HTS1610-02247255
47 51 0 0 0 0 0 0 0 0999 V2000
5.2138 -1.6547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7138 -1.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9054 -2.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3321 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3321 -2.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9054 -0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5954 -0.4413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5954 -2.8684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 -3.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7956 -4.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0220 -2.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0220 -0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3216 -2.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3211 -3.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7956 0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 -0.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0098 -1.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7920 -5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9773 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4821 -1.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0921 -2.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3211 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8487 -4.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6202 -2.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2554 -6.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6202 -0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2518 -7.9509 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.2629 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9191 -3.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7263 -6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7227 -7.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2182 -2.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9078 -3.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3211 -3.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2051 -5.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0400 -4.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7821 -0.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6790 -2.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3211 0.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3633 -5.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1398 -0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6644 -4.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3132 -6.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9082 -7.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0130 -1.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7378 -2.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6039 -2.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 5 1 0 0 0 0
4 1 1 0 0 0 0
5 1 1 0 0 0 0
6 4 1 0 0 0 0
7 2 2 0 0 0 0
8 2 1 0 0 0 0
9 3 2 0 0 0 0
10 5 1 0 0 0 0
11 8 1 0 0 0 0
12 7 1 0 0 0 0
13 9 1 0 0 0 0
14 11 1 0 0 0 0
15 4 2 0 0 0 0
16 6 2 0 0 0 0
17 13 1 0 0 0 0
18 10 1 0 0 0 0
19 13 2 0 0 0 0
20 17 1 0 0 0 0
21 19 1 0 0 0 0
22 12 1 0 0 0 0
23 9 1 0 0 0 0
24 14 2 0 0 0 0
25 18 2 0 0 0 0
26 22 2 0 0 0 0
27 25 1 0 0 0 0
28 10 2 0 0 0 0
29 24 1 0 0 0 0
30 28 1 0 0 0 0
31 30 2 0 0 0 0
32 29 1 0 0 0 0
3 6 1 0 0 0 0
11 12 2 0 0 0 0
31 25 1 0 0 0 0
26 24 1 0 0 0 0
20 21 2 0 0 0 0
5 33 1 0 0 0 0
14 34 1 0 0 0 0
18 35 1 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
26 41 1 0 0 0 0
28 42 1 0 0 0 0
30 43 1 0 0 0 0
31 44 1 0 0 0 0
32 45 1 0 0 0 0
32 46 1 0 0 0 0
32 47 1 0 0 0 0
M END
>
HTS1610-02247255-01
>
Namiki1610
>
NS-012683739-0000
>
C23H15N2O5FS
>
450.445
>
0
>
1
>
6
>
-8.5489
>
-1.1666
>
1
>
-6.6982
>
2.4273
>
COc3ccc4nc(N5C(C(C(C5c2cccc(c2)F)=C(c1occc1)O)=O)=O)sc4c3
>
HTS1610-02247256 KSH2016-02214580
>
ZINC08973448
$$$$