KSH2016-00206623
45 48 0 0 0 0 0 0 0 0999 V2000
1.2692 0.3742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.8107 1.7995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4459 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9456 2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3961 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2711 3.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7130 2.9747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7695 0.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6943 3.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2705 0.6827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1811 0.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4859 -1.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7964 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1371 3.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8107 4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5947 -0.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4447 1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7702 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0950 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9450 1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 1.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0467 0.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 4.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2433 0.3525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0602 3.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1557 3.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1521 2.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5980 0.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5844 4.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3186 4.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3223 -1.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1127 2.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4240 -1.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2120 2.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 0.9078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4571 1.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5490 0.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8108 0.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 5.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7349 1.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7349 4.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
4 11 1 0 0 0 0
5 2 1 0 0 0 0
6 3 1 0 0 0 0
7 3 2 0 0 0 0
8 7 1 0 0 0 0
9 1 1 0 0 0 0
10 2 1 0 0 0 0
11 20 1 0 0 0 0
12 1 2 0 0 0 0
13 1 2 0 0 0 0
14 6 2 0 0 0 0
15 5 2 0 0 0 0
16 4 2 0 0 0 0
17 10 1 0 0 0 0
18 9 1 0 0 0 0
19 9 2 0 0 0 0
20 22 2 0 0 0 0
21 18 2 0 0 0 0
22 19 1 0 0 0 0
23 5 1 0 0 0 0
24 14 1 0 0 0 0
25 15 1 0 0 0 0
26 23 2 0 0 0 0
27 26 1 0 0 0 0
20 21 1 0 0 0 0
17 15 1 0 0 0 0
27 25 2 0 0 0 0
8 14 1 0 0 0 0
6 28 1 0 0 0 0
7 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
19 36 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
27 45 1 0 0 0 0
M END
>
KSH2016-00206623-01
>
Kishida2016
>
KS122-0227530
>
ChemBridge
>
7946317
>
C20H18N2O3S2
>
398.505
>
0
>
1
>
3
>
-8.5900
>
-1.2195
>
0
>
-6.0005
>
3.2197
>
VitasMLab
>
STK464727
>
Cc1scc(C(Nc2ccc(S(N4CCc3ccccc43)(=O)=O)cc2)=O)c1
>
HTS1610-02641998
>
ZINC02872636
>
2225267
$$$$