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|
310928901
-OEChem-07211613022D
9 9 0 0 0 0 0 0 0999 V2000
1.3673 -0.2100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3673 0.0675 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.6529 1.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6529 0.4800 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
0.9548 -0.9245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0616 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1479 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8153 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4652 -1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 8 1 0 0 0 0
2 4 1 0 0 0 0
3 4 2 0 0 0 0
4 6 1 0 0 0 0
5 7 2 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
M CHG 2 2 -1 4 1
M END
> <PUBCHEM_COMPOUND_ID_TYPE>
0
> <PUBCHEM_TOTAL_CHARGE>
0
> <PUBCHEM_SUBSTANCE_ID>
310928901
> <PUBCHEM_SUBSTANCE_VERSION>
1
> <PUBCHEM_EXT_DATASOURCE_NAME>
11752
> <PUBCHEM_EXT_DATASOURCE_REGID>
BD233904
> <PUBCHEM_SUBSTANCE_SYNONYM>
1073-18-3
3-Methyl-4-nitroisothiazole
> <PUBCHEM_GENERIC_REGISTRY_NAME>
1073-18-3
> <PUBCHEM_XREF_EXT_ID>
BD233904
> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.bidepharmatech.com/en/index.html
> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bidepharmatech.com/en/goodsview_goodscode_BD233904.html
> <PUBCHEM_CID_ASSOCIATIONS>
23261603 1
> <PUBCHEM_COORDINATE_TYPE>
1
3
> <EXPECTED>
[]
> <GOT>
['atom_check_failed']
$$$$
|
