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data_all.csv
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ali_chain,ali_rings,arom_rings,asphericity,atomic_depth,atomic_mass_distribution_first_quartile,atomic_mass_distribution_kurtosis,Maximum AMD,Mean AMD,atomic_mass_distribution_median,atomic_mass_distribution_minimum,atomic_mass_distribution_samples,atomic_mass_distribution_skewness,Sum of atomic mass distribution,atomic_mass_distribution_third_quartile,atomic_mass_distribution_variance,atoms,carbon_ratio,CPSA/DPSA-2,cpsa_dpsa_3,cpsa_fnsa_1,cpsa_fnsa_2,CPSA/FNSA-3,cpsa_fpsa_1,cpsa_fpsa_2,cpsa_fpsa_3,cpsa_pnsa_1,CPSA/PNSA-2,CPSA/PNSA-3,CPSA/PPSA-1,CPSA/PPSA-2,cpsa_ppsa_3,cpsa_rasa,cpsa_rncg,cpsa_rncs,CPSA/RPCG,cpsa_rpcs,cpsa_rpsa,CPSA/TASA,cpsa_tpsa,cpsa_wnsa_1,cpsa_wnsa_2,CPSA/WNSA-3,CPSA/WPSA-1,CPSA/WPSA-2,cpsa_wpsa_3,Num of tessellations with (4C),"delaunay_unweighted_('C', 'C', 'C', 'H')","delaunay_unweighted_('C', 'C', 'C', 'O')","delaunay_unweighted_('C', 'C', 'C', 'S')","delaunay_unweighted_('C', 'C', 'C', 'X')","delaunay_unweighted_('C', 'C', 'C', 'other')","Num of tessellations with (2C,2H)","delaunay_unweighted_('C', 'C', 'H', 'O')","delaunay_unweighted_('C', 'C', 'H', 'S')","delaunay_unweighted_('C', 'C', 'H', 'X')","delaunay_unweighted_('C', 'C', 'H', 'other')","delaunay_unweighted_('C', 'C', 'O', 'O')","delaunay_unweighted_('C', 'C', 'O', 'S')","delaunay_unweighted_('C', 'C', 'O', 'X')","delaunay_unweighted_('C', 'C', 'O', 'other')","delaunay_unweighted_('C', 'C', 'S', 'S')","delaunay_unweighted_('C', 'C', 'S', 'X')","delaunay_unweighted_('C', 'C', 'S', 'other')","delaunay_unweighted_('C', 'C', 'X', 'X')","delaunay_unweighted_('C', 'C', 'X', 'other')","delaunay_unweighted_('C', 'C', 'other', 'other')","delaunay_unweighted_('C', 'H', 'H', 'H')","delaunay_unweighted_('C', 'H', 'H', 'O')","delaunay_unweighted_('C', 'H', 'H', 'S')","delaunay_unweighted_('C', 'H', 'H', 'X')","delaunay_unweighted_('C', 'H', 'H', 'other')","delaunay_unweighted_('C', 'H', 'O', 'O')","delaunay_unweighted_('C', 'H', 'O', 'S')","delaunay_unweighted_('C', 'H', 'O', 'X')","delaunay_unweighted_('C', 'H', 'O', 'other')","delaunay_unweighted_('C', 'H', 'S', 'S')","delaunay_unweighted_('C', 'H', 'S', 'X')","delaunay_unweighted_('C', 'H', 'S', 'other')","delaunay_unweighted_('C', 'H', 'X', 'X')","delaunay_unweighted_('C', 'H', 'X', 'other')","delaunay_unweighted_('C', 'H', 'other', 'other')","delaunay_unweighted_('C', 'O', 'O', 'O')","delaunay_unweighted_('C', 'O', 'O', 'S')","delaunay_unweighted_('C', 'O', 'O', 'X')","delaunay_unweighted_('C', 'O', 'O', 'other')","delaunay_unweighted_('C', 'O', 'S', 'S')","delaunay_unweighted_('C', 'O', 'S', 'X')","delaunay_unweighted_('C', 'O', 'S', 'other')","delaunay_unweighted_('C', 'O', 'X', 'X')","delaunay_unweighted_('C', 'O', 'X', 'other')","delaunay_unweighted_('C', 'O', 'other', 'other')","delaunay_unweighted_('C', 'S', 'S', 'S')","delaunay_unweighted_('C', 'S', 'S', 'X')","delaunay_unweighted_('C', 'S', 'S', 'other')","delaunay_unweighted_('C', 'S', 'X', 'X')","delaunay_unweighted_('C', 'S', 'X', 'other')","delaunay_unweighted_('C', 'S', 'other', 'other')","delaunay_unweighted_('C', 'X', 'X', 'X')","delaunay_unweighted_('C', 'X', 'X', 'other')","delaunay_unweighted_('C', 'X', 'other', 'other')","delaunay_unweighted_('C', 'other', 'other', 'other')","delaunay_unweighted_('H', 'H', 'H', 'H')","delaunay_unweighted_('H', 'H', 'H', 'O')","delaunay_unweighted_('H', 'H', 'H', 'S')","delaunay_unweighted_('H', 'H', 'H', 'X')","delaunay_unweighted_('H', 'H', 'H', 'other')","delaunay_unweighted_('H', 'H', 'O', 'O')","delaunay_unweighted_('H', 'H', 'O', 'S')","delaunay_unweighted_('H', 'H', 'O', 'X')","delaunay_unweighted_('H', 'H', 'O', 'other')","delaunay_unweighted_('H', 'H', 'S', 'S')","delaunay_unweighted_('H', 'H', 'S', 'X')","delaunay_unweighted_('H', 'H', 'S', 'other')","delaunay_unweighted_('H', 'H', 'X', 'X')","delaunay_unweighted_('H', 'H', 'X', 'other')","delaunay_unweighted_('H', 'H', 'other', 'other')","delaunay_unweighted_('H', 'O', 'O', 'O')","delaunay_unweighted_('H', 'O', 'O', 'S')","delaunay_unweighted_('H', 'O', 'O', 'X')","delaunay_unweighted_('H', 'O', 'O', 'other')","delaunay_unweighted_('H', 'O', 'S', 'S')","delaunay_unweighted_('H', 'O', 'S', 'X')","delaunay_unweighted_('H', 'O', 'S', 'other')","delaunay_unweighted_('H', 'O', 'X', 'X')","delaunay_unweighted_('H', 'O', 'X', 'other')","delaunay_unweighted_('H', 'O', 'other', 'other')","delaunay_unweighted_('H', 'S', 'S', 'S')","delaunay_unweighted_('H', 'S', 'S', 'X')","delaunay_unweighted_('H', 'S', 'S', 'other')","delaunay_unweighted_('H', 'S', 'X', 'X')","delaunay_unweighted_('H', 'S', 'X', 'other')","delaunay_unweighted_('H', 'S', 'other', 'other')","delaunay_unweighted_('H', 'X', 'X', 'X')","delaunay_unweighted_('H', 'X', 'X', 'other')","delaunay_unweighted_('H', 'X', 'other', 'other')","delaunay_unweighted_('H', 'other', 'other', 'other')","delaunay_unweighted_('O', 'O', 'O', 'O')","delaunay_unweighted_('O', 'O', 'O', 'S')","delaunay_unweighted_('O', 'O', 'O', 'X')","delaunay_unweighted_('O', 'O', 'O', 'other')","delaunay_unweighted_('O', 'O', 'S', 'S')","delaunay_unweighted_('O', 'O', 'S', 'X')","delaunay_unweighted_('O', 'O', 'S', 'other')","delaunay_unweighted_('O', 'O', 'X', 'X')","delaunay_unweighted_('O', 'O', 'X', 'other')","delaunay_unweighted_('O', 'O', 'other', 'other')","delaunay_unweighted_('O', 'S', 'S', 'S')","delaunay_unweighted_('O', 'S', 'S', 'X')","delaunay_unweighted_('O', 'S', 'S', 'other')","delaunay_unweighted_('O', 'S', 'X', 'X')","delaunay_unweighted_('O', 'S', 'X', 'other')","delaunay_unweighted_('O', 'S', 'other', 'other')","delaunay_unweighted_('O', 'X', 'X', 'X')","delaunay_unweighted_('O', 'X', 'X', 'other')","delaunay_unweighted_('O', 'X', 'other', 'other')","delaunay_unweighted_('O', 'other', 'other', 'other')","delaunay_unweighted_('S', 'S', 'S', 'S')","delaunay_unweighted_('S', 'S', 'S', 'X')","delaunay_unweighted_('S', 'S', 'S', 'other')","delaunay_unweighted_('S', 'S', 'X', 'X')","delaunay_unweighted_('S', 'S', 'X', 'other')","delaunay_unweighted_('S', 'S', 'other', 'other')","delaunay_unweighted_('S', 'X', 'X', 'X')","delaunay_unweighted_('S', 'X', 'X', 'other')","delaunay_unweighted_('S', 'X', 'other', 'other')","delaunay_unweighted_('S', 'other', 'other', 'other')","delaunay_unweighted_('X', 'X', 'X', 'X')","delaunay_unweighted_('X', 'X', 'X', 'other')","delaunay_unweighted_('X', 'X', 'other', 'other')","delaunay_unweighted_('X', 'other', 'other', 'other')","delaunay_unweighted_('other', 'other', 'other', 'other')",eccentricity,Exact Mass,five_mr,four_mr,frac_csp3,h_c_ratio,hb_acceptors,hb_donors,het_rings,hetarom_rings,hydroxy_count,log_p,Mass,mr:,nh_oh_count,num_methyl,num_oxygen_atoms,num_rot_bonds,oh_count,organic_ratio_core,organic_ratio_extended,oxygen_dbond,oxygen_ratio,phenol_count,radius_of_gyration,ring_oxygen,ring_oxygen_aromatic,rings,sat_rings,six_mr,vsa_charges_1,vsa_charges_2,vsa_charges_3,vsa_charges_4,vsa_charges_5,vsa_charges_6,vsa_charges_7,VSA Charge 8,vsa_charges_9,vsa_charges_10,vsa_charges_11,vsa_charges_12,vsa_charges_13,vsa_charges_14,VSA/Log P 1,vsa_logP_2,vsa_logP_3,vsa_logP_4,vsa_logP_5,vsa_logP_6,vsa_logP_7,vsa_logP_8,vsa_logP_9,vsa_logP_10,VSA/Log P 11,vsa_logP_12,vsa_mr_1,vsa_mr_2,vsa_mr_3,vsa_mr_4,vsa_mr_5,vsa_mr_6,vsa_mr_7,vsa_mr_8,whim_electronegativity_A,whim_electronegativity_D,whim_electronegativity_K,whim_electronegativity_T,whim_electronegativity_V,whim_electronegativity_ax_density1,whim_electronegativity_ax_density2,whim_electronegativity_ax_density3,whim_electronegativity_axis1,whim_electronegativity_axis2,whim_electronegativity_axis3,whim_electronegativity_rel_axis1,whim_electronegativity_rel_axis2,whim_electronegativity_rel_axis3,WHIM mass-A,whim_mass_D,whim_mass_K,whim_mass_T,whim_mass_V,whim_mass_ax_density1,whim_mass_ax_density2,whim_mass_ax_density3,whim_mass_axis1,whim_mass_axis2,whim_mass_axis3,whim_mass_rel_axis1,whim_mass_rel_axis2,whim_mass_rel_axis3,whim_polarizability_A,whim_polarizability_D,whim_polarizability_K,whim_polarizability_T,whim_polarizability_V,whim_polarizability_ax_density1,whim_polarizability_ax_density2,whim_polarizability_ax_density3,whim_polarizability_axis1,whim_polarizability_axis2,whim_polarizability_axis3,whim_polarizability_rel_axis1,whim_polarizability_rel_axis2,whim_polarizability_rel_axis3,whim_unweighted_A,whim_unweighted_D,whim_unweighted_K,whim_unweighted_T,whim_unweighted_V,whim_unweighted_ax_density1,whim_unweighted_ax_density2,whim_unweighted_ax_density3,whim_unweighted_axis1,whim_unweighted_axis2,whim_unweighted_axis3,whim_unweighted_rel_axis1,whim_unweighted_rel_axis2,whim_unweighted_rel_axis3,whim_vvdw_A,whim_vvdw_D,whim_vvdw_K,whim_vvdw_T,whim_vvdw_V,whim_vvdw_ax_density1,whim_vvdw_ax_density2,whim_vvdw_ax_density3,whim_vvdw_axis1,whim_vvdw_axis2,whim_vvdw_axis3,whim_vvdw_rel_axis1,whim_vvdw_rel_axis2,whim_vvdw_rel_axis3,centerC,SASA,sasa_carbons,num_carbon,letters,T,disassoc,assoc
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