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Compound Details | |||||
S.No. | Molceule ID (DB) | Molecule_name | POLAR SURFACE AREA 2D(+/- 5) | ||
1 | EGIN0000007 | 3a | 62.7 | ||
2 | EGIN0000008 | 3b | 62.7 | ||
3 | EGIN0000009 | 3c | 62.7 | ||
4 | EGIN0000072 | 2y | 59.31 | ||
5 | EGIN0000073 | 2z | 59.31 | ||
6 | EGIN0000076 | 2ac | 62.39 | ||
7 | EGIN0000077 | 2ad | 62.39 | ||
8 | EGIN0000083 | 3a | 62.75 | ||
9 | EGIN0000086 | 3d | 59.51 | ||
10 | EGIN0000087 | 3e | 62.75 | ||
11 | EGIN0000091 | 3i | 59.51 | ||
12 | EGIN0000092 | 3j | 62.75 | ||
13 | EGIN0000095 | 3m | 59.51 | ||
14 | EGIN0000096 | 3n | 59.51 | ||
15 | EGIN0000097 | 3o | 62.75 | ||
16 | EGIN0000162 | 1 | 66.4 | ||
17 | EGIN0000169 | 8 | 58.04 | ||
18 | EGIN0000170 | 9 | 63.83 | ||
19 | EGIN0000172 | 11 | 64.11 | ||
20 | EGIN0000173 | 12 | 58.69 | ||
21 | EGIN0000251 | 8 | 59.81 | ||
22 | EGIN0000260 | 2a | 66.49 | ||
23 | EGIN0000263 | 2d | 58.87 | ||
24 | EGIN0000276 | 6 | 66.07 | ||
25 | EGIN0000277 | 7 | 60.08 | ||
26 | EGIN0000282 | 6 | 66.76 | ||
27 | EGIN0000286 | 11 | 58.56 | ||
28 | EGIN0000331 | 2p | 65.94 | ||
29 | EGIN0000332 | 2q | 65.94 | ||
30 | EGIN0000410 | 5a | 57.78 | ||
31 | EGIN0000411 | 5e | 61.02 | ||
32 | EGIN0000576 | 5 | 58.81 | ||
33 | EGIN0000583 | 12 | 59.51 | ||
34 | EGIN0000584 | 13 | 65.5 | ||
35 | EGIN0000585 | 14 | 65.5 | ||
36 | EGIN0000587 | 16 | 59.51 | ||
37 | EGIN0000590 | 19 | 59.51 | ||
38 | EGIN0000591 | 20 | 59.51 | ||
39 | EGIN0000629 | 3c | 64.11 | ||
40 | EGIN0000650 | ZD6474 | 59.51 | ||
41 | EGIN0000651 | 4a | 63.59 | ||
42 | EGIN0000653 | 5a | 63.59 | ||
43 | EGIN0000656 | 5d | 66.83 | ||
44 | EGIN0000663 | 6a | 63.59 | ||
45 | EGIN0000666 | 6d | 66.83 | ||
46 | EGIN0000676 | 5f | 62.73 | ||
47 | EGIN0000678 | 5h | 59.93 | ||
48 | EGIN0000685 | 7f | 61.14 | ||
49 | EGIN0000687 | 7h | 58.34 | ||
50 | EGIN0000689 | 13f | 61.14 | ||
51 | EGIN0000694 | 9f | 61.14 | ||
52 | EGIN0000701 | 11f | 61.14 | ||
53 | EGIN0000703 | 11h | 58.34 | ||
54 | EGIN0000712 | 9 | 63.83 | ||
55 | EGIN0000713 | 10 | 63.83 | ||
56 | EGIN0000714 | RB10 | 63.83 | ||
57 | EGIN0000720 | 17 | 63.83 | ||
58 | EGIN0000721 | 18 | 63.83 | ||
59 | EGIN0000722 | 19 | 63.83 | ||
60 | EGIN0000723 | 20 | 63.83 | ||
61 | EGIN0000724 | 21 | 63.83 | ||
62 | EGIN0000725 | 22 | 63.83 | ||
63 | EGIN0000741 | 38 | 58.04 | ||
64 | EGIN0000750 | 47 | 63.83 | ||
65 | EGIN0000767 | 64 | 65.5 | ||
66 | EGIN0000768 | 65 | 65.5 | ||
67 | EGIN0000787 | 8l | 59.93 | ||
68 | EGIN0000788 | 8m | 59.93 | ||
69 | EGIN0000801 | 30 | 66.38 | ||
70 | EGIN0000802 | 32 | 66.32 | ||
71 | EGIN0000804 | 41 | 57.78 | ||
72 | EGIN0000819 | 11 | 58.56 | ||
73 | EGIN0000836 | 28 | 58.56 | ||
74 | EGIN0000840 | 32 | 58.56 | ||
75 | EGIN0000841 | FLUOROURACIL | 58.2 | ||
76 | EGIN0000881 | 51 | 63.61 | ||
77 | EGIN0000882 | 52 | 60.45 | ||
78 | EGIN0000947 | 27 | 63.83 | ||
79 | EGIN0000950 | 30 | 63.83 | ||
80 | EGIN0000953 | 33 | 63.83 | ||
81 | EGIN0000956 | 36 | 63.83 | ||
82 | EGIN0000962 | 42 | 63.83 | ||
83 | EGIN0000971 | 51 | 63.83 | ||
84 | EGIN0000982 | 16 | 62.83 | ||
85 | EGIN0001005 | 39 | 62.83 | ||
86 | EGIN0001073 | 3a | 62.75 | ||
87 | EGIN0001075 | 3c | 59.51 | ||
88 | EGIN0001076 | 3d | 59.51 | ||
89 | EGIN0001077 | 3e | 62.75 | ||
90 | EGIN0001079 | 3g | 59.51 | ||
91 | EGIN0001081 | 3i | 59.51 | ||
92 | EGIN0001084 | 3l | 59.51 | ||
93 | EGIN0001085 | 3m | 59.51 | ||
94 | EGIN0001086 | 3n | 59.51 | ||
95 | EGIN0001087 | 3o | 62.75 | ||
96 | EGIN0001089 | 3q | 59.51 | ||
97 | EGIN0001093 | EXEL-7647 | 59.51 | ||
98 | EGIN0001133 | 38 | 64.34 | ||
99 | EGIN0001139 | 5 | 58.12 | ||
100 | EGIN0001140 | 6 | 64.6 | ||
101 | EGIN0001141 | 8 | 61.36 | ||
102 | EGIN0001152 | 10e | 61.55 | ||
103 | EGIN0001153 | 10f | 61.55 | ||
104 | EGIN0001210 | 11 | 58.04 | ||
105 | EGIN0001213 | 14 | 61.6 | ||
106 | EGIN0001214 | 15 | 63.11 | ||
107 | EGIN0001357 | 1k | 66.52 | ||
108 | EGIN0001362 | 11b | 66.72 | ||
109 | EGIN0001449 | 7 | 60.04 | ||
110 | EGIN0001520 | 5d | 66.05 | ||
111 | EGIN0001521 | 5e | 58.04 | ||
112 | EGIN0001522 | 5f | 58.04 | ||
113 | EGIN0001523 | 5g | 58.04 | ||
114 | EGIN0001524 | 5h | 58.04 | ||
115 | EGIN0001525 | 5i | 58.04 | ||
116 | EGIN0001543 | 9 | 66.49 | ||
117 | EGIN0001545 | 11 | 58.87 | ||
118 | EGIN0001547 | 13 | 58.87 | ||
119 | EGIN0001548 | 14 | 58.87 | ||
120 | EGIN0001549 | 15 | 66.49 | ||
121 | EGIN0001550 | 16 | 66.49 | ||
122 | EGIN0001553 | 19 | 66.49 | ||
123 | EGIN0001558 | 24 | 63.59 | ||
124 | EGIN0001562 | 2 | 58.04 | ||
125 | EGIN0001579 | 52 | 66.49 | ||
126 | EGIN0001657 | 2 | 66.04 | ||
127 | EGIN0001661 | 6 | 60.05 | ||
128 | EGIN0001669 | 14 | 66.04 | ||
129 | EGIN0001676 | 21 | 64.65 | ||
130 | EGIN0001681 | 26 | 61.09 | ||
131 | EGIN0001683 | 28 | 61.09 | ||
132 | EGIN0001684 | 29 | 64.33 | ||
133 | EGIN0001685 | 30 | 61.09 | ||
134 | EGIN0001710 | 55 | 63.37 | ||
135 | EGIN0001711 | 56 | 60.47 | ||
136 | EGIN0001713 | SALICYLIC ACID | 57.53 | ||
137 | EGIN0001714 | COUMARIC ACID | 57.53 | ||
138 | EGIN0001732 | 12 | 59.51 | ||
139 | EGIN0001733 | 13 | 59.51 | ||
140 | EGIN0001734 | 14 | 59.51 | ||
141 | EGIN0001735 | 15 | 59.51 | ||
142 | EGIN0001736 | 16 | 59.51 | ||
143 | EGIN0001737 | 17 | 59.51 | ||
144 | EGIN0001756 | PD-0173956 | 58.12 | ||
145 | EGIN0001759 | PD-0180970 | 58.12 | ||
146 | EGIN0001760 | 6 | 65.96 | ||
147 | EGIN0001792 | 14 | 66.49 | ||
148 | EGIN0001812 | 27 | 61.77 | ||
149 | EGIN0001820 | 45 | 64.18 | ||
150 | EGIN0001826 | 51 | 64.18 | ||
151 | EGIN0001833 | 5 | 63.83 | ||
152 | EGIN0001838 | 5b | 64.34 | ||
153 | EGIN0001839 | 5c | 64.34 | ||
154 | EGIN0001843 | 10a | 59.51 | ||
155 | EGIN0001844 | 10b | 59.51 | ||
156 | EGIN0001858 | 2g | 65.2 | ||
157 | EGIN0001859 | 2h | 65.2 | ||
158 | EGIN0001886 | 16 | 60.18 | ||
159 | EGIN0001905 | Vandetanib | 58.45 | ||
160 | EGIN0001918 | 21 | 57.94 | ||
161 | EGIN0001919 | 22 | 57.94 | ||
162 | EGIN0001929 | 32 | 61.18 | ||
163 | EGIN0001931 | 34 | 61.18 | ||
164 | EGIN0001932 | 35 | 61.18 | ||
165 | EGIN0001946 | 2f | 64.47 | ||
166 | EGIN0001951 | 2k | 60.37 | ||
167 | EGIN0001959 | 8n | 60.03 | ||
168 | EGIN0001960 | 8o | 62.06 | ||
169 | EGIN0001971 | 20 | 60.03 | ||
170 | EGIN0001972 | 21 | 60.03 | ||
171 | EGIN0001973 | 22 | 60.03 | ||
172 | EGIN0002029 | 7g | 64.86 | ||
173 | EGIN0002030 | 7h | 64.86 | ||
174 | EGIN0002031 | 7i | 64.86 | ||
175 | EGIN0002235 | 4 | 62.73 | ||
176 | EGIN0002236 | 5 | 62.73 | ||
177 | EGIN0002238 | 7 | 57.18 | ||
178 | EGIN0002241 | 10 | 66.49 | ||
179 | EGIN0002248 | 17 | 59.93 | ||
180 | EGIN0002264 | 33 | 66.49 | ||
181 | EGIN0002274 | 9 | 58.64 | ||
182 | EGIN0002305 | 6i | 62.73 | ||
183 | EGIN0002306 | 6j | 62.73 | ||
184 | EGIN0002309 | 6m | 65.97 | ||
185 | EGIN0002311 | 6o | 65.97 | ||
186 | EGIN0002312 | 6p | 65.97 | ||
187 | EGIN0002313 | 6q | 65.97 | ||
188 | EGIN0002363 | 5c | 57.01 | ||
189 | EGIN0002368 | 5g | 57.01 | ||
190 | EGIN0002377 | 5p | 57.01 | ||
191 | EGIN0002382 | 5 | 59.29 | ||
192 | EGIN0002484 | 9 | 58.04 | ||
193 | EGIN0002486 | 9b | 58.04 | ||
194 | EGIN0002487 | 9c | 58.04 | ||
195 | EGIN0002488 | 9d | 58.04 | ||
196 | EGIN0002495 | R-16 | 58.12 | ||
197 | EGIN0002496 | R-17 | 58.12 | ||
198 | EGIN0002503 | R-24 | 61.36 | ||
199 | EGIN0002504 | R-25 | 61.36 | ||
200 | EGIN0002552 | 1 | 66.05 | ||
201 | EGIN0002611 | 9 | 57.53 | ||
202 | EGIN0002623 | 26 | 57.53 | ||
203 | EGIN0002626 | 30 | 57.53 | ||
204 | EGIN0002740 | 3 | 62.46 | ||
205 | EGIN0002775 | 7bb | 57.44 | ||
206 | EGIN0002785 | 1 | 60.47 | ||
207 | EGIN0002792 | 8 | 60.72 | ||
208 | EGIN0002797 | 13 | 63.37 | ||
209 | EGIN0002868 | 10 | 66.24 | ||
210 | EGIN0002937 | 14 | 61.44 | ||
211 | EGIN0002940 | 17 | 61.44 | ||
212 | EGIN0002941 | 18 | 61.44 | ||
213 | EGIN0002974 | 18 | 64.96 | ||
214 | EGIN0002979 | 23 | 62.46 | ||
215 | EGIN0002980 | 24 | 62.46 | ||
216 | EGIN0002993 | 37 | 62.46 | ||
217 | EGIN0002995 | 1 | 60.41 | ||
218 | EGIN0002996 | 2 | 60.41 | ||
219 | EGIN0002998 | 6 | 60.41 | ||
220 | EGIN0002999 | 7 | 60.41 | ||
221 | EGIN0003001 | 9 | 60.41 | ||
222 | EGIN0003006 | 22 | 60.41 | ||
223 | EGIN0003008 | 24 | 60.41 | ||
224 | EGIN0003092 | 7 | 59.93 | ||
225 | EGIN0003101 | 16 | 59.51 | ||
226 | EGIN0003102 | 17 | 59.51 | ||
227 | EGIN0003103 | 18 | 59.51 | ||
228 | EGIN0003105 | 20 | 59.51 | ||
229 | EGIN0003111 | 26 | 59.51 | ||
230 | EGIN0003112 | 27 | 59.51 | ||
231 | EGIN0003116 | 31 | 59.07 | ||
232 | EGIN0003118 | 8a | 66.49 | ||
233 | EGIN0003123 | (R)-3 | 65.21 | ||
234 | EGIN0003124 | 14 | 65.21 | ||
235 | EGIN0003159 | 32 | 63.42 | ||
236 | EGIN0003164 | 42 | 63.17 | ||
237 | EGIN0003179 | 1 | 58.64 | ||
238 | EGIN0003193 | 10b | 64.35 | ||
239 | EGIN0003195 | 37 | 61.28 | ||
240 | EGIN0003220 | SB-242235 | 64.86 | ||
241 | EGIN0003222 | SB203580 | 58.64 | ||
242 | EGIN0003245 | 11 | 62.39 | ||
243 | EGIN0003248 | 1e | 65.96 | ||
244 | EGIN0003250 | 1g | 65.96 | ||
245 | EGIN0003288 | 43 | 66.21 | ||
246 | EGIN0003295 | 41 | 57.78 | ||
247 | EGIN0003300 | 13 | 62.45 | ||
248 | EGIN0003301 | 14 | 62.45 | ||
249 | EGIN0003302 | 15 | 62.45 | ||
250 | EGIN0003303 | 16 | 62.45 | ||
251 | EGIN0003304 | 17 | 62.45 | ||
252 | EGIN0003408 | 41 | 65.97 | ||
253 | EGIN0003410 | 7 | 63.83 | ||
254 | EGIN0003456 | 7f | 61.08 | ||
255 | EGIN0003457 | 7g | 61.08 | ||
256 | EGIN0003473 | 12 | 65.77 | ||
257 | EGIN0003474 | 13 | 65.77 | ||
258 | EGIN0003475 | 14 | 65.77 | ||
259 | EGIN0003482 | 21 | 65.77 | ||
260 | EGIN0003483 | 22 | 56.98 | ||
261 | EGIN0003485 | 24 | 65.77 | ||
262 | EGIN0003499 | 1 | 58.2 | ||
263 | EGIN0003525 | 10 | 64.99 | ||
264 | EGIN0003526 | 11 | 64.99 | ||
265 | EGIN0003528 | 13 | 64.99 | ||
266 | EGIN0003562 | 21 | 62.46 | ||
267 | EGIN0003606 | 23 | 66.49 | ||
268 | EGIN0003657 | 5b | 62.73 | ||
269 | EGIN0003663 | 5h | 65.97 | ||
270 | EGIN0003664 | 5i | 65.97 | ||
271 | EGIN0003665 | 5j | 65.97 | ||
272 | EGIN0003668 | 5m | 57.18 | ||
273 | EGIN0003678 | 5w | 57.18 | ||
274 | EGIN0003682 | 6b | 62.73 | ||
275 | EGIN0003683 | 7b | 62.73 | ||
276 | EGIN0003684 | 8b | 62.73 | ||
277 | EGIN0003686 | 9b | 62.73 | ||
278 | EGIN0003710 | 28 | 66.4 | ||
279 | EGIN0003744 | 62 | 57.78 | ||
280 | EGIN0003747 | 21 | 58.12 | ||
281 | EGIN0003748 | 22 | 58.12 | ||
282 | EGIN0003749 | 23 | 58.12 | ||
283 | EGIN0003750 | 24 | 58.12 | ||
284 | EGIN0003751 | 25 | 58.12 | ||
285 | EGIN0003753 | 27 | 58.12 | ||
286 | EGIN0003758 | 32 | 64.6 | ||
287 | EGIN0003759 | 33 | 64.6 | ||
288 | EGIN0003765 | 39 | 58.12 | ||
289 | EGIN0003770 | 44 | 58.12 | ||
290 | EGIN0003771 | 45 | 58.12 | ||
291 | EGIN0003772 | 46 | 58.12 | ||
292 | EGIN0003786 | 1 | 58.64 | ||
293 | EGIN0003844 | 49 | 62.83 | ||
294 | EGIN0003853 | 58 | 63.83 | ||
295 | EGIN0003854 | 59 | 63.83 | ||
296 | EGIN0003855 | 60 | 63.83 | ||
297 | EGIN0003856 | 61 | 63.83 | ||
298 | EGIN0003858 | 63 | 63.83 | ||
299 | EGIN0003859 | 64 | 63.83 | ||
300 | EGIN0003866 | 71 | 63.83 | ||
301 | EGIN0003873 | 3e | 66.14 | ||
302 | EGIN0003874 | 3n | 56.91 | ||
303 | EGIN0003940 | 3 | 65.5 | ||
304 | EGIN0003941 | 4 | 62.75 | ||
305 | EGIN0003942 | 5 | 62.75 | ||
306 | EGIN0003943 | 6 | 62.75 | ||
307 | EGIN0003946 | 9 | 59.51 | ||
308 | EGIN0003947 | 10 | 59.51 | ||
309 | EGIN0003948 | 11 | 59.51 | ||
310 | EGIN0003951 | 15 | 59.51 | ||
311 | EGIN0003952 | 16 | 59.51 | ||
312 | EGIN0003955 | 19 | 59.51 | ||
313 | EGIN0003956 | 20 | 59.51 | ||
314 | EGIN0003962 | 26 | 59.51 | ||
315 | EGIN0003963 | 27 | 59.51 | ||
316 | EGIN0003965 | 29 | 59.51 | ||
317 | EGIN0003966 | 30 | 59.51 | ||
318 | EGIN0003967 | 31 | 59.51 | ||
319 | EGIN0004023 | 6a | 63.08 | ||
320 | EGIN0004070 | JNJ-10198409 | 59.17 | ||
321 | EGIN0004075 | 1m | 66.52 | ||
322 | EGIN0004079 | 1q | 66.52 | ||
323 | EGIN0004087 | 1d | 60.04 | ||
324 | EGIN0004090 | 1g | 63.28 | ||
325 | EGIN0004151 | CEP-5104 | 63.49 | ||
326 | EGIN0004152 | CEP-6331 | 63.49 | ||
327 | EGIN0004213 | 3l | 65.97 | ||
328 | EGIN0004214 | 3m | 65.97 | ||
329 | EGIN0004215 | 3n | 65.97 | ||
330 | EGIN0004216 | 3o | 65.97 | ||
331 | EGIN0004217 | 3p | 57.18 | ||
332 | EGIN0004233 | 4b | 62.73 | ||
333 | EGIN0004234 | 4n | 65.97 | ||
334 | EGIN0004322 | 15 | 64.63 | ||
335 | EGIN0004339 | 3e | 57.26 | ||
336 | EGIN0004341 | 4a | 61.84 | ||
337 | EGIN0004362 | VANDETANIB | 59.51 | ||
338 | EGIN0004365 | SB202190 | 61.8 | ||
339 | EGIN0004384 | E36 | 63.49 | ||
340 | EGIN0004418 | 8l | 61.2 | ||
341 | EGIN0004421 | 8a | 58.87 | ||
342 | EGIN0004424 | 6o | 62.83 | ||
343 | EGIN0004426 | 6m | 62.83 | ||
344 | EGIN0004429 | 6j | 62.83 | ||
345 | EGIN0004430 | 6i | 62.83 | ||
346 | EGIN0004431 | 6i | 59.07 | ||
347 | EGIN0004439 | 6e | 62.83 | ||
348 | EGIN0004441 | 6d | 62.83 | ||
349 | EGIN0004443 | 6c | 62.83 | ||
350 | EGIN0004444 | 6c | 59.07 | ||
351 | EGIN0004445 | 6b | 62.83 | ||
352 | EGIN0004447 | 6a | 62.83 | ||
353 | EGIN0004459 | 5i | 59.07 | ||
354 | EGIN0004465 | 5e | 62.71 | ||
355 | EGIN0004470 | 5c | 59.07 | ||
356 | EGIN0004501 | 42m | 64.86 | ||
357 | EGIN0004587 | 1c | 63.83 | ||
358 | EGIN0004617 | 14c | 58.97 | ||
359 | EGIN0004619 | 14b | 58.97 | ||
360 | EGIN0004631 | 11d | 65.43 | ||
361 | EGIN0004632 | 11c | 65.43 | ||
362 | EGIN0004666 | 32 | 59.51 | ||
363 | EGIN0004668 | 31 | 59.51 | ||
364 | EGIN0004670 | 30 | 59.51 | ||
365 | EGIN0004678 | 27 | 59.51 | ||
366 | EGIN0004681 | 27 | 59.07 | ||
367 | EGIN0004682 | 26 | 59.51 | ||
368 | EGIN0004684 | 26 | 59.07 | ||
369 | EGIN0004685 | 25 | 59.51 | ||
370 | EGIN0004689 | 24 | 59.51 | ||
371 | EGIN0004694 | 23 | 66.88 | ||
372 | EGIN0004701 | 22 | 62.75 | ||
373 | EGIN0004704 | 22 | 63.17 | ||
374 | EGIN0004707 | 21 | 60.47 | ||
375 | EGIN0004721 | 20 | 63.42 | ||
376 | EGIN0004733 | 18 | 59.51 | ||
377 | EGIN0004749 | 16 | 59.07 | ||
378 | EGIN0004762 | 15 | 58.64 | ||
379 | EGIN0004778 | 13 | 61.77 | ||
380 | EGIN0004791 | 12 | 64.74 | ||
381 | EGIN0004801 | 11 | 58.64 | ||
382 | EGIN0004811 | 9 | 59.81 | ||
383 | EGIN0004816 | 9 | 61.36 | ||
384 | EGIN0004825 | 8 | 62.55 | ||
385 | EGIN0004827 | 7 | 65.6 | ||
386 | EGIN0004831 | 7 | 59.51 | ||
387 | EGIN0004837 | 6 | 63.37 | ||
388 | EGIN0004838 | 6 | 61.2 | ||
389 | EGIN0004857 | 4 | 66.49 | ||
390 | EGIN0004881 | AEE788 | 60.08 | ||
391 | EGIN0004910 | 51 | 61.88 | ||
392 | EGIN0004931 | 11b | 65.5 | ||
393 | EGIN0004938 | 18a | 61.6 | ||
394 | EGIN0004945 | 24a | 58.04 | ||
395 | EGIN0004952 | 30b | 58.04 | ||
396 | EGIN0004955 | 33b | 62.75 | ||
397 | EGIN0004956 | 35b | 62.75 | ||
398 | EGIN0004964 | 9a | 65.5 | ||
399 | EGIN0004987 | 2 | 58.04 | ||
400 | EGIN0004994 | 12 | 65.96 | ||
401 | EGIN0004997 | 15 | 58.04 | ||
402 | EGIN0005007 | 5g | 59.08 | ||
403 | EGIN0005015 | 14 | 59.08 | ||
404 | EGIN0005087 | I16 | 64.99 |