=C2C=C1)Cl,12.89
1221	CN(C)C(=N)NC1=NC(=C2C=C(Cl)C=CC2=N1)C.O[N+]([O-])=O,128.27
1222	CCN(CC)C(=N)NC1=NC(=C2C=C(Cl)C=CC2=N1)C.O[N+]([O-])=O,128.27
1223	CSCC[CH](O)C(O)=O,57.53
1224	CC1=CC=CC2=C1OC3=C(C=CC=C3)C2=O,30.21
1225	COC1=CC=C(C=C1)C=C2NC(=O)NC2=O,67.43
1226	COC1=CC(=C(C=C1)N=C[CH]2CCCCC2=O)[N+]([O-])=O,81.80
1227	CC1=C2C=CC=CC2=NC3=C1C=CC=C3,12.89
1228	ClC1=C2CCCCC2=NC3=C1C=CC=C3,12.89
1229	COC1=CC2=C(NC3=C(C=CC=C3)C2=O)C=C1,42.09
1230	C[CH](Cl)CCl,0.00
1231	CCCCCOC(=O)[CH](C)SC#N,50.09
1232	Br[CH]1CCCC[CH]1Br,0.00
1233	CC1=C(C)C(=C(Br)C(=C1)C)C,0.00
1234	CC1=C(CCl)C(=C(CCl)C(=C1)C)C,0.00
1235	COC1=C(OC(C)=O)C=CC(=C1)CC=C,35.53
1236	CCOC(=O)C(=O)CC(C)=O,60.44
1237	CC1=CC=CC(=C1)C=O,17.07
1238	O1C2=CC=CC=C2C3=CC=CC=C13,13.14
1239	CCC(C)(C)C1CCC(O)CC1,20.23
1240	CC1(O)CCCCC1,20.23
1241	CCC[CH](C)CC(O)=O,37.30
1242	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,120.37
1243	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,120.37
1244	CC[CH](O)[CH](C)CO,40.46
1245	CCCCCCCCCCCCCCCCCC1=[O+][Cr](Cl)(Cl)O[Cr](Cl)(Cl)O1,29.76
1246	N[Cu]1(N)OC(=O)C2=C(C=CC=C2)C(=O)O1,104.64
1247	CCCCCC[CH](O)CC=CCCCCCCCC(=O)OC,46.53
1248	O1C=CC2=CC=CC=C12,13.14
1249	C[CH](O)C(=O)OCC=C,46.53
1250	CCCOC(=O)CCOC,35.53
1251	COCCO,29.46
1252	CC(C)OCCO,29.46
1253	OCC=CCO,40.46
1254	CC(C)(O)C1=CC=CC=C1,20.23
1255	OCCOCCOCCOCCO,68.15
1256	C[CH]1CC[CH]([CH](O)C1)C(C)=C,20.23
1257	CC[CH](O)C1=CC=C(OC)C=C1,29.46
1258	CCCCCC[CH](C)OC(=O)[CH](C)O,46.53
1259	COC1=CC=C(C=C1)C(C)(C)C,9.23
1260	OC1=CC=C(C=C1O)C2=CC=CC=C2,40.46
1261	CC(C)CC(=O)CC1=CC=CC=C1,17.07
1262	CC[CH](C)C1=CC=C(OCCO)C=C1,29.46
1263	CCCCOC(=O)CCCCC(=O)O[CH](C)C(=O)OCCCC,78.90
1264	CCCC(=O)OCCC1=CC=CC=C1,26.30
1265	CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC,52.60
1266	COC(=O)CCCCCCCCC=C,26.30
1267	CC=C[CH](O)C1=CC=CC=C1,20.23
1268	CC(C)OC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OC(C)C,132.89
1269	CCCCCCCCCCCC(=O)O[CH](C)C(=O)O[CH](C)CC,52.60
1270	CC[CH](C)OC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)O[CH](C)CC,132.89
1271	CC(C)COC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCC(C)C,132.89
1272	CCCCCCOC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCCCCC,132.89
1273	CCCCCCCCOC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCCCCCCC,132.89
1274	CC[CH](C)OCCOCCOC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCOCCO[CH](C)CC,169.81
1275	CCC(CC)C(=O)OCCCCOC(=O)C(CC)CC,52.60
1276	OCCCCOC1=CC=CC=C1,29.46
1277	CC1(C)[CH]2CC=C(CCO)[CH]1C2,20.23
1278	CC1(C)[CH]2CC[CH](CCO)[CH]1C2,20.23
1279	CC(=O)OCCC1=CC[CH]2C[CH]1C2(C)C,26.30
1280	C[CH](O)C(=O)OCCCCCO,66.76
1281	CC1=CC=[N+](C=C1)[Cu](Cl)(Cl)[N+]2=CC=C(C)C=C2,7.76
1282	Cl[Cu](Cl)([N+]1=CC=CC=C1)[N+]2=CC=CC=C2,7.76
1283	CCCC1=CC=[N+](C=C1)[Cu](Cl)(Cl)[N+]2=CC=C(CCC)C=C2,7.76
1284	CCC(CC)C1=CC=[N+](C=C1)[Cd](SC#N)(SC#N)[N+]2=CC=C(C=C2)C(CC)CC,55.34
1285	CC1=[N+](C=CC=C1)[Zn++]([N+]2=C(C)C=CC=C2)([N+]3=C(C)C=CC=C3)[N+]4=C(C)C=CC=C4.SC#N,39.31
1286	CCC1=CC=[N+](C=C1)[Cu](Cl)(Cl)[N+]2=CC=C(CC)C=C2,7.76
1287	C1CN[Cu]2(N1)NCCN2,48.12
1288	C1CN[Ni]23(N1)(NCCN2)NCCN3,72.18
1289	C1CN[Co]23(N1)(NCCN2)NCCN3,72.18
1290	CCCCC(CCCC)C1=CC=[N+](C=C1)[Cu](Cl)(Cl)[N+]2=CC=C(C=C2)C(CCCC)CCCC,7.76
1291	CCCCCC1=CC=[N+](C=C1)[Zn++]([N+]2=CC=C(CCCCC)C=C2)([N+]3=CC=C(CCCCC)C=C3)[N+]4=CC=C(CCCCC)C=C4.SC#N,39.31
1292	N[Co](N)(N)(N)(N)N,156.12
1293	N[Co+3](N)(N)(N)(N)N.[O-][N+]([O-])=O,222.32
1294	N[Co+3](N)(N)(N)(N)N.Cl[Cd](Cl)(Cl)(Cl)Cl,156.12
1295	N[Cu](N)(N)N,104.08
1296	N[Ni](N)(N)(N)(N)N,156.12
1297	CCCC1=CC=[N+](C=C1)[Cd](SC#N)(SC#N)[N+]2=CC=C(CCC)C=C2,55.34
1298	CC1=[N+](C=CC=C1)[Cu](SC#N)(SC#N)[N+]2=C(C)C=CC=C2,55.34
1299	CCC(CC)C1=CC=[N+](C=C1)[Zn++]([N+]2=CC=C(C=C2)C(CC)CC)([N+]3=CC=C(C=C3)C(CC)CC)[N+]4=CC=C(C=C4)C(CC)CC.SC#N,39.31
1300	N#CS[Zn](SC#N)([N+]1=C2C=CC=CC2=CC=C1)[N+]3=C4C=CC=CC4=CC=C3,55.34
1301	CCCC1=CC=[N+](C=C1)[Co](SC#N)(SC#N)([N+]2=CC=C(CCC)C=C2)([N+]3=CC=C(CCC)C=C3)[N+]4=CC=C(CCC)C=C4,63.10
1302	N#CS[Cu](SC#N)([N+]1=CC=CC=C1)[N+]2=CC=CC=C2,55.34
1303	CCC1=CC=[N+](C=C1)[Co](SC#N)(SC#N)([N+]2=CC=C(CC)C=C2)([N+]3=CC=C(CC)C=C3)[N+]4=CC=C(CC)C=C4,63.10
1304	N#CS[Ni](SC#N)([N+]1=CC=CC=C1)([N+]2=CC=CC=C2)([N+]3=CC=CC=C3)[N+]4=CC=CC=C4,63.10
1305	[O-][N+](=O)C1=C2C=CC=C3CCC(=C23)C=C1,43.14
1306	CC(=O)NC1=C(C=CC=C1)[N+]([O-])=O,72.24
1307	CC(=O)NC1=CC(=CC=C1)[N+]([O-])=O,72.24
1308	CC(=O)NC1=CC=C(C=C1)[N+]([O-])=O,72.24
1309	OC1=C(Cl)C=C(C=C1)[N+]([O-])=O,63.37
1310	OC1=CC=C(C=C1)[N+]([O-])=O,63.37
1311	[O-][N+](=O)C1=CC=C(C=CC=O)C=C1,60.21
1312	CCOC1=CC2=C(C=CC=C2)C=C1,9.23
1313	CCOC1=CC=C(N)C(=C1)[N+]([O-])=O,78.39
1314	COC1=CC(=C(OC)C=C1)[N+]([O-])=O,61.60
1315	COC(=O)C=CC1=CC=CC(=C1)[N+]([O-])=O,69.44
1316	COC(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O,69.44
1317	[O-][N+](=O)C1=CC=C(C=C1)C2=CC=CC=C2,43.14
1318	CC(=O)NC1=C(C=C(OC(C)=O)C=C1)[N+]([O-])=O,98.54
1319	CCOC1=CC(=C(NC(C)=O)C=C1)[N+]([O-])=O,81.47
1320	COC(=O)C1=CC(=CC=C1)[N+]([O-])=O,69.44
1321	CCN(C(C)=O)C1=CC=C(C=C1)[N+]([O-])=O,63.45
1322	CCCCCCCCCCCCCCOC(=O)CSC#N,50.09
1323	ON=CC(=O)C1=CC=CC=C1,49.66
1324	CCCCOC(=O)C1=CC=C(O)C(=C1)OC,55.76
1325	OC(=O)COC1=C(C=CC=C1)C2=CC=CC=C2,46.53
1326	N#CC(=CC1=CC=CO1)C#N,60.72
1327	CCOC1=C(OCC)C=C(C=C1)C=C(C#N)C#N,66.04
1328	OC(=O)COC1=C(C=CC=C1)C(O)=O,83.83
1329	OC1=C(C=C(Cl)C=C1)C=C(C#N)C#N,67.81
1330	CCN(CC)C(S)=S,3.24
1331	CCCCCCCCCCNC(=O)CI,29.10
1332	CC(C)OC(=S)SSC(=S)OC(C)C,18.46
1333	N#CC(=CC1=CC2=C(OCO2)C=C1)C#N,66.04
1334	COC1=C(OC)C=C(C=C1)C=C(C#N)C#N,66.04
1335	CCCCCCCCCCCCCCCCCCOC(=O)CCl,26.30
1336	COC1=CC=C(C=C1)C=C(C#N)C#N,56.81
1337	CCCCCCCCCCCCCCSSCCCCCCCCCCCCCC,0.00
1338	OC1=CC=C(C=C1)C=C(C#N)C#N,67.81
1339	O=C(CSC#N)C1=CC=CC=C1,40.86
1340	O=C(NC1=CC=CC=C1)OC[CH]2OCO[CH](COC(=O)NC3=CC=CC=C3)[CH]2OC(=O)NC4=CC=CC=C4,133.45
1341	C1OC[CH](O1)[CH]2COCO2,36.92
1342	OC[CH]1OCO[CH](CO)[CH]1O,79.15
1343	O=C(OC[CH]1O[CH](O[CH]1[CH]2O[CH](O[CH]2COC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6,89.52
1344	CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,238.09
1345	C[CH]1OCO[CH](CO)[CH](O)[CH]1O,79.15
1346	CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,140.73
1347	C[CH]1O[CH](O[CH]2CO[CH](O[CH]12)C3=CC=CC=C3)C4=CC=CC=C4,36.92
1348	OC[CH]1O[CH](O[CH]2CO[CH](O[CH]12)C3=CC=CC=C3)C4=CC=CC=C4,57.15
1349	OC[CH]1OCO[CH]2COCO[CH]12,57.15
1350	CCCCCCCCCCCCCCCC1=CC(=C(N)C=C1)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O,125.40
1351	COC1=CC2=C(C=O)C3=CC=C(Cl)C=C3N=C2C=C1,39.19
1352	C[CH](N)CO,46.25
1353	C[CH](CC(C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C,40.54
1354	CC(=O)OC1[CH](OC(C)=O)[CH](OC(C)=O)C2(CO2)[CH](OC(C)=O)[CH]1OC(C)=O,144.03
1355	CCCCCCCCCCCCCCCC1=CC(=C(N)C=C1)O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,149.68
1356	CCN(CC)C(=O)N1CCN(C)CC1,26.79
1357	CCCCCCCCCCCCCCCC1=CC(=CC=C1[N+]([O-])=O)O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,166.80
1358	CCCCCCCCCCCCCCCC1=CC(=CC=C1N)O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,149.68
1359	CCOC(=O)C1=CC=C(C=C1)N=C[CH]2CCCCC2=O,55.73
1360	NC(=S)NN=C1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O,151.56
1361	CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](NC(=O)OCC2=CC=CC=C2)[CH](OC(C)=O)[CH]1OC(C)=O,152.76
1362	CCC1=CC=CC(=C1)NC2=C(C=CC=C2)C(O)=O,49.33
1363	CC(=O)C1=CC=C(C=C1)N=C[CH]2CCCCC2=O,46.50
1364	CC(=O)O[CH]1CO[CH](O[CH]1[CH]2O[CH](OC[CH]2OC(C)=O)C3=C(C=CC=C3)[N+]([O-])=O)C4=C(C=CC=C4)[N+]([O-])=O,175.80
1365	CC1=CC=C(C=C1)S(=O)(=O)O[CH]2[CH]3CO[CH](O3)[CH]4OC(C)(C)O[CH]24,80.29
1366	C[CH]1OCO[CH](COS(=O)(=O)C2=CC=C(C)C=C2)[CH](OS(=O)(=O)C3=CC=C(C)C=C3)[CH]1OS(=O)(=O)C4=CC=C(C)C=C4,148.57
1367	O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1O,79.15
1368	CC(=O)OC[CH]1OCO[CH]2[CH](COC(C)=O)OCO[CH]12,89.52
1369	O=C(O[CH]1CO[CH](O[CH]1[CH]2O[CH](OC[CH]2OC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6,89.52
1370	CO[CH]1[CH](C)OCO[CH]2COCO[CH]12,46.15
1371	O[CH]1CO[CH](O[CH]1[CH]2O[CH](OC[CH]2O)C3=CC=CC=C3)C4=CC=CC=C4,77.38
1372	CC(=O)OC1COC2OC1C(OC(C)=O)C2OC(C)=O,97.36
1373	O[CH]1COCO[CH]1[CH]2OCOC[CH]2O,77.38
1374	O[CH]1[CH]2CO[CH](O2)[CH]3O[CH](O[CH]13)C4=CC=CC=C4,57.15
1375	COC(=O)[CH]1OCO[CH]2[CH]1OCO[CH]2C(=O)OC,89.52
1376	CC(=O)O[CH]1CO[CH](O[CH]1[CH]2O[CH](OC[CH]2OC(C)=O)C3=CC=CC=C3)C4=CC=CC=C4,89.52
1377	O=C(O[CH]1[CH]2CO[CH](O2)[CH](OC(=O)C3=CC=CC=C3)[CH]1OC(=O)C4=CC=CC=C4)C5=CC=CC=C5,97.36
1378	OC[CH]1OCO[CH]2[CH](CO)OCO[CH]12,77.38
1379	CC1(C)O[CH]2[CH](O)[CH]3OC[CH](O3)[CH]2O1,57.15
1380	OC1=C2C=NNC2=NC=N1,74.69
1381	OC1=C2C=NNC2=NC(=N1)S,74.69
1382	SC1=C2C=NNC2=NC=N1,54.46
1383	NC1=C2C=NNC2=NC=N1,80.48
1384	CSC1=NC(=C2C=NNC2=N1)O,74.69
1385	CN1N=CC2=C(O)N=C(O)N=C12,84.06
1386	CN1N=CC2=C(O)N=C(S)N=C12,63.83
1387	NC1=C(C=NN1C2=CC=C(C=C2)[N+]([O-])=O)C#N,110.77
1388	NC1=C(C=NN1C2=CC=C(Br)C=C2)C#N,67.63
1389	CN1N=CC2=C(N)N=CN=C12,69.62
1390	OC1=C2C=NN(C3=CC=C(Cl)C=C3)C2=NC=N1,63.83
1391	NC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1,69.62
1392	NC(=O)C1=C(N)NN=C1,97.79
1393	SC1=NC(=C2C=NNC2=N1)S,54.46
1394	OC1=NC(=C2C=NNC2=N1)S,74.69
1395	ClC1=CC=C(C=C1)N2N=CC3=C(Cl)N=C(Cl)N=C23,43.60
1396	CN1N=CC2=C(O)N=C(Cl)N=C12,63.83
1397	CC1=NNC(=C1[N+]([O-])=O)C(N)=O,114.91
1398	CC1=NNC(=C1)C(O)=O,65.98
1399	CC1=NNC(=C1[N+]([O-])=O)C(O)=O,109.12
1400	CC1=NNC=C1[N+]([O-])=O,71.82
1401	OC(=O)C1=NNC=C1[N+]([O-])=O,109.12
1402	CN1N=CC(=C1N)C#N,67.63
1403	CN1N=CC(=C1NC(C)=O)C#N,70.71
1404	NC1=C(C=NN1C2=CC=CC=C2)C#N,67.63
1405	CC(=O)NC1=C(C=NN1C2=CC=C(Cl)C=C2)C#N,70.71
1406	CCC(=O)NC1=C(C=NN1)C#N,81.57
1407	CC1=CC=C(C=C1)N2N=CC3=C(O)N=C(C)N=C23,63.83
1408	CC(=O)NC1=C(C=NN1C2=C(Cl)C=CC=C2)C#N,70.71
1409	CC1=NC(=C2C=NN(C3=C(Cl)C=CC=C3)C2=N1)O,63.83
1410	CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)O,63.83
1411	CN1N=CC2=C1N=C(C)N=C2NCC3=CC=CC=C3,55.63
1412	CNC1=C2C=NNC2=NC(=N1)C,66.49
1413	COC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C,52.83
1414	CN1N=CC2=C(Cl)N=CN=C12,43.60
1415	ClC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1,43.60
1416	CNC1=C2C=NN(C)C2=NC=N1,55.63
1417	CCNC1=C2C=NN(C)C2=NC=N1,55.63
1418	CC1=CC=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC=N2)C=C1,55.63
1419	CC1=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC=N2)C=CC=C1,55.63
1420	CCN(CC)C1=C2C=NN(C3=CC=CC=C3)C2=NC=N1,46.84
1421	CCNC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1,55.63
1422	N(C1=CC=CC=C1)C2=C3C=NN(C4=CC=CC=C4)C3=NC=N2,55.63
1423	CCCCNC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1,55.63
1424	CC(C)NC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1,55.63
1425	ClC1=CC=CC(=C1)NC2=C3C=NN(C4=CC=CC=C4)C3=NC=N2,55.63
1426	COC1=C2C=NN(C)C2=NC=N1,52.83
1427	CN1C=NC2=C(C=NN2C)C1=O,52.71
1428	CN1N=CC2=C(OC(C)=O)N=CN=C12,69.90
1429	CN1N=CC2=C(O)N=CN=C12,63.83
1430	BrC1=CC=CC(=C1)NC2=C3C=NN(C4=CC=CC=C4)C3=NC=N2,55.63
1431	CN1N=CC2=C1N=CN=C2NCC3=CC=CO3,68.77
1432	ClC1=CC=C(C=C1)N2N=CC3=C(Cl)N=CN=C23,43.60
1433	ClC1=CC=C(C=C1)N2N=CC3=C(NCC4=CC=CO4)N=CN=C23,68.77
1434	CCN(CC)CCNC1=C2C=NN(C3=CC=C(Cl)C=C3)C2=NC=N1,58.87
1435	CN(C)C1=C2C=NN(C3=CC=C(Cl)C=C3)C2=NC=N1,46.84
1436	SC1=C2C=NN(C3=CC=C(Cl)C=C3)C2=NC=N1,43.60
1437	CNNC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1,67.66
1438	CN(C)C1=C2C=NN(C3=CC=CC=C3)C2=NC=N1,46.84
1439	ClC1=CC=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC=N2)C=C1,55.63
1440	CN1N=CC2=C1N=CN=C2NC3=CC=C(Cl)C=C3,55.63
1441	CN1N=CC2=C1N=CN=C2NCC3=CC=CC=C3,55.63
1442	CN1N=CC2=C(NC3=CC(=CC=C3)Cl)N=CN=C12,55.63
1443	CN(C)C1=C2C=NN(C)C2=NC=N1,46.84
1444	CN1N=CC2=C(NC3=C(Cl)C=CC=C3)N=CN=C12,55.63
1445	CCC1=C(NC2=C3C=NN(C)C3=NC=N2)C(=CC=C1)CC,55.63
1446	CN1N=CC2=C(NC3=C(Cl)C=CC(=C3)Cl)N=CN=C12,55.63
1447	CN1N=CC2=C(NCCO)N=CN=C12,75.86
1448	CN1N=CC2=C(NN)N=CN=C12,81.65
1449	COC(=O)C1=CC=CC=N1,39.19
1450	N[CH](CC1=NNC2=C1C=CC=C2)C(O)=O,92.00
1451	CC1=CC2=C(C=C1)C(=CN2)C[CH](N)C(O)=O,79.11
1452	FC1=CC=C([I]C2=CC=C(F)C=C2)C=C1,0.00
1453	BrC1=CC2=C(C=C1)C3=CC=CC=C3C2,0.00
1454	CC1=CC=C(C=C1)[As](C2=CC=C(C)C=C2)C3=CC=C(C)C=C3,0.00
1455	CC1=C(C)C(=C2C=CC=CC2=C1)Br,0.00
1456	CC1O[Ni]2(OC(C)C(=O)O2)OC1=O,71.06
1457	N[Zn]1(O)OC(=O)C(=O)O1,98.85
1458	O[Cu]12(O)(OC(=O)C(=O)O1)OC(=O)C(=O)O2,145.66
1459	O=C1OCC2=C1C=CC=C2,26.30
1460	OC(=O)C(=O)CC1=CC=CC=C1,54.37
1461	C[CH](O)C(=O)OCCOCCO,75.99
1462	OC1(CCCCC1)C2(O)CCCCC2,40.46
1463	COC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OC,132.89
1464	CCCOC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCC,132.89
1465	COCCOC(=O)[CH](C)OC(=O)OCCOOCCOC(=O)O[CH](C)C(=O)CCOC,151.35
1466	CCCCCCCCOC(=O)[CH](C)OC(=O)[CH](C)O,72.83
1467	CCCC[CH](C)N=C=S,12.36
1468	CCCCSC#N,23.79
1469	CCC[CH](O)C(=O)CCC,37.30
1470	CCCC[CH](CC)COC(=O)CSC#N,50.09
1471	CCCCCCCCCCCCSC#N,23.79
1472	CC(C)(CO[CH]1C[CH]2CC[C]1(C)C2(C)C)[N+]([O-])=O,52.37
1473	OC(=O)C1=CC=NC=C1,50.19
1474	ClC1=C(Cl)C(=C2C(=O)OC(=O)C2=C1Cl)Cl,43.37
1475	NC1=CC=C(O)C2=C1C(=O)C3=C(C=CC=C3)C2=O,80.39
1476	CCN(CC)C1=CC=C(N)C=C1,29.26
1477	CCCC=NO,32.59
1478	CC1=NC(=CC=C1)N,38.91
1479	CC1=CC=C(N)N=C1,38.91
1480	CC1=CC(=NC=C1)N,38.91
1481	NC1=C(O)C=CC(=C1)S(O)(=O)=O,100.62
1482	NC1=C(Cl)C=CC(=C1)Cl,26.02
1483	CN(C)C1=CC=C(N)C=C1,29.26
1484	CC1=C(N)C=C(N)C=C1,52.04
1485	CC1=CC(=C(N)C=C1)N,52.04
1486	CC(C)(N=NC(C)(C)C#N)C#N,72.30
1487	OC(=O)C1=CC(=C(O)C(=C1)I)I,57.53
1488	CCCCCC(=O)NC1=CC=CC=C1,29.10
1489	NC1=C2C=CC=C(O)C2=CC=C1,46.25
1490	ClC[CH]1COC2=C(O1)C=CC=C2,18.46
1491	CCCCCOC(=O)CCC(=O)OCCCCC,52.60
1492	CCCCOC(=O)CCC(=O)OCCCC,52.60
1493	CS(=O)(=O)NS(C)(=O)=O,80.31
1494	C1CCC(CC1)NC2CCCC2,12.03
1495	OCCNC1CCCCC1,32.26
1496	C1CCC(CC1)NCSC2=NCCS2,24.39
1497	ClC1=C(OC2=CC=CC=C2)C(=O)C3=C(C=CC=C3)C1=O,43.37
1498	CCCCCCCC=O,17.07
1499	OC(=O)C=CC1=CC=C(Cl)C=C1,37.30
1500	NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N.OS(O)(=O)=O,139.53
1501	CCCCOC(=O)C1=C(O)C=CC=C1,46.53
1502	ClC[CH](Br)CBr,0.00
1503	ON(O)NC(=N)NN=C1C(=O)NC2=C1C=CC=C2,133.07
1504	NC1=CC=C(C=C1)C=NNC(=N)NN(O)O,129.99
1505	CC(=O)NC1=CC=C(C=C1)C=NNC(=N)NN(O)O,133.07
1506	COC1=CC=C(C=C1)C=NNC(=N)NN(O)O,113.20
1507	ON(O)NC(=N)NN=CC1=CC=CC=C1,103.97
1508	ON(O)NC(=N)NN=CC=CC1=CC=CC=C1,103.97
1509	ON(O)NC(=N)NN=CC1=C(Cl)C=C(Cl)C=C1,103.97
1510	CC(C)=CCCC(C)=CC=NNC(=N)NN(O)O,103.97
1511	CN(C)C1=CC=C(C=C1)C=NNC(=N)NN(O)O,107.21
1512	ON(O)NC(=N)NN=CC1=CC=CO1,117.11
1513	ON(O)NC(=N)NN=CC1=CC=C(O)C=C1,124.20
1514	CC(C)C1=CC=C(C=C1)C=NNC(=N)NN(O)O,103.97
1515	COC1=C(C=CC=C1)C=NNC(=N)NN(O)O,113.20
1516	ON(O)NC(=N)NN=CC1=C(C=CC=C1)[N+]([O-])=O,147.11
1517	ON(O)NC(=N)NN=CC1=CC=C(C=C1)[N+]([O-])=O,147.11
1518	ON(O)NC(=N)NN=CC1=C(O)C=CC(=C1)[N+]([O-])=O,167.34
1519	ON(O)NC(=N)NN=CC1=CC=NC=C1,116.86
1520	ON(O)NC(=N)NN=CC1=CC=CC=N1,116.86
1521	ON(O)NC(=N)NN=CC1=CC=CN=C1,116.86
1522	OC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O,106.51
1523	C1=CC=C2N=C(C=CC2=C1)C3=NC4=C(C=CC=C4)C=C3,25.78
1524	NC1=C(O)C=CC=C1,46.25
1525	COC1=CC=C(C=C1)C=NC2=C(O)C=CC=C2,41.82
1526	NC1=CC(=C(O)C=C1)N,72.27
1527	OC1=CC=C([Hg]Cl)C=C1,20.23
1528	OC1=C(CC=C)C=CC=C1,20.23
1529	OC1=C(CC=C)C=C(Cl)C=C1,20.23
1530	OC1=C(CC=C)C=CC=C1Cl,20.23
1531	OC1=CC=C(N=O)C(=C1N=O)O,99.32
1532	OC1=C(C(=CC=C1)O)[N+]([O-])=O,83.60
1533	OC1=CC=C(NC2=CC=CC=C2)C=C1,32.26
1534	OC1=C(C=CC=C1)N=CC2=CC=C(Cl)C=C2,32.59
1535	NC1=CC=C(O)C=C1,46.25
1536	NC1=CC(=CC=C1)O,46.25
1537	OC1=C(C=CC=C1)C2=CC=CC=C2,20.23
1538	OC1=C(C=CC=C1)C2=CC=CC=C2,20.23
1539	CC1=C(C)C=C(O)C=C1,20.23
1540	C1=CC=C(N=C1)C2=NC=CC=C2,25.78
1541	OC1=CC=CC(=C1)[N+]([O-])=O,63.37
1542	OC1=C(C=CC=C1)[N+]([O-])=O,63.37
1543	COC1=C(C=CC=C1)C=NC2=CC=C(O)C=C2,41.82
1544	OC1=CC=C(C=C1)N=CC2=C(O)C=CC=C2,52.82
1545	OC1=C(C=CC=C1)C=NC2=C(O)C=CC=C2,52.82
1546	OC1=CC=CC(=C1)N=CC2=C(O)C=CC=C2,52.82
1547	OC1=C(Cl)C=C(Cl)C(=C1Cl)Cl,20.23
1548	OC1=C(C=CC=C1)N=CC2=C(C=CC=C2)[N+]([O-])=O,75.73
1549	OC1=C(C=CC=C1)N=CC2=CC=C(C=C2)[N+]([O-])=O,75.73
1550	OC1=C(C=CC=C1)N=CC2=CC(=CC=C2)[N+]([O-])=O,75.73
1551	OC1=CC=C(C=C1)N=CC2=CC(=CC=C2)[N+]([O-])=O,75.73
1552	OC1=CC=C(C=C1)N=CC2=C(C=CC=C2)[N+]([O-])=O,75.73
1553	OC1=CC=C(C=C1)N=CC2=CC=C(C=C2)[N+]([O-])=O,75.73
1554	OC1=C(C=CC=C1)N=CC2=CC=CC=C2,32.59
1555	OC1=CC=C(C=C1)N=CC2=CC=CC=C2,32.59
1556	OC1=C(Cl)C(=C(Cl)C(=C1Cl)Cl)Cl,20.23
1557	OC1=CC=C(C=C1)N=CC2=CC=C(Cl)C=C2,32.59
1558	COC1=CC=C(C=C1)C2=NC3=NC(=NC(=C3N=C2C4=CC=C(OC)C=C4)O)N,116.27
1559	OC1=CC(=C(Cl)C=C1)O,40.46
1560	CCCCCCC1=C(O)C=C(O)C=C1,40.46
1561	OC1=CC(=CC=C1)O,40.46
1562	OC1=CC(=CC(=C1)O)O,60.69
1563	OC1=C(O)C=CC=C1,40.46
1564	CCOC(=O)C1=C(N)N=C(O)N=C1,98.33
1565	OC1=CC=NC=N1,46.01
1566	CC1=CC(=C(C=C1C)N=NC2=CC=C(C=C2)C(O)=O)O,82.25
1567	NC1=CC(=C(Cl)C=C1N)Cl,52.04
1568	OS(=O)(=O)C1=CC=CN=C1,67.26
1569	NC1=NC(=C(N=NC2=CC=C(C=C2)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=N1)O)N,226.47
1570	NC(=O)C1=CC=C(C=C1)N=NC2=C(N)N=C(N)N=C2O,165.86
1571	CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N)N=C(N)N=C2O,149.07
1572	NC1=NC(=C(N=NC2=CC=C(C=C2)C(O)=O)C(=N1)O)N,160.07
1573	CCOC(=O)C1=CNC(=S)N(CC)C1=N,70.87
1574	CCOC(=O)C1=C(O)N=C(S)N=C1,72.31
1575	NC1=NC(=C(O)C(=N1)O)N.OS(O)(=O)=O,192.88
1576	NC1=CC(=NC(=N1)S)N,77.82
1577	NC1=CC(=NC(=N1)S)O,72.03
1578	CC1=NC(=NC=C1)O,46.01
1579	OC(=O)C1=C(O)N=C(O)N=C1,103.54
1580	CC(=O)NC1=CC=C(C=C1)C=NNC(N)=O,96.58
1581	NC(=O)NN=CC1=CC=CC=C1,67.48
1582	CC(C)=CCCC(C)=CC=NNC(N)=O,67.48
1583	NC(=O)NN=CC1=C(Cl)C=C(Cl)C=C1,67.48
1584	NC(=O)NN=CC1=C(O)C=C(O)C=C1,107.94
1585	CN(C)C1=CC=C(C=C1)C=NNC(N)=O,70.72
1586	NC(=O)NN=CC1=CC=C(O)C=C1,87.71
1587	CC(C)C1=CC=C(C=C1)C=NNC(N)=O,67.48
1588	COC1=C(C=CC=C1)C=NNC(N)=O,76.71
1589	NC(=O)NN=CC1=CC=CC(=C1)[N+]([O-])=O,110.62
1590	NC(=O)NN=CC1=CC=C(C=C1)[N+]([O-])=O,110.62
1591	NC(=O)N(CCCO)N=CC1=CC=C(O1)[N+]([O-])=O,135.20
1592	NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O,123.76
1593	CCN(CC)CCCNC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O,113.01
1594	NC(=O)NN=CC1=C(O)C=CC=C1,87.71
1595	COC1=C(OC)C=C(C=C1)C=NNC(N)=O,85.94
1596	NC(=S)C1=CC=CC=N1,38.91
1597	NC(=S)C1=CC=NC=C1,38.91
1598	NNC1=CC=C(C=C1)S(O)(=O)=O,92.42
1599	CC1=C(O)N=C(S)N=N1,58.90
1600	CC(C)CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C.CC(CCC=C(C)C)C5CCC6(C)C7=C(CCC56C)C8(C)CCC(O)C(C)(C)C8CC7,40.46
1601	CC(C)CCC[CH](C)[CH]1CC[C]2(C)C3=C(C(=O)C[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3=O,54.37
1602	C[CH](O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C,40.46
1603	C[CH](CCC(O)=O)[CH]1CC[C]2(C)[CH]3CC[CH]4C(C)(C)[CH](O)CC[C]4(C)[CH]3C(=O)C[C]12C,74.60
1604	C[CH](CCC(O)=O)[CH]1CC[C]2(C)[CH]3[CH](C(=O)C[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3=O,91.67
1605	C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C,38.69
1606	CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C,37.30
1607	CC1=NC2=C(C=NN2C3=CC=C(C=C3)[N+]([O-])=O)C(=N1)N4CCCCC4,89.98
1608	CC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NNC4=CC=CC=C4,67.66
1609	CCNC1=C2C=NN(C3=CC=C(C)C=C3)C2=NC(=N1)C,55.63
1610	C(NC1=C2C=NNC2=NC=N1)C3=CC=CO3,79.63
1611	CCNC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C,55.63
1612	CC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC(C)(C)C,55.63
1613	CC1=NC(=C2C=NN(C3=CC=C(Cl)C=C3)C2=N1)NC4=C(Cl)C=CC=C4,55.63
1614	CC1=NC(=C2C=NN(C3=CC=C(Cl)C=C3)C2=N1)NC4=CC(=CC=C4)Br,55.63
1615	CC1=NC(=C2C=NN(C3=CC=C(Cl)C=C3)C2=N1)NC4=CC=C(Cl)C=C4,55.63
1616	CC1=NC(=C2C=NN(C3=CC=C(Cl)C=C3)C2=N1)NC4=CC(=CC=C4)Cl,55.63
1617	CC1=NC(=C2C=NN(C3=CC=C(Cl)C=C3)C2=N1)NC4=C(Cl)C=CC(=C4)Cl,55.63
1618	CC1=NC(=C2C=NN(C3=C(Cl)C=CC=C3)C2=N1)NC4=C(Cl)C=CC=C4,55.63
1619	CC1=NC(=C2C=NN(C3=CC=C(C=C3)[N+]([O-])=O)C2=N1)N,112.76
1620	CC1=NC(=C2C=NN(C3=CC=C(C=C3)[N+]([O-])=O)C2=N1)S,86.74
1621	CC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)S,43.60
1622	NC1=C(C=NN1CCO)C#N,87.86
1623	CC(=O)NC1=C(C=NN1CCOC(C)=O)C#N,97.01
1624	CC1=NNC2=NC=NC(=C12)N,80.48
1625	CN1N=CC2=C(S)N=C(C)N=C12,43.60
1626	CN1N=CC2=C1N=C(C)N=C2NCC3=CC=CO3,68.77
1627	CN1N=CC2=C(NC3=CC=C(C)C=C3)N=C(C)N=C12,55.63
1628	CC1=NN(C2=CC=CC=C2)C(=C1C#N)N,67.63
1629	CC(=O)NC1=C(C#N)C(=NN1)C,81.57
1630	CN1N=C(C)C2=C(N)N=CN=C12,69.62
1631	CCC1=C(NC2=C3C=NN(C)C3=NC(=N2)C)C(=CC=C1)CC,55.63
1632	CN1N=CC2=C(NC3=C(C)C=CC=C3)N=C(C)N=C12,55.63
1633	CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)S,43.60
1634	CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC4=C(Cl)C=CC=C4,55.63
1635	CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC4=CC=C(Cl)C=C4,55.63
1636	CCC1=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC(=N2)CC)C(=CC=C1)CC,55.63
1637	CCC1=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC(=N2)C)C(=CC=C1)CC,55.63
1638	CSC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C,43.60
1639	CCSC1=C2C=NN(C3=CC=CC=C3)C2=NC(=N1)C,43.60
1640	CN1N=C(C)C(=C1N)C#N,67.63
1641	CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC4=CC(=CC=C4)Cl,55.63
1642	CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC4=CC=C(C)C=C4,55.63
1643	CC1=NN(CCO)C(=C1C#N)N,87.86
1644	CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)NC4=C(Cl)C=CC(=C4)Cl,55.63
1645	CN(C)C1=NC(=C2C=NN(C)C2=N1)N(C)C,50.08
1646	CN1N=CC2=C1N=C(NC3=CC=CC=C3)N=C2NC4=CC=CC=C4,67.66
1647	NC1=NC=NC2=C1C=NN2CCO,89.85
1648	CCCCNC1=C2C=NN(C3=CC=C(C=C3)[N+]([O-])=O)C2=NC(=N1)C,98.77
1649	CC1=CC=C(C=C1)S(=O)(=O)O[CH]2COCO[CH]2[CH](OS(=O)(=O)C3=CC=C(C)C=C3)[CH]4OCOC[CH]4OS(=O)(=O)C5=CC=C(C)C=C5,167.03
1650	CC(=O)OC[CH]1O[CH](OC2=C(C)C=CC=C2)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,123.66
1651	CO[CH]1COCO[CH]1[CH](OC)[CH]2OCOC[CH]2OC,64.61
1652	C[CH](OC(=O)C1=CC=CC=C1)[CH](OC(=O)C2=CC=CC=C2)[CH](OC(=O)C3=CC=CC=C3)[CH](COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5,131.50
1653	CC(=O)OC[CH]1O[CH](O[CH]2[CH]3CO[CH](O3)[CH]4OC(C)(C)O[CH]24)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,160.58
1654	CC(=O)OC[CH]1O[CH](OC[CH]2O[CH](O[CH](C#N)C3=CC=CC=C3)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,244.81
1655	OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO,141.61
1656	CC(=O)OC[CH]1O[CH](O[CH]([CH](COC(C)=O)OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,255.16
1657	CO[C]1(CO)OC[CH](O)[CH](O)[CH]1O,99.38
1658	COC[CH]1O[CH](O[C]2(COC)O[CH](COC)[CH](OC)[CH]2OC)[CH](OC)[CH](OC)[CH]1OC,101.53
1659	O=C(O[CH]1CO[CH](O[CH]1[CH](OC(=O)C2=CC=CC=C2)[CH]3O[CH](OC[CH]3OC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7,115.82
1660	OC[CH](O)[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O,150.84
1661	OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO,161.84
1662	CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O,157.80
1663	CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O,157.80
1664	CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O,131.50
1665	CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O,131.50
1666	CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O,131.50
1667	CC1(C)O[CH]2O[CH](COC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH](OC(=O)C5=CC=CC=C5)[CH]2O1,106.59
1668	OC[CH](O)[CH](O)[CH](O)[CH]1OC(=O)[CH](O)[CH]1O,147.68
1669	CO[CH]1O[CH]([CH](O)[CH](O)CO)[CH](O)[CH](O)[CH]1O,139.84
1670	CC(=O)OC[CH]1O[CH](O[CH]2[CH](COC(C)=O)O[CH](SC3=CC=CC=C3)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,211.79
1671	CO[CH]1O[CH]2CO[CH](O[CH]2[CH](O)[CH]1O)C3=CC=CC=C3,77.38
1672	CC(=O)O[CH]1CO[CH](O[CH]1[CH](OC(C)=O)[CH]2O[CH](OC[CH]2OC(C)=O)C3=CC=CC=C3)C4=CC=CC=C4,115.82
1673	OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(=O)NNC1=CC=CC=C1,202.97
1674	OC[CH](O)[CH](O)[CH](O)[CH]1OC(=O)[CH](O)[CH]1O,147.68
1675	OC[CH](O)[CH](O)[CH](O)C(O)=O,118.22
1676	CC(=O)OC[CH]1OC=C[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,185.49
1677	OC[CH](O)[CH](O)[CH](O)C(=O)NNC1=CC=CC=C1,122.05
1678	OC[CH]1OC=C[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O,149.07
1679	CC(=O)OC[CH]1O[CH](OC[CH]2O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,238.09
1680	CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,238.09
1681	CCSC(SCC)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O,105.20
1682	NC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO,144.24
1683	O[CH](COC(=O)C1=CC=CC=C1)[CH](O)[CH](O)[CH](O)COC(=O)C2=CC=CC=C2,133.52
1684	OCC(=O)[CH](O)[CH](O)[CH](O)C(O)=O,135.29
1685	CC(=O)OC[CH]1O[CH](O[C]2(COC(C)=O)O[CH](COC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,238.09
1686	CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,238.09
1687	CC1(C)O[CH]2O[CH]([CH](O)CO)[CH](O)[CH]2O1,88.38
1688	OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(O)(=O)=O,161.23
1689	OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)NC(=O)NC3=CC4=C(C=C3)C(=CC(=C4)S(O)(=O)=O)O,190.33
1690	CC(=O)NC1=CC(=CC=C1)N,55.12
1691	CC(=O)NC1=CC=C(C=O)C=C1,46.17
1692	ClC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O,34.14
1693	CC1=C(N)C=CC(=C1)N.OS(O)(=O)=O,126.64
1694	OC1=CC2=C(C=C1)C=CC(=C2)S(O)(=O)=O,74.60
1695	CC(=O)NC1=CC(=C(NC(C)=O)C=C1)[N+]([O-])=O,101.34
1696	COC1=C(Cl)C=C(N)C=C1,35.25
1697	ClC(=O)C=CC(Cl)=O,34.14
1698	CCOC(=O)C1=C2C=C(OC)C=CC2=NC(=C1)Cl,48.42
1699	CCOC(=O)C1=C2C=C(OC)C=CC2=NC=C1,48.42
1700	CCCC[CH](CC)COC(=O)CCl,26.30
1701	C[CH](Cl)C(Cl)(Cl)[CH](O)NC(=O)CCl,49.33
1702	CCCCCCC(=O)N[CH](O)C(Cl)(Cl)[CH](C)Cl,49.33
1703	CCCCOC(=O)CI,26.30
1704	CCCCCCCCCOC(=O)CI,26.30
1705	CCCCCCNC(=O)CI,29.10
1706	CCCCOC(=O)CSC#N,50.09
1707	CCCCCCCOC(=O)CSC#N,50.09
1708	CCCCCCCCCCCCOC(=O)CSC#N,50.09
1709	CCCCCCOC(=O)[CH](C)SC#N,50.09
1710	CCN(CC)C(S)=S,3.24
1711	CCCCCCCCCCNC(=O)CBr,29.10
1712	CC[CH](C)N([CH](C)CC)C(=O)[CH](C)Br,20.31
1713	CCC(CC)CNC(=O)[CH](C)Br,29.10
1714	CCCCCCCNC(=O)[CH](C)Br,29.10
1715	CNC(=O)CCl,29.10
1716	CCN(CC)C(=O)CCl,20.31
1717	CNC(=O)C(Cl)Cl,29.10
1718	CCCCNC(=O)C(Cl)Cl,29.10
1719	N#CSCC1=CC=CC=C1,23.79
1720	[O-][N+](=O)C1=CC=C(OC(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1,121.81
1721	[O-][N+](=O)C1=CC=C(Cl)C(=C1)OC(=O)OC2=CC(=CC=C2Cl)[N+]([O-])=O,121.81
1722	BrC1=CC(=C(OC[CH]2CO2)C(=C1)Br)Br,21.76
1723	[O-][N+](=O)C1=CC=C(OC[CH]2CO2)C=C1,64.90
1724	[O-][N+](=O)C1=C(OC[CH]2CO2)C=CC=C1,64.90
1725	BrC1=CC2=C(OC3=CC=CC=C23)C=C1,13.14
1726	CCCCCCCC[N+]12CN3CN(CN(C3)C1)C2,9.72
1727	CCOC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1,26.30
1728	OC(=O)C=CC=CC1=CC=C(Cl)C=C1,37.30
1729	CN1N(C2=CC=CC=C2)C(=O)C(=C1C)N,52.95
1730	NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(O)(=O)=O,158.82
1731	NC1=CC=C(C=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(O)(=O)=O,129.72
1732	NC1=CC=CC(=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(O)(=O)=O,129.72
1733	OC1=C2C=C(NC3=CC=CC=C3)C=CC2=C(C=C1)S(O)(=O)=O,86.63
1734	OC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)NC3=CC=CC=C3,86.63
1735	OS(=O)(=O)C1=C2C(=CC=CC2=CC=C1)NC3=CC=CC=C3,66.40
1736	CC(=O)NC(=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O,230.27
1737	CC(=O)OC[CH](OC(C)=O)[CH]1OC(O[CH]([CH](COC(C)=O)OC(C)=O)C1OC(C)=O)C2=CC=CC=C2,149.96
1738	OC[CH](O)[CH]1OC(O[CH]([CH](O)CO)C1O)C2=CC=CC=C2,119.61
1739	O[CH]1CO[CH](O[CH]1[CH](O)[CH]2O[CH](OC[CH]2O)C3=CC=CC=C3)C4=CC=CC=C4,97.61
1740	OC[CH](O)[CH]1OCO[CH]([CH](O)CO)[CH]1O,119.61
1741	O[CH]([CH](O)[CH](O)C1=NC2=CC=CC=C2N1)[CH](O)C3=NC4=CC=CC=C4N3,138.28
1742	C1O[CH](O[CH]1[CH]2O[CH](O[CH]3CO[CH](O[CH]23)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6,55.38
1743	CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O.CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH]2O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,386.66
1744	CC(=O)O[CH]1CO[CH](OC2=C(Br)C=C(Br)C=C2Br)[CH](OC(C)=O)[CH]1OC(C)=O,97.36
1745	CC(C)(O)O.CC1(O)C(O)C(O)C1(O)CO,141.61
1746	O[CH]1COCO[CH]1[CH](O)[CH]2OCOC[CH]2O,97.61
1747	N=C(NC1=C2C=CC=CC2=C3C=CC=CC3=C1)NC4=C5C=CC=CC5=C6C=CC=CC6=C4,47.91
1748	OC1=CC=C2C=CC3=C(C=CC=C3)C2=C1C=O,37.30
1749	NNC(=O)CCC1=CC2=C3C=CC=CC3=CC=C2C=C1,55.12
1750	CCN(CC)C[CH](O)C1=CC2=C3C=C(O)C=CC3=CC=C2C=C1,43.70
1751	OC(=O)C=CC1=C(Cl)C=CC=C1Cl,37.30
1752	CCOC(=O)CCC(=O)C1=C2C=CC=CC2=C(OC)C=C1,52.60
1753	CCCCCCCCCNCCCCCCCCC,12.03
1754	CCCCCCCCNCCCCCCCC,12.03
1755	NC1=CC2=C3C=CC=CC3=CC=C2C=C1,26.02
1756	CC(C)(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2,40.46
1757	CCCCCCCCN(CCO)CCCCCCCC,23.47
1758	C[CH](C1=CC=CC=C1)C2=C(O)C=CC=C2,20.23
1759	C[CH](C1=CC=CC=C1)C2=C(O)C=CC(=C2)C,20.23
1760	CN(C)C(=S)SSC(=S)N(C)C,6.48
1761	CC1=CC=CC(=C1O)C(O)=O,57.53
1762	CCCCCCCCCC(=O)CCCCCCCCC,17.07
1763	CC(=O)NC1=CC=C(C=O)C=C1,46.17
1764	CCC(C)(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2,40.46
1765	COC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1,26.30
1766	OS(=O)(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1,54.37
1767	OC(=O)C=CC=CC1=CC=CC=C1,37.30
1768	CC(=O)OC1=CC2=C3C=C(C=CC3=CC=C2C=C1)C(C)=O,43.37
1769	NC1=CC=C(C=C1)C=CC(O)=O,63.32
1770	NCCC1=CC2=C3C=CC=CC3=CC=C2C=C1,26.02
1771	CC1=CC2=C(C=C1)N=C(C)C=C2,12.89
1772	CCOC1=C(C=O)C=CC=C1,26.30
1773	CN(C)C1=C(C)C=CC=C1,3.24
1774	CN(C)C1=CC=C(C)C=C1,3.24
1775	[O-][N+](=O)C1=CC(=C(NC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=C1)[N+]([O-])=O)[N+]([O-])=O,270.87
1776	BrC1=CC=C(OC2=CC=C(Br)C=C2)C=C1,9.23
1777	CN(C)C1=CC=CC(=C1)C,3.24
1778	CC1=NC2=C(C=CC=C2)N=C1C,25.78
1779	OCC#N,44.02
1780	C[CH]1C=C(C)C[CH]([CH]1C(O)=O)C(O)=O,74.60
1781	CCCCCCCCCCCCCCCCCCOC(=O)OCCCCCCCCCCCCCCCCCC,35.53
1782	OS(=O)(=O)C1=C(C=CC2=C(C=C(C=C2)[N+]([O-])=O)S(O)(=O)=O)C=CC(=C1)[N+]([O-])=O,195.02
1783	CCOC(=O)CC(=C)C(=O)OCC,52.60
1784	CC1=CC(=C(C=C1)C(=O)CCl)C,17.07
1785	[O-][N+](=NC1=CC=CC=C1)C2=CC=CC=C2,38.43
1786	CC1=C(C=CC=C1)N=NC2=CC(=C(N)C=C2)C,50.74
1787	CC(=O)OC(OC(C)=O)C1=C(OC(C)=O)C(=CC(=C1)Br)Br,78.90
1788	CN(C)C1=CC(=C(CC2=C(Cl)C=C(C=C2N)N(C)C)C(=C1)N)Cl,58.52
1789	CNC1=CC=C(NC)C=C1.OC(=O)C(O)=O,98.66
1790	O=CNC1=C(C=CC=C1)C2=CC=CC=C2,29.10
1791	CCCCCCCCCC(C)(C)SCCOCCOCCOCCOCCOCCOCCOCCOCCO,94.07
1792	CCOC1=CC(=CC=C1O)C=O,46.53
1793	CCCCCCCCCCCC#N,23.79
1794	CCN(CC1=CC=CC=C1)C2=CC=CC=C2,3.24
1795	OC1=CC=C(C=C1)S(=O)C2=CC=C(O)C=C2,57.53
1796	CC1=CC=C(C=C1)C(=O)C2=CC=C(C)C=C2,17.07
1797	CC(C)NC(C)C,12.03
1798	CCOC1=C(O)C=CC=C1,29.46
1799	OC1=C2N=CC=CC2=C(Br)C=C1Br,33.12
1800	CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC,71.06
1801	NC(=O)CC(O)=O,80.39
1802	CCC(CC)C1=CC=[N+](C=C1)[Cu](SC#N)(SC#N)[N+]2=CC=C(C=C2)C(CC)CC,55.34
1803	CCC(CC)C1=CC=[N+](C=C1)[Cu](SC#N)(SC#N)[N+]2=CC=C(C=C2)C(CC)CC,55.34
1804	SC#N.C1=CC=[N+](C=C1)[Zn++]([N+]2=CC=CC=C2)([N+]3=CC=CC=C3)[N+]4=CC=CC=C4,39.31
1805	CCC1=CC=[N+](C=C1)[Mn](SC#N)(SC#N)([N+]2=CC=C(CC)C=C2)([N+]3=CC=C(CC)C=C3)[N+]4=CC=C(CC)C=C4,63.10
1806	N#CS[Mn](SC#N)([N+]1=CC=CC=C1)([N+]2=CC=CC=C2)([N+]3=CC=CC=C3)[N+]4=CC=CC=C4,63.10
1807	CC1=CC=[N+](C=C1)[Ni](SC#N)(SC#N)([N+]2=CC=C(C)C=C2)([N+]3=CC=C(C)C=C3)[N+]4=CC=C(C)C=C4,63.10
1808	Cl[Cu](Cl)([N+]1=C2C=CC=CC2=CC=C1)[N+]3=C4C=CC=CC4=CC=C3,7.76
1809	CCC1=CC=[N+](C=C1)[Cu](SC#N)(SC#N)[N+]2=CC=C(CC)C=C2,55.34
1810	N#CS[Co](SC#N)([N+]1=CC=CC=C1)([N+]2=CC=CC=C2)([N+]3=CC=CC=C3)[N+]4=CC=CC=C4,63.10
1811	CC1=CC=[N+](C=C1)[Mn](SC#N)(SC#N)([N+]2=CC=C(C)C=C2)([N+]3=CC=C(C)C=C3)[N+]4=CC=C(C)C=C4,63.10
1812	CCC1=CC=[N+](C=C1)[Cd](SC#N)(SC#N)[N+]2=CC=C(CC)C=C2,55.34
1813	CCCC1=CC=[N+](C=C1)[Zn++]([N+]2=CC=C(CCC)C=C2)([N+]3=CC=C(CCC)C=C3)[N+]4=CC=C(CCC)C=C4.SC#N,39.31
1814	CCC(CC)C1=CC=[N+](C=C1)[Mn+3]([SH+]C#N)([SH+]C#N)([N+]2=CC=C(C=C2)C(CC)CC)([N+]3=CC=C(C=C3)C(CC)CC)[N+]4=CC=C(C=C4)C(CC)CC.SC#N,86.89
1815	CC1=[N+](C=CC=C1)[Cu](Cl)(Cl)[N+]2=C(C)C=CC=C2,7.76
1816	CC1=CC=[N+](C=C1)[Cd](SC#N)(SC#N)[N+]2=CC=C(C)C=C2,55.34
1817	CC1=CC=[N+](C=C1)[Cu](SC#N)(SC#N)[N+]2=CC=C(C)C=C2,55.34
1818	CCCCCC1=CC=[N+](C=C1)[Cu](Cl)(Cl)[N+]2=CC=C(CCCCC)C=C2,7.76
1819	CC1=CC=[N+](C=C1)[Zn++]([N+]2=CC=C(C)C=C2)([N+]3=CC=C(C)C=C3)[N+]4=CC=C(C)C=C4.SC#N,39.31
1820	CCC(CC)C1=CC=[N+](C=C1)[Cu](Cl)(Cl)[N+]2=CC=C(C=C2)C(CC)CC,7.76
1821	CC1=[N+](C=CC=C1)[Co](SC#N)(SC#N)([N+]2=C(C)C=CC=C2)([N+]3=C(C)C=CC=C3)[N+]4=C(C)C=CC=C4,63.10
1822	N#CS[Cu](SC#N)([N+]1=C2C=CC=CC2=CC=C1)[N+]3=C4C=CC=CC4=CC=C3,55.34
1823	C1CN[Cr]23(N1)(NCCN2)NCCN3,72.18
1824	N#CS[Cd](SC#N)([N+]1=CC=CC=C1)[N+]2=CC=CC=C2,55.34
1825	CCCCCC1=CC=[N+](C=C1)[Ni](SC#N)(SC#N)([N+]2=CC=C(CCCCC)C=C2)([N+]3=CC=C(CCCCC)C=C3)[N+]4=CC=C(CCCCC)C=C4,63.10
1826	N[Co+3](N)(N)(N)(N)N.Cl[Hg](Cl)Cl,156.12
1827	N[Co](N)(N)([NH3+])([NH3+])[NH3+].Cl[Sb-3](Cl)(Cl)(Cl)(Cl)Cl,160.98
1828	CCOC1=CC=C(NC(N)=O)C=C1,64.35
1829	OCC1=C2C=CC=CC2=C3C=CC=CC3=C1,20.23
1830	CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O,105.20
1831	CC(C)[CH]1CC=C(C)C=C1,0.00
1832	CC(CC(C)=NO)=NO,65.18
1833	ClC1=C(Cl)C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2,43.37
1834	N#CCCCOC1=CC=CC=C1,33.02
1835	CCCCN(CCCC)CCC[CH](O)C1=CC=CC=C1,23.47
1836	OS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2,79.09
1837	C[N+](C)(C)CCC1=CC=CC=C1,0.00
1838	CN(C)CCC1=CC=CC=C1,3.24
1839	NC1=C(C=CC=C1)C=C(C(O)=O)C2=CC=CC=C2,63.32
1840	OC1=CC=C(C=C1)S(O)(=O)=O,74.60
1841	ClCCOCCOC1=CC=CC=C1,18.46
1842	N#CCCCC1=CC=CC=C1,23.79
1843	S1C2=C(C=CC=C2)N=C1C3=CC=CC=C3,12.89
1844	OC(=O)COC1=CC=CC(=C1)OCC(O)=O,93.06
1845	CCC1=C(Cl)C(=C(Cl)C(=C1Cl)Cl)Cl,0.00
1846	ClC1=C(Cl)C(=C(Cl)C(=C1)Cl)Cl,0.00
1847	OC1=CC=C(C=C1)C2=CC=CC=C2,20.23
1848	C[CH](C1=CC=CC=C1)C2=CC=C(O)C=C2,20.23
1849	CC[CH](C(O)=O)C1=CC=CC=C1,37.30
1850	CC[CH](C(N)=O)C1=CC=CC=C1,43.09
1851	OCCOC1=CC=C(OCCO)C=C1,58.92
1852	COC1=CC2=C(C=C1)N(CCCCCCCN3CCCCC3)CCC2,15.71
1853	OCCOC1=CC=CC=C1,29.46
1854	NC(=O)COC1=CC=CC=C1,52.32
1855	C[CH](OC1=CC=CC=C1)C(O)=O,46.53
1856	OC1=C2C=CC=CC2=CC=C1C(=O)OC3=CC=CC=C3,46.53
1857	ClC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2,43.37
1858	NNC1=C(Cl)C=C(Cl)C=C1Cl,38.05
1859	O[CH]1CCCC[CH]1C2=CC=CC=C2,20.23
1860	NS(O)(=O)=O,80.39
1861	[O-][N+](=O)C1=CC(=C(Cl)C(=C1)[N+]([O-])=O)[N+]([O-])=O,129.42
1862	COC1=C(NC(C)=O)C=CC(=C1)N,64.35
1863	N(NC1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3,36.95
1864	CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2,17.07
1865	CC(=O)COC1=CC=CC=C1,26.30
1866	NC(=O)CC1=CC=CC=C1,43.09
1867	C1CCC2=C3C=CC=CC3=C(CCC4=C5C=CC=CC5=C6CCCCC6=C4)C=C2C1,0.00
1868	NC1=NC(=C(C=C1)N=NC2=CC=CC=C2)N,89.65
1869	OC[CH]1COC2=C(O1)C=CC=C2,38.69
1870	CC(C)(C1=CC(=C(O)C=C1)[N+]([O-])=O)C2=CC(=C(O)C=C2)[N+]([O-])=O,126.74
1871	NC1=C(Br)C=C(CC2=CC(=C(N)C=C2)Br)C=C1,52.04
1872	COC1=CC(=C2N=CC=CC2=C1)[N+]([O-])=O,65.26
1873	NC1=CC=C(C=C1)S(=O)(=O)C2=CNC(=N)S2,99.80
1874	OC(=O)C1=CC(=CC=C1O)C2=CC=CC=C2,57.53
1875	OC(=O)C1=CC=CC(=C1O)C2=CC=CC=C2,57.53
1876	OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,37.30
1877	CC(C)C1=CC=C(O)C=C1,20.23
1878	CC1=C(C)C(=C(C)C(=C1)C)C,0.00
1879	CC(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2,43.37
1880	NNC(NN)=NN,114.48
1881	O=C1NNC(=O)N1,81.51
1882	NC(=S)C(N)=S,52.04
1883	OC(=O)CS,37.30
1884	N=C1NNC(=N)N1,95.07
1885	COC(N)=N,59.10
1886	NC(=O)NNC(N)=O,110.24
1887	OCCS(O)(=O)=O,74.60
1888	O=C1CSC(=S)N1,29.10
1889	N=C1NC=CS1,39.64
1890	NC(=N)NCC(O)=O,99.20
1891	CSCCO,20.23
1892	OC(=O)C#CC(O)=O,74.60
1893	OC(=O)[CH](Br)[CH](Br)C(O)=O,74.60
1894	O=C1CC=NC(=S)N1,41.46
1895	SC(=S)N1CCCCC1.C2CCNCC2,15.27
1896	CC(C)C1=CC=C(C=C1)C(O)=O,37.30
1897	OC(=O)C1=C(N=CC=N1)C(O)=O,100.38
1898	C1=CC=[N+](C=C1)C2=CC=NC=C2,16.77
1899	C[As](C)(O)=O,37.30
1900	N#CSCCSC#N,47.58
1901	NC1=NC=CC=N1,51.80
1902	C[CH]1COC(=O)O1,35.53
1903	O[CH]([CH](O)C(O)=O)C(O)=O,115.06
1904	NC(=S)NCC=C,38.05
1905	CN1CNC(=O)NC1,44.37
1906	CN(C)CCCl,3.24
1907	CN(C)S(=O)(=O)N(C)C,40.62
1908	ON=CC1=CC=CO1,45.73
1909	CC(=O)N1CC(=O)NC1=S,49.41
1910	NC1=NC(=CC=C1)N,64.93
1911	OC(=O)C1=C2C=CC=CC2=C3C=CC=CC3=C1,37.30
1912	OC1=CC2=C(C=C1)C3=CC=CN=C3C4=C2C=CC=C4,33.12
1913	NC(=O)C1=C2C=CC=CC2=C3C=CC=CC3=C1,43.09
1914	COC(=O)CCC1=C2C=CC=CC2=C3C=CC=CC3=C1,26.30
1915	C[N+]1=C2C=CC=CC2=C3C=CC=CC3=C1,3.88
1916	CC(O)=O.C1NC2=CC=CC=C2C3=C1C=CC=C3,49.33
1917	NNC(=O)CCC1=C2C=CC=CC2=C3C=CC=CC3=C1,55.12
1918	COC1=CC2=C3C=CC=CC3=C(C=C2C=C1)C(C)=O,26.30
1919	OC(=O)C=CC1=C2C=CC=CC2=C3C=CC=CC3=C1,37.30
1920	CN(C)C[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1,23.47
1921	O=CC1=C2C=CC=CC2=C3C=CC=CC3=C1,17.07
1922	CC(=O)N1C2=C(C=CC=C2)S(=O)C3=C1C=CC=C3,37.38
1923	NNC(=O)NN,93.17
1924	NNC(=O)NC(N)=O,110.24
1925	NN1C(=N)NNC1=N,110.23
1926	C1SCSCS1,0.00
1927	S=C1NCCN1,24.06
1928	CC1=NC(=NC=C1)N,51.80
1929	CC(=O)C1CC1,17.07
1930	OC[CH](O)[CH](O)[CH](O)C=O,97.99
1931	OCC1=CC(=O)C(=CO1)O,70.67
1932	OC1=CC=C(C=C1)[As](O)(O)=O,77.76
1933	OC[CH](O)[CH](O)[CH](O)[CH](O)CO,121.38
1934	OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O,138.45
1935	OCCN1CCOCC1,32.70
1936	OC[CH]1O[CH](OC2=C(C=CC=C2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O,142.52
1937	C[CH](O)[CH](O)[CH](O)[CH](O)CO,101.15
1938	CO[CH]1O[CH](COS(=O)(=O)C2=CC=C(C)C=C2)[CH](OC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]1OC(=O)C5=CC=CC=C5,140.73
1939	CC(=O)OC[CH]1O[CH](OCCCC2=CC=CC=C2)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,123.66
1940	OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(=O)NNC1=CC=CC=C1,162.51
1941	C[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO,121.38
1942	CO[CH]1O[CH]2CO[CH](O[CH]2[CH](O)[CH]1O)C3=CC=CC=C3,77.38
1943	COC1=CC2=C(C=C1)N=CC=C2,22.12
1944	CCSC(SCC)[CH](O)[CH](O)[CH](O)[CH](C)O,80.92
1945	CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O,238.09
1946	C[CH](O)[CH](O)[CH](O)[CH](O)CO,101.15
1947	CC1=CC=C(C=C1)S(=O)(=O)NN=C[CH](O)[CH](O)[CH](O)[CH](O)CO,159.68
1948	C[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(=O)NNC1=CC=CC=C1,142.28
1949	C[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O,138.45
1950	CO[CH]1O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]1O,119.61
1951	C[CH](O)[CH](O)[CH](O)[CH](O)C(C=NNC1=CC=CC=C1)=NNC2=CC=CC=C2,129.70
1952	CO[CH]1O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O,123.66
1953	N1C=CC2=CC=CC=C12,15.79
1954	O=C1C2=C(CC3=C1C=CC=C3)C=CC=C2,17.07
1955	OC(=O)C1=C(C=CC=C1)C2=C(C=CC=C2)C(O)=O,74.60
1956	C=CCNC1=CC=CC=C1,12.03
1957	O=C(CC(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3,17.07
1958	NC(=O)CC1=CNC2=C1C=CC=C2,58.88
1959	CCOC(=O)[CH](C(=O)CC1=CC=CC=C1)C2=CC=CC=C2,43.37
1960	OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O,107.22
1961	OC[CH](O)[CH](O)[CH](O)[CH](O)C(SCC1=CC=CC=C1)SCC2=CC=CC=C2,101.15
1962	OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4,40.46
1963	OC[CH]1OC[CH](O)[CH](O)[CH]1O,90.15
1964	CO[CH]1OC[CH](O)[CH](O)[CH]1O,79.15
1965	OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO,141.61
1966	OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C=O,138.45
1967	COCC1=C(O[CH]2O[CH](CO)[CH](OC)[CH](OC)[CH]2OC)C=CC=C1,75.61
1968	N[CH](CC(O)=O)C1=CC=CC=C1,63.32
1969	N1C2=CC=CC=C2SC3=C1C=CC4=C3C=CC=C4,12.03
1970	NC1=C2C=CC=CC2=C3C=CC=CC3=C1,26.02
1971	O=S(=O)(N1CCOCC1)N2CCOCC2,59.08
1972	O=C(C=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2,34.14
1973	CCC1=CC=C(C)N=C1,12.89
1974	CCOC(=O)C(Br)C(=O)OCC,52.60
1975	CCC(CC)(C(O)=O)C(O)=O,74.60
1976	COC1=CC=C(C=C1)C=NN=CC2=CC=C(OC)C=C2,43.18
1977	ON=C1C2=C(C=CC=C2)C3=CC=CC=C13,32.59
1978	CC1=C(C=CC(=C1)N)C2=C(C)C=C(N)C=C2,52.04
1979	ClC1=CC=CC(=C1)C=CC(=O)C2=CC=CC=C2,17.07
1980	O=C(C=CC=CC1=CC=CC=C1)C2=CC=CC=C2,17.07
1981	O=C(N1CCCCC1)C2=CC=CC=C2,20.31
1982	[O-][N+](=O)C1=C2C=CC=C(Br)C2=CC=C1,43.14
1983	[O-][N+](=O)C1=C(C=CC=C1)C#N,66.93
1984	CC1=[N+](C=CC=C1)[Cd](SC#N)(SC#N)[N+]2=C(C)C=CC=C2,55.34
1985	CC1=CC=[N+](C=C1)[Co](SC#N)(SC#N)([N+]2=CC=C(C)C=C2)([N+]3=CC=C(C)C=C3)[N+]4=CC=C(C)C=C4,63.10
1986	CCCCCC1=CC=[N+](C=C1)[Co](SC#N)(SC#N)([N+]2=CC=C(CCCCC)C=C2)([N+]3=CC=C(CCCCC)C=C3)[N+]4=CC=C(CCCCC)C=C4,63.10
1987	CCCCCC1=CC=[N+](C=C1)[Cd](SC#N)(SC#N)[N+]2=CC=C(CCCCC)C=C2,55.34
1988	CCCCCC1=CC=[N+](C=C1)[Mn+3]([SH+]C#N)([SH+]C#N)([N+]2=CC=C(CCCCC)C=C2)([N+]3=CC=C(CCCCC)C=C3)[N+]4=CC=C(CCCCC)C=C4.SC#N,86.89
1989	CCCCCC1=CC=[N+](C=C1)[Cu](SC#N)(SC#N)[N+]2=CC=C(CCCCC)C=C2,55.34
1990	CCC(CC)C1=CC=[N+](C=C1)[Ni](SC#N)(SC#N)([N+]2=CC=C(C=C2)C(CC)CC)([N+]3=CC=C(C=C3)C(CC)CC)[N+]4=CC=C(C=C4)C(CC)CC,63.10
1991	CCC(CC)C1=CC=[N+](C=C1)[Co](SC#N)(SC#N)([N+]2=CC=C(C=C2)C(CC)CC)([N+]3=CC=C(C=C3)C(CC)CC)[N+]4=CC=C(C=C4)C(CC)CC,63.10
1992	CCC1=CC=[N+](C=C1)[Zn++]([N+]2=CC=C(CC)C=C2)([N+]3=CC=C(CC)C=C3)[N+]4=CC=C(CC)C=C4.SC#N,39.31
1993	N[Cr](N)(N)(N)(N)N,156.12
1994	CCCCC(CCCC)C1=CC=[N+](C=C1)[Cu](SC#N)(SC#N)[N+]2=CC=C(C=C2)C(CCCC)CCCC,55.34
1995	N[Cu++](N)(N)(N)([NH+]=C=S)[NH+]=C=S.SC#N.C1=CC2=C(C=C1)N=CC=C2,168.70
1996	CCCC1=CC=[N+](C=C1)[Mn+3]([SH+]C#N)([SH+]C#N)([N+]2=CC=C(CCC)C=C2)([N+]3=CC=C(CCC)C=C3)[N+]4=CC=C(CCC)C=C4.SC#N,86.89
1997	[O-][N+](=O)O[Cu](O[N+]([O-])=O)([N+]1=C2C=CC=CC2=CC=C1)[N+]3=C4C=CC=CC4=CC=C3,112.50
1998	ClC1=C(Cl)N=C(Cl)C(=C1)Cl,12.89
1999	OC(=O)C1=C(Cl)C=C(Cl)C=N1,50.19
2000	O=C(NC1=CC=CC=N1)C2=CC=CC=C2,41.99
2001	CCCCCCCCCCCC[N+]1=CC=C(CCCCCCCCC)C=C1,3.88
2002	OC(=O)CCCCCCCCC=C,37.30
2003	CC(=CC1=CC=CC=C1)[N+]([O-])=O,43.14
2004	CC(C1=CC=CC=C1)=C(C)C2=CC=CC=C2,0.00
2005	ClC1=C(C=CC=C1)C=NN=CC2=C(Cl)C=CC=C2,24.72
2006	CN(C)C1=NC(=NC(=C1)C)Cl,29.02
2007	N#CC(=CC1=CC=CC=C1)C2=CC=CC=C2,23.79
2008	CC(=O)[CH]1CCOC1=O,43.37
2009	NC(=N)C1=CC=CC=C1,49.87
2010	CCCCCCCCN[CH](C(=O)C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2,29.10
2011	ClS(=O)(=O)C1=C2C=CC=C(C2=CC=C1)S(Cl)(=O)=O,68.28
2012	NC1=CC=C(C=C1)[As](O)(O)=O,83.55
2013	CCC(CO)(CO)[N+]([O-])=O,83.60
2014	OC[CH]1O[CH](OC[CH]2O[CH](O[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O,268.68
2015	CCOC(=O)[CH](C(=O)CC1=CC=CC=C1)C2=CC=CC=C2,43.37
2016	OC[CH](O)[CH](O)[CH](O)C(C=NNC1=CC=CC=C1)=NNC2=CC=CC=C2,129.70
2017	OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)[CH](O)C=O)[CH](O)[CH](O)[CH]1O,197.37
2018	CC1=C2C(=CSC2=CC(=C1)Cl)O,20.23
2019	CC1=CC(=NC(=N1)O)C,46.01
2020	NC(=N)NC#N,85.69
2021	NC1=CC=C(C=C1)N=NC2=CC=CC=C2,50.74
2022	C12C3=C4C5=C1[Fe]23456789C%10C6=C7C8=C9%10,0.00
2023	S1C2=C(C=CC=C2)N=C1C3=CC=CC=C3,12.89
2024	OC1=C(CCC[CH]2CC[CH]3CCCC[CH]3C2)C(=O)C4=C(C=CC=C4)C1=O,54.37
2025	CCOC(=O)C1=C(O)C2=CC(=CC(=C2N=C1)[N+]([O-])=O)OC,111.79
2026	N1C2=CC=CC=C2SC3=C1C=CC=C3,12.03
2027	OC(=O)CCCCC1CCCCC1,37.30
2028	OC1=C2N=CC=CC2=CC=C1,33.12
2029	N#CCCSCCC#N,47.58
2030	S=C1NC2=CC=CC=C2S1,15.79
2031	CCC=CCC=CCC=CCCCCCCCC(O)=O,37.30
2032	NP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2,61.55
2033	OC1=CC2=C(C=CC=C2)C=C1,20.23
2034	[O-][N+](=O)C1=C2N=CC(=CC2=CC=C1)Br,56.03
2035	CCOC(=O)C1=C(C)C(=C(C)N1)C(=O)OCC,68.39
2036	CCCCN[CH](C(=O)C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2,29.10
2037	CCCCCC[Se]C#N,23.79
2038	O=C(C=CC1=CC=CO1)C2=CC=CC=C2,30.21
2039	NC(=O)CNC1=CC=C(C=C1)[As](O)(O)=O,112.65
2040	ClC(Cl)=NC1=CC=CC=C1,12.36
2041	CCN(CC)C[CH](O)C1=CC2=C3C=CC=CC3=CC=C2C=C1,23.47
2042	OC(C1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6,20.23
2043	OP(=O)(C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=C(C=C2)[N+]([O-])=O,123.58
2044	CCOB(OCC)OCC,27.69
2045	C[CH](O)[CH](O)[CH](O)[CH](O)C=O,97.99
2046	CC1=C2C=CC=CC2=NC(=C1)O,33.12
2047	CCN(CC)CCC(C1=CC=CC=C1)C2=CC=CC=C2,3.24
2048	CCN(CC)CCCl,3.24
2049	O=C1C(=C(C2=CC=CC=C2)C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5,17.07
2050	O=CC=CC1=CC=CO1,30.21
2051	ClS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(Cl)(=O)=O,68.28
2052	CC(=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2,17.07
2053	CC(=O)NNC1=CC=CC=C1,41.13
2054	CC(=O)C=CC1=CC=CO1,30.21
2055	CN1C(=O)N(C)C2=C(N=CN2)C1=O,72.68
2056	OC(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O,80.44
2057	CC1=C(C)C(=O)C(=C(C)C1=O)C,34.14
2058	C1=CC=C(C=C1)C=CC2=CC=CC=C2,0.00
2059	OC(=O)COC1=CC2=C(C=CC=C2)C=C1,46.53
2060	O=C1N[CH](CC2=CC=CC=C2)C(=O)N[CH]1CC3=CC=CC=C3,58.20
2061	CCC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1,17.07
2062	OC1=CC2=C(C=C(C=C2C=C1)S(O)(=O)=O)S(O)(=O)=O,128.97
2063	CCCCCCCN,26.02
2064	CC1=CC(=CC=C1N)[N+]([O-])=O,69.16
2065	OC(=O)C=CC1=C(Cl)C=C(Cl)C=C1,37.30
2066	N(N=NC1=CC=CC=C1)C2=CC=CC=C2,36.75
2067	ClC1=CC=C(C=O)C=C1,17.07
2068	OC1=C(C=CC=C1)C=NCCN=CC2=C(O)C=CC=C2,65.18
2069	OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[C]2(CO)O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]1O,268.68
2070	OC(=O)CCC(=O)C1=CC2=C(C=CC=C2)C=C1,54.37
2071	CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O,106.51
2072	NC1=CC(=C(C=C1)C(O)=O)O,83.55
2073	CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](Cl)CC[C]4(C)[CH]3CC[C]12C,0.00
2074	NC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,26.02
2075	CCN(CC)CCC(=O)C1=CC2=C3C=CC=CC3=CC=C2C=C1,20.31
2076	OC(=O)C1=C(C=CC=C1)C2=C3C=C(Br)C(=O)C(=C3OC4=C2C=C(Br)C(=C4Br)O)Br,87.74
2077	CCN(CC)CCC[CH](C)NC1=C2C=CC(=CC2=NC=C1C)Cl.OP(O)(O)=O,105.92
2078	C[CH](CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C,27.03
2079	CCN1CCCCC1,3.24
2080	CCN(CCO)[CH](C(=O)C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2,40.54
2081	OC(=O)CCC(=O)C1=CC=CC=C1,54.37
2082	OC[CH]1O[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O,189.53
2083	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,0.00
2084	COC1=CC2=C(Cl)C3=C(C=C(Cl)C=C3)N=C2C=C1,22.12
2085	NNC(=O)NNC(N)=O,122.27
2086	CCCCCCCCCCCCCC[CH](O)C(O)=O,57.53
2087	BrC1=CC=C(C=C1)C2=CC=C(Br)C=C2,0.00
2088	[O-][N+](=O)C1=CC=CC(=C1)N=CC2=CC=CC=C2,55.50
2089	NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O,123.76
2090	OC1=CC=C(C=C1[N+]([O-])=O)[As](O)(O)=O,120.90
2091	C1=CC=C(C=C1)N=NC2=CC=CC=C2,24.72
2092	CCCCCCC(=O)CCCCCCCCCCC(O)=O,54.37
2093	OC1=CC=C2C=CC=CC2=C1C=O,37.30
2094	CC(C)OC(=O)NC1=CC=CC=C1,38.33
2095	CCC(=O)C([CH](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,20.31
2096	[O-][N+](=O)C1=CC=C(O1)C=NN2CC(=O)NC2=O,118.05
2097	OC1=NC(=C2C=CC=CC2=N1)O,66.24
2098	OC(=O)CC1=CC=C(C=C1)C(O)=O,74.60
2099	O[Hg]C1=CC=CC=C1.[O-][N+](=O)(=O)[Hg]C2=CC=CC=C2,77.43
2100	CCC(=N)C([CH](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,27.09
2101	CC1=CC=C(NN)C=C1,38.05
2102	CCOC1=CC=C(OCC)C=C1,18.46
2103	NC1=C(Cl)C=C(Cl)C=C1Cl,26.02
2104	C[CH]1CCCO1,9.23
2105	CCCCS(=O)(=O)CCCC,34.14
2106	NNC(=O)C1=CC2=C(C=CC=C2)C=C1O,75.35
2107	OC(CCl)(CCl)CCl,20.23
2108	NC(N)=N.SC#N,99.68
2109	CC(N)=S,26.02
2110	OC(=O)CN(CC(O)=O)CC(O)=O,115.14
2111	NN,52.04
2112	CC1=C(O)C(=CC=C1)C,20.23
2113	OC(=O)CCI,37.30
2114	OC(=O)CI,37.30
2115	SCC(=O)NC1=CC=CC=C1,29.10
2116	OC1=CC=C(C=O)C=C1,37.30
2117	S=C1NC2=CC=CC=C2O1,28.93
2118	COC1=C(O)C(=CC(=C1)C(O)=O)OC,75.99
2119	NC1=NC(=NC(=N1)N)N,116.73
2120	ClC1=C(Cl)C(Cl)(Cl)C(=C(Cl)C1=O)Cl,17.07
2121	OC1=CC=C(OCC2=CC=CC=C2)C=C1,29.46
2122	O=C(CC(=O)NC1=CC=CC=C1)NC2=CC=CC=C2,58.20
2123	NC(=O)CC(N)=O,86.18
2124	CC(=O)NC1=CC=C(N)C=C1,55.12
2125	OC1=C(Br)C=C(Br)C=C1Br,20.23
2126	CCCCCCCCCCCCCCCC#N,23.79
2127	CC(C)=CCC[C](C)(OC(C)=O)C=C,26.30
2128	COC1=CC=C(C=C1)C=CC2=CC=CC=C2,9.23
2129	CN(C(C)=O)C1=CC=CC=C1,20.31
2130	COC(=O)[C]1(C)CCC[C]2(C)[CH]3CCC(=CC3=CC[CH]12)C(C)C,26.30
2131	COC[C](C)(CO)C[CH](C)CO,49.69
2132	COCCOC=C,18.46
2133	OCCC1=CC=CC=N1,33.12
2134	CO[CH](C)CC(O)=O,46.53
2135	COC1=CC(=CC=C1O)C(C)=O,46.53
2136	COCCOC(=O)C1=C(C=CC=C1)C(=O)OCCOC,71.06
2137	COC1=C(C=CC=C1)C2=CC=CC=C2,9.23
2138	CC(=O)OC1=CC(=C(OC(C)=O)C=C1)OC(C)=O,78.90
2139	COC1=CC=CC(=C1O)C=O,46.53
2140	COC1=CC=C(CO)C=C1,29.46
2141	CC1=C(NCCO)C=CC=C1,32.26
2142	CC1=CC=CC(=C1)NCCO,32.26
2143	CC1=CC=C(NCCO)C=C1,32.26
2144	CC1=NC(=CC=C1)C,12.89
2145	CC1=CC(=NC=C1)C,12.89
2146	CC1=C(C)N=CC=C1,12.89
2147	OC(=O)CCCC1CCCCC1,37.30
2148	OC(=O)CC1CCCCC1,37.30
2149	CCCCN(CCCC)CCCCCCCCCCO,23.47
2150	CC(=O)NC1=CC=C(I)C=C1,29.10
2151	O=CC1=CC=CS1,17.07
2152	CC1=CC=C(C=C1)C(N)=O,43.09
2153	C[CH](O)[CH](C)O,40.46
2154	OC1=C(Cl)C=C(Cl)C=C1Cl,20.23
2155	CN(C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,175.80
2156	CC1=CC=C(C=C1)S(O)(=O)=O,54.37
2157	FC(Cl)(Cl)C(Cl)(Cl)C(F)(Cl)Cl,0.00
2158	CC1=C(C=CC=C1)C(N)=O,43.09
2159	CC1=CC=CC(=C1)C(N)=O,43.09
2160	NC(N)=N.OC(O)=O,133.42
2161	CCCCCCC#N,23.79
2162	CCCCNCCSCCC1=CC=CC=C1,12.03
2163	OC(=O)CCCCCC1CCCCC1,37.30
2164	CCCCOC(=O)[CH](O)[CH](O)C(=O)OCCCC,93.06
2165	CC(C)(C)C1=CC=C(OCCO)C=C1,29.46
2166	CC1=CC(=CC=C1)NC(N)=O,55.12
2167	CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2,46.17
2168	CC=C(C)C=O,17.07
2169	CCCCNS(=O)(=O)C1=CC=C(C)C=C1,46.17
2170	CC1=CC=C(OP(=O)(OC2=CC=C(C)C=C2)OC3=CC=C(C)C=C3)C=C1,44.76
2171	CCCCOP(O)(O)=O.CCCCOP(O)(=O)OCCCC,122.52
2172	OC(=O)CCCl,37.30
2173	OC(=O)C1=C(S)C=CC=C1,37.30
2174	CC1=C(C=CC=C1)S(N)(=O)=O,60.16
2175	CC(C)C1=CC(=C(C)C=C1O)C2(OC(=O)C3=C2C=CC=C3)C4=C(C)C=C(O)C(=C4)C(C)C,66.76
2176	OC(CC(=O)OCC1=CC=CC=C1)(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3,99.13
2177	OC(=O)C1=CC=CS1,37.30
2178	OCC(Br)(Br)Br,20.23
2179	CCCCCCC=O,17.07
2180	CCCCCCC=NO,32.59
2181	CCCCCCC(O)=O,37.30
2182	CC1=C(C=CC=C1)C(O)=O,37.30
2183	COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,26.30
2184	COC1=CC2=C(C)C=C(O)N=C2C=C1,42.35
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2329	CC(=O)OCCNC1=CC=CC=C1,38.33
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2438	COC1=CC(=C2N=CC=CC2=C1)NCCCCCC[CH]3CCCCN3,46.18
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2440	C[CH](CCCN(C)C)NC(=NC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(Cl)C=C3,40.52
2441	CCN(CC)CCCNC1=C2C=C(Br)C=CC2=NN=C1,41.05
2442	COC1=CC2=C(CNC[CH](C)O)C=CN=C2C=C1,54.38
2443	OC(=O)[CH](CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)S(O)(=O)=O,179.83
2444	CNCCCCCNC,24.06
2445	OC(=O)[CH](CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)C[CH](C(O)=O)S(O)(=O)=O)C=C2)S(O)(=O)=O,275.68
2446	CCN(CC)CCCNC1=C2C=C(Cl)C=CC2=NC3=C1CCCC3,28.16
2447	COC1=CC(=C2N=CC=CC2=C1)NCCCCCCC[CH]3CCCCN3,46.18
2448	CCN(CC)C(=N)NC1=C2C=CC=CC2=C3C=CC=CC3=C1,39.12
2449	CCCCN(CCCC)CC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1,23.47
2450	COC1=CC(=C2N=CC=CC2=C1)NCCCC[CH]3CCCCN3,46.18
2451	CCN(CC)CCCCNC1=NC(=NC=C1)N,67.07
2452	ClC1=CC(=C(C=C1)C=CC2=NC=CC=C2)Cl,12.89
2453	OCC1=C(O)C=CC(=C1)Cl,40.46
2454	NC(=O)C[CH](NCC1=CC=CC=C1)C(O)=O,92.42
2455	O=C(CC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2,46.17
2456	C[CH](CN(C)C)OC(=O)NC1=CC=CC=C1,41.57
2457	CC(C)CCN(CCCNC1=C2C=C(Cl)C=CC2=NC3=C1CCCC3)CCC(C)C.OP(O)(O)=O,105.92
2458	ClC1=CC(=C(C=C1)C=NC2=CC=CC=C2)Cl,12.36
2459	CCC(C)=NOC(=O)NC1=CC=CC=C1,50.69
2460	CC[CH](C)OC(=O)NC1=CC(=CC=C1)Cl,38.33
2461	ClC1=C(Cl)C(=C(C=O)C(=C1Cl)Cl)Cl,17.07
2462	CC[CH]([CH](C1=CC=C(Cl)C=C1)C2=CC(=C(Cl)C=C2)Cl)[N+]([O-])=O,43.14
2463	ClC1=CC=CC(=C1)NC(=O)OCCC#N,62.12
2464	OC(=O)C(=CC1=CC=C(Cl)C=C1)C#N,61.09
2465	CN1CCCCC1,3.24
2466	OS(=O)(=O)C1=CC(=CC=C1)C=O,71.44
2467	CCOC(=O)[CH](CC(C)C)NC(=O)C=CC(O)=O,92.70
2468	CCC[CH](O)CNCC1=CC=C(C=C1)N(C)C,35.50
2469	CCN(CC)CCNC1=CC=CC=C1,15.27
2470	C1C[CH](O[CH]2CCC=C2)C=C1,9.23
2471	[O-][N+](=O)[CH]1C[CH](Br)[CH](Br)C[CH]1C2=CC=CC=C2,43.14
2472	CC[CH](O)CNCC1=C2C=C(OC)C=CC2=NC=C1,54.38
2473	CCN(CC)CCCC(C)N=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C.OC(=O)CC(O)(CC(O)=O)C(O)=O,154.21
2474	CN(CC(=O)CCCCCCCCC(=O)CN(C)CC1=CC=CC=C1)CC2=CC=CC=C2,40.62
2475	CCOC(=O)[CH](NC(=O)C=CC(O)=O)C(C)C,92.70
2476	O=C(NC1=CC=CC=C1)ON=C2CCCCC2,50.69
2477	O=C(CCCCCCCCC(=O)CN1CCCCC1)CN2CCCCC2,40.62
2478	CC(C)(C)C1=C(O)C=C(C(O)=O)C(=C1)O,77.76
2479	CC(C)(C)C1=C(O)C(=CC(=C1)O)C(O)=O,77.76
2480	CCN(CC)CCC[CH](C)NC1=C2CCCCC2=NC3=CC=CC=C13.OP(O)(O)=O,105.92
2481	CC(C)=NOC(=O)N(C1=CC=CC=C1)C2=CC(=CC=C2)C,41.90
2482	Cl[CH]1CC[CH](Cl)[CH]1Cl,0.00
2483	O[CH]1CCC=C1,20.23
2484	[O-][N+](=O)CC1=CCCCC1,43.14
2485	CC1(C)[CH]2CC[CH](CCOC(=O)C3=C(O)C=CC=C3)[CH]1C2,46.53
2486	CC(C)(C)OC(=O)NC1=CC(=CC=C1)Cl,38.33
2487	CC1(C)OC[CH](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O1,27.69
2488	CCC=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O,110.67
2489	S1N=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3,25.78
2490	CC(=O)COC1=C(C=CC=C1)[N+]([O-])=O,69.44
2491	ON=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2,53.54
2492	CCCC(=O)C[N+]1=CC=CC=C1,20.95
2493	CC1=CC(=CC=C1)C2=CSC(=N)N2,39.64
2494	ClC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2,20.95
2495	CC1=CC=C(C=C1)C(=O)CSC2=CC(=[O+]C(=C2)C)C,28.37
2496	NC(=O)CCN(CCC(N)=O)CCC(N)=O,132.51
2497	CC(=NNC1=CC=CC=C1)C(O)=O,61.69
2498	OC(=O)C1=CC=C(NC(=O)OCC2=CC=CC=C2)C=C1,75.63
2499	CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC=CC=C2,28.37
2500	[O-][N+](=O)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2,64.09

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