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RDKit 3D
25 28 0 0 0 0 0 0 0 0999 V2000
6.9545 0.2635 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6142 0.4845 -0.6721 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8045 0.9814 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3278 0.8739 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9120 -0.4807 -0.1244 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8729 -0.4151 -1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7701 0.4559 -0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -0.3268 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2428 -0.3110 0.4564 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8478 -1.5224 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0656 -2.6596 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6533 -3.8874 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9981 -4.0745 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7189 -3.0029 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1803 -1.7549 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2789 -0.3533 0.4157 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.2491 1.0577 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8116 2.3012 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0777 3.4240 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7136 3.3137 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6339 4.6967 0.2101 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1433 2.0619 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9017 0.8976 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9972 -1.3508 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0544 -0.6727 -1.3217 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
20 22 1 0
22 23 2 0
5 24 1 0
24 25 1 0
25 2 1 0
23 9 1 0
15 10 1 0
23 17 1 0
M END
> <zinc_id> (1)
ZINC000019796018
> <smiles> (1)
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
$$$$
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