KSH2016-01810664
44 47 0 0 0 0 0 0 0 0999 V2000
3.9534 -1.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6573 0.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2494 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6573 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2494 0.9918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9534 1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3613 1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5568 -0.8273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0939 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9534 -2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3067 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3222 0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5455 -1.2593 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3613 -1.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9534 3.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2494 -3.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 -2.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5455 -2.7523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-3.7851 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6497 -3.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2418 -5.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6487 -2.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2317 3.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2549 2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6497 -4.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9457 -5.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7687 1.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3613 2.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3557 -0.8986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5810 -2.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 -2.8051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1783 0.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3572 3.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1336 -3.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7550 -5.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6863 -2.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2449 -2.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8181 -1.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4105 3.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8405 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1304 -5.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9457 -6.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0 0 0 0
3 1 1 0 0 0 0
4 1 1 0 0 0 0
5 3 1 0 0 0 0
6 2 1 0 0 0 0
7 8 1 0 0 0 0
8 2 2 0 0 0 0
9 10 1 0 0 0 0
10 7 2 0 0 0 0
11 1 1 0 0 0 0
12 7 1 0 0 0 0
13 12 2 0 0 0 0
14 3 2 0 0 0 0
15 4 2 0 0 0 0
16 6 2 0 0 0 0
17 11 1 0 0 0 0
18 9 1 0 0 0 0
19 17 1 0 0 0 0
20 13 1 0 0 0 0
21 12 1 0 0 0 0
22 11 2 0 0 0 0
23 17 2 0 0 0 0
24 18 1 0 0 0 0
25 21 2 0 0 0 0
26 25 1 0 0 0 0
27 22 1 0 0 0 0
28 27 2 0 0 0 0
6 5 1 0 0 0 0
23 28 1 0 0 0 0
9 13 1 0 0 0 0
20 26 2 0 0 0 0
5 29 1 0 0 0 0
8 30 1 0 0 0 0
10 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
28 44 1 0 0 0 0
M END
>
KSH2016-01810664-01
>
Kishida2016
>
KS122-2005161
>
IBS
>
STOCK2S-39273
>
C21H16N3O2FS
>
393.441
>
0
>
1
>
2
>
-8.4851
>
-1.5937
>
0
>
-8.6955
>
4.0093
>
VitasMLab
>
STK197601
>
CCn2cc(c4ccccc42)C=C3C(NC(N(c1ccccc1F)C3=O)=S)=O
>
HTS1610-03776032 KSH2016-00598268
>
ZINC02278963
>
4221662 1903358 1903357
$$$$