HR-machine
commited on
Commit
•
519d12f
1
Parent(s):
9eecc88
Add valid_data.csv
Browse files- valid_data.csv +684 -0
valid_data.csv
ADDED
@@ -0,0 +1,684 @@
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1 |
+
smiles,u0_atom
|
2 |
+
[H]OC1([H])C([H])([H])C1(O[H])C([H])([H])[H],-1353.17
|
3 |
+
[H][N][C]([H])N1C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1101.34
|
4 |
+
[H]C#CC1C([H])=NN([H])C=1[H],-1465.07
|
5 |
+
[H]N([H])C(=NC([H])([H])[H])C(=O)C([H])([H])[H],-1486.63
|
6 |
+
[H]C#CC([H])(O[H])C([H])=C([H])C([H])([H])[H],-1547.75
|
7 |
+
[H]C#CC([H])([H])C([H])(OC([H])([H])[H])C([H])([H])[H],-1684.45
|
8 |
+
[H]N=C(N([H])O[H])C([H])([H])C([H])([H])C([H])([H])[H],-1580.76
|
9 |
+
[H]N(C([H])([H])C#CC([H])([H])[H])C([H])([H])C([H])([H])[H],-1762.25
|
10 |
+
[H]N(C([H])([H])[H])C([H])(C#N)C#N,-1260.42
|
11 |
+
[H]OC1=C([H])SC(=C1[H])C([H])([H])[H],-1249.91
|
12 |
+
[H]OC(=O)C1([H])N([H])C1([H])C([H])([H])[H],-1414.88
|
13 |
+
[H]ON=C(C([H])=C([H])[H])C([H])([H])N([H])[H],-1329.87
|
14 |
+
[H][C]([H])[N]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1774.05
|
15 |
+
[H]N=C([H])N([H])C([H])([H])C(=C([H])[H])C([H])([H])[H],-1660.55
|
16 |
+
[H]N([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1471.15
|
17 |
+
[H]OC1(C#N)C([H])([H])N([H])C1([H])[H],-1320.68
|
18 |
+
[H][N][C]1OC([H])([H])C(=C([H])[H])N1[H],-1351.03
|
19 |
+
[H]C1=C([H])C(OC1([H])[H])(C([H])([H])[H])C([H])([H])[H],-1722.74
|
20 |
+
[H]C([H])([H])C([H])([H])C#CC1([H])C([H])([H])C1([H])[H],-1750.87
|
21 |
+
[H]C(=O)C([H])=C(C#N)N([H])[H],-1283.59
|
22 |
+
[H]C1=NOC([H])(C1([H])[H])C([H])([H])C([H])([H])[H],-1575.73
|
23 |
+
[H]C([H])=C([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1914.15
|
24 |
+
[H][C]([N]N([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1777.79
|
25 |
+
[H]C(=O)C([H])([H])C([H])=C([H])C([H])([H])[H],-1423.2
|
26 |
+
[H]C(=O)C(=O)N1C([H])([H])C1([H])[H],-2190.69
|
27 |
+
[H][C]([H])[N]N([H])C([H])([H])C([H])([H])C([H])=O,-1444.04
|
28 |
+
[H]C([H])([H])C([H])([H])C1([H])OC1(C([H])([H])[H])C([H])([H])[H],-1848.14
|
29 |
+
[H]N([H])C([H])([H])C1([H])N([H])C([H])([H])C1([H])[H],-1488.22
|
30 |
+
[H]C([H])=C(C#CC([H])([H])N([H])[H])C([H])([H])[H],-1362.88
|
31 |
+
[H]C#CC([H])([H])N([H])[C]([H])[N]C([H])([H])[H],-1498.16
|
32 |
+
[H]N=C1N([H])C([H])([H])C([H])=C([H])C1([H])[H],-1543.11
|
33 |
+
[H]OC12C([H])([H])C([H])([H])C([H])(C1([H])[H])C2([H])[H],-1717.38
|
34 |
+
[H]C#CC(=O)C1([H])C([H])([H])C1([H])[H],-1414.02
|
35 |
+
[H]OC1([H])C([H])=C([H])C([H])(N([H])[H])C1([H])[H],-1596.76
|
36 |
+
[H][C]([H])[N][N][C](OC([H])([H])[H])C([H])([H])[H],-1449.71
|
37 |
+
[H][C]([H])[N]OC([H])([H])C([H])([H])N([H])C([H])([H])[H],-1556.97
|
38 |
+
[H]N=C([H])N([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1804.98
|
39 |
+
[H]ON(C(=NC([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1568.06
|
40 |
+
[H]C1C(=NSC=1C([H])([H])[H])C([H])([H])[H],-1327.94
|
41 |
+
[H]C#CC1=C([H])C([H])([H])OC1([H])[H],-1421.13
|
42 |
+
[H]N([H])C1([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1220.58
|
43 |
+
[H]C#CC([H])([H])N([H])C([H])([H])C([H])=C([H])[H],-1609.93
|
44 |
+
[H]C#CC1(N([H])[H])C([H])([H])OC1([H])[H],-1410.16
|
45 |
+
[H]C#CC([H])([C]([H])[N]O[H])N([H])[H],-1707.16
|
46 |
+
[H]OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1696.16
|
47 |
+
[H][N][C]([H])N1C(=O)C([H])([H])C1([H])[H],-1329.81
|
48 |
+
[H]C1([H])OC2([H])C([H])([H])C([H])([H])C([H])([H])C12[H],-1681.51
|
49 |
+
[H]C(C#N)=C([H])C(=O)C([H])([H])[H],-1334.61
|
50 |
+
[H]C(OC([H])=C([H])C([H])([H])[H])=C([H])C([H])([H])[H],-1705.93
|
51 |
+
[H]C#CC([H])([H])C([H])(O[H])C([H])([H])N([H])[H],-1552.34
|
52 |
+
[H]N([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1768.13
|
53 |
+
[H]C1=NN=C(OC1([H])[H])C([H])([H])[H],-1320.98
|
54 |
+
[H]N=C1SN([H])C(=C1[H])C([H])([H])[H],-1254.55
|
55 |
+
[H]OC(C([H])([H])[H])(C([H])([H])N([H])[H])C([H])([H])N([H])[H],-1739.78
|
56 |
+
[H]N([H])C([H])([H])C1([H])N([H])C1([H])C([H])([H])[H],-1490.75
|
57 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1846.64
|
58 |
+
[H]C([H])=C([H])C([H])(N([H])[H])C([H])([H])[H],-1325.98
|
59 |
+
[H]C1SC(=O)N([H])C=1C([H])([H])[H],-1327.62
|
60 |
+
[H]OC1([H])C([H])(O[H])C1(N([H])[H])C([H])([H])[H],-1517.83
|
61 |
+
[H]C1=NOC(=C1[H])C([H])([H])[H],-1163.99
|
62 |
+
[H]C(=O)C([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1442.18
|
63 |
+
[H]OC1=C([H])C([H])=C(N([H])[H])N1[H],-1350.18
|
64 |
+
[H]C(C#CC([H])([H])[H])=C([H])C([H])([H])C([H])([H])[H],-1758.48
|
65 |
+
[H]OC([H])(C([H])=O)C(=C([H])[H])C([H])([H])[H],-1522.31
|
66 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])=C([H])[H],-1847.05
|
67 |
+
[H]N=C(N([H])C([H])([H])C([H])([H])[H])C([H])([H])O[H],-1610.32
|
68 |
+
[H]C(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1861.2
|
69 |
+
[H]C([H])([H])OC([H])([H])C([H])(OC([H])([H])[H])C([H])([H])[H],-1775.04
|
70 |
+
[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H],-1559.48
|
71 |
+
[H]N(N1C(=O)C([H])([H])C1([H])[H])C([H])([H])[H],-1456.7
|
72 |
+
[H]N([H])C([H])([H])C1(N(C([H])([H])[H])C1([H])[H])C([H])([H])[H],-1778.08
|
73 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])[H],-1254.7
|
74 |
+
[H]C([H])=C([H])C1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1777.48
|
75 |
+
[H]OC1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1430.36
|
76 |
+
[H]C(=O)C1([H])C([H])([H])C1([H])C([H])=O,-1389.47
|
77 |
+
[H]OC(=O)C([H])([H])C([H])=C([H])C([H])([H])[H],-1544.94
|
78 |
+
[H]N(C([H])([H])[H])C1([H])C([H])([H])OC([H])([H])C1([H])[H],-1724.69
|
79 |
+
[H][C]([C][C](C)C)C([H])([H])C([H])([H])[H],-1249.8
|
80 |
+
[H]C([H])([H])ON=C(C([H])([H])[H])C([H])([H])[H],-1405.97
|
81 |
+
[H]C1([H])C([H])([H])C2([H])C([H])([H])C1([H])C2([H])[H],-1615.66
|
82 |
+
[H]OC([H])([H])C#CC1([H])C([H])([H])C1([H])[H],-1547.4
|
83 |
+
[H]OC([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])[H],-1643.55
|
84 |
+
[H]C([H])=C([H])C1([H])C(=O)OC1([H])[H],-1393.33
|
85 |
+
[H]C([H])=C([H])C([H])([H])C#CC([H])([H])C([H])([H])[H],-1751.29
|
86 |
+
[H]C([H])([H])C1([H])C([H])([H])C2([H])OC2([H])C1([H])[H],-1715.72
|
87 |
+
[H]C([H])=C([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-2047.43
|
88 |
+
[H]OC([H])([H])C#CC([H])([H])N([H])[H],-1266.14
|
89 |
+
[H]C([H])=C([H])C#CC([H])([H])C([H])=C([H])[H],-1608.46
|
90 |
+
[H]C#CC([H])([H])C(=NO[H])C([H])([H])[H],-1407.66
|
91 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1323.38
|
92 |
+
[H]OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1873.28
|
93 |
+
[H]C(=C([H])C1([H])OC1([H])[H])C([H])([H])[H],-1399.79
|
94 |
+
[H]C(=O)C([H])=C([H])C([H])=O,-1095.1
|
95 |
+
[H]C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])[H],-1748.56
|
96 |
+
[H]C([H])([H])C#CC([H])([H])C#CC([H])([H])[H],-1600.33
|
97 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])N([H])[H],-1862.52
|
98 |
+
[H]C([H])=C([H])C1(C([H])([H])[H])C([H])([H])N([H])C1([H])[H],-1616.95
|
99 |
+
[H]C([H])([H])C#CC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1898.54
|
100 |
+
[H]C(=O)C([H])(C([H])=C([H])[H])C([H])([H])[H],-1419.66
|
101 |
+
[H][C]([H])C(=C([H])[N]N([H])[H])C([H])=C([H])[H],-1497.92
|
102 |
+
[H]OC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1545.83
|
103 |
+
[H]N([H])C([H])([H])C1([H])N([H])C1(C([H])([H])[H])C([H])([H])[H],-1653.61
|
104 |
+
[H]C#CC([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])[H],-1757.68
|
105 |
+
[H]OC([H])([H])C([H])([H])OC(=C([H])[H])C([H])([H])[H],-1651.32
|
106 |
+
[H]C#CC([H])([H])[C]([H])[N]OC([H])([H])[H],-1394.1
|
107 |
+
[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C#N,-1790.97
|
108 |
+
[H]C([H])=C([H])C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1909.4
|
109 |
+
[H]OC([H])([H])C1(N([H])C1([H])C([H])([H])[H])C([H])([H])[H],-1717.32
|
110 |
+
[H]C1=NN=C(OC([H])([H])[H])C1([H])[H],-1318.81
|
111 |
+
[H]OC([H])(C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1868.72
|
112 |
+
[H]C([H])=C([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1768.81
|
113 |
+
[H]ON1C([H])=NC([H])(C([H])([H])[H])C1([H])[H],-1444.08
|
114 |
+
[H]C([H])=C(OC([H])([H])[H])C(=O)C([H])([H])[H],-1521.26
|
115 |
+
[H]C([H])=C1OC([H])([H])C2([H])C([H])([H])C12[H],-1576.48
|
116 |
+
[H]C(=O)C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1861.04
|
117 |
+
[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-2049.8
|
118 |
+
[H]C(=O)N(C([H])=C([H])C([H])([H])[H])N([H])[H],-1465.05
|
119 |
+
[H]C([H])=C1C(=O)C([H])([H])C([H])=C1[H],-1463.66
|
120 |
+
[H]OC([H])([H])C([H])(OC([H])([H])[H])C([H])=C([H])[H],-1640.02
|
121 |
+
[H]C(=O)C1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-1714.71
|
122 |
+
[H]C1C(=NN([H])C([H])([H])C=1[H])C([H])([H])[H],-1355.23
|
123 |
+
[H]C#CC([H])([H])[C]([H])[N]O[H],-1107.23
|
124 |
+
[H][C]([N]C([H])([H])[H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1801.8
|
125 |
+
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])=C([H])[H],-1638.62
|
126 |
+
[H]N1C([H])([H])C1(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1682.44
|
127 |
+
[H]C(=C(OC([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])[H],-1717.96
|
128 |
+
[H]O[N][C]([H])C1([H])C([H])([H])C1([H])N([H])[H],-1430.45
|
129 |
+
[H]OC([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1851.04
|
130 |
+
[H][C]([H])[N]N1C([H])([H])C1([H])C#N,-1227.88
|
131 |
+
[H]C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])OC1([H])[H],-1697.8
|
132 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])N([H])C([H])([H])C([H])([H])[H],-1860.48
|
133 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1935.49
|
134 |
+
[H]C(=O)C([H])([H])C1([H])OC([H])([H])C1([H])[H],-1513.72
|
135 |
+
[H]C([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])OC([H])([H])[H],-1837.9
|
136 |
+
[H]C([H])=C([H])C1([H])C([H])([H])N([H])C1([H])C([H])([H])[H],-1787.88
|
137 |
+
[H][N]C1=C([H])[C]([H])C([H])([H])N1[H],-1246.41
|
138 |
+
[H]OC1([H])C([H])([H])C1([H])C#CC([H])([H])[H],-1548.8
|
139 |
+
[H]C1C(=O)C([H])([H])C([H])([H])C([H])([H])C=1[H],-1607.72
|
140 |
+
[H][C]([N]C([H])([H])[H])N1C([H])([H])C([H])([H])C1([H])[H],-1646.61
|
141 |
+
[H]N([H])C1([H])C([H])([H])OC([H])([H])OC1([H])[H],-1529.77
|
142 |
+
[H]N=C1N([H])C([H])([H])C([H])([H])C1([H])O[H],-1288.1
|
143 |
+
[H]OC([H])([H])C([H])=C([H])C([H])([H])C([H])([H])N([H])[H],-1720.5
|
144 |
+
[H]C#CC(=NO[H])OC([H])([H])[H],-1197.11
|
145 |
+
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])=O,-1523.62
|
146 |
+
[H]C([H])=C1C(=C([H])[H])C([H])([H])OC1([H])[H],-1575.68
|
147 |
+
[H]C([H])=C([H])C(=O)C#N,-1026.67
|
148 |
+
[H]C(=O)N(N([H])[H])C1([H])C([H])([H])C1([H])[H],-1437.43
|
149 |
+
[H]C#CC1([H])N([H])C1([H])C([H])=O,-1409.99
|
150 |
+
[H]C#CC([H])([H])N([H])C([H])([H])C([H])=O,-1556.03
|
151 |
+
[H]OC(C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H],-1564.68
|
152 |
+
[H]N=C(C(=C([H])[H])C([H])([H])[H])N([H])O[H],-1438.99
|
153 |
+
[H][C](C#N)[N]N(C([H])([H])[H])C([H])([H])[H],-1369.0
|
154 |
+
[H]C1([H])C2([H])C([H])([H])C3([H])C1([H])C3([H])C2([H])[H],-1795.0
|
155 |
+
[H]C([H])=C([H])OC([H])(C([H])=C([H])[H])C([H])([H])[H],-1700.73
|
156 |
+
[H]C1=NN([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1531.96
|
157 |
+
[H]C([H])=C(C([H])([H])OC([H])([H])[H])C([H])([H])N([H])[H],-1709.78
|
158 |
+
[H]C([H])=C1C([H])([H])OC([H])([H])C([H])([H])C1([H])[H],-1720.57
|
159 |
+
[H]C([H])([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1868.5
|
160 |
+
[H]OC([H])(C([H])=C([H])C([H])=C([H])[H])C([H])([H])[H],-1711.81
|
161 |
+
[H]C#CC1=NSN=C1[H],-1146.11
|
162 |
+
[H]C([H])([H])OC([H])(OC([H])([H])[H])C([H])([H])C([H])([H])[H],-1781.76
|
163 |
+
[H]C#CC([H])(C([H])([H])[H])C1([H])N([H])C1([H])[H],-1912.27
|
164 |
+
[H]C([H])=C(C([H])([H])[H])C1([H])OC1([H])C([H])([H])[H],-1701.45
|
165 |
+
[H]N1C([H])([H])C(N([H])[H])(C1([H])[H])C([H])([H])C([H])([H])[H],-1221.89
|
166 |
+
[H]C#CC1([H])C([H])([H])C1([H])N([H])[H],-1323.05
|
167 |
+
[H]C1=NC([H])([H])C(=O)C([H])([H])N1[H],-1486.5
|
168 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])C#CC([H])([H])[H],-1755.16
|
169 |
+
[H]C1=C([H])C([H])(N([H])[H])C([H])([H])N([H])C1([H])[H],-1663.65
|
170 |
+
[H]N1C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1800.01
|
171 |
+
[H]N1C([H])([H])C([H])([H])C2(OC2([H])[H])C1([H])[H],-1582.33
|
172 |
+
[H]N1C([H])([H])C2([H])C([H])([H])C2([H])C1([H])C([H])([H])[H],-1793.64
|
173 |
+
[H]N1C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1321.12
|
174 |
+
[H]C([H])=C([H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H],-1695.1
|
175 |
+
[H]C(=O)OC(=C([H])[H])C([H])([H])C([H])([H])[H],-1531.53
|
176 |
+
[H]N([H])C1([H])C([H])([H])C([H])(N([H])[H])C1([H])[H],-1488.97
|
177 |
+
[H]C(=O)C#CC#N,-857.15
|
178 |
+
[H]N=C(C(=C([H])[H])C([H])=C([H])[H])N([H])[H],-1523.27
|
179 |
+
[H]C1=NOC([H])([H])C(=C1[H])N([H])[H],-1312.75
|
180 |
+
[H]C([H])=C([H])C(=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1906.7
|
181 |
+
[H][C]([H])[N]N([H])C1([H])C([H])([H])C1([H])[H],-1326.7
|
182 |
+
[H]C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1391.77
|
183 |
+
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H],-1851.53
|
184 |
+
[H]N([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1234.36
|
185 |
+
[H]C#CC(=NN([H])C([H])([H])[H])C([H])([H])[H],-1478.38
|
186 |
+
[H]C([H])=C([H])C([H])([H])C(N([H])[H])(C([H])([H])[H])C([H])([H])[H],-1919.97
|
187 |
+
[H]C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])[H],-1451.06
|
188 |
+
[H]C1=NC([H])([H])C(=C([H])[H])N1[H],-1242.71
|
189 |
+
[H][C]([N]N([H])C([H])=O)C([H])([H])C([H])([H])[H],-1471.89
|
190 |
+
[H]C([H])([H])C([H])([H])C([H])([H])C(=O)C#N,-1468.02
|
191 |
+
[H]C1([H])C(=O)C2([H])C([H])([H])N1C2([H])[H],-1566.74
|
192 |
+
[H]C([H])([H])C1([H])OC([H])([H])C([H])([H])OC1([H])[H],-1656.57
|
193 |
+
[H]C#CS(=O)(=O)C([H])([H])O[H],-1293.13
|
194 |
+
[H]N([H])C1(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1383.1
|
195 |
+
[H][N][C]1N([H])OC([H])(C([H])([H])[H])C1([H])[H],-1448.29
|
196 |
+
[H]C([H])=C1OC([H])=C([H])C1([H])N([H])[H],-1453.64
|
197 |
+
[H]C([H])=C([H])C([H])=C([H])C(=O)N([H])[H],-1472.88
|
198 |
+
[H]C(=O)C1(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1710.63
|
199 |
+
[H]C#CC(O[H])(C([H])([H])[H])C([H])([H])[H],-1398.32
|
200 |
+
[H]N(C([H])([H])[H])C([H])([H])[H],-871.19
|
201 |
+
[H]C([H])=C([H])C1([H])C([H])=C([H])C([H])=C1[H],-1639.01
|
202 |
+
[H]OC1([H])C([H])([H])C([H])([H])C([H])(O[H])C1([H])[H],-1668.94
|
203 |
+
[H]C(=O)N(C(=C([H])[H])C([H])([H])[H])N([H])[H],-1463.46
|
204 |
+
[H]N([H])N=C(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1782.84
|
205 |
+
[H]OC([H])(C(=C([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1850.64
|
206 |
+
[H]C(=O)N(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1598.01
|
207 |
+
[H]N([H])C([H])([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1929.2
|
208 |
+
[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H],-1783.81
|
209 |
+
[H]OC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H],-1545.17
|
210 |
+
[H]OC([H])([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1846.75
|
211 |
+
[H]C1OC([H])(OC([H])([H])[H])C([H])([H])C=1[H],-1516.52
|
212 |
+
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1787.78
|
213 |
+
[H]OC1=C(C([H])=C([H])N1[H])C([H])([H])[H],-1482.36
|
214 |
+
[H]N1C(=O)C([H])(N([H])C([H])([H])[H])C1([H])[H],-1471.92
|
215 |
+
[H]OC([H])([H])C([H])=C([H])[H],-958.05
|
216 |
+
[H]OC([H])([H])C(N([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1867.1
|
217 |
+
[H]C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-2045.98
|
218 |
+
[H]N1C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1324.02
|
219 |
+
[H]C#CC#CC([H])(O[H])C([H])([H])[H],-1388.3
|
220 |
+
[H]OC1(C([H])([H])[H])C([H])([H])N([H])C([H])([H])C1([H])[H],-1735.96
|
221 |
+
[H]C1=NN([H])C([H])=C1C([H])([H])[H],-1253.88
|
222 |
+
[H]C#CC#CC([H])=NN([H])[H],-1179.93
|
223 |
+
[H]N([H])C([H])([H])C1([H])N(C([H])([H])C([H])([H])[H])C1([H])[H],-1779.55
|
224 |
+
[H]OC([H])(C([H])=O)C([H])([H])C([H])=C([H])[H],-1519.52
|
225 |
+
[H]C([H])=C1OC([H])=C([H])C1([H])[H],-1288.11
|
226 |
+
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1466.4
|
227 |
+
[H]N1C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1354.98
|
228 |
+
[H]C1C([H])=C([H])C([H])([H])C=1[H],-1194.16
|
229 |
+
[H]C([H])=C([H])C([H])([H])OC([H])([H])OC([H])([H])[H],-1635.59
|
230 |
+
[H]C1([H])OC([H])([H])C2([H])C([H])([H])C2([H])O1,-1506.06
|
231 |
+
[H]N=C1C([H])=C([H])C(=O)N1[H],-1234.76
|
232 |
+
[H]ON([C]([H])[N]C([H])([H])C([H])([H])[H])C([H])([H])[H],-1569.14
|
233 |
+
[H]OC1([H])C([H])(N([H])[H])C([H])([H])C1([H])N([H])[H],-1590.07
|
234 |
+
[H]C#CC1(N([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1611.47
|
235 |
+
[H]N([H])C(=O)C1([H])OC1([H])C([H])([H])[H],-1407.06
|
236 |
+
[H]C#CC([H])(O[H])C(=O)N([H])[H],-1489.79
|
237 |
+
[H]N1C([H])([H])C(=O)C2([H])C([H])([H])C12[H],-1534.68
|
238 |
+
[H]N=C(C#CC([H])=O)N([H])[H],-2192.0
|
239 |
+
[H]C1=C([H])C([H])([H])C(=O)N1[H],-1193.68
|
240 |
+
[H]OC([H])([H])C(OC([H])=C([H])[H])=C([H])[H],-1502.54
|
241 |
+
[H]C([H])([H])OC([H])(OC([H])([H])C([H])([H])[H])C([H])([H])[H],-1785.2
|
242 |
+
[H]C#CC([H])([H])N([H])C([H])=O,-1151.39
|
243 |
+
[H]C(=O)C([H])=C([H])C1([H])N([H])C1([H])[H],-1571.0
|
244 |
+
[H]OC([H])([H])C(=C([H])C#N)N([H])[H],-1274.29
|
245 |
+
[H]C1C(=C([H])N([H])C=1C([H])([H])[H])C([H])([H])[H],-1779.98
|
246 |
+
[H]C(=C(OC([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1844.17
|
247 |
+
[H]C1=C(C([H])([H])[H])C([H])(N([H])C1([H])[H])C([H])([H])[H],-1787.4
|
248 |
+
[H]OC([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H],-1851.04
|
249 |
+
[H]C1OC([H])(OC=1[H])C([H])([H])C([H])([H])[H],-1517.58
|
250 |
+
[H]OC([H])([H])C1([H])OC([H])([H])C1([H])[H],-1347.5
|
251 |
+
[H]N([H])C([H])([H])C#CC([H])([H])[H],-1174.66
|
252 |
+
[H]C1([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1897.37
|
253 |
+
[H]C1OC(=C(C=1[H])N([H])[H])C([H])([H])[H],-1475.01
|
254 |
+
[H]N([H])C(=O)N([H])C1([H])C([H])([H])C1([H])[H],-1494.41
|
255 |
+
[H][C](C#N)[N][N][C]([H])C([H])([H])[H],-1252.2
|
256 |
+
[H]C1=NC([H])([H])C2([H])N1C([H])([H])C2([H])[H],-1520.53
|
257 |
+
[H]C1C(=NN([H])C=1[H])OC([H])([H])[H],-1343.03
|
258 |
+
[H]N1C(=O)C([H])([H])C2([H])N1C2([H])[H],-1920.23
|
259 |
+
[H]C1([H])OC2([H])C([H])([H])C([H])(O1)C2([H])[H],-1499.33
|
260 |
+
[H]C1SC(=C(C=1[H])N([H])[H])N([H])[H],-1246.53
|
261 |
+
[H]N1C([H])(C([H])([H])[H])C([H])([H])C2([H])C([H])([H])C12[H],-1785.3
|
262 |
+
[H]C#CC1([H])N([H])C([H])([H])C1([H])O[H],-1319.54
|
263 |
+
[H]N=C([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1797.33
|
264 |
+
[H]C([H])=C([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1846.22
|
265 |
+
[H]C(C(=O)N([H])[H])=C([H])C([H])([H])C([H])([H])[H],-1619.98
|
266 |
+
[H]C(=O)C#CC#CC([H])([H])[H],-1260.65
|
267 |
+
[H]OC([H])([H])C1([H])OC([H])([H])C1([H])C([H])([H])[H],-1646.83
|
268 |
+
[H]OC([H])([H])C1([H])C([H])([H])OC1([H])C([H])([H])[H],-1645.94
|
269 |
+
[H][C]([H])[N]OC([H])([H])C([H])(N([H])[H])C([H])([H])[H],-1565.05
|
270 |
+
[H][C]([H])[N]OC1([H])C([H])([H])C1([H])[H],-1248.65
|
271 |
+
[H]C([H])=C([H])OC([H])(C([H])([H])[H])C([H])([H])N([H])[H],-1717.64
|
272 |
+
[H]C([H])([H])C1([H])C([H])([H])C([H])(C#N)C1([H])[H],-1656.48
|
273 |
+
[H]OC([H])(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H],-1672.59
|
274 |
+
[H]C1C(=O)C([H])([H])C([H])([H])N([H])C=1[H],-1368.94
|
275 |
+
[H]C#CC([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1769.89
|
276 |
+
[H]C([H])=C([H])C([H])(OC([H])([H])[H])OC([H])([H])[H],-1634.75
|
277 |
+
[H]N=C(N([H])C([H])([H])C([H])=C([H])[H])C([H])([H])[H],-1664.72
|
278 |
+
[H]C1=NN=C(C([H])=C([H])[H])C1([H])[H],-1525.09
|
279 |
+
[H]C#CC(O[H])(C([H])([H])[H])C([H])([H])O[H],-1494.09
|
280 |
+
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1904.48
|
281 |
+
[H]C#CC([H])(C#C[H])N([H])[H],-1158.3
|
282 |
+
[H]OC([H])([H])C1([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1847.74
|
283 |
+
[H]N([H])C1([H])C(=O)N(C([H])([H])[H])C1([H])[H],-1477.71
|
284 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])C(=O)N([H])[H],-1618.54
|
285 |
+
[H]C(C#N)=C(OC([H])([H])[H])C([H])([H])[H],-1457.72
|
286 |
+
[H]OC1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1848.73
|
287 |
+
[H]OC(=O)C([H])([H])C(=C([H])[H])C([H])([H])[H],-1545.31
|
288 |
+
[H]C(=O)C1([H])C([H])([H])C1([H])C([H])=C([H])[H],-1571.73
|
289 |
+
[H]C#CC(O[H])(C([H])=C([H])[H])C([H])([H])[H],-1545.88
|
290 |
+
[H]C#CC([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1891.5
|
291 |
+
[H]C(=O)C(=C([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1722.74
|
292 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C(=O)C1([H])[H],-1527.51
|
293 |
+
[H]C1C([H])=C(SC=1N([H])[H])C([H])([H])[H],-1449.89
|
294 |
+
[H]N1C([H])([H])C1([H])[H],-725.93
|
295 |
+
[H]C(C(=O)OC([H])([H])[H])=C([H])C([H])([H])[H],-1540.83
|
296 |
+
[H]C([H])([H])C(=O)C([H])([H])C#N,-1178.33
|
297 |
+
[H]C1=NOC([H])([H])C([H])=C([H])O1,-1221.64
|
298 |
+
[H]OC([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1417.04
|
299 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1995.12
|
300 |
+
[H][C](C([H])=C([H])[H])C([H])=C([H])[N]N([H])[H],-1505.19
|
301 |
+
[H]C([H])=C1C([H])([H])N([H])C([H])(C([H])([H])[H])C1([H])[H],-1426.9
|
302 |
+
[H]O[N]C([H])=C([C]([H])[H])C([H])([H])C([H])([H])[H],-1566.5
|
303 |
+
[H]OC1([H])C(=O)C([H])([H])N([H])C1([H])[H],-1591.66
|
304 |
+
[H]C#CC(=O)C([H])(C([H])([H])[H])C([H])([H])[H],-1563.68
|
305 |
+
[H]C1([H])C([H])([H])C1([H])C1([H])C([H])([H])C1([H])[H],-1600.75
|
306 |
+
[H]C#CC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1360.81
|
307 |
+
C([H])([H])([H])[H],-417.96
|
308 |
+
[H]OC1C([H])=C([H])N([H])C=1N([H])[H],-1352.8
|
309 |
+
[H]C([H])([H])N1C([H])([H])C1([H])C([H])([H])[H],-1315.9
|
310 |
+
[H]OC([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])N([H])[H],-1718.54
|
311 |
+
[H]C#CC#CC([H])=O,-955.38
|
312 |
+
[H]O[N][C]([H])C(O[H])(C([H])([H])[H])C([H])([H])[H],-1508.07
|
313 |
+
[H]OC1=C([H])SC([H])=C1[H],-1077.68
|
314 |
+
[H]C([H])=C([H])OC([H])([H])C([H])=C([H])C([H])([H])[H],-1703.05
|
315 |
+
[H][C]([N]N([H])C([H])([H])C([H])=C([H])[H])C([H])([H])[H],-1634.06
|
316 |
+
[H]N1C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1617.95
|
317 |
+
[H]C1=NC([H])([H])C([H])(C#N)N1[H],-1281.77
|
318 |
+
[H]C1=C([H])C2([H])C([H])([H])C2([H])C([H])([H])C1([H])[H],-1917.42
|
319 |
+
[H]C1OC([H])=C([H])C=1[H],-1006.35
|
320 |
+
[H]N=C(C([H])=C([H])[H])N([H])C([H])=O,-1350.15
|
321 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])(C#N)C([H])([H])[H],-1665.68
|
322 |
+
[H]C1([H])OC2([H])C([H])([H])C2([H])C([H])([H])C1([H])[H],-1710.51
|
323 |
+
[H]OC([H])(C#N)C([H])([H])C([H])=C([H])[H],-1456.81
|
324 |
+
[H]C1([H])C2([H])OC2([H])C2([H])OC12[H],-1359.16
|
325 |
+
[H]C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1690.79
|
326 |
+
[H]C(C#N)=C([H])C([H])([H])C([H])([H])C([H])([H])[H],-1660.91
|
327 |
+
[H]C([H])=C([H])C(=C([H])C([H])([H])[H])C([H])([H])[H],-1615.41
|
328 |
+
[H]C#CC(=NOC([H])([H])[H])C([H])([H])[H],-1398.71
|
329 |
+
[H]C([H])([H])C1([H])OC1(C([H])([H])[H])C([H])([H])[H],-1552.8
|
330 |
+
[H]OC([H])(C([H])=C([H])C([H])([H])[H])C([H])([H])N([H])[H],-1725.7
|
331 |
+
[H]C1=C([H])C2([H])N([H])C2([H])C1([H])N([H])[H],-1514.99
|
332 |
+
[H]OC([H])([H])C([H])(C([H])=C([H])C([H])([H])[H])C([H])([H])[H],-1852.14
|
333 |
+
[H]C(=O)OC([H])=C(C([H])([H])[H])C([H])([H])[H],-1536.8
|
334 |
+
[H]C(=O)N([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1512.49
|
335 |
+
[H]C#CC([H])([H])C([H])([H])[C]([H])[N]N([H])[H],-1478.87
|
336 |
+
[H]O[N][C]([H])C([H])([H])C([H])([H])N([H])C([H])([H])[H],-1569.91
|
337 |
+
[H]C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])(C)C([H])([H])[H],-1230.86
|
338 |
+
[H]OC1(C([H])([H])OC([H])([H])[H])C([H])([H])C1([H])[H],-1638.95
|
339 |
+
[H][C]([N]OC([H])([H])C([H])([H])[H])N([H])C([H])([H])[H],-1572.65
|
340 |
+
[H]OC1([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1850.31
|
341 |
+
[H]C1C([H])=C([H])C([H])(N([H])[H])C([H])([H])C=1[H],-1656.46
|
342 |
+
[H]C1C(=NC([H])([H])[H])SN([H])C=1[H],-1310.14
|
343 |
+
[H]C(=O)C1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1593.63
|
344 |
+
[H]C#CC([H])([H])C([H])([H])[H],-1003.91
|
345 |
+
[H]C1([H])OC([H])([H])C2(OC2([H])[H])C1([H])[H],-1509.54
|
346 |
+
[H]C1([H])C([H])([H])C2([H])C([H])([H])C([H])([H])C1([H])C2([H])[H],-1244.22
|
347 |
+
[H]C#CC(=O)O[N][C]([H])[H],-1073.75
|
348 |
+
[H]C([H])([H])OC1([H])C([H])([H])C1([H])[H],-1242.47
|
349 |
+
[H][C]([H])[N]N([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1626.31
|
350 |
+
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-2047.3
|
351 |
+
[H]N([H])C1([H])C2([H])N([H])C([H])([H])C([H])([H])C12[H],-1652.24
|
352 |
+
[H][C]([H])[N]OC1([H])C([H])([H])OC1([H])[H],-1343.02
|
353 |
+
[H]C(=O)C([H])([H])C([H])([H])OC([H])([H])[H],-1355.73
|
354 |
+
[H]OC([H])(C([H])=O)C([H])=C([H])[H],-1222.74
|
355 |
+
[H]C(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1861.9
|
356 |
+
[H]C#CC([H])=C([H])C([H])=C([H])[H],-1316.15
|
357 |
+
[H]C#CC(=O)C([H])([H])O[H],-1068.2
|
358 |
+
[H]C1=C([H])C2(N([H])[H])C([H])([H])C1([H])C2([H])[H],-1622.65
|
359 |
+
[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-2050.05
|
360 |
+
[H]N=C(N(C([H])=O)C([H])([H])[H])C([H])([H])[H],-1489.24
|
361 |
+
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H],-1747.0
|
362 |
+
[H]OC1(C([H])=NN=C1[H])C([H])([H])[H],-1317.48
|
363 |
+
[H]C1=NC([H])([H])C([H])([H])C([H])(N1[H])C([H])([H])[H],-1684.45
|
364 |
+
[H]N(C([H])([H])C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1913.05
|
365 |
+
[H]C(=O)C1([H])OC1([H])C([H])([H])[H],-1215.49
|
366 |
+
[H]N1C2([H])C([H])([H])OC([H])(C([H])([H])[H])C12[H],-1578.52
|
367 |
+
[H]C([H])=C([H])C(N([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1911.6
|
368 |
+
[H]OC([H])([H])[C]([H])[N]N(C([H])([H])[H])C([H])([H])[H],-1569.11
|
369 |
+
[H]N=C1N([H])C([H])=C([H])C([H])([H])C1([H])[H],-1548.18
|
370 |
+
[H]C([H])=C([H])C(=O)C1([H])C([H])([H])C1([H])[H],-1579.47
|
371 |
+
[H]C#CC([H])=C([H])C#N,-1062.67
|
372 |
+
[H]OC([H])([H])C1([H])C([H])([H])C1(N([H])[H])C([H])([H])[H],-1717.71
|
373 |
+
[H]C([H])([H])C1([H])OC1([H])C([H])([H])[H],-1254.21
|
374 |
+
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1631.75
|
375 |
+
[H][C]([H])[N]N1C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1914.75
|
376 |
+
[H]OS([O])([O])C#CC([H])([H])[H],-1934.67
|
377 |
+
[H]OC1(C([H])([H])C1([H])[H])C1([H])OC1([H])[H],-1496.38
|
378 |
+
[H]C([H])=C([H])C([H])=C([H])OC([H])([H])[H],-1409.41
|
379 |
+
[H]N1C([H])([H])C([H])(C([H])([H])[H])S1(=O)=O,-1246.69
|
380 |
+
[H]C([H])([H])C1([H])C([H])([H])C(=O)C1([H])[H],-1427.89
|
381 |
+
[H]OC([H])([H])C(=C([H])[H])C([H])([H])O[H],-1352.82
|
382 |
+
[H]C([H])=C([H])C1C([H])=C([H])C([H])([H])C=1[H],-1647.73
|
383 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1754.03
|
384 |
+
[H]C([H])=C([H])C([H])([H])N1C([H])([H])C([H])([H])C1([H])[H],-1761.47
|
385 |
+
[H]C([H])([H])N1C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1787.78
|
386 |
+
[H]C([H])=C([H])C([H])(N([H])[H])C1([H])OC1([H])[H],-1568.22
|
387 |
+
[H]N1C(=O)C2([H])N([H])C2([H])C1([H])[H],-1159.33
|
388 |
+
[H]C(=O)C(=C([H])[H])C1([H])N([H])C1([H])[H],-1441.33
|
389 |
+
[H]C([H])([H])C#CC([H])([H])C#N,-1207.02
|
390 |
+
[H]N([H])C1(C([H])([H])[H])C([H])([H])C1([H])OC([H])([H])[H],-1707.6
|
391 |
+
[H]N(C([H])([H])C#N)C([H])([H])C([H])([H])[H],-1370.03
|
392 |
+
[H]C1OC(OC=1[H])(C([H])([H])[H])C([H])([H])[H],-1522.11
|
393 |
+
[H]N(C([H])([H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1616.39
|
394 |
+
[H]N(C([H])([H])[H])C1([H])C([H])([H])C1([H])OC([H])([H])[H],-1699.17
|
395 |
+
[H]OC([H])(C([H])=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1849.15
|
396 |
+
[H]C1=C([H])C2([H])OC1([H])C2([H])N([H])[H],-1411.07
|
397 |
+
[H]OC([H])([H])C#CC([H])(C([H])([H])[H])C([H])([H])[H],-1694.24
|
398 |
+
[H]O[N][C]([H])C([H])([H])C(=C([H])[H])C([H])([H])[H],-1563.71
|
399 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])[H],-1107.82
|
400 |
+
[H]C([H])=C([H])C([H])([H])C(C#N)=C([H])[H],-1358.14
|
401 |
+
[H]OC([H])([H])C1(O[H])C([H])([H])C1([H])N([H])[H],-1522.9
|
402 |
+
[H]N1C(=S)N([H])C2([H])C([H])([H])C12[H],-1462.95
|
403 |
+
[H]N(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C#N,-1667.04
|
404 |
+
[H]C(=O)N1C([H])([H])C1([H])C([H])=O,-1800.57
|
405 |
+
[H][N][C]([H])N1C([H])([H])C([H])([H])C1([H])[H],-1357.47
|
406 |
+
[H]C1C([H])=C(N(C=1[H])N([H])[H])C([H])([H])[H],-1333.28
|
407 |
+
[H]N([H])C([H])([H])C([H])([H])C1([H])C([H])([H])N([H])C1([H])[H],-1777.89
|
408 |
+
[H]C([H])=C([H])C([H])=C([H])C([H])=C([H])[H],-1474.75
|
409 |
+
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1762.03
|
410 |
+
[H]C#CC1([H])N([H])C([H])(C([H])([H])[H])C1([H])[H],-1384.23
|
411 |
+
[H]C1=NOC([H])([H])C1([H])C([H])([H])N([H])[H],-1443.59
|
412 |
+
[H]C([H])([H])C1([H])OC(=O)C1([H])C([H])([H])[H],-1546.78
|
413 |
+
[H]N=C([H])N([H])C([H])([H])C([H])=C([H])[H],-1361.99
|
414 |
+
[H][C]([N]OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1702.37
|
415 |
+
[H]C([H])=C([H])C1=C([H])C([H])([H])OC1([H])[H],-1579.87
|
416 |
+
[H]C([H])([H])OC1([H])C([H])([H])C([H])([H])C1([H])[H],-1541.69
|
417 |
+
[H]OC([H])([H])C([H])=C([H])C([H])(O[H])C([H])([H])[H],-1652.29
|
418 |
+
[H]C([H])([H])C([H])([H])OC([H])(C#N)C([H])([H])[H],-1593.91
|
419 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])(N([H])[H])C([H])([H])[H],-1631.67
|
420 |
+
[H]O[N][C]([H])C1([H])N([H])C([H])([H])C1([H])[H],-1419.58
|
421 |
+
[H]C([H])=C([H])C([H])=C(C#N)C([H])([H])[H],-2062.5
|
422 |
+
[H]C(=C1C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H],-1718.79
|
423 |
+
[H]C([H])([H])OC([H])([H])C1([H])OC([H])([H])C1([H])[H],-1634.58
|
424 |
+
[H]OC([H])([H])C([H])=C([H])C([H])([H])C([H])([H])O[H],-1649.99
|
425 |
+
[H]OC([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])O[H],-1646.88
|
426 |
+
[H]C(=O)C([H])(C(=O)N([H])[H])C([H])([H])[H],-1427.02
|
427 |
+
[H]OC1([H])C([H])([H])C([H])(C#N)C1([H])[H],-1463.31
|
428 |
+
[H]C#CC([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1745.24
|
429 |
+
[H]C([H])=C([H])OC([H])([H])C1([H])OC1([H])[H],-1493.27
|
430 |
+
[H]C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1769.38
|
431 |
+
[H]C1=C([H])C([H])(OC1([H])[H])C([H])([H])N([H])[H],-1589.92
|
432 |
+
[H]C1=NOC([H])=C1C([H])([H])C([H])([H])[H],-1455.55
|
433 |
+
[H]C(=O)C(C(=O)C([H])([H])[H])=C([H])[H],-1395.52
|
434 |
+
[H]C#CC([H])(N([H])C([H])=N[H])C([H])([H])[H],-1501.13
|
435 |
+
[H]C#CC1OC([H])=C([H])C=1[H],-1302.02
|
436 |
+
[H]O[N][C]([H])C#CC([H])([H])C([H])([H])[H],-1409.25
|
437 |
+
[H]C(=O)OC(=C([H])[H])C([H])([H])[H],-1236.4
|
438 |
+
[H]C#C[C]([H])[N]OC([H])([H])[H],-1097.08
|
439 |
+
[H]N=C([H])N1C([H])=C([H])C([H])([H])C1([H])[H],-1537.44
|
440 |
+
[H]C#CC([H])(N([H])C([H])=O)C([H])([H])[H],-1449.08
|
441 |
+
[H]C1OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C=1[H],-1726.64
|
442 |
+
[H]N1C([H])([H])C1([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1768.31
|
443 |
+
[H]C#CC([H])(C(=O)O[H])C([H])([H])[H],-1384.56
|
444 |
+
[H]OC([H])([H])C([H])([H])OC([H])=C([H])C([H])([H])[H],-1648.52
|
445 |
+
[H]N1C2([H])C(=O)C([H])([H])C([H])([H])C12[H],-1319.41
|
446 |
+
[H]C1OC(=C(C=1[H])C([H])([H])[H])N([H])[H],-1477.93
|
447 |
+
[H]C1C(=NOC=1C([H])([H])[H])C([H])([H])[H],-1464.21
|
448 |
+
[H]C([H])=C(C#N)C([H])([H])[H],-1065.62
|
449 |
+
[H]C([H])(C#N)C(=O)C([H])([H])C([H])([H])[H],-1474.1
|
450 |
+
[H]OC1(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])N([H])[H],-1719.6
|
451 |
+
[H]C([H])([H])C([H])([H])C([H])([H])C1([H])OC1([H])[H],-1545.42
|
452 |
+
[H]N1C(=NC([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H],-1804.67
|
453 |
+
[H]C([H])=C1C([H])([H])C([H])([H])C2([H])OC12[H],-1568.85
|
454 |
+
[H]OC1([H])C([H])([H])C([H])=C(C([H])([H])[H])C1([H])[H],-1731.09
|
455 |
+
[H]OC([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])N([H])[H],-1717.26
|
456 |
+
[H][C]1O[N]N=C1C([H])([H])C([H])([H])[H],-1321.07
|
457 |
+
[H]OC1SC([H])=C(C=1[H])N([H])[H],-1440.98
|
458 |
+
[H]C([H])([H])C(=NN(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1771.21
|
459 |
+
[H][C]([N]OC([H])([H])[H])C([H])([H])[H],-1105.28
|
460 |
+
[H]C1([H])C2([H])C([H])([H])C1([H])C1([H])C([H])([H])C21[H],-1741.42
|
461 |
+
[H]C([H])([H])C1([H])C(=O)C([H])([H])C1([H])C([H])([H])[H],-1725.4
|
462 |
+
[H]C1=C([H])C2([H])N([H])C1([H])C([H])([H])C2([H])[H],-1653.9
|
463 |
+
[H]C([H])=C([H])C(=C([H])[H])C([H])([H])OC([H])([H])[H],-1698.18
|
464 |
+
[H][C]([H])[N]N(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1467.09
|
465 |
+
[H]N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])N([H])[H],-1809.1
|
466 |
+
[H]C(=O)C(C([H])=O)(C([H])([H])[H])C([H])([H])[H],-1528.92
|
467 |
+
[H]N([H])C(=O)C([H])(N([H])C([H])([H])[H])C([H])([H])[H],-1625.88
|
468 |
+
[H]C1=C([H])C2([H])N(C2([H])[H])C1([H])C([H])([H])[H],-1413.76
|
469 |
+
[H]C(=O)N1OC([H])([H])C([H])([H])C1([H])[H],-1357.61
|
470 |
+
[H]C([H])=C1N([H])C(=O)OC1([H])[H],-1300.24
|
471 |
+
[H]N1C([H])([H])C1([H])C#CC([H])([H])[H],-1320.97
|
472 |
+
[H]C(=O)N(C([H])=C([H])[H])N([H])C([H])([H])[H],-1457.02
|
473 |
+
[H]C#CC#CC#C[H],-981.05
|
474 |
+
[H]C1SC(=C([H])C=1[H])N([H])C([H])([H])[H],-1311.57
|
475 |
+
[H]C([H])([H])C(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1869.34
|
476 |
+
[H]C#CC1=NN([H])C([H])=C1[H],-1659.01
|
477 |
+
[H]C1([H])OC1([H])C1([H])OC1([H])[H],-1191.44
|
478 |
+
[H]N=C(C([H])=C([H])[H])N([H])C([H])([H])[H],-1366.25
|
479 |
+
[H]C#CC(C#C[H])(C([H])([H])[H])C([H])([H])[H],-1586.9
|
480 |
+
[H]C([H])=C1C(=O)N([H])OC1([H])[H],-1246.0
|
481 |
+
[H]C#CC([H])([H])S(=O)(=O)C([H])([H])[H],-1362.13
|
482 |
+
[H]C#CC([H])([H])N([H])C([H])=N[H],-1208.21
|
483 |
+
[H]C([H])([H])OS([O])([O])C([H])([H])C([H])([H])[H],-1453.83
|
484 |
+
[H][N][C]1N([H])C([H])=C([H])C1([H])O[H],-1298.63
|
485 |
+
[H]C([H])=C(C#CC([H])([H])[H])C([H])([H])N([H])[H],-1503.27
|
486 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C1([H])OC1([H])[H],-1643.22
|
487 |
+
[H]C([H])=C([H])C(=O)N(C([H])([H])[H])C([H])([H])[H],-1600.79
|
488 |
+
[H]ON=C(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1708.82
|
489 |
+
[H]N1C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1304.18
|
490 |
+
[H]C([H])=C([H])C([H])([H])C([H])(C([H])=C([H])[H])C([H])([H])[H],-1902.2
|
491 |
+
[H]C(=O)N([H])N1C([H])([H])C([H])([H])C1([H])[H],-1167.58
|
492 |
+
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])OC1([H])[H],-1842.0
|
493 |
+
[H]OC1C([H])=C([H])N([H])C=1O[H],-1337.6
|
494 |
+
[H]C([H])=C([H])C([H])(OC([H])([H])[H])C([H])=C([H])[H],-1692.18
|
495 |
+
[H]N([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])[H],-1927.87
|
496 |
+
[H]C#CC([H])(N([H])C([H])([H])[H])C([H])([H])O[H],-1555.34
|
497 |
+
[H]C([H])([H])C1(C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H],-1897.56
|
498 |
+
[H]C(=O)C([H])([H])N([H])C([H])([H])[H],-1131.72
|
499 |
+
[H][C]([H])[N]N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1777.47
|
500 |
+
[H]C1=NOC([H])([H])C([H])([H])C1=C([H])[H],-1431.6
|
501 |
+
[H]N1C([H])([H])C([H])([H])C2([H])C([H])([H])C12[H],-1485.76
|
502 |
+
[H]C#CC(=C([H])OC([H])([H])[H])C([H])([H])[H],-1548.03
|
503 |
+
[H]C#CC([H])(N([H])[H])C([H])([H])N([H])C([H])([H])[H],-1625.13
|
504 |
+
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C#N,-1667.61
|
505 |
+
[H]ON(C(=O)C([H])([H])[H])C([H])=C([H])[H],-1384.44
|
506 |
+
[H]N=C(C([H])=C([H])C([H])([H])[H])N([H])O[H],-1440.53
|
507 |
+
[H]OC1([H])C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1843.18
|
508 |
+
[H]N([H])C([H])([H])C([H])(N([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1924.57
|
509 |
+
[H]N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])[H],-1561.49
|
510 |
+
[H]C([H])=C([H])C(=O)C#CC([H])([H])[H],-1427.95
|
511 |
+
[H]N1C([H])([H])C(=O)C1([H])[H],-993.7
|
512 |
+
[H]N(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])OC1([H])[H],-1705.49
|
513 |
+
[H]C([H])=C(C(=O)C([H])([H])[H])C([H])([H])[H],-1432.27
|
514 |
+
[H]N=C([H])N(C(=O)C([H])([H])[H])C([H])([H])[H],-1490.19
|
515 |
+
[H]C([H])=C([H])C1([H])C(=O)C([H])([H])C1([H])[H],-1575.81
|
516 |
+
[H]C1OC(=O)C([H])([H])C=1[H],-1115.25
|
517 |
+
[H]N([H])C1([H])C([H])(N([H])C([H])([H])[H])C1([H])C([H])([H])[H],-1781.56
|
518 |
+
[H]C#CC([H])(O[H])C([H])([H])C([H])([H])[H],-1395.64
|
519 |
+
[H]C#CC([C]([H])[H])=C([H])[N]O[H],-1098.8
|
520 |
+
[H]C1=NC2([H])C([H])([H])C([H])([H])C2([H])N1[H],-1531.9
|
521 |
+
[H]C1=NC([H])([H])C([H])(N1[H])C([H])([H])C([H])([H])[H],-1372.06
|
522 |
+
[H]N1C(=O)C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H],-1613.34
|
523 |
+
[H]C#CC([H])([H])C([H])([H])C(=O)O[H],-1385.49
|
524 |
+
[H]OC1([H])C([H])([H])N([H])C([H])([H])C1([H])O[H],-1470.43
|
525 |
+
[H]C([H])([H])C1([H])C2([H])OC1([H])C([H])([H])C2([H])[H],-1707.74
|
526 |
+
[H]C1=NN=C([H])C1=C([H])[H],-1082.2
|
527 |
+
[H]C1ON=C(C=1N([H])[H])C([H])([H])[H],-1330.68
|
528 |
+
[H]OC([H])([H])C1=C([H])C([H])([H])C([H])([H])C1([H])[H],-1725.97
|
529 |
+
[H]C1C(=O)ON([H])C=1C([H])([H])[H],-1267.33
|
530 |
+
[H][C]([N]OC([H])([H])C([H])([H])[H])C([H])([H])N([H])[H],-1569.61
|
531 |
+
[H]C([H])=C([H])C([H])(C([H])=C([H])[H])N([H])C([H])([H])[H],-1766.81
|
532 |
+
[H]C1=C([H])C2([H])C([H])([H])C2([H])OC1([H])[H],-1569.15
|
533 |
+
[H]C([H])=C1C([H])([H])C([H])([H])C2([H])N([H])C12[H],-1514.86
|
534 |
+
[H]C#CC([H])([H])C(=C([H])[H])C([H])([H])C([H])([H])[H],-1747.73
|
535 |
+
[H]C([H])=C([H])OC([H])([H])C#N,-1151.59
|
536 |
+
[H]C([H])([H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H],-1862.81
|
537 |
+
[H]N1C2([H])C(=O)C1([H])C([H])([H])C2([H])[H],-1577.48
|
538 |
+
[H]C([H])=C1C([H])=C(C([H])([H])[H])C([H])([H])C1([H])[H],-1791.48
|
539 |
+
[H]ON([H])C([H])=NC([H])=C([H])C([H])([H])[H],-1436.2
|
540 |
+
[H]C(=O)C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1724.6
|
541 |
+
[H]C(=O)C([H])([H])N([H])C([H])([H])C#N,-1661.49
|
542 |
+
[H]C#CC([H])(C([H])=C([H])[H])C([H])([H])O[H],-1543.28
|
543 |
+
[H]C#CC([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])[H],-1748.27
|
544 |
+
[H]N=C1N(O[H])C([H])=C([H])C1([H])[H],-1445.0
|
545 |
+
[H]ON(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H],-1523.34
|
546 |
+
[H]N=C([H])N(C(=C([H])[H])C([H])([H])[H])C([H])([H])[H],-1655.91
|
547 |
+
[H]N1C2([H])C([H])([H])C([H])([H])C([H])([H])C12C([H])([H])[H],-1788.35
|
548 |
+
[H]OC1(C([H])([H])C1([H])[H])C([H])(N([H])[H])C([H])([H])[H],-1720.2
|
549 |
+
[H]C([H])=C(C([H])([H])N([H])[H])C1([H])N([H])C1([H])[H],-1639.72
|
550 |
+
[H]OC([H])([H])C(=O)N1C([H])([H])C1([H])[H],-1276.37
|
551 |
+
[H]C1([H])ON=C(O1)C([H])([H])C([H])([H])[H],-1380.68
|
552 |
+
[H]C([H])([H])OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1689.69
|
553 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1846.74
|
554 |
+
[H]C(=C([H])C1([H])OC1([H])[H])C([H])([H])C([H])([H])[H],-1695.5
|
555 |
+
[H]C([H])=C([H])OC([H])([H])C([H])([H])N([H])C([H])([H])[H],-1710.8
|
556 |
+
[H]C(=O)C([H])=C([H])C([H])([H])C([H])=O,-1390.93
|
557 |
+
[H]OC([H])([H])C(=O)C([H])([H])C([H])=C([H])[H],-1524.47
|
558 |
+
[H]OC(=O)C#CC([H])([H])[H],-1092.62
|
559 |
+
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1929.19
|
560 |
+
[H]C([H])([H])C([H])(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1989.7
|
561 |
+
[H]C([H])=C([H])C(=NC([H])([H])[H])N([H])C([H])([H])[H],-1656.1
|
562 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])N([H])C([H])([H])[H],-1713.98
|
563 |
+
[H]C([H])=C([H])C1([H])N([H])C1([H])[H],-1173.81
|
564 |
+
[H]C#CC([H])(N([H])[H])C([H])([H])C([H])([H])[H],-1465.19
|
565 |
+
[H]C#CC1=NC([H])([H])C([H])([H])N1[H],-1562.75
|
566 |
+
[H]ON1N=C([H])C(=C1[H])C([H])([H])[H],-1313.78
|
567 |
+
[H][C]([N]N([H])[H])C([H])([H])OC([H])=C([H])[H],-1432.72
|
568 |
+
[H]C1=NN=C(C1=C([H])[H])C([H])([H])[H],-1520.58
|
569 |
+
[H]C(=O)OC([H])=C([H])C([H])=C([H])[H],-1392.94
|
570 |
+
[H]C([H])(C#N)OC([H])(C([H])([H])[H])C([H])([H])[H],-1591.14
|
571 |
+
[H][C](C#N)[N]N1C([H])([H])C1([H])[H],-1228.07
|
572 |
+
[H]C([H])([H])C#CC([H])(OC([H])([H])[H])C([H])([H])[H],-1686.97
|
573 |
+
[H]OC1([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N([H])[H],-1712.95
|
574 |
+
[H]C1=C(C#N)OC([H])([H])C1([H])[H],-1328.72
|
575 |
+
[H]C([H])=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1851.8
|
576 |
+
[H]C1([H])OC([H])([H])C([H])([H])C([H])([H])OC1([H])[H],-1651.27
|
577 |
+
[H]C1=C([H])C2([H])C([H])([H])C2(C([H])([H])[H])C1([H])[H],-1780.47
|
578 |
+
[H]C#CC(=C([H])[H])C1([H])C([H])([H])C1([H])[H],-1602.64
|
579 |
+
[H]C#CC([H])(O[H])C(=O)C([H])([H])[H],-1363.62
|
580 |
+
[H]N1C([H])([H])C([H])([H])C2(C1([H])[H])C([H])([H])C2([H])[H],-1784.71
|
581 |
+
[H]C1=NC([H])([H])C(N1[H])(C([H])([H])[H])C([H])([H])[H],-1113.93
|
582 |
+
[H]OC([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1698.79
|
583 |
+
[H]OC1([H])C(=NN([H])C1([H])[H])C([H])([H])[H],-1463.68
|
584 |
+
[H]C([H])=C([H])C([H])([H])S(=O)(=O)C([H])([H])[H],-1228.25
|
585 |
+
[H]N([H])C([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1487.24
|
586 |
+
[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])=O,-1665.78
|
587 |
+
[H]C([H])=C([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-2046.71
|
588 |
+
[H]ON1C([H])=C([H])C(=C1[H])N([H])[H],-1312.45
|
589 |
+
[H]C([H])=C1OC([H])([H])C([H])([H])C1([H])[H],-1427.98
|
590 |
+
[H]C1([H])N(C1([H])[H])S(=O)(=O)C([H])([H])[H],-1312.73
|
591 |
+
[H]C#CC([H])([H])C([H])([H])N([H])[N][C]([H])[H],-1473.46
|
592 |
+
[H]C1=NOC([H])([H])C([H])([H])C1([H])N([H])[H],-1439.94
|
593 |
+
[H][C]([N]N([H])C(=O)C([H])([H])[H])C([H])([H])[H],-1478.34
|
594 |
+
[H]C(=O)OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1676.76
|
595 |
+
[H]N([H])C(=C(C#N)C([H])([H])[H])C([H])([H])[H],-1546.78
|
596 |
+
[H]ON=C(C([H])([H])[H])C([H])([H])C([H])([H])N([H])[H],-1580.73
|
597 |
+
[H]C([H])=C1C([H])([H])N([H])C2([H])C([H])([H])C12[H],-1789.96
|
598 |
+
[H]OC1=C([H])OC([H])=C1[H],-1103.89
|
599 |
+
[H]N([H])C1([H])C2([H])OC([H])([H])OC21[H],-1372.75
|
600 |
+
[H]C([H])=NN(C(=O)C([H])([H])[H])C([H])([H])[H],-1467.24
|
601 |
+
[H]C1=NOC(C([H])=C([H])[H])=C1[H],-1314.58
|
602 |
+
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])OC1([H])[H],-1546.22
|
603 |
+
[H][C]([H])[N]OC1([H])C([H])([H])C([H])([H])C1([H])[H],-1548.81
|
604 |
+
[H]N(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1910.13
|
605 |
+
[H][C]([N]OC([H])([H])[H])OC([H])=C([H])[H],-1350.24
|
606 |
+
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1926.32
|
607 |
+
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])[H],-1626.31
|
608 |
+
[H]C#CC1([H])N(C([H])=N[H])C1([H])[H],-1338.98
|
609 |
+
[H]C#CC([H])(O[H])C([H])(N([H])[H])C([H])([H])[H],-1560.92
|
610 |
+
[H]OC([H])([H])C1([H])C(=O)C([H])([H])N1[H],-1590.5
|
611 |
+
[H]C([H])=C([H])C#CC1([H])C([H])([H])C1([H])[H],-1608.86
|
612 |
+
[H]OC1([H])C([H])([H])C1([H])C([H])=O,-1216.97
|
613 |
+
[H]C([H])=C([H])C(=C([H])[H])C1([H])OC1([H])[H],-1555.34
|
614 |
+
[H]C1ON=C(C=1[H])C([H])([H])C([H])([H])[H],-1457.93
|
615 |
+
[H]N([H])C([H])([H])C1(OC1([H])[H])C([H])([H])[H],-1418.65
|
616 |
+
[H]C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1867.81
|
617 |
+
[H]C1=NN([H])C([H])(C([H])([H])[H])C1([H])[H],-1363.69
|
618 |
+
[H]O[N][C]([H])C([H])([H])[H],-816.7
|
619 |
+
[H]N([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H],-1714.08
|
620 |
+
[H]OC([H])(C([H])=C([H])[H])C1([H])C([H])([H])C1([H])[H],-1702.27
|
621 |
+
[H]C1=NN([H])C([H])([H])C([H])([H])C([H])([H])O1,-1454.59
|
622 |
+
[H]C([H])=C([H])C([H])([H])C#CC([H])([H])[H],-1455.92
|
623 |
+
[H]O[N]C([H])=C([H])[C]([H])OC([H])([H])[H],-1363.63
|
624 |
+
[H]OC([H])(C#CC([H])([H])C([H])([H])[H])C([H])([H])[H],-1696.86
|
625 |
+
[H]C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])N([H])[H],-1780.45
|
626 |
+
[H]N(C(=NC([H])([H])[H])OC([H])([H])[H])C([H])([H])[H],-1598.79
|
627 |
+
[H]C#CC([H])(C#N)N([H])C([H])([H])[H],-1355.63
|
628 |
+
[H]C([H])([H])C(=C(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-2050.56
|
629 |
+
[H]C(=O)C([H])=C([H])N1C([H])([H])C1([H])[H],-1166.69
|
630 |
+
[H]C([H])([H])C([H])([H])C1([H])OC1([H])C([H])([H])[H],-1549.87
|
631 |
+
[H]N1C([H])([H])C([H])([H])C([H])([H])C1([H])C#N,-1539.58
|
632 |
+
[H]OC1([H])C([H])=C([H])C2([H])N([H])C12[H],-1632.72
|
633 |
+
[H]C1=NN([H])C([H])=C([H])C1=O,-1312.23
|
634 |
+
[H]C#CC(=O)N(C([H])([H])[H])C([H])([H])[H],-1442.1
|
635 |
+
[H]OC([H])([H])C([H])=C([H])C([H])=C([H])[H],-1412.82
|
636 |
+
[H][C]([N]OC([H])([H])C([H])([H])[H])OC([H])([H])[H],-1496.96
|
637 |
+
[H]C#CC(OC([H])=O)=C([H])[H],-1227.06
|
638 |
+
[H]O[N]C([H])=C([C]([H])[H])C([H])([H])O[H],-1204.54
|
639 |
+
[H]OC1C([H])=C(N([H])C=1[H])C([H])([H])[H],-1485.01
|
640 |
+
[H]C#CC1([H])OC1([H])C([H])([H])N([H])[H],-1410.5
|
641 |
+
[H]OC([H])([H])C([H])(C([H])=C([H])[H])N([H])C([H])([H])[H],-1713.47
|
642 |
+
[H]N1C(=O)C(N([H])[H])(C([H])([H])[H])C1([H])[H],-1480.64
|
643 |
+
[H]C([H])([H])C#CC1([H])C([H])([H])C([H])([H])C1([H])[H],-1750.91
|
644 |
+
[H]C#CC1([H])N([N][C]([H])[H])C1([H])[H],-1320.04
|
645 |
+
[H]OC([H])([H])C(=C([H])[H])C1([H])OC1([H])[H],-1494.26
|
646 |
+
[H]C([H])([H])C([H])([H])C1([H])OC(=O)C1([H])[H],-1545.29
|
647 |
+
[H]C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-1454.38
|
648 |
+
[H]C(=O)N1C([H])=C([H])C([H])([H])N1[H],-1602.21
|
649 |
+
[H]OC([H])([H])C1([H])N([H])C(=O)C1([H])[H],-1248.46
|
650 |
+
[H]C#CC([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1595.31
|
651 |
+
[H]C1C(=O)C([H])([H])C([H])(C=1[H])C([H])([H])[H],-1605.4
|
652 |
+
[H]C([H])=C([H])C([H])([H])C([H])=C([H])C#N,-1657.07
|
653 |
+
[H]C([H])([H])OC([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1838.28
|
654 |
+
[H]N([H])C1([H])C([H])([H])OC1(C([H])([H])[H])C([H])([H])[H],-1715.96
|
655 |
+
[H]N1C(=O)N([H])C([H])(C([H])([H])[H])C1([H])[H],-1512.44
|
656 |
+
[H]C1=NN(OC([H])([H])[H])C([H])=C1[H],-1307.37
|
657 |
+
[H]C(=O)N1N=C([H])C([H])([H])C1([H])[H],-1231.29
|
658 |
+
[H]C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H],-1917.65
|
659 |
+
[H]OC([H])([H])C(OC([H])([H])C([H])([H])[H])=C([H])[H],-1649.04
|
660 |
+
[H]C1=C([H])C([H])([H])C(=O)OC1([H])[H],-1411.36
|
661 |
+
[H]C([H])=C1OC([H])([H])C([H])=C1[H],-1289.94
|
662 |
+
[H]C1=NC([H])([H])C([H])([H])N1C([H])([H])[H],-1373.65
|
663 |
+
[H]C([H])=C1C([H])([H])C2([H])N([H])C1([H])C2([H])[H],-1626.66
|
664 |
+
[H]C1=NN([H])C([H])([H])C([H])=C1[H],-1220.99
|
665 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1464.45
|
666 |
+
[H]C1SC([H])=C(C=1[H])N([H])C([H])([H])[H],-1317.18
|
667 |
+
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])[H],-1555.89
|
668 |
+
[H]C1([H])ON=C(C([H])([H])[H])C([H])([H])O1,-1370.72
|
669 |
+
[H]C#CC([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1752.4
|
670 |
+
[H]OC1(C([H])=C([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1701.34
|
671 |
+
[H]N([H])C1([H])C([H])([H])OC1([H])C([H])([H])[H],-1417.09
|
672 |
+
[H]OC1(C([H])([H])N([H])[H])C([H])([H])N([H])C1([H])[H],-1581.98
|
673 |
+
[H]C1=C(OC([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H],-1725.39
|
674 |
+
[H]C1ON=C(C#N)C=1[H],-1059.16
|
675 |
+
[H]O[N][C]([H])C([H])([H])C([H])([H])C([H])([H])O[H],-1575.71
|
676 |
+
[H]C([H])=C1OC([H])([H])C([H])([H])OC1([H])[H],-1515.17
|
677 |
+
[H]C(=O)OC([H])=C([H])C([H])([H])[H],-1237.65
|
678 |
+
[H]C1=NOC([H])([H])C([H])([H])C1=O,-1570.62
|
679 |
+
[H]C#CC(=NC([H])([H])[H])N([H])C([H])([H])[H],-1490.57
|
680 |
+
[H]C([H])=C([H])C1([H])C([H])=C([H])C([H])([H])N1[H],-1537.08
|
681 |
+
[H]N([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-1916.81
|
682 |
+
[H]OC([H])([H])C([H])([H])C#CC([H])=O,-1363.75
|
683 |
+
[H]OC([H])([H])C([H])(N([H])[H])C1([H])C([H])([H])C1([H])[H],-1587.63
|
684 |
+
[H][N][C]1OC([H])=C([H])N1C([H])([H])[H],-1342.31
|