KSH2016-03149157
72 75 0 0 0 0 0 0 0 0999 V2000
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-2.5262 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3949 3.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3975 5.4105 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0
1.3930 5.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8658 6.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 4.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3563 4.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.9761 6.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0281 6.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3977 4.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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25 52 1 0 0 0 0
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37 72 1 0 0 0 0
M END
>
KSH2016-03149157-01
>
Kishida2016
>
KS131-3534128
>
ChemDiv
>
V027-3460
>
C29H35N4O2SCl
>
539.143
>
0
>
1
>
3
>
-8.7194
>
-0.4380
>
1
>
-8.3527
>
6.0845
>
CCCNC(CN3C(CSC(c4c(C(C)(C)C)nn(c43)c2cccc(c2C)C)c1cccc(c1)[Cl])=O)=O
$$$$