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Datasets:
Metanova
/
SAVI-2020

Size:
1B<n<10B
Tags:
chemistry
cheminformatics
drug-discovery
organic-chemistry
molecular-generation
small-molecules
Dataset card Files
xet
Community
2
- commited on
Commit
91fe8f2
·
1 Parent(s): 867c30d

remove header only files

Browse files
Files changed (40) hide show
  1. savi_batch_105.csv +0 -1
  2. savi_batch_106.csv +0 -1
  3. savi_batch_107.csv +0 -1
  4. savi_batch_108.csv +0 -1
  5. savi_batch_109.csv +0 -1
  6. savi_batch_110.csv +0 -1
  7. savi_batch_127.csv +0 -1
  8. savi_batch_128.csv +0 -1
  9. savi_batch_129.csv +0 -1
  10. savi_batch_130.csv +0 -1
  11. savi_batch_131.csv +0 -1
  12. savi_batch_132.csv +0 -1
  13. savi_batch_133.csv +0 -1
  14. savi_batch_134.csv +0 -1
  15. savi_batch_143.csv +0 -1
  16. savi_batch_150.csv +0 -1
  17. savi_batch_17.csv +0 -1
  18. savi_batch_18.csv +0 -1
  19. savi_batch_19.csv +0 -1
  20. savi_batch_20.csv +0 -1
  21. savi_batch_21.csv +0 -1
  22. savi_batch_22.csv +0 -1
  23. savi_batch_23.csv +0 -1
  24. savi_batch_40.csv +0 -1
  25. savi_batch_41.csv +0 -1
  26. savi_batch_42.csv +0 -1
  27. savi_batch_43.csv +0 -1
  28. savi_batch_44.csv +0 -1
  29. savi_batch_61.csv +0 -1
  30. savi_batch_62.csv +0 -1
  31. savi_batch_63.csv +0 -1
  32. savi_batch_65.csv +0 -1
  33. savi_batch_66.csv +0 -1
  34. savi_batch_68.csv +0 -1
  35. savi_batch_81.csv +0 -1
  36. savi_batch_83.csv +0 -1
  37. savi_batch_85.csv +0 -1
  38. savi_batch_86.csv +0 -1
  39. savi_batch_87.csv +0 -1
  40. savi_batch_90.csv +0 -1
savi_batch_105.csv DELETED
@@ -1 +0,0 @@
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_106.csv DELETED
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_107.csv DELETED
@@ -1 +0,0 @@
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_108.csv DELETED
@@ -1 +0,0 @@
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_109.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_110.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_127.csv DELETED
@@ -1 +0,0 @@
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_128.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_129.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_130.csv DELETED
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_131.csv DELETED
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_132.csv DELETED
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_133.csv DELETED
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1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_134.csv DELETED
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_143.csv DELETED
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- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_150.csv DELETED
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1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_17.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_18.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_19.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_20.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_21.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_22.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_23.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_40.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_41.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_42.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_43.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_44.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_61.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_62.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_63.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_65.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_66.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_68.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_81.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_83.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_85.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_86.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_87.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number
 
 
savi_batch_90.csv DELETED
@@ -1 +0,0 @@
1
- product_name,product_hashisy,product_smiles,formula,weight,rotbonds,h_donors,h_acceptors,e_tpsa,fsp3,complexity,product_qed_score,benzenoid_index,charged_group_counts,hydrogen_bond_center_count,heavy_atoms,stereo_count,ring_system_count,e_nesssr,e_nsssr,product_aroring_count,product_aliring_count,stdinchi,stdinchikey,product_stereo_tauto_hash,ro5_violations,ro3_violations,pains_filter_match_count,pains_filter_match_name,genotoxic_alerts,xlogp2,xlogp,bw_demerit_score,bw_demerit_components,reaction_hashisy,reaction_smiles,transform_name,transform_id,lhasa_score,min_delta,lhasa_scoring_history,lhasa_reaction_conditions,lhasa_reaction_actual_conditions,lhasa_reaction_warnings,reaction_delta_ring_count,reaction_delta_aroring_count,reaction_delta_aliring_count,rinchi,rinchikey_long,rinchikey_short,rinchikey_web,r1_hashisy,r1_smiles,r1_bbsource,r1_ident,r1_inchi,r1_inchikey,r1_protection_required,r1_protected,r1_url,r2_hashisy,r2_smiles,r2_bbsource,r2_ident,r2_inchi,r2_inchikey,r2_protection_required,r2_protected,r2_url,fmt_chunkid,score_class,record_number