HTS1610-02167033
58 61 0 0 0 0 0 0 0 0999 V2000
-0.8028 0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6681 1.7186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2663 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6645 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2046 3.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2626 3.4572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0163 0.0343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7663 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1354 1.4068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2299 0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1279 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2083 4.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5988 -0.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7701 3.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0697 0.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0661 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6970 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2372 3.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6063 2.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7008 1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2410 4.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5296 -1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6099 3.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1390 2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7081 3.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5259 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4567 -4.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9894 -4.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4603 -3.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1465 4.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 3.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6792 5.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4481 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0162 -0.5657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1973 -0.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5848 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6566 0.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8823 0.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2877 1.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0594 -1.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8989 -2.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1968 3.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7375 2.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6871 3.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2950 3.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9329 4.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9962 -3.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1565 -2.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9655 -4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2319 -5.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 -4.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3952 -4.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0909 -3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8618 -3.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9691 -3.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5480 5.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0887 4.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4937 5.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0 0 0 0
3 1 2 0 0 0 0
4 1 1 0 0 0 0
5 2 1 0 0 0 0
6 3 1 0 0 0 0
7 1 1 0 0 0 0
8 3 1 0 0 0 0
9 2 1 0 0 0 0
10 7 1 0 0 0 0
11 4 2 0 0 0 0
12 5 2 0 0 0 0
13 9 2 0 0 0 0
14 8 1 0 0 0 0
15 16 2 0 0 0 0
16 13 1 0 0 0 0
17 10 1 0 0 0 0
18 14 2 0 0 0 0
19 15 1 0 0 0 0
20 17 2 0 0 0 0
21 18 1 0 0 0 0
22 16 1 0 0 0 0
23 19 2 0 0 0 0
24 19 1 0 0 0 0
25 21 1 0 0 0 0
26 22 1 0 0 0 0
27 28 1 0 0 0 0
28 26 1 0 0 0 0
29 27 1 0 0 0 0
30 23 1 0 0 0 0
31 24 2 0 0 0 0
32 31 1 0 0 0 0
10 8 2 0 0 0 0
5 6 1 0 0 0 0
20 18 1 0 0 0 0
30 32 2 0 0 0 0
6 33 1 0 0 0 0
7 34 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
15 37 1 0 0 0 0
17 38 1 0 0 0 0
20 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
28 51 1 0 0 0 0
28 52 1 0 0 0 0
29 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
30 56 1 0 0 0 0
31 57 1 0 0 0 0
32 58 1 0 0 0 0
M END
>
HTS1610-02167033-01
>
Namiki1610
>
NS-012624653-0000
>
C25H26N4O3
>
430.508
>
0
>
2
>
4
>
-8.5555
>
-0.5769
>
0
>
-8.0543
>
3.6788
>
CCCCCC(=Cc1ccccc1)C=NN2C(Nc4c3cc(ccc3nc4C2=O)OC)=O
>
KSH2016-01675561
>
ZINC02281019
>
6882472 6882471 6882470 5600133 5123974
$$$$