BIIB-015
     RDKit          2D

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M  END
>  <s_m_entry_id>  (1) 
99

>  <s_m_entry_name>  (1) 
ravtansine_SPDB-DM4.1

>  <PUBCHEM_TOTAL_CHARGE>  (1) 
0

>  <PUBCHEM_COORDINATE_TYPE>  (1) 
1
3

>  <PUBCHEM_BONDANNOTATIONS>  (1) 
42  11  6
12  18  5
19  32  6
22  38  6
24  34  6
26  35  6
39  57  5
40  58  6

>  <s_m_Source_Path>  (1) 
D:\Project\ADC\linker_payload

>  <s_m_Source_File>  (1) 
ravtansine_SPDB-DM4.sdf

>  <i_m_Source_File_Index>  (1) 
1

>  <i_lp_mmshare_version>  (1) 
61128

>  <i_f3d_flags>  (1) 
0

>  <r_lp_tautomer_probability>  (1) 
1

>  <s_lp_Force_Field>  (1) 
S-OPLS

>  <r_lp_Energy>  (1) 
34.487902

>  <b_lp_Chiralities_Consistent>  (1) 
1

>  <s_lp_Variant>  (1) 
Indatuximab ravtansine-1

>  <s_m_job_name>  (1) 
ligprep_13

>  <PUBCHEM_COMPOUND_ID_TYPE>  (1) 
0

>  <PUBCHEM_SUBSTANCE_ID>  (1) 
223370377

>  <PUBCHEM_SUBSTANCE_VERSION>  (1) 
5

>  <PUBCHEM_EXT_DATASOURCE_NAME>  (1) 
ChemIDplus

>  <PUBCHEM_EXT_DATASOURCE_REGID>  (1) 
1238517162

>  <PUBCHEM_SUBSTANCE_COMMENT>  (1) 
XGL4M23834
1238517162

>  <PUBCHEM_SUBSTANCE_SYNONYM>  (1) 
Indatuximab ravtansine [INN]
XGL4M23834
1238517-16-2
UNII-XGL4M23834
Indatuximab ravtansine

>  <PUBCHEM_GENERIC_REGISTRY_NAME>  (1) 
1238517-16-2

>  <PUBCHEM_XREF_EXT_ID>  (1) 
1238517162

>  <PUBCHEM_EXT_DATASOURCE_URL>  (1) 
https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus

>  <PUBCHEM_EXT_SUBSTANCE_URL>  (1) 
https://pubchem.ncbi.nlm.nih.gov/substance/?source=ChemIDplus&sourceid=1238517162

$$$$
