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RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
-4.6362 -1.2153 0.8099 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6740 -0.3655 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9599 -0.7470 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6385 -0.3301 -1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1800 0.6916 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 0.8581 0.1472 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1441 0.7825 -0.6632 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3592 0.0741 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2941 0.5038 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3283 -0.3731 0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3703 -1.6497 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2981 -2.1239 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4922 -1.1581 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1813 1.4508 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8278 2.7352 0.9261 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3729 0.8666 0.6765 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
5 14 1 0
14 15 1 0
14 16 2 0
16 2 1 0
13 8 1 0
M END
> <zinc_id> (1)
ZINC000095483532
> <smiles> (1)
Nc1ccc(/N=N/c2ccccc2)c(N)n1
$$$$
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