commit savi_batch_22.csv

savi_batch_22.csv

@@ -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