List of molecular descriptors calculated by DragonID Name Description Block1 MW molecular weight Constitutional indices2 AMW average molecular weight Constitutional indices3 Sv sum of atomic van der Waals volumes (scaled on Carbon atom) Constitutional indices4 Se sum of atomic Sanderson electronegativities (scaled on Carbon atom) Constitutional indices5 Sp sum of atomic polarizabilities (scaled on Carbon atom) Constitutional indices6 Si sum of first ionization potentials (scaled on Carbon atom) Constitutional indices7 Mv mean atomic van der Waals volume (scaled on Carbon atom) Constitutional indices8 Me mean atomic Sanderson electronegativity (scaled on Carbon atom) Constitutional indices9 Mp mean atomic polarizability (scaled on Carbon atom) Constitutional indices10 Mi mean first ionization potential (scaled on Carbon atom) Constitutional indices11 nAT number of atoms Constitutional indices12 nSK number of non-H atoms Constitutional indices13 nBT number of bonds Constitutional indices14 nBO number of non-H bonds Constitutional indices15 nBM number of multiple bonds Constitutional indices16 SCBO sum of conventional bond orders (H-depleted) Constitutional indices17 RBN number of rotatable bonds Constitutional indices18 RBF rotatable bond fraction Constitutional indices19 nDB number of double bonds Constitutional indices20 nTB number of triple bonds Constitutional indices21 nAB number of aromatic bonds Constitutional indices22 nH number of Hydrogen atoms Constitutional indices23 nC number of Carbon atoms Constitutional indices24 nN number of Nitrogen atoms Constitutional indices25 nO number of Oxygen atoms Constitutional indices26 nP number of Phosphorous atoms Constitutional indices27 nS number of Sulfur atoms Constitutional indices28 nF number of Fluorine atoms Constitutional indices29 nCL number of Chlorine atoms Constitutional indices30 nBR number of Bromine atoms Constitutional indices31 nI number of Iodine atoms Constitutional indices32 nB number of Boron atoms Constitutional indices33 nHM number of heavy atoms Constitutional indices34 nHet number of heteroatoms Constitutional indices35 nX number of halogen atoms Constitutional indices36 H% percentage of H atoms Constitutional indices37 C% percentage of C atoms Constitutional indices38 N% percentage of N atoms Constitutional indices39 O% percentage of O atoms Constitutional indices40 X% percentage of halogen atoms Constitutional indices41 nCsp3 number of sp3 hybridized Carbon atoms Constitutional indices42 nCsp2 number of sp2 hybridized Carbon atoms Constitutional indices43 nCsp number of sp hybridized Carbon atoms Constitutional indices44 nCIC number of rings (cyclomatic number) Ring descriptors45 nCIR number of circuits Ring descriptors46 TRS total ring size Ring descriptors47 Rperim ring perimeter Ring descriptors48 Rbrid ring bridge count Ring descriptors49 MCD molecular cyclized degree Ring descriptors50 RFD ring fusion density Ring descriptors51 RCI ring complexity index Ring descriptors52 NRS number of ring systems Ring descriptors53 NNRS normalized number of ring systems Ring descriptors54 nR03 number of 3-membered rings Ring descriptors55 nR04 number of 4-membered rings Ring descriptors56 nR05 number of 5-membered rings Ring descriptors57 nR06 number of 6-membered rings Ring descriptors58 nR07 number of 7-membered rings Ring descriptors59 nR08 number of 8-membered rings Ring descriptors60 nR09 number of 9-membered rings Ring descriptors61 nR10 number of 10-membered rings Ring descriptors62 nR11 number of 11-membered rings Ring descriptors63 nR12 number of 12-membered rings Ring descriptors64 nBnz number of benzene-like rings Ring descriptors65 ARR aromatic ratio Ring descriptors66 D/Dtr03 distance/detour ring index of order 3 Ring descriptors67 D/Dtr04 distance/detour ring index of order 4 Ring descriptors68 D/Dtr05 distance/detour ring index of order 5 Ring descriptors69 D/Dtr06 distance/detour ring index of order 6 Ring descriptors70 D/Dtr07 distance/detour ring index of order 7 Ring descriptors71 D/Dtr08 distance/detour ring index of order 8 Ring descriptors72 D/Dtr09 distance/detour ring index of order 9 Ring descriptors73 D/Dtr10 distance/detour ring index of order 10 Ring descriptors74 D/Dtr11 distance/detour ring index of order 11 Ring descriptors75 D/Dtr12 distance/detour ring index of order 12 Ring descriptors76 ZM1 first Zagreb index Topological indices77 ZM1V first Zagreb index by valence vertex degrees Topological indices78 ZM1Kup first Zagreb index by Kupchik vertex degrees Topological indices79 ZM1Mad first Zagreb index by Madan vertex degrees Topological indices80 ZM1Per first Zagreb index by perturbation vertex degrees Topological indices81 ZM1MulPer first Zagreb index by multiplicative perturbation vertex degrees Topological indices82 ZM2 second Zagreb index Topological indices83 ZM2V second Zagreb index by valence vertex degrees Topological indices84 ZM2Kup second Zagreb index by Kupchik vertex degrees Topological indices85 ZM2Mad second Zagreb index by Madan vertex degrees Topological indices86 ZM2Per second Zagreb index by perturbation vertex degrees Topological indices87 ZM2MulPer second Zagreb index by multiplicative perturbation vertex degrees Topological indices88 ON0 overall modified Zagreb index of order 0 Topological indices89 ON0V overall modified Zagreb index of order 0 by valence vertex degrees Topological indices90 ON1 overall modified Zagreb index of order 1 Topological indices91 ON1V overall modified Zagreb index of order 1 by valence vertex degrees Topological indices92 Qindex quadratic index Topological indices

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93 BBI Bertz branching index Topological indices94 DBI Dragon branching index Topological indices95 SNar Narumi simple topological index (log function) Topological indices96 HNar Narumi harmonic topological index Topological indices97 GNar Narumi geometric topological index Topological indices98 Xt total structure connectivity index Topological indices99 Dz Pogliani index Topological indices100 Ram ramification index Topological indices101 BLI Kier benzene-likeliness index Topological indices102 Pol polarity number Topological indices103 LPRS log of product of row sums (PRS) Topological indices104 MSD mean square distance index (Balaban) Topological indices105 SPI superpendentic index Topological indices106 PJI2 2D Petitjean shape index Topological indices107 ECC eccentricity Topological indices108 AECC average eccentricity Topological indices109 DECC eccentric Topological indices110 MDDD mean distance degree deviation Topological indices111 UNIP unipolarity Topological indices112 CENT centralization Topological indices113 VAR variation Topological indices114 ICR radial centric information index Topological indices115 SMTI Schultz Molecular Topological Index (MTI) Topological indices116 SMTIV Schultz Molecular Topological Index by valence vertex degrees Topological indices117 GMTI Gutman Molecular Topological Index Topological indices118 GMTIV Gutman Molecular Topological Index by valence vertex degrees Topological indices119 Xu Xu index Topological indices120 CSI eccentric connectivity index Topological indices121 Wap all-path Wiener index Topological indices122 S1K 1-path Kier alpha-modified shape index Topological indices123 S2K 2-path Kier alpha-modified shape index Topological indices124 S3K 3-path Kier alpha-modified shape index Topological indices125 PHI Kier flexibility index Topological indices126 PW2 path/walk 2 - Randic shape index Topological indices127 PW3 path/walk 3 - Randic shape index Topological indices128 PW4 path/walk 4 - Randic shape index Topological indices129 PW5 path/walk 5 - Randic shape index Topological indices130 MAXDN maximal electrotopological negative variation Topological indices131 MAXDP maximal electrotopological positive variation Topological indices132 DELS molecular electrotopological variation Topological indices133 TIE E-state topological parameter Topological indices134 Psi_i_s intrinsic state pseudoconnectivity index - type S Topological indices135 Psi_i_A intrinsic state pseudoconnectivity index - type S average Topological indices136 Psi_i_0 intrinsic state pseudoconnectivity index - type 0 Topological indices137 Psi_i_1 intrinsic state pseudoconnectivity index - type 1 Topological indices138 Psi_i_t intrinsic state pseudoconnectivity index - type T Topological indices139 Psi_i_0d intrinsic state pseudoconnectivity index - type 0d Topological indices140 Psi_i_1d intrinsic state pseudoconnectivity index - type 1d Topological indices141 Psi_i_1s intrinsic state pseudoconnectivity index - type 1s Topological indices142 Psi_e_A electrotopological state pseudoconnectivity index - type S average Topological indices143 Psi_e_0 electrotopological state pseudoconnectivity index - type 0 Topological indices144 Psi_e_1 electrotopological state pseudoconnectivity index - type 1 Topological indices145 Psi_e_t electrotopological state pseudoconnectivity index - type T Topological indices146 Psi_e_0d electrotopological state pseudoconnectivity index - type 0d Topological indices147 Psi_e_1d electrotopological state pseudoconnectivity index - type 1d Topological indices148 Psi_e_1s electrotopological state pseudoconnectivity index - type 1s Topological indices149 BAC Balaban centric index Topological indices150 LOC lopping centric index Topological indices151 MWC01 molecular walk count of order 1 Walk and path counts152 MWC02 molecular walk count of order 2 Walk and path counts153 MWC03 molecular walk count of order 3 Walk and path counts154 MWC04 molecular walk count of order 4 Walk and path counts155 MWC05 molecular walk count of order 5 Walk and path counts156 MWC06 molecular walk count of order 6 Walk and path counts157 MWC07 molecular walk count of order 7 Walk and path counts158 MWC08 molecular walk count of order 8 Walk and path counts159 MWC09 molecular walk count of order 9 Walk and path counts160 MWC10 molecular walk count of order 10 Walk and path counts161 SRW02 self-returning walk count of order 2 Walk and path counts162 SRW03 self-returning walk count of order 3 Walk and path counts163 SRW04 self-returning walk count of order 4 Walk and path counts164 SRW05 self-returning walk count of order 5 Walk and path counts165 SRW06 self-returning walk count of order 6 Walk and path counts166 SRW07 self-returning walk count of order 7 Walk and path counts167 SRW08 self-returning walk count of order 8 Walk and path counts168 SRW09 self-returning walk count of order 9 Walk and path counts169 SRW10 self-returning walk count of order 10 Walk and path counts170 MPC01 molecular path count of order 1 (no. of non-H bonds) Walk and path counts171 MPC02 molecular path count of order 2 (Gordon-Scantlebury index) Walk and path counts172 MPC03 molecular path count of order 3 Walk and path counts173 MPC04 molecular path count of order 4 Walk and path counts174 MPC05 molecular path count of order 5 Walk and path counts175 MPC06 molecular path count of order 6 Walk and path counts176 MPC07 molecular path count of order 7 Walk and path counts177 MPC08 molecular path count of order 8 Walk and path counts178 MPC09 molecular path count of order 9 Walk and path counts179 MPC10 molecular path count of order 10 Walk and path counts180 piPC01 molecular multiple path count of order 1 Walk and path counts181 piPC02 molecular multiple path count of order 2 Walk and path counts182 piPC03 molecular multiple path count of order 3 Walk and path counts183 piPC04 molecular multiple path count of order 4 Walk and path counts184 piPC05 molecular multiple path count of order 5 Walk and path counts185 piPC06 molecular multiple path count of order 6 Walk and path counts186 piPC07 molecular multiple path count of order 7 Walk and path counts187 piPC08 molecular multiple path count of order 8 Walk and path counts188 piPC09 molecular multiple path count of order 9 Walk and path counts

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189 piPC10 molecular multiple path count of order 10 Walk and path counts190 TWC total walk count Walk and path counts191 TPC total path count Walk and path counts192 piID conventional bond order ID number Walk and path counts193 PCR ratio of multiple path count over path coun Walk and path counts194 PCD difference between multiple path count and path count Walk and path counts195 CID Randic ID number Walk and path counts196 BID Balaban ID number Walk and path counts197 X0 connectivity index of order 0 Connectivity indices198 X1 connectivity index of order 1 (Randic connectivity index) Connectivity indices199 X2 connectivity index of order 2 Connectivity indices200 X3 connectivity index of order 3 Connectivity indices201 X4 connectivity index of order 4 Connectivity indices202 X5 connectivity index of order 5 Connectivity indices203 X0A average connectivity index of order 0 Connectivity indices204 X1A average connectivity index of order 1 Connectivity indices205 X2A average connectivity index of order 2 Connectivity indices206 X3A average connectivity index of order 3 Connectivity indices207 X4A average connectivity index of order 4 Connectivity indices208 X5A average connectivity index of order 5 Connectivity indices209 X0v valence connectivity index of order 0 Connectivity indices210 X1v valence connectivity index of order 1 Connectivity indices211 X2v valence connectivity index of order 2 Connectivity indices212 X3v valence connectivity index of order 3 Connectivity indices213 X4v valence connectivity index of order 4 Connectivity indices214 X5v valence connectivity index of order 5 Connectivity indices215 X0Av average valence connectivity index of order 0 Connectivity indices216 X1Av average valence connectivity index of order 1 Connectivity indices217 X2Av average valence connectivity index of order 2 Connectivity indices218 X3Av average valence connectivity index of order 3 Connectivity indices219 X4Av average valence connectivity index of order 4 Connectivity indices220 X5Av average valence connectivity index of order 5 Connectivity indices221 X0sol solvation connectivity index of order 0 Connectivity indices222 X1sol solvation connectivity index of order 1 Connectivity indices223 X2sol solvation connectivity index of order 2 Connectivity indices224 X3sol solvation connectivity index of order 3 Connectivity indices225 X4sol solvation connectivity index of order 4 Connectivity indices226 X5sol solvation connectivity index of order 5 Connectivity indices227 XMOD modified Randic index Connectivity indices228 RDCHI reciprocal distance sum Randic-like index Connectivity indices229 RDSQ reciprocal distance sum inverse Randic-like index Connectivity indices230 X1Kup Kupchik connectivity index Connectivity indices231 X1Mad connectivity topochemical index Connectivity indices232 X1Per perturbation connectivity index Connectivity indices233 X1MulPer multiplicative perturbation connectivity index Connectivity indices234 ISIZ information index on molecular size Information indices235 IAC total information index on atomic composition Information indices236 AAC mean information index on atomic composition Information indices237 IDE mean information content on the distance equality Information indices238 IDM mean information content on the distance magnitude Information indices239 IDDE mean information content on the distance degree equality Information indices240 IDDM mean information content on the distance degree magnitude Information indices241 IDET total information content on the distance equality Information indices242 IDMT total information content on the distance magnitude Information indices243 IVDE mean information content on the vertex degree equality Information indices244 IVDM mean information content on the vertex degree magnitude Information indices245 S0K Kier symmetry index Information indices246 HVcpx graph vertex complexity index Information indices247 HDcpx graph distance complexity index (log function) Information indices248 Uindex Balaban U index Information indices249 Vindex Balaban V index Information indices250 Xindex Balaban X index Information indices251 Yindex Balaban Y index Information indices252 IC0 Information Content index (neighborhood symmetry of 0-order) Information indices253 IC1 Information Content index (neighborhood symmetry of 1-order) Information indices254 IC2 Information Content index (neighborhood symmetry of 2-order) Information indices255 IC3 Information Content index (neighborhood symmetry of 3-order) Information indices256 IC4 Information Content index (neighborhood symmetry of 4-order) Information indices257 IC5 Information Content index (neighborhood symmetry of 5-order) Information indices258 TIC0 Total Information Content index (neighborhood symmetry of 0-order) Information indices259 TIC1 Total Information Content index (neighborhood symmetry of 1-order) Information indices260 TIC2 Total Information Content index (neighborhood symmetry of 2-order) Information indices261 TIC3 Total Information Content index (neighborhood symmetry of 3-order) Information indices262 TIC4 Total Information Content index (neighborhood symmetry of 4-order) Information indices263 TIC5 Total Information Content index (neighborhood symmetry of 5-order) Information indices264 SIC0 Structural Information Content index (neighborhood symmetry of 0-order) Information indices265 SIC1 Structural Information Content index (neighborhood symmetry of 1-order) Information indices266 SIC2 Structural Information Content index (neighborhood symmetry of 2-order) Information indices267 SIC3 Structural Information Content index (neighborhood symmetry of 3-order) Information indices268 SIC4 Structural Information Content index (neighborhood symmetry of 4-order) Information indices269 SIC5 Structural Information Content index (neighborhood symmetry of 5-order) Information indices270 CIC0 Complementary Information Content index (neighborhood symmetry of 0-order) Information indices271 CIC1 Complementary Information Content index (neighborhood symmetry of 1-order) Information indices272 CIC2 Complementary Information Content index (neighborhood symmetry of 2-order) Information indices273 CIC3 Complementary Information Content index (neighborhood symmetry of 3-order) Information indices274 CIC4 Complementary Information Content index (neighborhood symmetry of 4-order) Information indices275 CIC5 Complementary Information Content index (neighborhood symmetry of 5-order) Information indices276 BIC0 Bond Information Content index (neighborhood symmetry of 0-order) Information indices277 BIC1 Bond Information Content index (neighborhood symmetry of 1-order) Information indices278 BIC2 Bond Information Content index (neighborhood symmetry of 2-order) Information indices279 BIC3 Bond Information Content index (neighborhood symmetry of 3-order) Information indices280 BIC4 Bond Information Content index (neighborhood symmetry of 4-order) Information indices281 BIC5 Bond Information Content index (neighborhood symmetry of 5-order) Information indices282 J_A Balaban-like index from adjacency matrix 2D matrix-based descriptors283 SpPos_A spectral positive sum from adjacency matrix 2D matrix-based descriptors284 SpPosA_A normalized spectral positive sum from adjacency matrix 2D matrix-based descriptors

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285 SpPosLog_A logarithmic spectral positive sum from adjacency matrix 2D matrix-based descriptors286 SpMax_A leading eigenvalue from adjacency matrix (Lovasz-Pelikan index) 2D matrix-based descriptors287 SpMaxA_A normalized leading eigenvalue from adjacency matrix 2D matrix-based descriptors288 SpDiam_A spectral diameter from adjacency matrix 2D matrix-based descriptors289 SpAD_A spectral absolute deviation from adjacency matrix 2D matrix-based descriptors290 SpMAD_A spectral mean absolute deviation from adjacency matrix 2D matrix-based descriptors291 Ho_A Hosoya-like index (log function) from adjacency matrix 2D matrix-based descriptors292 EE_A Estrada-like index (log function) from adjacency matrix 2D matrix-based descriptors293 VE1_A coefficient sum of the last eigenvector from adjacency matrix 2D matrix-based descriptors294 VE2_A average coefficient of the last eigenvector from adjacency matrix 2D matrix-based descriptors295 VE3_A logarithmic coefficient sum of the last eigenvector from adjacency matrix 2D matrix-based descriptors296 VR1_A Randic-like eigenvector-based index from adjacency matrix 2D matrix-based descriptors297 VR2_A normalized Randic-like eigenvector-based index from adjacency matrix 2D matrix-based descriptors298 VR3_A logarithmic Randic-like eigenvector-based index from adjacency matrix 2D matrix-based descriptors299 Wi_D Wiener-like index from topological distance matrix (Wiener index) 2D matrix-based descriptors300 WiA_D average Wiener-like index from topological distance matrix 2D matrix-based descriptors301 AVS_D average vertex sum from topological distance matrix 2D matrix-based descriptors302 H_D Harary-like index from topological distance matrix (Harary index) 2D matrix-based descriptors303 Chi_D Randic-like index from topological distance matrix 2D matrix-based descriptors304 ChiA_D average Randic-like index from topological distance matrix 2D matrix-based descriptors305 J_D Balaban-like index from topological distance matrix (Balaban distance connectivity index) 2D matrix-based descriptors306 HyWi_D hyper-Wiener-like index (log function) from topological distance matrix 2D matrix-based descriptors307 SpPos_D spectral positive sum from topological distance matrix 2D matrix-based descriptors308 SpPosA_D normalized spectral positive sum from topological distance matrix 2D matrix-based descriptors309 SpPosLog_D logarithmic spectral positive sum from topological distance matrix 2D matrix-based descriptors310 SpMax_D leading eigenvalue from topological distance matrix 2D matrix-based descriptors311 SpMaxA_D normalized leading eigenvalue from topological distance matrix 2D matrix-based descriptors312 SpDiam_D spectral diameter from topological distance matrix 2D matrix-based descriptors313 SpAD_D spectral absolute deviation from topological distance matrix 2D matrix-based descriptors314 SpMAD_D spectral mean absolute deviation from topological distance matrix 2D matrix-based descriptors315 Ho_D Hosoya-like index (log function) from topological distance matrix 2D matrix-based descriptors316 EE_D Estrada-like index (log function) from topological distance matrix 2D matrix-based descriptors317 SM2_D spectral moment of order 2 from topological distance matrix 2D matrix-based descriptors318 SM3_D spectral moment of order 3 from topological distance matrix 2D matrix-based descriptors319 SM4_D spectral moment of order 4 from topological distance matrix 2D matrix-based descriptors320 SM5_D spectral moment of order 5 from topological distance matrix 2D matrix-based descriptors321 SM6_D spectral moment of order 6 from topological distance matrix 2D matrix-based descriptors322 VE1_D coefficient sum of the last eigenvector from topological distance matrix 2D matrix-based descriptors323 VE2_D average coefficient of the last eigenvector from topological distance matrix 2D matrix-based descriptors324 VE3_D logarithmic coefficient sum of the last eigenvector from topological distance matrix 2D matrix-based descriptors325 VR1_D Randic-like eigenvector-based index from topological distance matrix 2D matrix-based descriptors326 VR2_D normalized Randic-like eigenvector-based index from topological distance matrix 2D matrix-based descriptors327 VR3_D logarithmic Randic-like eigenvector-based index from topological distance matrix 2D matrix-based descriptors328 QW_L quasi-Wiener index (Kirchhoff number) from Laplace matrix 2D matrix-based descriptors329 TI1_L first Mohar index from Laplace matrix 2D matrix-based descriptors330 TI2_L second Mohar index from Laplace matrix 2D matrix-based descriptors331 STN_L spanning tree number (log function) from Laplace matrix 2D matrix-based descriptors332 SpPos_L spectral positive sum from Laplace matrix 2D matrix-based descriptors333 SpPosA_L normalized spectral positive sum from Laplace matrix 2D matrix-based descriptors334 SpPosLog_L logarithmic spectral positive sum from Laplace matrix 2D matrix-based descriptors335 SpMax_L leading eigenvalue from Laplace matrix 2D matrix-based descriptors336 SpMaxA_L normalized leading eigenvalue from Laplace matrix 2D matrix-based descriptors337 SpDiam_L spectral diameter from Laplace matrix 2D matrix-based descriptors338 SpAD_L spectral absolute deviation from Laplace matrix 2D matrix-based descriptors339 SpMAD_L spectral mean absolute deviation from Laplace matrix 2D matrix-based descriptors340 Ho_L Hosoya-like index (log function) from Laplace matrix 2D matrix-based descriptors341 EE_L Estrada-like index (log function) from Laplace matrix 2D matrix-based descriptors342 SM2_L spectral moment of order 2 from Laplace matrix 2D matrix-based descriptors343 SM3_L spectral moment of order 3 from Laplace matrix 2D matrix-based descriptors344 SM4_L spectral moment of order 4 from Laplace matrix 2D matrix-based descriptors345 SM5_L spectral moment of order 5 from Laplace matrix 2D matrix-based descriptors346 SM6_L spectral moment of order 6 from Laplace matrix 2D matrix-based descriptors347 VE1_L coefficient sum of the last eigenvector from Laplace matrix 2D matrix-based descriptors348 VE2_L average coefficient of the last eigenvector from Laplace matrix 2D matrix-based descriptors349 VE3_L logarithmic coefficient sum of the last eigenvector from Laplace matrix 2D matrix-based descriptors350 VR1_L Randic-like eigenvector-based index from Laplace matrix 2D matrix-based descriptors351 VR2_L normalized Randic-like eigenvector-based index from Laplace matrix 2D matrix-based descriptors352 VR3_L logarithmic Randic-like eigenvector-based index from Laplace matrix 2D matrix-based descriptors353 AVS_X average vertex sum from chi matrix 2D matrix-based descriptors354 H_X Harary-like index from chi matrix 2D matrix-based descriptors355 Chi_X Randic-like index from chi matrix 2D matrix-based descriptors356 ChiA_X average Randic-like index from chi matrix 2D matrix-based descriptors357 J_X Balaban-like index from chi matrix 2D matrix-based descriptors358 HyWi_X hyper-Wiener-like index (log function) from chi matrix 2D matrix-based descriptors359 SpPos_X spectral positive sum from chi matrix 2D matrix-based descriptors360 SpPosA_X normalized spectral positive sum from chi matrix 2D matrix-based descriptors361 SpPosLog_X logarithmic spectral positive sum from chi matrix 2D matrix-based descriptors362 SpMax_X leading eigenvalue from chi matrix 2D matrix-based descriptors363 SpMaxA_X normalized leading eigenvalue from chi matrix 2D matrix-based descriptors364 SpDiam_X spectral diameter from chi matrix 2D matrix-based descriptors365 SpAD_X spectral absolute deviation from chi matrix 2D matrix-based descriptors366 SpMAD_X spectral mean absolute deviation from chi matrix 2D matrix-based descriptors367 Ho_X Hosoya-like index (log function) from chi matrix 2D matrix-based descriptors368 EE_X Estrada-like index (log function) from chi matrix 2D matrix-based descriptors369 SM2_X spectral moment of order 2 from chi matrix 2D matrix-based descriptors370 SM3_X spectral moment of order 3 from chi matrix 2D matrix-based descriptors371 SM4_X spectral moment of order 4 from chi matrix 2D matrix-based descriptors372 SM5_X spectral moment of order 5 from chi matrix 2D matrix-based descriptors373 SM6_X spectral moment of order 6 from chi matrix 2D matrix-based descriptors374 VE1_X coefficient sum of the last eigenvector from chi matrix 2D matrix-based descriptors375 VE2_X average coefficient of the last eigenvector from chi matrix 2D matrix-based descriptors376 VE3_X logarithmic coefficient sum of the last eigenvector from chi matrix 2D matrix-based descriptors377 VR1_X Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors378 VR2_X normalized Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors379 VR3_X logarithmic Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors380 Wi_H2 Wiener-like index from reciprocal squared distance matrix 2D matrix-based descriptors

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381 WiA_H2 average Wiener-like index from reciprocal squared distance matrix 2D matrix-based descriptors382 AVS_H2 average vertex sum from reciprocal squared distance matrix 2D matrix-based descriptors383 Chi_H2 Randic-like index from reciprocal squared distance matrix 2D matrix-based descriptors384 ChiA_H2 average Randic-like index from reciprocal squared distance matrix 2D matrix-based descriptors385 J_H2 Balaban-like index from reciprocal squared distance matrix 2D matrix-based descriptors386 HyWi_H2 hyper-Wiener-like index (log function) from reciprocal squared distance matrix 2D matrix-based descriptors387 SpPos_H2 spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors388 SpPosA_H2 normalized spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors389 SpPosLog_H2 logarithmic spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors390 SpMax_H2 leading eigenvalue from reciprocal squared distance matrix 2D matrix-based descriptors391 SpMaxA_H2 normalized leading eigenvalue from reciprocal squared distance matrix 2D matrix-based descriptors392 SpDiam_H2 spectral diameter from reciprocal squared distance matrix 2D matrix-based descriptors393 SpAD_H2 spectral absolute deviation from reciprocal squared distance matrix 2D matrix-based descriptors394 SpMAD_H2 spectral mean absolute deviation from reciprocal squared distance matrix 2D matrix-based descriptors395 Ho_H2 Hosoya-like index (log function) from reciprocal squared distance matrix 2D matrix-based descriptors396 EE_H2 Estrada-like index (log function) from reciprocal squared distance matrix 2D matrix-based descriptors397 SM2_H2 spectral moment of order 2 from reciprocal squared distance matrix 2D matrix-based descriptors398 SM3_H2 spectral moment of order 3 from reciprocal squared distance matrix 2D matrix-based descriptors399 SM4_H2 spectral moment of order 4 from reciprocal squared distance matrix 2D matrix-based descriptors400 SM5_H2 spectral moment of order 5 from reciprocal squared distance matrix 2D matrix-based descriptors401 SM6_H2 spectral moment of order 6 from reciprocal squared distance matrix 2D matrix-based descriptors402 VE1_H2 coefficient sum of the last eigenvector from reciprocal squared distance matrix 2D matrix-based descriptors403 VE2_H2 average coefficient of the last eigenvector from reciprocal squared distance matrix 2D matrix-based descriptors404 VE3_H2 logarithmic coefficient sum of the last eigenvector from reciprocal squared distance matrix 2D matrix-based descriptors405 VR1_H2 Randic-like eigenvector-based index from reciprocal squared distance matrix 2D matrix-based descriptors406 VR2_H2 normalized Randic-like eigenvector-based index from reciprocal squared distance matrix 2D matrix-based descriptors407 VR3_H2 logarithmic Randic-like eigenvector-based index from reciprocal squared distance matrix 2D matrix-based descriptors408 Wi_Dt Wiener-like index from detour matrix (detour index) 2D matrix-based descriptors409 WiA_Dt average Wiener-like index from detour matrix 2D matrix-based descriptors410 AVS_Dt average vertex sum from detour matrix 2D matrix-based descriptors411 H_Dt Harary-like index from detour matrix 2D matrix-based descriptors412 Chi_Dt Randic-like index from detour matrix 2D matrix-based descriptors413 ChiA_Dt average Randic-like index from detour matrix 2D matrix-based descriptors414 J_Dt Balaban-like index from detour matrix 2D matrix-based descriptors415 HyWi_Dt hyper-Wiener-like index (log function) from detour matrix 2D matrix-based descriptors416 SpPos_Dt spectral positive sum from detour matrix 2D matrix-based descriptors417 SpPosA_Dt normalized spectral positive sum from detour matrix 2D matrix-based descriptors418 SpPosLog_Dt logarithmic spectral positive sum from detour matrix 2D matrix-based descriptors419 SpMax_Dt leading eigenvalue from detour matrix 2D matrix-based descriptors420 SpMaxA_Dt normalized leading eigenvalue from detour matrix 2D matrix-based descriptors421 SpDiam_Dt spectral diameter from detour matrix 2D matrix-based descriptors422 SpAD_Dt spectral absolute deviation from detour matrix 2D matrix-based descriptors423 SpMAD_Dt spectral mean absolute deviation from detour matrix 2D matrix-based descriptors424 Ho_Dt Hosoya-like index (log function) from detour matrix 2D matrix-based descriptors425 EE_Dt Estrada-like index (log function) from detour matrix 2D matrix-based descriptors426 SM2_Dt spectral moment of order 2 from detour matrix 2D matrix-based descriptors427 SM3_Dt spectral moment of order 3 from detour matrix 2D matrix-based descriptors428 SM4_Dt spectral moment of order 4 from detour matrix 2D matrix-based descriptors429 SM5_Dt spectral moment of order 5 from detour matrix 2D matrix-based descriptors430 SM6_Dt spectral moment of order 6 from detour matrix 2D matrix-based descriptors431 VE1_Dt coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors432 VE2_Dt average coefficient of the last eigenvector from detour matrix 2D matrix-based descriptors433 VE3_Dt logarithmic coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors434 VR1_Dt Randic-like eigenvector-based index from detour matrix 2D matrix-based descriptors435 VR2_Dt normalized Randic-like eigenvector-based index from detour matrix 2D matrix-based descriptors436 VR3_Dt logarithmic Randic-like eigenvector-based index from detour matrix 2D matrix-based descriptors437 Wi_D/Dt Wiener-like index from distance/detour matrix 2D matrix-based descriptors438 WiA_D/Dt average Wiener-like index from distance/detour matrix 2D matrix-based descriptors439 AVS_D/Dt average vertex sum from distance/detour matrix 2D matrix-based descriptors440 H_D/Dt Harary-like index from distance/detour matrix 2D matrix-based descriptors441 Chi_D/Dt Randic-like index from distance/detour matrix 2D matrix-based descriptors442 ChiA_D/Dt average Randic-like index from distance/detour matrix 2D matrix-based descriptors443 J_D/Dt Balaban-like index from distance/detour matrix 2D matrix-based descriptors444 HyWi_D/Dt hyper-Wiener-like index (log function) from distance/detour matrix 2D matrix-based descriptors445 SpPos_D/Dt spectral positive sum from distance/detour matrix 2D matrix-based descriptors446 SpPosA_D/Dt normalized spectral positive sum from distance/detour matrix 2D matrix-based descriptors447 SpPosLog_D/Dt logarithmic spectral positive sum from distance/detour matrix 2D matrix-based descriptors448 SpMax_D/Dt leading eigenvalue from distance/detour matrix 2D matrix-based descriptors449 SpMaxA_D/Dt normalized leading eigenvalue from distance/detour matrix 2D matrix-based descriptors450 SpDiam_D/Dt spectral diameter from distance/detour matrix 2D matrix-based descriptors451 SpAD_D/Dt spectral absolute deviation from distance/detour matrix 2D matrix-based descriptors452 SpMAD_D/Dt spectral mean absolute deviation from distance/detour matrix 2D matrix-based descriptors453 Ho_D/Dt Hosoya-like index (log function) from distance/detour matrix 2D matrix-based descriptors454 EE_D/Dt Estrada-like index (log function) from distance/detour matrix 2D matrix-based descriptors455 SM2_D/Dt spectral moment of order 2 from distance/detour matrix 2D matrix-based descriptors456 SM3_D/Dt spectral moment of order 3 from distance/detour matrix 2D matrix-based descriptors457 SM4_D/Dt spectral moment of order 4 from distance/detour matrix 2D matrix-based descriptors458 SM5_D/Dt spectral moment of order 5 from distance/detour matrix 2D matrix-based descriptors459 SM6_D/Dt spectral moment of order 6 from distance/detour matrix 2D matrix-based descriptors460 VE1_D/Dt coefficient sum of the last eigenvector from distance/detour matrix 2D matrix-based descriptors461 VE2_D/Dt average coefficient of the last eigenvector from distance/detour matrix 2D matrix-based descriptors462 VE3_D/Dt logarithmic coefficient sum of the last eigenvector from distance/detour matrix 2D matrix-based descriptors463 VR1_D/Dt Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors464 VR2_D/Dt normalized Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors465 VR3_D/Dt logarithmic Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors466 Wi_Dz(Z) Wiener-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors467 WiA_Dz(Z) average Wiener-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors468 AVS_Dz(Z) average vertex sum from Barysz matrix weighted by atomic number 2D matrix-based descriptors469 H_Dz(Z) Harary-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors470 Chi_Dz(Z) Randic-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors471 ChiA_Dz(Z) average Randic-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors472 J_Dz(Z) Balaban-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors473 HyWi_Dz(Z) hyper-Wiener-like index (log function) from Barysz matrix weighted by atomic number 2D matrix-based descriptors474 SpAbs_Dz(Z) graph energy from Barysz matrix weighted by atomic number 2D matrix-based descriptors475 SpPos_Dz(Z) spectral positive sum from Barysz matrix weighted by atomic number 2D matrix-based descriptors476 SpPosA_Dz(Z) normalized spectral positive sum from Barysz matrix weighted by atomic number 2D matrix-based descriptors

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477 SpPosLog_Dz(Z) logarithmic spectral positive sum from Barysz matrix weighted by atomic number 2D matrix-based descriptors478 SpMax_Dz(Z) leading eigenvalue from Barysz matrix weighted by atomic number 2D matrix-based descriptors479 SpMaxA_Dz(Z) normalized leading eigenvalue from Barysz matrix weighted by atomic number 2D matrix-based descriptors480 SpDiam_Dz(Z) spectral diameter from Barysz matrix weighted by atomic number 2D matrix-based descriptors481 SpAD_Dz(Z) spectral absolute deviation from Barysz matrix weighted by atomic number 2D matrix-based descriptors482 SpMAD_Dz(Z) spectral mean absolute deviation from Barysz matrix weighted by atomic number 2D matrix-based descriptors483 Ho_Dz(Z) Hosoya-like index (log function) from Barysz matrix weighted by atomic number 2D matrix-based descriptors484 EE_Dz(Z) Estrada-like index (log function) from Barysz matrix weighted by atomic number 2D matrix-based descriptors485 SM1_Dz(Z) spectral moment of order 1 from Barysz matrix weighted by atomic number 2D matrix-based descriptors486 SM2_Dz(Z) spectral moment of order 2 from Barysz matrix weighted by atomic number 2D matrix-based descriptors487 SM3_Dz(Z) spectral moment of order 3 from Barysz matrix weighted by atomic number 2D matrix-based descriptors488 SM4_Dz(Z) spectral moment of order 4 from Barysz matrix weighted by atomic number 2D matrix-based descriptors489 SM5_Dz(Z) spectral moment of order 5 from Barysz matrix weighted by atomic number 2D matrix-based descriptors490 SM6_Dz(Z) spectral moment of order 6 from Barysz matrix weighted by atomic number 2D matrix-based descriptors491 VE1_Dz(Z) coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number 2D matrix-based descriptors492 VE2_Dz(Z) average coefficient of the last eigenvector from Barysz matrix weighted by atomic number 2D matrix-based descriptors493 VE3_Dz(Z) logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number 2D matrix-based descriptors494 VR1_Dz(Z) Randic-like eigenvector-based index from Barysz matrix weighted by atomic number 2D matrix-based descriptors495 VR2_Dz(Z) normalized Randic-like eigenvector-based index from Barysz matrix weighted by atomic number 2D matrix-based descriptors496 VR3_Dz(Z) logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by atomic number 2D matrix-based descriptors497 Wi_Dz(m) Wiener-like index from Barysz matrix weighted by mass 2D matrix-based descriptors498 WiA_Dz(m) average Wiener-like index from Barysz matrix weighted by mass 2D matrix-based descriptors499 AVS_Dz(m) average vertex sum from Barysz matrix weighted by mass 2D matrix-based descriptors500 H_Dz(m) Harary-like index from Barysz matrix weighted by mass 2D matrix-based descriptors501 Chi_Dz(m) Randic-like index from Barysz matrix weighted by mass 2D matrix-based descriptors502 ChiA_Dz(m) average Randic-like index from Barysz matrix weighted by mass 2D matrix-based descriptors503 J_Dz(m) Balaban-like index from Barysz matrix weighted by mass 2D matrix-based descriptors504 HyWi_Dz(m) hyper-Wiener-like index (log function) from Barysz matrix weighted by mass 2D matrix-based descriptors505 SpAbs_Dz(m) graph energy from Barysz matrix weighted by mass 2D matrix-based descriptors506 SpPos_Dz(m) spectral positive sum from Barysz matrix weighted by mass 2D matrix-based descriptors507 SpPosA_Dz(m) normalized spectral positive sum from Barysz matrix weighted by mass 2D matrix-based descriptors508 SpPosLog_Dz(m) logarithmic spectral positive sum from Barysz matrix weighted by mass 2D matrix-based descriptors509 SpMax_Dz(m) leading eigenvalue from Barysz matrix weighted by mass 2D matrix-based descriptors510 SpMaxA_Dz(m) normalized leading eigenvalue from Barysz matrix weighted by mass 2D matrix-based descriptors511 SpDiam_Dz(m) spectral diameter from Barysz matrix weighted by mass 2D matrix-based descriptors512 SpAD_Dz(m) spectral absolute deviation from Barysz matrix weighted by mass 2D matrix-based descriptors513 SpMAD_Dz(m) spectral mean absolute deviation from Barysz matrix weighted by mass 2D matrix-based descriptors514 Ho_Dz(m) Hosoya-like index (log function) from Barysz matrix weighted by mass 2D matrix-based descriptors515 EE_Dz(m) Estrada-like index (log function) from Barysz matrix weighted by mass 2D matrix-based descriptors516 SM1_Dz(m) spectral moment of order 1 from Barysz matrix weighted by mass 2D matrix-based descriptors517 SM2_Dz(m) spectral moment of order 2 from Barysz matrix weighted by mass 2D matrix-based descriptors518 SM3_Dz(m) spectral moment of order 3 from Barysz matrix weighted by mass 2D matrix-based descriptors519 SM4_Dz(m) spectral moment of order 4 from Barysz matrix weighted by mass 2D matrix-based descriptors520 SM5_Dz(m) spectral moment of order 5 from Barysz matrix weighted by mass 2D matrix-based descriptors521 SM6_Dz(m) spectral moment of order 6 from Barysz matrix weighted by mass 2D matrix-based descriptors522 VE1_Dz(m) coefficient sum of the last eigenvector from Barysz matrix weighted by mass 2D matrix-based descriptors523 VE2_Dz(m) average coefficient of the last eigenvector from Barysz matrix weighted by mass 2D matrix-based descriptors524 VE3_Dz(m) logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by mass 2D matrix-based descriptors525 VR1_Dz(m) Randic-like eigenvector-based index from Barysz matrix weighted by mass 2D matrix-based descriptors526 VR2_Dz(m) normalized Randic-like eigenvector-based index from Barysz matrix weighted by mass 2D matrix-based descriptors527 VR3_Dz(m) logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by mass 2D matrix-based descriptors528 Wi_Dz(v) Wiener-like index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors529 WiA_Dz(v) average Wiener-like index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors530 AVS_Dz(v) average vertex sum from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors531 H_Dz(v) Harary-like index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors532 Chi_Dz(v) Randic-like index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors533 ChiA_Dz(v) average Randic-like index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors534 J_Dz(v) Balaban-like index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors535 HyWi_Dz(v) hyper-Wiener-like index (log function) from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors536 SpAbs_Dz(v) graph energy from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors537 SpPos_Dz(v) spectral positive sum from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors538 SpPosA_Dz(v) normalized spectral positive sum from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors539 SpPosLog_Dz(v) logarithmic spectral positive sum from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors540 SpMax_Dz(v) leading eigenvalue from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors541 SpMaxA_Dz(v) normalized leading eigenvalue from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors542 SpDiam_Dz(v) spectral diameter from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors543 SpAD_Dz(v) spectral absolute deviation from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors544 SpMAD_Dz(v) spectral mean absolute deviation from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors545 Ho_Dz(v) Hosoya-like index (log function) from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors546 EE_Dz(v) Estrada-like index (log function) from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors547 SM1_Dz(v) spectral moment of order 1 from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors548 SM2_Dz(v) spectral moment of order 2 from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors549 SM3_Dz(v) spectral moment of order 3 from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors550 SM4_Dz(v) spectral moment of order 4 from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors551 SM5_Dz(v) spectral moment of order 5 from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors552 SM6_Dz(v) spectral moment of order 6 from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors553 VE1_Dz(v) coefficient sum of the last eigenvector from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors554 VE2_Dz(v) average coefficient of the last eigenvector from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors555 VE3_Dz(v) logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors556 VR1_Dz(v) Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors557 VR2_Dz(v) normalized Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors558 VR3_Dz(v) logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume 2D matrix-based descriptors559 Wi_Dz(e) Wiener-like index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors560 WiA_Dz(e) average Wiener-like index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors561 AVS_Dz(e) average vertex sum from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors562 H_Dz(e) Harary-like index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors563 Chi_Dz(e) Randic-like index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors564 ChiA_Dz(e) average Randic-like index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors565 J_Dz(e) Balaban-like index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors566 HyWi_Dz(e) hyper-Wiener-like index (log function) from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors567 SpAbs_Dz(e) graph energy from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors568 SpPos_Dz(e) spectral positive sum from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors569 SpPosA_Dz(e) normalized spectral positive sum from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors570 SpPosLog_Dz(e) logarithmic spectral positive sum from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors571 SpMax_Dz(e) leading eigenvalue from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors572 SpMaxA_Dz(e) normalized leading eigenvalue from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors

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573 SpDiam_Dz(e) spectral diameter from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors574 SpAD_Dz(e) spectral absolute deviation from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors575 SpMAD_Dz(e) spectral mean absolute deviation from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors576 Ho_Dz(e) Hosoya-like index (log function) from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors577 EE_Dz(e) Estrada-like index (log function) from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors578 SM1_Dz(e) spectral moment of order 1 from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors579 SM2_Dz(e) spectral moment of order 2 from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors580 SM3_Dz(e) spectral moment of order 3 from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors581 SM4_Dz(e) spectral moment of order 4 from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors582 SM5_Dz(e) spectral moment of order 5 from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors583 SM6_Dz(e) spectral moment of order 6 from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors584 VE1_Dz(e) coefficient sum of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors585 VE2_Dz(e) average coefficient of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors586 VE3_Dz(e) logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors587 VR1_Dz(e) Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors588 VR2_Dz(e) normalized Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors589 VR3_Dz(e) logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity 2D matrix-based descriptors590 Wi_Dz(p) Wiener-like index from Barysz matrix weighted by polarizability 2D matrix-based descriptors591 WiA_Dz(p) average Wiener-like index from Barysz matrix weighted by polarizability 2D matrix-based descriptors592 AVS_Dz(p) average vertex sum from Barysz matrix weighted by polarizability 2D matrix-based descriptors593 H_Dz(p) Harary-like index from Barysz matrix weighted by polarizability 2D matrix-based descriptors594 Chi_Dz(p) Randic-like index from Barysz matrix weighted by polarizability 2D matrix-based descriptors595 ChiA_Dz(p) average Randic-like index from Barysz matrix weighted by polarizability 2D matrix-based descriptors596 J_Dz(p) Balaban-like index from Barysz matrix weighted by polarizability 2D matrix-based descriptors597 HyWi_Dz(p) hyper-Wiener-like index (log function) from Barysz matrix weighted by polarizability 2D matrix-based descriptors598 SpAbs_Dz(p) graph energy from Barysz matrix weighted by polarizability 2D matrix-based descriptors599 SpPos_Dz(p) spectral positive sum from Barysz matrix weighted by polarizability 2D matrix-based descriptors600 SpPosA_Dz(p) normalized spectral positive sum from Barysz matrix weighted by polarizability 2D matrix-based descriptors601 SpPosLog_Dz(p) logarithmic spectral positive sum from Barysz matrix weighted by polarizability 2D matrix-based descriptors602 SpMax_Dz(p) leading eigenvalue from Barysz matrix weighted by polarizability 2D matrix-based descriptors603 SpMaxA_Dz(p) normalized leading eigenvalue from Barysz matrix weighted by polarizability 2D matrix-based descriptors604 SpDiam_Dz(p) spectral diameter from Barysz matrix weighted by polarizability 2D matrix-based descriptors605 SpAD_Dz(p) spectral absolute deviation from Barysz matrix weighted by polarizability 2D matrix-based descriptors606 SpMAD_Dz(p) spectral mean absolute deviation from Barysz matrix weighted by polarizability 2D matrix-based descriptors607 Ho_Dz(p) Hosoya-like index (log function) from Barysz matrix weighted by polarizability 2D matrix-based descriptors608 EE_Dz(p) Estrada-like index (log function) from Barysz matrix weighted by polarizability 2D matrix-based descriptors609 SM1_Dz(p) spectral moment of order 1 from Barysz matrix weighted by polarizability 2D matrix-based descriptors610 SM2_Dz(p) spectral moment of order 2 from Barysz matrix weighted by polarizability 2D matrix-based descriptors611 SM3_Dz(p) spectral moment of order 3 from Barysz matrix weighted by polarizability 2D matrix-based descriptors612 SM4_Dz(p) spectral moment of order 4 from Barysz matrix weighted by polarizability 2D matrix-based descriptors613 SM5_Dz(p) spectral moment of order 5 from Barysz matrix weighted by polarizability 2D matrix-based descriptors614 SM6_Dz(p) spectral moment of order 6 from Barysz matrix weighted by polarizability 2D matrix-based descriptors615 VE1_Dz(p) coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability 2D matrix-based descriptors616 VE2_Dz(p) average coefficient of the last eigenvector from Barysz matrix weighted by polarizability 2D matrix-based descriptors617 VE3_Dz(p) logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability 2D matrix-based descriptors618 VR1_Dz(p) Randic-like eigenvector-based index from Barysz matrix weighted by polarizability 2D matrix-based descriptors619 VR2_Dz(p) normalized Randic-like eigenvector-based index from Barysz matrix weighted by polarizability 2D matrix-based descriptors620 VR3_Dz(p) logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by polarizability 2D matrix-based descriptors621 Wi_Dz(i) Wiener-like index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors622 WiA_Dz(i) average Wiener-like index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors623 AVS_Dz(i) average vertex sum from Barysz matrix weighted by ionization potential 2D matrix-based descriptors624 H_Dz(i) Harary-like index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors625 Chi_Dz(i) Randic-like index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors626 ChiA_Dz(i) average Randic-like index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors627 J_Dz(i) Balaban-like index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors628 HyWi_Dz(i) hyper-Wiener-like index (log function) from Barysz matrix weighted by ionization potential 2D matrix-based descriptors629 SpAbs_Dz(i) graph energy from Barysz matrix weighted by ionization potential 2D matrix-based descriptors630 SpPos_Dz(i) spectral positive sum from Barysz matrix weighted by ionization potential 2D matrix-based descriptors631 SpPosA_Dz(i) normalized spectral positive sum from Barysz matrix weighted by ionization potential 2D matrix-based descriptors632 SpPosLog_Dz(i) logarithmic spectral positive sum from Barysz matrix weighted by ionization potential 2D matrix-based descriptors633 SpMax_Dz(i) leading eigenvalue from Barysz matrix weighted by ionization potential 2D matrix-based descriptors634 SpMaxA_Dz(i) normalized leading eigenvalue from Barysz matrix weighted by ionization potential 2D matrix-based descriptors635 SpDiam_Dz(i) spectral diameter from Barysz matrix weighted by ionization potential 2D matrix-based descriptors636 SpAD_Dz(i) spectral absolute deviation from Barysz matrix weighted by ionization potential 2D matrix-based descriptors637 SpMAD_Dz(i) spectral mean absolute deviation from Barysz matrix weighted by ionization potential 2D matrix-based descriptors638 Ho_Dz(i) Hosoya-like index (log function) from Barysz matrix weighted by ionization potential 2D matrix-based descriptors639 EE_Dz(i) Estrada-like index (log function) from Barysz matrix weighted by ionization potential 2D matrix-based descriptors640 SM1_Dz(i) spectral moment of order 1 from Barysz matrix weighted by ionization potential 2D matrix-based descriptors641 SM2_Dz(i) spectral moment of order 2 from Barysz matrix weighted by ionization potential 2D matrix-based descriptors642 SM3_Dz(i) spectral moment of order 3 from Barysz matrix weighted by ionization potential 2D matrix-based descriptors643 SM4_Dz(i) spectral moment of order 4 from Barysz matrix weighted by ionization potential 2D matrix-based descriptors644 SM5_Dz(i) spectral moment of order 5 from Barysz matrix weighted by ionization potential 2D matrix-based descriptors645 SM6_Dz(i) spectral moment of order 6 from Barysz matrix weighted by ionization potential 2D matrix-based descriptors646 VE1_Dz(i) coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential 2D matrix-based descriptors647 VE2_Dz(i) average coefficient of the last eigenvector from Barysz matrix weighted by ionization potential 2D matrix-based descriptors648 VE3_Dz(i) logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential 2D matrix-based descriptors649 VR1_Dz(i) Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors650 VR2_Dz(i) normalized Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors651 VR3_Dz(i) logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential 2D matrix-based descriptors652 Wi_B(m) Wiener-like index from Burden matrix weighted by mass 2D matrix-based descriptors653 WiA_B(m) average Wiener-like index from Burden matrix weighted by mass 2D matrix-based descriptors654 AVS_B(m) average vertex sum from Burden matrix weighted by mass 2D matrix-based descriptors655 Chi_B(m) Randic-like index from Burden matrix weighted by mass 2D matrix-based descriptors656 ChiA_B(m) average Randic-like index from Burden matrix weighted by mass 2D matrix-based descriptors657 J_B(m) Balaban-like index from Burden matrix weighted by mass 2D matrix-based descriptors658 HyWi_B(m) hyper-Wiener-like index (log function) from Burden matrix weighted by mass 2D matrix-based descriptors659 SpAbs_B(m) graph energy from Burden matrix weighted by mass 2D matrix-based descriptors660 SpPos_B(m) spectral positive sum from Burden matrix weighted by mass 2D matrix-based descriptors661 SpPosA_B(m) normalized spectral positive sum from Burden matrix weighted by mass 2D matrix-based descriptors662 SpPosLog_B(m) logarithmic spectral positive sum from Burden matrix weighted by mass 2D matrix-based descriptors663 SpMax_B(m) leading eigenvalue from Burden matrix weighted by mass 2D matrix-based descriptors664 SpMaxA_B(m) normalized leading eigenvalue from Burden matrix weighted by mass 2D matrix-based descriptors665 SpDiam_B(m) spectral diameter from Burden matrix weighted by mass 2D matrix-based descriptors666 SpAD_B(m) spectral absolute deviation from Burden matrix weighted by mass 2D matrix-based descriptors667 SpMAD_B(m) spectral mean absolute deviation from Burden matrix weighted by mass 2D matrix-based descriptors668 Ho_B(m) Hosoya-like index (log function) from Burden matrix weighted by mass 2D matrix-based descriptors

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669 EE_B(m) Estrada-like index (log function) from Burden matrix weighted by mass 2D matrix-based descriptors670 SM1_B(m) spectral moment of order 1 from Burden matrix weighted by mass 2D matrix-based descriptors671 SM2_B(m) spectral moment of order 2 from Burden matrix weighted by mass 2D matrix-based descriptors672 SM3_B(m) spectral moment of order 3 from Burden matrix weighted by mass 2D matrix-based descriptors673 SM4_B(m) spectral moment of order 4 from Burden matrix weighted by mass 2D matrix-based descriptors674 SM5_B(m) spectral moment of order 5 from Burden matrix weighted by mass 2D matrix-based descriptors675 SM6_B(m) spectral moment of order 6 from Burden matrix weighted by mass 2D matrix-based descriptors676 VE1_B(m) coefficient sum of the last eigenvector from Burden matrix weighted by mass 2D matrix-based descriptors677 VE2_B(m) average coefficient of the last eigenvector from Burden matrix weighted by mass 2D matrix-based descriptors678 VE3_B(m) logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by mass 2D matrix-based descriptors679 VR1_B(m) Randic-like eigenvector-based index from Burden matrix weighted by mass 2D matrix-based descriptors680 VR2_B(m) normalized Randic-like eigenvector-based index from Burden matrix weighted by mass 2D matrix-based descriptors681 VR3_B(m) logarithmic Randic-like eigenvector-based index from Burden matrix weighted by mass 2D matrix-based descriptors682 Wi_B(v) Wiener-like index from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors683 WiA_B(v) average Wiener-like index from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors684 AVS_B(v) average vertex sum from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors685 Chi_B(v) Randic-like index from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors686 ChiA_B(v) average Randic-like index from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors687 J_B(v) Balaban-like index from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors688 HyWi_B(v) hyper-Wiener-like index (log function) from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors689 SpAbs_B(v) graph energy from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors690 SpPos_B(v) spectral positive sum from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors691 SpPosA_B(v) normalized spectral positive sum from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors692 SpPosLog_B(v) logarithmic spectral positive sum from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors693 SpMax_B(v) leading eigenvalue from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors694 SpMaxA_B(v) normalized leading eigenvalue from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors695 SpDiam_B(v) spectral diameter from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors696 SpAD_B(v) spectral absolute deviation from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors697 SpMAD_B(v) spectral mean absolute deviation from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors698 Ho_B(v) Hosoya-like index (log function) from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors699 EE_B(v) Estrada-like index (log function) from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors700 SM1_B(v) spectral moment of order 1 from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors701 SM2_B(v) spectral moment of order 2 from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors702 SM3_B(v) spectral moment of order 3 from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors703 SM4_B(v) spectral moment of order 4 from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors704 SM5_B(v) spectral moment of order 5 from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors705 SM6_B(v) spectral moment of order 6 from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors706 VE1_B(v) coefficient sum of the last eigenvector from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors707 VE2_B(v) average coefficient of the last eigenvector from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors708 VE3_B(v) logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors709 VR1_B(v) Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors710 VR2_B(v) normalized Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors711 VR3_B(v) logarithmic Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume 2D matrix-based descriptors712 Wi_B(e) Wiener-like index from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors713 WiA_B(e) average Wiener-like index from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors714 AVS_B(e) average vertex sum from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors715 Chi_B(e) Randic-like index from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors716 ChiA_B(e) average Randic-like index from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors717 J_B(e) Balaban-like index from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors718 HyWi_B(e) hyper-Wiener-like index (log function) from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors719 SpAbs_B(e) graph energy from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors720 SpPos_B(e) spectral positive sum from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors721 SpPosA_B(e) normalized spectral positive sum from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors722 SpPosLog_B(e) logarithmic spectral positive sum from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors723 SpMax_B(e) leading eigenvalue from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors724 SpMaxA_B(e) normalized leading eigenvalue from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors725 SpDiam_B(e) spectral diameter from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors726 SpAD_B(e) spectral absolute deviation from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors727 SpMAD_B(e) spectral mean absolute deviation from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors728 Ho_B(e) Hosoya-like index (log function) from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors729 EE_B(e) Estrada-like index (log function) from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors730 SM1_B(e) spectral moment of order 1 from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors731 SM2_B(e) spectral moment of order 2 from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors732 SM3_B(e) spectral moment of order 3 from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors733 SM4_B(e) spectral moment of order 4 from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors734 SM5_B(e) spectral moment of order 5 from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors735 SM6_B(e) spectral moment of order 6 from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors736 VE1_B(e) coefficient sum of the last eigenvector from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors737 VE2_B(e) average coefficient of the last eigenvector from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors738 VE3_B(e) logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors739 VR1_B(e) Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors740 VR2_B(e) normalized Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors741 VR3_B(e) logarithmic Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity 2D matrix-based descriptors742 Wi_B(p) Wiener-like index from Burden matrix weighted by polarizability 2D matrix-based descriptors743 WiA_B(p) average Wiener-like index from Burden matrix weighted by polarizability 2D matrix-based descriptors744 AVS_B(p) average vertex sum from Burden matrix weighted by polarizability 2D matrix-based descriptors745 Chi_B(p) Randic-like index from Burden matrix weighted by polarizability 2D matrix-based descriptors746 ChiA_B(p) average Randic-like index from Burden matrix weighted by polarizability 2D matrix-based descriptors747 J_B(p) Balaban-like index from Burden matrix weighted by polarizability 2D matrix-based descriptors748 HyWi_B(p) hyper-Wiener-like index (log function) from Burden matrix weighted by polarizability 2D matrix-based descriptors749 SpAbs_B(p) graph energy from Burden matrix weighted by polarizability 2D matrix-based descriptors750 SpPos_B(p) spectral positive sum from Burden matrix weighted by polarizability 2D matrix-based descriptors751 SpPosA_B(p) normalized spectral positive sum from Burden matrix weighted by polarizability 2D matrix-based descriptors752 SpPosLog_B(p) logarithmic spectral positive sum from Burden matrix weighted by polarizability 2D matrix-based descriptors753 SpMax_B(p) leading eigenvalue from Burden matrix weighted by polarizability 2D matrix-based descriptors754 SpMaxA_B(p) normalized leading eigenvalue from Burden matrix weighted by polarizability 2D matrix-based descriptors755 SpDiam_B(p) spectral diameter from Burden matrix weighted by polarizability 2D matrix-based descriptors756 SpAD_B(p) spectral absolute deviation from Burden matrix weighted by polarizability 2D matrix-based descriptors757 SpMAD_B(p) spectral mean absolute deviation from Burden matrix weighted by polarizability 2D matrix-based descriptors758 Ho_B(p) Hosoya-like index (log function) from Burden matrix weighted by polarizability 2D matrix-based descriptors759 EE_B(p) Estrada-like index (log function) from Burden matrix weighted by polarizability 2D matrix-based descriptors760 SM1_B(p) spectral moment of order 1 from Burden matrix weighted by polarizability 2D matrix-based descriptors761 SM2_B(p) spectral moment of order 2 from Burden matrix weighted by polarizability 2D matrix-based descriptors762 SM3_B(p) spectral moment of order 3 from Burden matrix weighted by polarizability 2D matrix-based descriptors763 SM4_B(p) spectral moment of order 4 from Burden matrix weighted by polarizability 2D matrix-based descriptors764 SM5_B(p) spectral moment of order 5 from Burden matrix weighted by polarizability 2D matrix-based descriptors

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765 SM6_B(p) spectral moment of order 6 from Burden matrix weighted by polarizability 2D matrix-based descriptors766 VE1_B(p) coefficient sum of the last eigenvector from Burden matrix weighted by polarizability 2D matrix-based descriptors767 VE2_B(p) average coefficient of the last eigenvector from Burden matrix weighted by polarizability 2D matrix-based descriptors768 VE3_B(p) logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by polarizability 2D matrix-based descriptors769 VR1_B(p) Randic-like eigenvector-based index from Burden matrix weighted by polarizability 2D matrix-based descriptors770 VR2_B(p) normalized Randic-like eigenvector-based index from Burden matrix weighted by polarizability 2D matrix-based descriptors771 VR3_B(p) logarithmic Randic-like eigenvector-based index from Burden matrix weighted by polarizability 2D matrix-based descriptors772 Wi_B(i) Wiener-like index from Burden matrix weighted by ionization potential 2D matrix-based descriptors773 WiA_B(i) average Wiener-like index from Burden matrix weighted by ionization potential 2D matrix-based descriptors774 AVS_B(i) average vertex sum from Burden matrix weighted by ionization potential 2D matrix-based descriptors775 Chi_B(i) Randic-like index from Burden matrix weighted by ionization potential 2D matrix-based descriptors776 ChiA_B(i) average Randic-like index from Burden matrix weighted by ionization potential 2D matrix-based descriptors777 J_B(i) Balaban-like index from Burden matrix weighted by ionization potential 2D matrix-based descriptors778 HyWi_B(i) hyper-Wiener-like index (log function) from Burden matrix weighted by ionization potential 2D matrix-based descriptors779 SpAbs_B(i) graph energy from Burden matrix weighted by ionization potential 2D matrix-based descriptors780 SpPos_B(i) spectral positive sum from Burden matrix weighted by ionization potential 2D matrix-based descriptors781 SpPosA_B(i) normalized spectral positive sum from Burden matrix weighted by ionization potential 2D matrix-based descriptors782 SpPosLog_B(i) logarithmic spectral positive sum from Burden matrix weighted by ionization potential 2D matrix-based descriptors783 SpMax_B(i) leading eigenvalue from Burden matrix weighted by ionization potential 2D matrix-based descriptors784 SpMaxA_B(i) normalized leading eigenvalue from Burden matrix weighted by ionization potential 2D matrix-based descriptors785 SpDiam_B(i) spectral diameter from Burden matrix weighted by ionization potential 2D matrix-based descriptors786 SpAD_B(i) spectral absolute deviation from Burden matrix weighted by ionization potential 2D matrix-based descriptors787 SpMAD_B(i) spectral mean absolute deviation from Burden matrix weighted by ionization potential 2D matrix-based descriptors788 Ho_B(i) Hosoya-like index (log function) from Burden matrix weighted by ionization potential 2D matrix-based descriptors789 EE_B(i) Estrada-like index (log function) from Burden matrix weighted by ionization potential 2D matrix-based descriptors790 SM1_B(i) spectral moment of order 1 from Burden matrix weighted by ionization potential 2D matrix-based descriptors791 SM2_B(i) spectral moment of order 2 from Burden matrix weighted by ionization potential 2D matrix-based descriptors792 SM3_B(i) spectral moment of order 3 from Burden matrix weighted by ionization potential 2D matrix-based descriptors793 SM4_B(i) spectral moment of order 4 from Burden matrix weighted by ionization potential 2D matrix-based descriptors794 SM5_B(i) spectral moment of order 5 from Burden matrix weighted by ionization potential 2D matrix-based descriptors795 SM6_B(i) spectral moment of order 6 from Burden matrix weighted by ionization potential 2D matrix-based descriptors796 VE1_B(i) coefficient sum of the last eigenvector from Burden matrix weighted by ionization potential 2D matrix-based descriptors797 VE2_B(i) average coefficient of the last eigenvector from Burden matrix weighted by ionization potential 2D matrix-based descriptors798 VE3_B(i) logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by ionization potential 2D matrix-based descriptors799 VR1_B(i) Randic-like eigenvector-based index from Burden matrix weighted by ionization potential 2D matrix-based descriptors800 VR2_B(i) normalized Randic-like eigenvector-based index from Burden matrix weighted by ionization potential 2D matrix-based descriptors801 VR3_B(i) logarithmic Randic-like eigenvector-based index from Burden matrix weighted by ionization potential 2D matrix-based descriptors802 Wi_B(s) Wiener-like index from Burden matrix weighted by I-State 2D matrix-based descriptors803 WiA_B(s) average Wiener-like index from Burden matrix weighted by I-State 2D matrix-based descriptors804 AVS_B(s) average vertex sum from Burden matrix weighted by I-State 2D matrix-based descriptors805 Chi_B(s) Randic-like index from Burden matrix weighted by I-State 2D matrix-based descriptors806 ChiA_B(s) average Randic-like index from Burden matrix weighted by I-State 2D matrix-based descriptors807 J_B(s) Balaban-like index from Burden matrix weighted by I-State 2D matrix-based descriptors808 HyWi_B(s) hyper-Wiener-like index (log function) from Burden matrix weighted by I-State 2D matrix-based descriptors809 SpAbs_B(s) graph energy from Burden matrix weighted by I-State 2D matrix-based descriptors810 SpPos_B(s) spectral positive sum from Burden matrix weighted by I-State 2D matrix-based descriptors811 SpPosA_B(s) normalized spectral positive sum from Burden matrix weighted by I-State 2D matrix-based descriptors812 SpPosLog_B(s) logarithmic spectral positive sum from Burden matrix weighted by I-State 2D matrix-based descriptors813 SpMax_B(s) leading eigenvalue from Burden matrix weighted by I-State 2D matrix-based descriptors814 SpMaxA_B(s) normalized leading eigenvalue from Burden matrix weighted by I-State 2D matrix-based descriptors815 SpDiam_B(s) spectral diameter from Burden matrix weighted by I-State 2D matrix-based descriptors816 SpAD_B(s) spectral absolute deviation from Burden matrix weighted by I-State 2D matrix-based descriptors817 SpMAD_B(s) spectral mean absolute deviation from Burden matrix weighted by I-State 2D matrix-based descriptors818 Ho_B(s) Hosoya-like index (log function) from Burden matrix weighted by I-State 2D matrix-based descriptors819 EE_B(s) Estrada-like index (log function) from Burden matrix weighted by I-State 2D matrix-based descriptors820 SM1_B(s) spectral moment of order 1 from Burden matrix weighted by I-State 2D matrix-based descriptors821 SM2_B(s) spectral moment of order 2 from Burden matrix weighted by I-State 2D matrix-based descriptors822 SM3_B(s) spectral moment of order 3 from Burden matrix weighted by I-State 2D matrix-based descriptors823 SM4_B(s) spectral moment of order 4 from Burden matrix weighted by I-State 2D matrix-based descriptors824 SM5_B(s) spectral moment of order 5 from Burden matrix weighted by I-State 2D matrix-based descriptors825 SM6_B(s) spectral moment of order 6 from Burden matrix weighted by I-State 2D matrix-based descriptors826 VE1_B(s) coefficient sum of the last eigenvector from Burden matrix weighted by I-State 2D matrix-based descriptors827 VE2_B(s) average coefficient of the last eigenvector from Burden matrix weighted by I-State 2D matrix-based descriptors828 VE3_B(s) logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by I-State 2D matrix-based descriptors829 VR1_B(s) Randic-like eigenvector-based index from Burden matrix weighted by I-State 2D matrix-based descriptors830 VR2_B(s) normalized Randic-like eigenvector-based index from Burden matrix weighted by I-State 2D matrix-based descriptors831 VR3_B(s) logarithmic Randic-like eigenvector-based index from Burden matrix weighted by I-State 2D matrix-based descriptors832 ATS1m Broto-Moreau autocorrelation of lag 1 (log function) weighted by mass 2D autocorrelations833 ATS2m Broto-Moreau autocorrelation of lag 2 (log function) weighted by mass 2D autocorrelations834 ATS3m Broto-Moreau autocorrelation of lag 3 (log function) weighted by mass 2D autocorrelations835 ATS4m Broto-Moreau autocorrelation of lag 4 (log function) weighted by mass 2D autocorrelations836 ATS5m Broto-Moreau autocorrelation of lag 5 (log function) weighted by mass 2D autocorrelations837 ATS6m Broto-Moreau autocorrelation of lag 6 (log function) weighted by mass 2D autocorrelations838 ATS7m Broto-Moreau autocorrelation of lag 7 (log function) weighted by mass 2D autocorrelations839 ATS8m Broto-Moreau autocorrelation of lag 8 (log function) weighted by mass 2D autocorrelations840 ATS1v Broto-Moreau autocorrelation of lag 1 (log function) weighted by van der Waals volume 2D autocorrelations841 ATS2v Broto-Moreau autocorrelation of lag 2 (log function) weighted by van der Waals volume 2D autocorrelations842 ATS3v Broto-Moreau autocorrelation of lag 3 (log function) weighted by van der Waals volume 2D autocorrelations843 ATS4v Broto-Moreau autocorrelation of lag 4 (log function) weighted by van der Waals volume 2D autocorrelations844 ATS5v Broto-Moreau autocorrelation of lag 5 (log function) weighted by van der Waals volume 2D autocorrelations845 ATS6v Broto-Moreau autocorrelation of lag 6 (log function) weighted by van der Waals volume 2D autocorrelations846 ATS7v Broto-Moreau autocorrelation of lag 7 (log function) weighted by van der Waals volume 2D autocorrelations847 ATS8v Broto-Moreau autocorrelation of lag 8 (log function) weighted by van der Waals volume 2D autocorrelations848 ATS1e Broto-Moreau autocorrelation of lag 1 (log function) weighted by Sanderson electronegativity 2D autocorrelations849 ATS2e Broto-Moreau autocorrelation of lag 2 (log function) weighted by Sanderson electronegativity 2D autocorrelations850 ATS3e Broto-Moreau autocorrelation of lag 3 (log function) weighted by Sanderson electronegativity 2D autocorrelations851 ATS4e Broto-Moreau autocorrelation of lag 4 (log function) weighted by Sanderson electronegativity 2D autocorrelations852 ATS5e Broto-Moreau autocorrelation of lag 5 (log function) weighted by Sanderson electronegativity 2D autocorrelations853 ATS6e Broto-Moreau autocorrelation of lag 6 (log function) weighted by Sanderson electronegativity 2D autocorrelations854 ATS7e Broto-Moreau autocorrelation of lag 7 (log function) weighted by Sanderson electronegativity 2D autocorrelations855 ATS8e Broto-Moreau autocorrelation of lag 8 (log function) weighted by Sanderson electronegativity 2D autocorrelations856 ATS1p Broto-Moreau autocorrelation of lag 1 (log function) weighted by polarizability 2D autocorrelations857 ATS2p Broto-Moreau autocorrelation of lag 2 (log function) weighted by polarizability 2D autocorrelations858 ATS3p Broto-Moreau autocorrelation of lag 3 (log function) weighted by polarizability 2D autocorrelations859 ATS4p Broto-Moreau autocorrelation of lag 4 (log function) weighted by polarizability 2D autocorrelations860 ATS5p Broto-Moreau autocorrelation of lag 5 (log function) weighted by polarizability 2D autocorrelations

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861 ATS6p Broto-Moreau autocorrelation of lag 6 (log function) weighted by polarizability 2D autocorrelations862 ATS7p Broto-Moreau autocorrelation of lag 7 (log function) weighted by polarizability 2D autocorrelations863 ATS8p Broto-Moreau autocorrelation of lag 8 (log function) weighted by polarizability 2D autocorrelations864 ATS1i Broto-Moreau autocorrelation of lag 1 (log function) weighted by ionization potential 2D autocorrelations865 ATS2i Broto-Moreau autocorrelation of lag 2 (log function) weighted by ionization potential 2D autocorrelations866 ATS3i Broto-Moreau autocorrelation of lag 3 (log function) weighted by ionization potential 2D autocorrelations867 ATS4i Broto-Moreau autocorrelation of lag 4 (log function) weighted by ionization potential 2D autocorrelations868 ATS5i Broto-Moreau autocorrelation of lag 5 (log function) weighted by ionization potential 2D autocorrelations869 ATS6i Broto-Moreau autocorrelation of lag 6 (log function) weighted by ionization potential 2D autocorrelations870 ATS7i Broto-Moreau autocorrelation of lag 7 (log function) weighted by ionization potential 2D autocorrelations871 ATS8i Broto-Moreau autocorrelation of lag 8 (log function) weighted by ionization potential 2D autocorrelations872 ATS1s Broto-Moreau autocorrelation of lag 1 (log function) weighted by I-state 2D autocorrelations873 ATS2s Broto-Moreau autocorrelation of lag 2 (log function) weighted by I-state 2D autocorrelations874 ATS3s Broto-Moreau autocorrelation of lag 3 (log function) weighted by I-state 2D autocorrelations875 ATS4s Broto-Moreau autocorrelation of lag 4 (log function) weighted by I-state 2D autocorrelations876 ATS5s Broto-Moreau autocorrelation of lag 5 (log function) weighted by I-state 2D autocorrelations877 ATS6s Broto-Moreau autocorrelation of lag 6 (log function) weighted by I-state 2D autocorrelations878 ATS7s Broto-Moreau autocorrelation of lag 7 (log function) weighted by I-state 2D autocorrelations879 ATS8s Broto-Moreau autocorrelation of lag 8 (log function) weighted by I-state 2D autocorrelations880 ATSC1m Centred Broto-Moreau autocorrelation of lag 1 weighted by mass 2D autocorrelations881 ATSC2m Centred Broto-Moreau autocorrelation of lag 2 weighted by mass 2D autocorrelations882 ATSC3m Centred Broto-Moreau autocorrelation of lag 3 weighted by mass 2D autocorrelations883 ATSC4m Centred Broto-Moreau autocorrelation of lag 4 weighted by mass 2D autocorrelations884 ATSC5m Centred Broto-Moreau autocorrelation of lag 5 weighted by mass 2D autocorrelations885 ATSC6m Centred Broto-Moreau autocorrelation of lag 6 weighted by mass 2D autocorrelations886 ATSC7m Centred Broto-Moreau autocorrelation of lag 7 weighted by mass 2D autocorrelations887 ATSC8m Centred Broto-Moreau autocorrelation of lag 8 weighted by mass 2D autocorrelations888 ATSC1v Centred Broto-Moreau autocorrelation of lag 1 weighted by van der Waals volume 2D autocorrelations889 ATSC2v Centred Broto-Moreau autocorrelation of lag 2 weighted by van der Waals volume 2D autocorrelations890 ATSC3v Centred Broto-Moreau autocorrelation of lag 3 weighted by van der Waals volume 2D autocorrelations891 ATSC4v Centred Broto-Moreau autocorrelation of lag 4 weighted by van der Waals volume 2D autocorrelations892 ATSC5v Centred Broto-Moreau autocorrelation of lag 5 weighted by van der Waals volume 2D autocorrelations893 ATSC6v Centred Broto-Moreau autocorrelation of lag 6 weighted by van der Waals volume 2D autocorrelations894 ATSC7v Centred Broto-Moreau autocorrelation of lag 7 weighted by van der Waals volume 2D autocorrelations895 ATSC8v Centred Broto-Moreau autocorrelation of lag 8 weighted by van der Waals volume 2D autocorrelations896 ATSC1e Centred Broto-Moreau autocorrelation of lag 1 weighted by Sanderson electronegativity 2D autocorrelations897 ATSC2e Centred Broto-Moreau autocorrelation of lag 2 weighted by Sanderson electronegativity 2D autocorrelations898 ATSC3e Centred Broto-Moreau autocorrelation of lag 3 weighted by Sanderson electronegativity 2D autocorrelations899 ATSC4e Centred Broto-Moreau autocorrelation of lag 4 weighted by Sanderson electronegativity 2D autocorrelations900 ATSC5e Centred Broto-Moreau autocorrelation of lag 5 weighted by Sanderson electronegativity 2D autocorrelations901 ATSC6e Centred Broto-Moreau autocorrelation of lag 6 weighted by Sanderson electronegativity 2D autocorrelations902 ATSC7e Centred Broto-Moreau autocorrelation of lag 7 weighted by Sanderson electronegativity 2D autocorrelations903 ATSC8e Centred Broto-Moreau autocorrelation of lag 8 weighted by Sanderson electronegativity 2D autocorrelations904 ATSC1p Centred Broto-Moreau autocorrelation of lag 1 weighted by polarizability 2D autocorrelations905 ATSC2p Centred Broto-Moreau autocorrelation of lag 2 weighted by polarizability 2D autocorrelations906 ATSC3p Centred Broto-Moreau autocorrelation of lag 3 weighted by polarizability 2D autocorrelations907 ATSC4p Centred Broto-Moreau autocorrelation of lag 4 weighted by polarizability 2D autocorrelations908 ATSC5p Centred Broto-Moreau autocorrelation of lag 5 weighted by polarizability 2D autocorrelations909 ATSC6p Centred Broto-Moreau autocorrelation of lag 6 weighted by polarizability 2D autocorrelations910 ATSC7p Centred Broto-Moreau autocorrelation of lag 7 weighted by polarizability 2D autocorrelations911 ATSC8p Centred Broto-Moreau autocorrelation of lag 8 weighted by polarizability 2D autocorrelations912 ATSC1i Centred Broto-Moreau autocorrelation of lag 1 weighted by ionization potential 2D autocorrelations913 ATSC2i Centred Broto-Moreau autocorrelation of lag 2 weighted by ionization potential 2D autocorrelations914 ATSC3i Centred Broto-Moreau autocorrelation of lag 3 weighted by ionization potential 2D autocorrelations915 ATSC4i Centred Broto-Moreau autocorrelation of lag 4 weighted by ionization potential 2D autocorrelations916 ATSC5i Centred Broto-Moreau autocorrelation of lag 5 weighted by ionization potential 2D autocorrelations917 ATSC6i Centred Broto-Moreau autocorrelation of lag 6 weighted by ionization potential 2D autocorrelations918 ATSC7i Centred Broto-Moreau autocorrelation of lag 7 weighted by ionization potential 2D autocorrelations919 ATSC8i Centred Broto-Moreau autocorrelation of lag 8 weighted by ionization potential 2D autocorrelations920 ATSC1s Centred Broto-Moreau autocorrelation of lag 1 weighted by I-state 2D autocorrelations921 ATSC2s Centred Broto-Moreau autocorrelation of lag 2 weighted by I-state 2D autocorrelations922 ATSC3s Centred Broto-Moreau autocorrelation of lag 3 weighted by I-state 2D autocorrelations923 ATSC4s Centred Broto-Moreau autocorrelation of lag 4 weighted by I-state 2D autocorrelations924 ATSC5s Centred Broto-Moreau autocorrelation of lag 5 weighted by I-state 2D autocorrelations925 ATSC6s Centred Broto-Moreau autocorrelation of lag 6 weighted by I-state 2D autocorrelations926 ATSC7s Centred Broto-Moreau autocorrelation of lag 7 weighted by I-state 2D autocorrelations927 ATSC8s Centred Broto-Moreau autocorrelation of lag 8 weighted by I-state 2D autocorrelations928 MATS1m Moran autocorrelation of lag 1 weighted by mass 2D autocorrelations929 MATS2m Moran autocorrelation of lag 2 weighted by mass 2D autocorrelations930 MATS3m Moran autocorrelation of lag 3 weighted by mass 2D autocorrelations931 MATS4m Moran autocorrelation of lag 4 weighted by mass 2D autocorrelations932 MATS5m Moran autocorrelation of lag 5 weighted by mass 2D autocorrelations933 MATS6m Moran autocorrelation of lag 6 weighted by mass 2D autocorrelations934 MATS7m Moran autocorrelation of lag 7 weighted by mass 2D autocorrelations935 MATS8m Moran autocorrelation of lag 8 weighted by mass 2D autocorrelations936 MATS1v Moran autocorrelation of lag 1 weighted by van der Waals volume 2D autocorrelations937 MATS2v Moran autocorrelation of lag 2 weighted by van der Waals volume 2D autocorrelations938 MATS3v Moran autocorrelation of lag 3 weighted by van der Waals volume 2D autocorrelations939 MATS4v Moran autocorrelation of lag 4 weighted by van der Waals volume 2D autocorrelations940 MATS5v Moran autocorrelation of lag 5 weighted by van der Waals volume 2D autocorrelations941 MATS6v Moran autocorrelation of lag 6 weighted by van der Waals volume 2D autocorrelations942 MATS7v Moran autocorrelation of lag 7 weighted by van der Waals volume 2D autocorrelations943 MATS8v Moran autocorrelation of lag 8 weighted by van der Waals volume 2D autocorrelations944 MATS1e Moran autocorrelation of lag 1 weighted by Sanderson electronegativity 2D autocorrelations945 MATS2e Moran autocorrelation of lag 2 weighted by Sanderson electronegativity 2D autocorrelations946 MATS3e Moran autocorrelation of lag 3 weighted by Sanderson electronegativity 2D autocorrelations947 MATS4e Moran autocorrelation of lag 4 weighted by Sanderson electronegativity 2D autocorrelations948 MATS5e Moran autocorrelation of lag 5 weighted by Sanderson electronegativity 2D autocorrelations949 MATS6e Moran autocorrelation of lag 6 weighted by Sanderson electronegativity 2D autocorrelations950 MATS7e Moran autocorrelation of lag 7 weighted by Sanderson electronegativity 2D autocorrelations951 MATS8e Moran autocorrelation of lag 8 weighted by Sanderson electronegativity 2D autocorrelations952 MATS1p Moran autocorrelation of lag 1 weighted by polarizability 2D autocorrelations953 MATS2p Moran autocorrelation of lag 2 weighted by polarizability 2D autocorrelations954 MATS3p Moran autocorrelation of lag 3 weighted by polarizability 2D autocorrelations955 MATS4p Moran autocorrelation of lag 4 weighted by polarizability 2D autocorrelations956 MATS5p Moran autocorrelation of lag 5 weighted by polarizability 2D autocorrelations

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957 MATS6p Moran autocorrelation of lag 6 weighted by polarizability 2D autocorrelations958 MATS7p Moran autocorrelation of lag 7 weighted by polarizability 2D autocorrelations959 MATS8p Moran autocorrelation of lag 8 weighted by polarizability 2D autocorrelations960 MATS1i Moran autocorrelation of lag 1 weighted by ionization potential 2D autocorrelations961 MATS2i Moran autocorrelation of lag 2 weighted by ionization potential 2D autocorrelations962 MATS3i Moran autocorrelation of lag 3 weighted by ionization potential 2D autocorrelations963 MATS4i Moran autocorrelation of lag 4 weighted by ionization potential 2D autocorrelations964 MATS5i Moran autocorrelation of lag 5 weighted by ionization potential 2D autocorrelations965 MATS6i Moran autocorrelation of lag 6 weighted by ionization potential 2D autocorrelations966 MATS7i Moran autocorrelation of lag 7 weighted by ionization potential 2D autocorrelations967 MATS8i Moran autocorrelation of lag 8 weighted by ionization potential 2D autocorrelations968 MATS1s Moran autocorrelation of lag 1 weighted by I-state 2D autocorrelations969 MATS2s Moran autocorrelation of lag 2 weighted by I-state 2D autocorrelations970 MATS3s Moran autocorrelation of lag 3 weighted by I-state 2D autocorrelations971 MATS4s Moran autocorrelation of lag 4 weighted by I-state 2D autocorrelations972 MATS5s Moran autocorrelation of lag 5 weighted by I-state 2D autocorrelations973 MATS6s Moran autocorrelation of lag 6 weighted by I-state 2D autocorrelations974 MATS7s Moran autocorrelation of lag 7 weighted by I-state 2D autocorrelations975 MATS8s Moran autocorrelation of lag 8 weighted by I-state 2D autocorrelations976 GATS1m Geary autocorrelation of lag 1 weighted by mass 2D autocorrelations977 GATS2m Geary autocorrelation of lag 2 weighted by mass 2D autocorrelations978 GATS3m Geary autocorrelation of lag 3 weighted by mass 2D autocorrelations979 GATS4m Geary autocorrelation of lag 4 weighted by mass 2D autocorrelations980 GATS5m Geary autocorrelation of lag 5 weighted by mass 2D autocorrelations981 GATS6m Geary autocorrelation of lag 6 weighted by mass 2D autocorrelations982 GATS7m Geary autocorrelation of lag 7 weighted by mass 2D autocorrelations983 GATS8m Geary autocorrelation of lag 8 weighted by mass 2D autocorrelations984 GATS1v Geary autocorrelation of lag 1 weighted by van der Waals volume 2D autocorrelations985 GATS2v Geary autocorrelation of lag 2 weighted by van der Waals volume 2D autocorrelations986 GATS3v Geary autocorrelation of lag 3 weighted by van der Waals volume 2D autocorrelations987 GATS4v Geary autocorrelation of lag 4 weighted by van der Waals volume 2D autocorrelations988 GATS5v Geary autocorrelation of lag 5 weighted by van der Waals volume 2D autocorrelations989 GATS6v Geary autocorrelation of lag 6 weighted by van der Waals volume 2D autocorrelations990 GATS7v Geary autocorrelation of lag 7 weighted by van der Waals volume 2D autocorrelations991 GATS8v Geary autocorrelation of lag 8 weighted by van der Waals volume 2D autocorrelations992 GATS1e Geary autocorrelation of lag 1 weighted by Sanderson electronegativity 2D autocorrelations993 GATS2e Geary autocorrelation of lag 2 weighted by Sanderson electronegativity 2D autocorrelations994 GATS3e Geary autocorrelation of lag 3 weighted by Sanderson electronegativity 2D autocorrelations995 GATS4e Geary autocorrelation of lag 4 weighted by Sanderson electronegativity 2D autocorrelations996 GATS5e Geary autocorrelation of lag 5 weighted by Sanderson electronegativity 2D autocorrelations997 GATS6e Geary autocorrelation of lag 6 weighted by Sanderson electronegativity 2D autocorrelations998 GATS7e Geary autocorrelation of lag 7 weighted by Sanderson electronegativity 2D autocorrelations999 GATS8e Geary autocorrelation of lag 8 weighted by Sanderson electronegativity 2D autocorrelations1000 GATS1p Geary autocorrelation of lag 1 weighted by polarizability 2D autocorrelations1001 GATS2p Geary autocorrelation of lag 2 weighted by polarizability 2D autocorrelations1002 GATS3p Geary autocorrelation of lag 3 weighted by polarizability 2D autocorrelations1003 GATS4p Geary autocorrelation of lag 4 weighted by polarizability 2D autocorrelations1004 GATS5p Geary autocorrelation of lag 5 weighted by polarizability 2D autocorrelations1005 GATS6p Geary autocorrelation of lag 6 weighted by polarizability 2D autocorrelations1006 GATS7p Geary autocorrelation of lag 7 weighted by polarizability 2D autocorrelations1007 GATS8p Geary autocorrelation of lag 8 weighted by polarizability 2D autocorrelations1008 GATS1i Geary autocorrelation of lag 1 weighted by ionization potential 2D autocorrelations1009 GATS2i Geary autocorrelation of lag 2 weighted by ionization potential 2D autocorrelations1010 GATS3i Geary autocorrelation of lag 3 weighted by ionization potential 2D autocorrelations1011 GATS4i Geary autocorrelation of lag 4 weighted by ionization potential 2D autocorrelations1012 GATS5i Geary autocorrelation of lag 5 weighted by ionization potential 2D autocorrelations1013 GATS6i Geary autocorrelation of lag 6 weighted by ionization potential 2D autocorrelations1014 GATS7i Geary autocorrelation of lag 7 weighted by ionization potential 2D autocorrelations1015 GATS8i Geary autocorrelation of lag 8 weighted by ionization potential 2D autocorrelations1016 GATS1s Geary autocorrelation of lag 1 weighted by I-state 2D autocorrelations1017 GATS2s Geary autocorrelation of lag 2 weighted by I-state 2D autocorrelations1018 GATS3s Geary autocorrelation of lag 3 weighted by I-state 2D autocorrelations1019 GATS4s Geary autocorrelation of lag 4 weighted by I-state 2D autocorrelations1020 GATS5s Geary autocorrelation of lag 5 weighted by I-state 2D autocorrelations1021 GATS6s Geary autocorrelation of lag 6 weighted by I-state 2D autocorrelations1022 GATS7s Geary autocorrelation of lag 7 weighted by I-state 2D autocorrelations1023 GATS8s Geary autocorrelation of lag 8 weighted by I-state 2D autocorrelations1024 GGI1 topological charge index of order 1 2D autocorrelations1025 GGI2 topological charge index of order 2 2D autocorrelations1026 GGI3 topological charge index of order 3 2D autocorrelations1027 GGI4 topological charge index of order 4 2D autocorrelations1028 GGI5 topological charge index of order 5 2D autocorrelations1029 GGI6 topological charge index of order 6 2D autocorrelations1030 GGI7 topological charge index of order 7 2D autocorrelations1031 GGI8 topological charge index of order 8 2D autocorrelations1032 GGI9 topological charge index of order 9 2D autocorrelations1033 GGI10 topological charge index of order 10 2D autocorrelations1034 JGI1 mean topological charge index of order 1 2D autocorrelations1035 JGI2 mean topological charge index of order 2 2D autocorrelations1036 JGI3 mean topological charge index of order 3 2D autocorrelations1037 JGI4 mean topological charge index of order 4 2D autocorrelations1038 JGI5 mean topological charge index of order 5 2D autocorrelations1039 JGI6 mean topological charge index of order 6 2D autocorrelations1040 JGI7 mean topological charge index of order 7 2D autocorrelations1041 JGI8 mean topological charge index of order 8 2D autocorrelations1042 JGI9 mean topological charge index of order 9 2D autocorrelations1043 JGI10 mean topological charge index of order 10 2D autocorrelations1044 JGT global topological charge index 2D autocorrelations1045 SpMax1_Bh(m) largest eigenvalue n. 1 of Burden matrix weighted by mass Burden eigenvalues1046 SpMax2_Bh(m) largest eigenvalue n. 2 of Burden matrix weighted by mass Burden eigenvalues1047 SpMax3_Bh(m) largest eigenvalue n. 3 of Burden matrix weighted by mass Burden eigenvalues1048 SpMax4_Bh(m) largest eigenvalue n. 4 of Burden matrix weighted by mass Burden eigenvalues1049 SpMax5_Bh(m) largest eigenvalue n. 5 of Burden matrix weighted by mass Burden eigenvalues1050 SpMax6_Bh(m) largest eigenvalue n. 6 of Burden matrix weighted by mass Burden eigenvalues1051 SpMax7_Bh(m) largest eigenvalue n. 7 of Burden matrix weighted by mass Burden eigenvalues1052 SpMax8_Bh(m) largest eigenvalue n. 8 of Burden matrix weighted by mass Burden eigenvalues

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1053 SpMax1_Bh(v) largest eigenvalue n. 1 of Burden matrix weighted by van der Waals volume Burden eigenvalues1054 SpMax2_Bh(v) largest eigenvalue n. 2 of Burden matrix weighted by van der Waals volume Burden eigenvalues1055 SpMax3_Bh(v) largest eigenvalue n. 3 of Burden matrix weighted by van der Waals volume Burden eigenvalues1056 SpMax4_Bh(v) largest eigenvalue n. 4 of Burden matrix weighted by van der Waals volume Burden eigenvalues1057 SpMax5_Bh(v) largest eigenvalue n. 5 of Burden matrix weighted by van der Waals volume Burden eigenvalues1058 SpMax6_Bh(v) largest eigenvalue n. 6 of Burden matrix weighted by van der Waals volume Burden eigenvalues1059 SpMax7_Bh(v) largest eigenvalue n. 7 of Burden matrix weighted by van der Waals volume Burden eigenvalues1060 SpMax8_Bh(v) largest eigenvalue n. 8 of Burden matrix weighted by van der Waals volume Burden eigenvalues1061 SpMax1_Bh(e) largest eigenvalue n. 1 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1062 SpMax2_Bh(e) largest eigenvalue n. 2 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1063 SpMax3_Bh(e) largest eigenvalue n. 3 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1064 SpMax4_Bh(e) largest eigenvalue n. 4 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1065 SpMax5_Bh(e) largest eigenvalue n. 5 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1066 SpMax6_Bh(e) largest eigenvalue n. 6 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1067 SpMax7_Bh(e) largest eigenvalue n. 7 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1068 SpMax8_Bh(e) largest eigenvalue n. 8 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1069 SpMax1_Bh(p) largest eigenvalue n. 1 of Burden matrix weighted by polarizability Burden eigenvalues1070 SpMax2_Bh(p) largest eigenvalue n. 2 of Burden matrix weighted by polarizability Burden eigenvalues1071 SpMax3_Bh(p) largest eigenvalue n. 3 of Burden matrix weighted by polarizability Burden eigenvalues1072 SpMax4_Bh(p) largest eigenvalue n. 4 of Burden matrix weighted by polarizability Burden eigenvalues1073 SpMax5_Bh(p) largest eigenvalue n. 5 of Burden matrix weighted by polarizability Burden eigenvalues1074 SpMax6_Bh(p) largest eigenvalue n. 6 of Burden matrix weighted by polarizability Burden eigenvalues1075 SpMax7_Bh(p) largest eigenvalue n. 7 of Burden matrix weighted by polarizability Burden eigenvalues1076 SpMax8_Bh(p) largest eigenvalue n. 8 of Burden matrix weighted by polarizability Burden eigenvalues1077 SpMax1_Bh(i) largest eigenvalue n. 1 of Burden matrix weighted by ionization potential Burden eigenvalues1078 SpMax2_Bh(i) largest eigenvalue n. 2 of Burden matrix weighted by ionization potential Burden eigenvalues1079 SpMax3_Bh(i) largest eigenvalue n. 3 of Burden matrix weighted by ionization potential Burden eigenvalues1080 SpMax4_Bh(i) largest eigenvalue n. 4 of Burden matrix weighted by ionization potential Burden eigenvalues1081 SpMax5_Bh(i) largest eigenvalue n. 5 of Burden matrix weighted by ionization potential Burden eigenvalues1082 SpMax6_Bh(i) largest eigenvalue n. 6 of Burden matrix weighted by ionization potential Burden eigenvalues1083 SpMax7_Bh(i) largest eigenvalue n. 7 of Burden matrix weighted by ionization potential Burden eigenvalues1084 SpMax8_Bh(i) largest eigenvalue n. 8 of Burden matrix weighted by ionization potential Burden eigenvalues1085 SpMax1_Bh(s) largest eigenvalue n. 1 of Burden matrix weighted by I-state Burden eigenvalues1086 SpMax2_Bh(s) largest eigenvalue n. 2 of Burden matrix weighted by I-state Burden eigenvalues1087 SpMax3_Bh(s) largest eigenvalue n. 3 of Burden matrix weighted by I-state Burden eigenvalues1088 SpMax4_Bh(s) largest eigenvalue n. 4 of Burden matrix weighted by I-state Burden eigenvalues1089 SpMax5_Bh(s) largest eigenvalue n. 5 of Burden matrix weighted by I-state Burden eigenvalues1090 SpMax6_Bh(s) largest eigenvalue n. 6 of Burden matrix weighted by I-state Burden eigenvalues1091 SpMax7_Bh(s) largest eigenvalue n. 7 of Burden matrix weighted by I-state Burden eigenvalues1092 SpMax8_Bh(s) largest eigenvalue n. 8 of Burden matrix weighted by I-state Burden eigenvalues1093 SpMin1_Bh(m) smallest eigenvalue n. 1 of Burden matrix weighted by mass Burden eigenvalues1094 SpMin2_Bh(m) smallest eigenvalue n. 2 of Burden matrix weighted by mass Burden eigenvalues1095 SpMin3_Bh(m) smallest eigenvalue n. 3 of Burden matrix weighted by mass Burden eigenvalues1096 SpMin4_Bh(m) smallest eigenvalue n. 4 of Burden matrix weighted by mass Burden eigenvalues1097 SpMin5_Bh(m) smallest eigenvalue n. 5 of Burden matrix weighted by mass Burden eigenvalues1098 SpMin6_Bh(m) smallest eigenvalue n. 6 of Burden matrix weighted by mass Burden eigenvalues1099 SpMin7_Bh(m) smallest eigenvalue n. 7 of Burden matrix weighted by mass Burden eigenvalues1100 SpMin8_Bh(m) smallest eigenvalue n. 8 of Burden matrix weighted by mass Burden eigenvalues1101 SpMin1_Bh(v) smallest eigenvalue n. 1 of Burden matrix weighted by van der Waals volume Burden eigenvalues1102 SpMin2_Bh(v) smallest eigenvalue n. 2 of Burden matrix weighted by van der Waals volume Burden eigenvalues1103 SpMin3_Bh(v) smallest eigenvalue n. 3 of Burden matrix weighted by van der Waals volume Burden eigenvalues1104 SpMin4_Bh(v) smallest eigenvalue n. 4 of Burden matrix weighted by van der Waals volume Burden eigenvalues1105 SpMin5_Bh(v) smallest eigenvalue n. 5 of Burden matrix weighted by van der Waals volume Burden eigenvalues1106 SpMin6_Bh(v) smallest eigenvalue n. 6 of Burden matrix weighted by van der Waals volume Burden eigenvalues1107 SpMin7_Bh(v) smallest eigenvalue n. 7 of Burden matrix weighted by van der Waals volume Burden eigenvalues1108 SpMin8_Bh(v) smallest eigenvalue n. 8 of Burden matrix weighted by van der Waals volume Burden eigenvalues1109 SpMin1_Bh(e) smallest eigenvalue n. 1 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1110 SpMin2_Bh(e) smallest eigenvalue n. 2 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1111 SpMin3_Bh(e) smallest eigenvalue n. 3 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1112 SpMin4_Bh(e) smallest eigenvalue n. 4 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1113 SpMin5_Bh(e) smallest eigenvalue n. 5 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1114 SpMin6_Bh(e) smallest eigenvalue n. 6 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1115 SpMin7_Bh(e) smallest eigenvalue n. 7 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1116 SpMin8_Bh(e) smallest eigenvalue n. 8 of Burden matrix weighted by Sanderson electronegativity Burden eigenvalues1117 SpMin1_Bh(p) smallest eigenvalue n. 1 of Burden matrix weighted by polarizability Burden eigenvalues1118 SpMin2_Bh(p) smallest eigenvalue n. 2 of Burden matrix weighted by polarizability Burden eigenvalues1119 SpMin3_Bh(p) smallest eigenvalue n. 3 of Burden matrix weighted by polarizability Burden eigenvalues1120 SpMin4_Bh(p) smallest eigenvalue n. 4 of Burden matrix weighted by polarizability Burden eigenvalues1121 SpMin5_Bh(p) smallest eigenvalue n. 5 of Burden matrix weighted by polarizability Burden eigenvalues1122 SpMin6_Bh(p) smallest eigenvalue n. 6 of Burden matrix weighted by polarizability Burden eigenvalues1123 SpMin7_Bh(p) smallest eigenvalue n. 7 of Burden matrix weighted by polarizability Burden eigenvalues1124 SpMin8_Bh(p) smallest eigenvalue n. 8 of Burden matrix weighted by polarizability Burden eigenvalues1125 SpMin1_Bh(i) smallest eigenvalue n. 1 of Burden matrix weighted by ionization potential Burden eigenvalues1126 SpMin2_Bh(i) smallest eigenvalue n. 2 of Burden matrix weighted by ionization potential Burden eigenvalues1127 SpMin3_Bh(i) smallest eigenvalue n. 3 of Burden matrix weighted by ionization potential Burden eigenvalues1128 SpMin4_Bh(i) smallest eigenvalue n. 4 of Burden matrix weighted by ionization potential Burden eigenvalues1129 SpMin5_Bh(i) smallest eigenvalue n. 5 of Burden matrix weighted by ionization potential Burden eigenvalues1130 SpMin6_Bh(i) smallest eigenvalue n. 6 of Burden matrix weighted by ionization potential Burden eigenvalues1131 SpMin7_Bh(i) smallest eigenvalue n. 7 of Burden matrix weighted by ionization potential Burden eigenvalues1132 SpMin8_Bh(i) smallest eigenvalue n. 8 of Burden matrix weighted by ionization potential Burden eigenvalues1133 SpMin1_Bh(s) smallest eigenvalue n. 1 of Burden matrix weighted by I-state Burden eigenvalues1134 SpMin2_Bh(s) smallest eigenvalue n. 2 of Burden matrix weighted by I-state Burden eigenvalues1135 SpMin3_Bh(s) smallest eigenvalue n. 3 of Burden matrix weighted by I-state Burden eigenvalues1136 SpMin4_Bh(s) smallest eigenvalue n. 4 of Burden matrix weighted by I-state Burden eigenvalues1137 SpMin5_Bh(s) smallest eigenvalue n. 5 of Burden matrix weighted by I-state Burden eigenvalues1138 SpMin6_Bh(s) smallest eigenvalue n. 6 of Burden matrix weighted by I-state Burden eigenvalues1139 SpMin7_Bh(s) smallest eigenvalue n. 7 of Burden matrix weighted by I-state Burden eigenvalues1140 SpMin8_Bh(s) smallest eigenvalue n. 8 of Burden matrix weighted by I-state Burden eigenvalues1141 P_VSA_LogP_1 P_VSA-like on LogP, bin 1 P_VSA-like descriptors1142 P_VSA_LogP_2 P_VSA-like on LogP, bin 2 P_VSA-like descriptors1143 P_VSA_LogP_3 P_VSA-like on LogP, bin 3 P_VSA-like descriptors1144 P_VSA_LogP_4 P_VSA-like on LogP, bin 4 P_VSA-like descriptors1145 P_VSA_LogP_5 P_VSA-like on LogP, bin 5 P_VSA-like descriptors1146 P_VSA_LogP_6 P_VSA-like on LogP, bin 6 P_VSA-like descriptors1147 P_VSA_LogP_7 P_VSA-like on LogP, bin 7 P_VSA-like descriptors1148 P_VSA_LogP_8 P_VSA-like on LogP, bin 8 P_VSA-like descriptors

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1149 P_VSA_MR_1 P_VSA-like on Molar Refractivity, bin 1 P_VSA-like descriptors1150 P_VSA_MR_2 P_VSA-like on Molar Refractivity, bin 2 P_VSA-like descriptors1151 P_VSA_MR_3 P_VSA-like on Molar Refractivity, bin 3 P_VSA-like descriptors1152 P_VSA_MR_4 P_VSA-like on Molar Refractivity, bin 4 P_VSA-like descriptors1153 P_VSA_MR_5 P_VSA-like on Molar Refractivity, bin 5 P_VSA-like descriptors1154 P_VSA_MR_6 P_VSA-like on Molar Refractivity, bin 6 P_VSA-like descriptors1155 P_VSA_MR_7 P_VSA-like on Molar Refractivity, bin 7 P_VSA-like descriptors1156 P_VSA_MR_8 P_VSA-like on Molar Refractivity, bin 8 P_VSA-like descriptors1157 P_VSA_m_1 P_VSA-like on mass, bin 1 P_VSA-like descriptors1158 P_VSA_m_2 P_VSA-like on mass, bin 2 P_VSA-like descriptors1159 P_VSA_m_3 P_VSA-like on mass, bin 3 P_VSA-like descriptors1160 P_VSA_m_4 P_VSA-like on mass, bin 4 P_VSA-like descriptors1161 P_VSA_m_5 P_VSA-like on mass, bin 5 P_VSA-like descriptors1162 P_VSA_v_1 P_VSA-like on van der Waals volume, bin 1 P_VSA-like descriptors1163 P_VSA_v_2 P_VSA-like on van der Waals volume, bin 2 P_VSA-like descriptors1164 P_VSA_v_3 P_VSA-like on van der Waals volume, bin 3 P_VSA-like descriptors1165 P_VSA_v_4 P_VSA-like on van der Waals volume, bin 4 P_VSA-like descriptors1166 P_VSA_e_1 P_VSA-like on Sanderson electronegativity, bin 1 P_VSA-like descriptors1167 P_VSA_e_2 P_VSA-like on Sanderson electronegativity, bin 2 P_VSA-like descriptors1168 P_VSA_e_3 P_VSA-like on Sanderson electronegativity, bin 3 P_VSA-like descriptors1169 P_VSA_e_4 P_VSA-like on Sanderson electronegativity, bin 4 P_VSA-like descriptors1170 P_VSA_e_5 P_VSA-like on Sanderson electronegativity, bin 5 P_VSA-like descriptors1171 P_VSA_e_6 P_VSA-like on Sanderson electronegativity, bin 6 P_VSA-like descriptors1172 P_VSA_p_1 P_VSA-like on polarizability, bin 1 P_VSA-like descriptors1173 P_VSA_p_2 P_VSA-like on polarizability, bin 2 P_VSA-like descriptors1174 P_VSA_p_3 P_VSA-like on polarizability, bin 3 P_VSA-like descriptors1175 P_VSA_p_4 P_VSA-like on polarizability, bin 4 P_VSA-like descriptors1176 P_VSA_i_1 P_VSA-like on ionization potential, bin 1 P_VSA-like descriptors1177 P_VSA_i_2 P_VSA-like on ionization potential, bin 2 P_VSA-like descriptors1178 P_VSA_i_3 P_VSA-like on ionization potential, bin 3 P_VSA-like descriptors1179 P_VSA_i_4 P_VSA-like on ionization potential, bin 4 P_VSA-like descriptors1180 P_VSA_s_1 P_VSA-like on I-state, bin 1 P_VSA-like descriptors1181 P_VSA_s_2 P_VSA-like on I-state, bin 2 P_VSA-like descriptors1182 P_VSA_s_3 P_VSA-like on I-state, bin 3 P_VSA-like descriptors1183 P_VSA_s_4 P_VSA-like on I-state, bin 4 P_VSA-like descriptors1184 P_VSA_s_5 P_VSA-like on I-state, bin 5 P_VSA-like descriptors1185 P_VSA_s_6 P_VSA-like on I-state, bin 6 P_VSA-like descriptors1186 Eta_alpha eta core count ETA indices1187 Eta_alpha_A eta average core count ETA indices1188 Eta_epsi eta electronegativity measure ETA indices1189 Eta_epsi_A eta average electronegativity measure ETA indices1190 Eta_betaS eta sigma VEM count ETA indices1191 Eta_betaS_A eta sigma average VEM coun ETA indices1192 Eta_betaP eta pi and lone pair VEM count ETA indices1193 Eta_betaP_A eta pi and lone pair average VEM count ETA indices1194 Eta_beta eta VEM count ETA indices1195 Eta_beta_A eta average VEM count ETA indices1196 Eta_C eta composite index ETA indices1197 Eta_C_A eta average composite index ETA indices1198 Eta_L eta local composite index ETA indices1199 Eta_L_A eta average local composite index ETA indices1200 Eta_F eta functionality index ETA indices1201 Eta_F_A eta average functionality index ETA indices1202 Eta_FL eta local functionality index ETA indices1203 Eta_FL_A eta average local functionality index ETA indices1204 Eta_B eta branching index ETA indices1205 Eta_B_A eta average branching index ETA indices1206 Eta_sh_p eta p shape index ETA indices1207 Eta_sh_y eta y shape index ETA indices1208 Eta_sh_x eta x shape index ETA indices1209 SpMax_EA leading eigenvalue from edge adjacency mat. Edge adjacency indices1210 SpMaxA_EA normalized leading eigenvalue from edge adjacency mat. Edge adjacency indices1211 SpDiam_EA spectral diameter from edge adjacency mat. Edge adjacency indices1212 SpAD_EA spectral absolute deviation from edge adjacency mat. Edge adjacency indices1213 SpMAD_EA spectral mean absolute deviation from edge adjacency mat. Edge adjacency indices1214 SpMax_EA(ed) leading eigenvalue from edge adjacency mat. weighted by edge degree Edge adjacency indices1215 SpMaxA_EA(ed) normalized leading eigenvalue from edge adjacency mat. weighted by edge degree Edge adjacency indices1216 SpDiam_EA(ed) spectral diameter from edge adjacency mat. weighted by edge degree Edge adjacency indices1217 SpAD_EA(ed) spectral absolute deviation from edge adjacency mat. weighted by edge degree Edge adjacency indices1218 SpMAD_EA(ed) spectral mean absolute deviation from edge adjacency mat. weighted by edge degree Edge adjacency indices1219 SpMax_EA(bo) leading eigenvalue from edge adjacency mat. weighted by bond order Edge adjacency indices1220 SpMaxA_EA(bo) normalized leading eigenvalue from edge adjacency mat. weighted by bond order Edge adjacency indices1221 SpDiam_EA(bo) spectral diameter from edge adjacency mat. weighted by bond order Edge adjacency indices1222 SpAD_EA(bo) spectral absolute deviation from edge adjacency mat. weighted by bond order Edge adjacency indices1223 SpMAD_EA(bo) spectral mean absolute deviation from edge adjacency mat. weighted by bond order Edge adjacency indices1224 SpMax_EA(dm) leading eigenvalue from edge adjacency mat. weighted by dipole moment Edge adjacency indices1225 SpMaxA_EA(dm) normalized leading eigenvalue from edge adjacency mat. weighted by dipole moment Edge adjacency indices1226 SpDiam_EA(dm) spectral diameter from edge adjacency mat. weighted by dipole moment Edge adjacency indices1227 SpAD_EA(dm) spectral absolute deviation from edge adjacency mat. weighted by dipole moment Edge adjacency indices1228 SpMAD_EA(dm) spectral mean absolute deviation from edge adjacency mat. weighted by dipole moment Edge adjacency indices1229 SpMax_EA(ri) leading eigenvalue from edge adjacency mat. weighted by resonance integral Edge adjacency indices1230 SpMaxA_EA(ri) normalized leading eigenvalue from edge adjacency mat. weighted by resonance integral Edge adjacency indices1231 SpDiam_EA(ri) spectral diameter from edge adjacency mat. weighted by resonance integral Edge adjacency indices1232 SpAD_EA(ri) spectral absolute deviation from edge adjacency mat. weighted by resonance integral Edge adjacency indices1233 SpMAD_EA(ri) spectral mean absolute deviation from edge adjacency mat. weighted by resonance integral Edge adjacency indices1234 SpMax_AEA(ed) leading eigenvalue from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1235 SpMaxA_AEA(ed) normalized leading eigenvalue from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1236 SpDiam_AEA(ed) spectral diameter from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1237 SpAD_AEA(ed) spectral absolute deviation from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1238 SpMAD_AEA(ed) spectral mean absolute deviation from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1239 SpMax_AEA(bo) leading eigenvalue from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1240 SpMaxA_AEA(bo) normalized leading eigenvalue from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1241 SpDiam_AEA(bo) spectral diameter from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1242 SpAD_AEA(bo) spectral absolute deviation from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1243 SpMAD_AEA(bo) spectral mean absolute deviation from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1244 SpMax_AEA(dm) leading eigenvalue from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices

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1245 SpMaxA_AEA(dm) normalized leading eigenvalue from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1246 SpDiam_AEA(dm) spectral diameter from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1247 SpAD_AEA(dm) spectral absolute deviation from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1248 SpMAD_AEA(dm) spectral mean absolute deviation from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1249 SpMax_AEA(ri) leading eigenvalue from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1250 SpMaxA_AEA(ri) normalized leading eigenvalue from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1251 SpDiam_AEA(ri) spectral diameter from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1252 SpAD_AEA(ri) spectral absolute deviation from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1253 SpMAD_AEA(ri) spectral mean absolute deviation from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1254 Chi0_EA connectivity-like index of order 0 from edge adjacency mat. Edge adjacency indices1255 Chi1_EA connectivity-like index of order 1 from edge adjacency mat. Edge adjacency indices1256 Chi0_EA(ed) connectivity-like index of order 0 from edge adjacency mat. weighted by edge degree Edge adjacency indices1257 Chi1_EA(ed) connectivity-like index of order 1 from edge adjacency mat. weighted by edge degree Edge adjacency indices1258 Chi0_EA(bo) connectivity-like index of order 0 from edge adjacency mat. weighted by bond order Edge adjacency indices1259 Chi1_EA(bo) connectivity-like index of order 1 from edge adjacency mat. weighted by bond order Edge adjacency indices1260 Chi0_EA(dm) connectivity-like index of order 0 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1261 Chi1_EA(dm) connectivity-like index of order 1 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1262 Chi0_EA(ri) connectivity-like index of order 0 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1263 Chi1_EA(ri) connectivity-like index of order 1 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1264 Chi0_AEA(ed) connectivity-like index of order 0 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1265 Chi1_AEA(ed) connectivity-like index of order 1 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1266 Chi0_AEA(bo) connectivity-like index of order 0 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1267 Chi1_AEA(bo) connectivity-like index of order 1 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1268 Chi0_AEA(dm) connectivity-like index of order 0 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1269 Chi1_AEA(dm) connectivity-like index of order 1 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1270 Chi0_AEA(ri) connectivity-like index of order 0 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1271 Chi1_AEA(ri) connectivity-like index of order 1 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1272 SM02_EA spectral moment of order 2 from edge adjacency mat. Edge adjacency indices1273 SM03_EA spectral moment of order 3 from edge adjacency mat. Edge adjacency indices1274 SM04_EA spectral moment of order 4 from edge adjacency mat. Edge adjacency indices1275 SM05_EA spectral moment of order 5 from edge adjacency mat. Edge adjacency indices1276 SM06_EA spectral moment of order 6 from edge adjacency mat. Edge adjacency indices1277 SM07_EA spectral moment of order 7 from edge adjacency mat. Edge adjacency indices1278 SM08_EA spectral moment of order 8 from edge adjacency mat. Edge adjacency indices1279 SM09_EA spectral moment of order 9 from edge adjacency mat. Edge adjacency indices1280 SM10_EA spectral moment of order 10 from edge adjacency mat. Edge adjacency indices1281 SM11_EA spectral moment of order 11 from edge adjacency mat. Edge adjacency indices1282 SM12_EA spectral moment of order 12 from edge adjacency mat. Edge adjacency indices1283 SM13_EA spectral moment of order 13 from edge adjacency mat. Edge adjacency indices1284 SM14_EA spectral moment of order 14 from edge adjacency mat. Edge adjacency indices1285 SM15_EA spectral moment of order 15 from edge adjacency mat. Edge adjacency indices1286 SM02_EA(ed) spectral moment of order 2 from edge adjacency mat. weighted by edge degree Edge adjacency indices1287 SM03_EA(ed) spectral moment of order 3 from edge adjacency mat. weighted by edge degree Edge adjacency indices1288 SM04_EA(ed) spectral moment of order 4 from edge adjacency mat. weighted by edge degree Edge adjacency indices1289 SM05_EA(ed) spectral moment of order 5 from edge adjacency mat. weighted by edge degree Edge adjacency indices1290 SM06_EA(ed) spectral moment of order 6 from edge adjacency mat. weighted by edge degree Edge adjacency indices1291 SM07_EA(ed) spectral moment of order 7 from edge adjacency mat. weighted by edge degree Edge adjacency indices1292 SM08_EA(ed) spectral moment of order 8 from edge adjacency mat. weighted by edge degree Edge adjacency indices1293 SM09_EA(ed) spectral moment of order 9 from edge adjacency mat. weighted by edge degree Edge adjacency indices1294 SM10_EA(ed) spectral moment of order 10 from edge adjacency mat. weighted by edge degree Edge adjacency indices1295 SM11_EA(ed) spectral moment of order 11 from edge adjacency mat. weighted by edge degree Edge adjacency indices1296 SM12_EA(ed) spectral moment of order 12 from edge adjacency mat. weighted by edge degree Edge adjacency indices1297 SM13_EA(ed) spectral moment of order 13 from edge adjacency mat. weighted by edge degree Edge adjacency indices1298 SM14_EA(ed) spectral moment of order 14 from edge adjacency mat. weighted by edge degree Edge adjacency indices1299 SM15_EA(ed) spectral moment of order 15 from edge adjacency mat. weighted by edge degree Edge adjacency indices1300 SM02_EA(bo) spectral moment of order 2 from edge adjacency mat. weighted by bond order Edge adjacency indices1301 SM03_EA(bo) spectral moment of order 3 from edge adjacency mat. weighted by bond order Edge adjacency indices1302 SM04_EA(bo) spectral moment of order 4 from edge adjacency mat. weighted by bond order Edge adjacency indices1303 SM05_EA(bo) spectral moment of order 5 from edge adjacency mat. weighted by bond order Edge adjacency indices1304 SM06_EA(bo) spectral moment of order 6 from edge adjacency mat. weighted by bond order Edge adjacency indices1305 SM07_EA(bo) spectral moment of order 7 from edge adjacency mat. weighted by bond order Edge adjacency indices1306 SM08_EA(bo) spectral moment of order 8 from edge adjacency mat. weighted by bond order Edge adjacency indices1307 SM09_EA(bo) spectral moment of order 9 from edge adjacency mat. weighted by bond order Edge adjacency indices1308 SM10_EA(bo) spectral moment of order 10 from edge adjacency mat. weighted by bond order Edge adjacency indices1309 SM11_EA(bo) spectral moment of order 11 from edge adjacency mat. weighted by bond order Edge adjacency indices1310 SM12_EA(bo) spectral moment of order 12 from edge adjacency mat. weighted by bond order Edge adjacency indices1311 SM13_EA(bo) spectral moment of order 13 from edge adjacency mat. weighted by bond order Edge adjacency indices1312 SM14_EA(bo) spectral moment of order 14 from edge adjacency mat. weighted by bond order Edge adjacency indices1313 SM15_EA(bo) spectral moment of order 15 from edge adjacency mat. weighted by bond order Edge adjacency indices1314 SM02_EA(dm) spectral moment of order 2 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1315 SM03_EA(dm) spectral moment of order 3 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1316 SM04_EA(dm) spectral moment of order 4 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1317 SM05_EA(dm) spectral moment of order 5 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1318 SM06_EA(dm) spectral moment of order 6 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1319 SM07_EA(dm) spectral moment of order 7 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1320 SM08_EA(dm) spectral moment of order 8 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1321 SM09_EA(dm) spectral moment of order 9 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1322 SM10_EA(dm) spectral moment of order 10 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1323 SM11_EA(dm) spectral moment of order 11 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1324 SM12_EA(dm) spectral moment of order 12 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1325 SM13_EA(dm) spectral moment of order 13 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1326 SM14_EA(dm) spectral moment of order 14 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1327 SM15_EA(dm) spectral moment of order 15 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1328 SM02_EA(ri) spectral moment of order 2 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1329 SM03_EA(ri) spectral moment of order 3 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1330 SM04_EA(ri) spectral moment of order 4 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1331 SM05_EA(ri) spectral moment of order 5 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1332 SM06_EA(ri) spectral moment of order 6 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1333 SM07_EA(ri) spectral moment of order 7 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1334 SM08_EA(ri) spectral moment of order 8 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1335 SM09_EA(ri) spectral moment of order 9 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1336 SM10_EA(ri) spectral moment of order 10 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1337 SM11_EA(ri) spectral moment of order 11 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1338 SM12_EA(ri) spectral moment of order 12 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1339 SM13_EA(ri) spectral moment of order 13 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1340 SM14_EA(ri) spectral moment of order 14 from edge adjacency mat. weighted by resonance integral Edge adjacency indices

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1341 SM15_EA(ri) spectral moment of order 15 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1342 SM02_AEA(ed) spectral moment of order 2 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1343 SM03_AEA(ed) spectral moment of order 3 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1344 SM04_AEA(ed) spectral moment of order 4 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1345 SM05_AEA(ed) spectral moment of order 5 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1346 SM06_AEA(ed) spectral moment of order 6 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1347 SM07_AEA(ed) spectral moment of order 7 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1348 SM08_AEA(ed) spectral moment of order 8 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1349 SM09_AEA(ed) spectral moment of order 9 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1350 SM10_AEA(ed) spectral moment of order 10 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1351 SM11_AEA(ed) spectral moment of order 11 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1352 SM12_AEA(ed) spectral moment of order 12 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1353 SM13_AEA(ed) spectral moment of order 13 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1354 SM14_AEA(ed) spectral moment of order 14 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1355 SM15_AEA(ed) spectral moment of order 15 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1356 SM02_AEA(bo) spectral moment of order 2 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1357 SM03_AEA(bo) spectral moment of order 3 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1358 SM04_AEA(bo) spectral moment of order 4 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1359 SM05_AEA(bo) spectral moment of order 5 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1360 SM06_AEA(bo) spectral moment of order 6 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1361 SM07_AEA(bo) spectral moment of order 7 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1362 SM08_AEA(bo) spectral moment of order 8 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1363 SM09_AEA(bo) spectral moment of order 9 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1364 SM10_AEA(bo) spectral moment of order 10 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1365 SM11_AEA(bo) spectral moment of order 11 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1366 SM12_AEA(bo) spectral moment of order 12 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1367 SM13_AEA(bo) spectral moment of order 13 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1368 SM14_AEA(bo) spectral moment of order 14 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1369 SM15_AEA(bo) spectral moment of order 15 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1370 SM02_AEA(dm) spectral moment of order 2 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1371 SM03_AEA(dm) spectral moment of order 3 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1372 SM04_AEA(dm) spectral moment of order 4 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1373 SM05_AEA(dm) spectral moment of order 5 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1374 SM06_AEA(dm) spectral moment of order 6 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1375 SM07_AEA(dm) spectral moment of order 7 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1376 SM08_AEA(dm) spectral moment of order 8 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1377 SM09_AEA(dm) spectral moment of order 9 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1378 SM10_AEA(dm) spectral moment of order 10 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1379 SM11_AEA(dm) spectral moment of order 11 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1380 SM12_AEA(dm) spectral moment of order 12 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1381 SM13_AEA(dm) spectral moment of order 13 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1382 SM14_AEA(dm) spectral moment of order 14 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1383 SM15_AEA(dm) spectral moment of order 15 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1384 SM02_AEA(ri) spectral moment of order 2 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1385 SM03_AEA(ri) spectral moment of order 3 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1386 SM04_AEA(ri) spectral moment of order 4 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1387 SM05_AEA(ri) spectral moment of order 5 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1388 SM06_AEA(ri) spectral moment of order 6 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1389 SM07_AEA(ri) spectral moment of order 7 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1390 SM08_AEA(ri) spectral moment of order 8 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1391 SM09_AEA(ri) spectral moment of order 9 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1392 SM10_AEA(ri) spectral moment of order 10 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1393 SM11_AEA(ri) spectral moment of order 11 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1394 SM12_AEA(ri) spectral moment of order 12 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1395 SM13_AEA(ri) spectral moment of order 13 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1396 SM14_AEA(ri) spectral moment of order 14 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1397 SM15_AEA(ri) spectral moment of order 15 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1398 Eig01_EA eigenvalue n. 1 from edge adjacency mat. Edge adjacency indices1399 Eig02_EA eigenvalue n. 2 from edge adjacency mat. Edge adjacency indices1400 Eig03_EA eigenvalue n. 3 from edge adjacency mat. Edge adjacency indices1401 Eig04_EA eigenvalue n. 4 from edge adjacency mat. Edge adjacency indices1402 Eig05_EA eigenvalue n. 5 from edge adjacency mat. Edge adjacency indices1403 Eig06_EA eigenvalue n. 6 from edge adjacency mat. Edge adjacency indices1404 Eig07_EA eigenvalue n. 7 from edge adjacency mat. Edge adjacency indices1405 Eig08_EA eigenvalue n. 8 from edge adjacency mat. Edge adjacency indices1406 Eig09_EA eigenvalue n. 9 from edge adjacency mat. Edge adjacency indices1407 Eig10_EA eigenvalue n. 10 from edge adjacency mat. Edge adjacency indices1408 Eig11_EA eigenvalue n. 11 from edge adjacency mat. Edge adjacency indices1409 Eig12_EA eigenvalue n. 12 from edge adjacency mat. Edge adjacency indices1410 Eig13_EA eigenvalue n. 13 from edge adjacency mat. Edge adjacency indices1411 Eig14_EA eigenvalue n. 14 from edge adjacency mat. Edge adjacency indices1412 Eig15_EA eigenvalue n. 15 from edge adjacency mat. Edge adjacency indices1413 Eig01_EA(ed) eigenvalue n. 1 from edge adjacency mat. weighted by edge degree Edge adjacency indices1414 Eig02_EA(ed) eigenvalue n. 2 from edge adjacency mat. weighted by edge degree Edge adjacency indices1415 Eig03_EA(ed) eigenvalue n. 3 from edge adjacency mat. weighted by edge degree Edge adjacency indices1416 Eig04_EA(ed) eigenvalue n. 4 from edge adjacency mat. weighted by edge degree Edge adjacency indices1417 Eig05_EA(ed) eigenvalue n. 5 from edge adjacency mat. weighted by edge degree Edge adjacency indices1418 Eig06_EA(ed) eigenvalue n. 6 from edge adjacency mat. weighted by edge degree Edge adjacency indices1419 Eig07_EA(ed) eigenvalue n. 7 from edge adjacency mat. weighted by edge degree Edge adjacency indices1420 Eig08_EA(ed) eigenvalue n. 8 from edge adjacency mat. weighted by edge degree Edge adjacency indices1421 Eig09_EA(ed) eigenvalue n. 9 from edge adjacency mat. weighted by edge degree Edge adjacency indices1422 Eig10_EA(ed) eigenvalue n. 10 from edge adjacency mat. weighted by edge degree Edge adjacency indices1423 Eig11_EA(ed) eigenvalue n. 11 from edge adjacency mat. weighted by edge degree Edge adjacency indices1424 Eig12_EA(ed) eigenvalue n. 12 from edge adjacency mat. weighted by edge degree Edge adjacency indices1425 Eig13_EA(ed) eigenvalue n. 13 from edge adjacency mat. weighted by edge degree Edge adjacency indices1426 Eig14_EA(ed) eigenvalue n. 14 from edge adjacency mat. weighted by edge degree Edge adjacency indices1427 Eig15_EA(ed) eigenvalue n. 15 from edge adjacency mat. weighted by edge degree Edge adjacency indices1428 Eig01_EA(bo) eigenvalue n. 1 from edge adjacency mat. weighted by bond order Edge adjacency indices1429 Eig02_EA(bo) eigenvalue n. 2 from edge adjacency mat. weighted by bond order Edge adjacency indices1430 Eig03_EA(bo) eigenvalue n. 3 from edge adjacency mat. weighted by bond order Edge adjacency indices1431 Eig04_EA(bo) eigenvalue n. 4 from edge adjacency mat. weighted by bond order Edge adjacency indices1432 Eig05_EA(bo) eigenvalue n. 5 from edge adjacency mat. weighted by bond order Edge adjacency indices1433 Eig06_EA(bo) eigenvalue n. 6 from edge adjacency mat. weighted by bond order Edge adjacency indices1434 Eig07_EA(bo) eigenvalue n. 7 from edge adjacency mat. weighted by bond order Edge adjacency indices1435 Eig08_EA(bo) eigenvalue n. 8 from edge adjacency mat. weighted by bond order Edge adjacency indices1436 Eig09_EA(bo) eigenvalue n. 9 from edge adjacency mat. weighted by bond order Edge adjacency indices

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1437 Eig10_EA(bo) eigenvalue n. 10 from edge adjacency mat. weighted by bond order Edge adjacency indices1438 Eig11_EA(bo) eigenvalue n. 11 from edge adjacency mat. weighted by bond order Edge adjacency indices1439 Eig12_EA(bo) eigenvalue n. 12 from edge adjacency mat. weighted by bond order Edge adjacency indices1440 Eig13_EA(bo) eigenvalue n. 13 from edge adjacency mat. weighted by bond order Edge adjacency indices1441 Eig14_EA(bo) eigenvalue n. 14 from edge adjacency mat. weighted by bond order Edge adjacency indices1442 Eig15_EA(bo) eigenvalue n. 15 from edge adjacency mat. weighted by bond order Edge adjacency indices1443 Eig01_EA(dm) eigenvalue n. 1 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1444 Eig02_EA(dm) eigenvalue n. 2 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1445 Eig03_EA(dm) eigenvalue n. 3 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1446 Eig04_EA(dm) eigenvalue n. 4 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1447 Eig05_EA(dm) eigenvalue n. 5 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1448 Eig06_EA(dm) eigenvalue n. 6 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1449 Eig07_EA(dm) eigenvalue n. 7 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1450 Eig08_EA(dm) eigenvalue n. 8 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1451 Eig09_EA(dm) eigenvalue n. 9 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1452 Eig10_EA(dm) eigenvalue n. 10 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1453 Eig11_EA(dm) eigenvalue n. 11 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1454 Eig12_EA(dm) eigenvalue n. 12 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1455 Eig13_EA(dm) eigenvalue n. 13 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1456 Eig14_EA(dm) eigenvalue n. 14 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1457 Eig15_EA(dm) eigenvalue n. 15 from edge adjacency mat. weighted by dipole moment Edge adjacency indices1458 Eig01_EA(ri) eigenvalue n. 1 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1459 Eig02_EA(ri) eigenvalue n. 2 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1460 Eig03_EA(ri) eigenvalue n. 3 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1461 Eig04_EA(ri) eigenvalue n. 4 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1462 Eig05_EA(ri) eigenvalue n. 5 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1463 Eig06_EA(ri) eigenvalue n. 6 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1464 Eig07_EA(ri) eigenvalue n. 7 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1465 Eig08_EA(ri) eigenvalue n. 8 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1466 Eig09_EA(ri) eigenvalue n. 9 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1467 Eig10_EA(ri) eigenvalue n. 10 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1468 Eig11_EA(ri) eigenvalue n. 11 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1469 Eig12_EA(ri) eigenvalue n. 12 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1470 Eig13_EA(ri) eigenvalue n. 13 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1471 Eig14_EA(ri) eigenvalue n. 14 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1472 Eig15_EA(ri) eigenvalue n. 15 from edge adjacency mat. weighted by resonance integral Edge adjacency indices1473 Eig01_AEA(ed) eigenvalue n. 1 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1474 Eig02_AEA(ed) eigenvalue n. 2 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1475 Eig03_AEA(ed) eigenvalue n. 3 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1476 Eig04_AEA(ed) eigenvalue n. 4 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1477 Eig05_AEA(ed) eigenvalue n. 5 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1478 Eig06_AEA(ed) eigenvalue n. 6 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1479 Eig07_AEA(ed) eigenvalue n. 7 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1480 Eig08_AEA(ed) eigenvalue n. 8 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1481 Eig09_AEA(ed) eigenvalue n. 9 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1482 Eig10_AEA(ed) eigenvalue n. 10 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1483 Eig11_AEA(ed) eigenvalue n. 11 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1484 Eig12_AEA(ed) eigenvalue n. 12 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1485 Eig13_AEA(ed) eigenvalue n. 13 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1486 Eig14_AEA(ed) eigenvalue n. 14 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1487 Eig15_AEA(ed) eigenvalue n. 15 from augmented edge adjacency mat. weighted by edge degree Edge adjacency indices1488 Eig01_AEA(bo) eigenvalue n. 1 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1489 Eig02_AEA(bo) eigenvalue n. 2 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1490 Eig03_AEA(bo) eigenvalue n. 3 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1491 Eig04_AEA(bo) eigenvalue n. 4 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1492 Eig05_AEA(bo) eigenvalue n. 5 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1493 Eig06_AEA(bo) eigenvalue n. 6 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1494 Eig07_AEA(bo) eigenvalue n. 7 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1495 Eig08_AEA(bo) eigenvalue n. 8 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1496 Eig09_AEA(bo) eigenvalue n. 9 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1497 Eig10_AEA(bo) eigenvalue n. 10 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1498 Eig11_AEA(bo) eigenvalue n. 11 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1499 Eig12_AEA(bo) eigenvalue n. 12 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1500 Eig13_AEA(bo) eigenvalue n. 13 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1501 Eig14_AEA(bo) eigenvalue n. 14 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1502 Eig15_AEA(bo) eigenvalue n. 15 from augmented edge adjacency mat. weighted by bond order Edge adjacency indices1503 Eig01_AEA(dm) eigenvalue n. 1 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1504 Eig02_AEA(dm) eigenvalue n. 2 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1505 Eig03_AEA(dm) eigenvalue n. 3 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1506 Eig04_AEA(dm) eigenvalue n. 4 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1507 Eig05_AEA(dm) eigenvalue n. 5 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1508 Eig06_AEA(dm) eigenvalue n. 6 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1509 Eig07_AEA(dm) eigenvalue n. 7 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1510 Eig08_AEA(dm) eigenvalue n. 8 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1511 Eig09_AEA(dm) eigenvalue n. 9 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1512 Eig10_AEA(dm) eigenvalue n. 10 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1513 Eig11_AEA(dm) eigenvalue n. 11 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1514 Eig12_AEA(dm) eigenvalue n. 12 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1515 Eig13_AEA(dm) eigenvalue n. 13 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1516 Eig14_AEA(dm) eigenvalue n. 14 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1517 Eig15_AEA(dm) eigenvalue n. 15 from augmented edge adjacency mat. weighted by dipole moment Edge adjacency indices1518 Eig01_AEA(ri) eigenvalue n. 1 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1519 Eig02_AEA(ri) eigenvalue n. 2 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1520 Eig03_AEA(ri) eigenvalue n. 3 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1521 Eig04_AEA(ri) eigenvalue n. 4 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1522 Eig05_AEA(ri) eigenvalue n. 5 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1523 Eig06_AEA(ri) eigenvalue n. 6 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1524 Eig07_AEA(ri) eigenvalue n. 7 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1525 Eig08_AEA(ri) eigenvalue n. 8 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1526 Eig09_AEA(ri) eigenvalue n. 9 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1527 Eig10_AEA(ri) eigenvalue n. 10 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1528 Eig11_AEA(ri) eigenvalue n. 11 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1529 Eig12_AEA(ri) eigenvalue n. 12 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1530 Eig13_AEA(ri) eigenvalue n. 13 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1531 Eig14_AEA(ri) eigenvalue n. 14 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices1532 Eig15_AEA(ri) eigenvalue n. 15 from augmented edge adjacency mat. weighted by resonance integral Edge adjacency indices

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1533 G1 gravitational index G1 Geometrical descriptors1534 G2 gravitational index G2 (bond-restricted) Geometrical descriptors1535 RGyr radius of gyration (mass weighted) Geometrical descriptors1536 SPAN span R Geometrical descriptors1537 SPAM average span R Geometrical descriptors1538 MEcc molecular eccentricity Geometrical descriptors1539 SPH spherosity Geometrical descriptors1540 ASP asphericity Geometrical descriptors1541 PJI3 3D Petitjean shape index Geometrical descriptors1542 L/Bw length-to-breadth ratio by WHIM Geometrical descriptors1543 HOMA Harmonic Oscillator Model of Aromaticity index Geometrical descriptors1544 CMBL conjugated maximum bond length Geometrical descriptors1545 AROM aromaticity index Geometrical descriptors1546 HOMT HOMA total Geometrical descriptors1547 DISPm displacement value / weighted by mass Geometrical descriptors1548 QXXm quadrupole x-component value / weighted by mass Geometrical descriptors1549 QYYm quadrupole y-component value / weighted by mass Geometrical descriptors1550 QZZm quadrupole z-component value / weighted by mass Geometrical descriptors1551 DISPv displacement value / weighted by van der Waals volume Geometrical descriptors1552 QXXv quadrupole x-component value / weighted by van der Waals volume Geometrical descriptors1553 QYYv quadrupole y-component value / weighted by van der Waals volume Geometrical descriptors1554 QZZv quadrupole z-component value / weighted by van der Waals volume Geometrical descriptors1555 DISPe displacement value / weighted by Sanderson electronegativity Geometrical descriptors1556 QXXe quadrupole x-component value / weighted by Sanderson electronegativity Geometrical descriptors1557 QYYe quadrupole y-component value / weighted by Sanderson electronegativity Geometrical descriptors1558 QZZe quadrupole z-component value / weighted by Sanderson electronegativity Geometrical descriptors1559 DISPp displacement value / weighted by polarizability Geometrical descriptors1560 QXXp quadrupole x-component value / weighted by polarizability Geometrical descriptors1561 QYYp quadrupole y-component value / weighted by polarizability Geometrical descriptors1562 QZZp quadrupole z-component value / weighted by polarizability Geometrical descriptors1563 DISPi displacement value / weighted by ionization potential Geometrical descriptors1564 QXXi quadrupole x-component value / weighted by ionization potential Geometrical descriptors1565 QYYi quadrupole y-component value / weighted by ionization potential Geometrical descriptors1566 QZZi quadrupole z-component value / weighted by ionization potential Geometrical descriptors1567 DISPs displacement value / weighted by I-state Geometrical descriptors1568 QXXs quadrupole x-component value / weighted by I-state Geometrical descriptors1569 QYYs quadrupole y-component value / weighted by I-state Geometrical descriptors1570 QZZs quadrupole z-component value / weighted by I-state Geometrical descriptors1571 Wi_G Wiener-like index from geometrical matrix 3D matrix-based descriptors1572 WiA_G average Wiener-like index from geometrical matrix 3D matrix-based descriptors1573 AVS_G average vertex sum from geometrical matrix 3D matrix-based descriptors1574 H_G Harary-like index from geometrical matrix 3D matrix-based descriptors1575 Chi_G Randic-like index from geometrical matrix 3D matrix-based descriptors1576 ChiA_G average Randic-like index from geometrical matrix 3D matrix-based descriptors1577 J_G Balaban-like index from geometrical matrix 3D matrix-based descriptors1578 HyWi_G hyper-Wiener-like index from geometrical matrix 3D matrix-based descriptors1579 SpAbs_G graph energy from geometrical matrix 3D matrix-based descriptors1580 SpPos_G spectral positive sum from geometrical matrix 3D matrix-based descriptors1581 SpPosA_G normalized spectral positive sum from geometrical matrix 3D matrix-based descriptors1582 SpPosLog_G logarithmic spectral positive sum from geometrical matrix 3D matrix-based descriptors1583 SpMax_G leading eigenvalue from geometrical matrix 3D matrix-based descriptors1584 SpMaxA_G normalized leading eigenvalue from geometrical matrix 3D matrix-based descriptors1585 SpDiam_G spectral diameter from geometrical matrix 3D matrix-based descriptors1586 SpAD_G spectral absolute deviation from geometrical matrix 3D matrix-based descriptors1587 SpMAD_G spectral mean absolute deviation from geometrical matrix 3D matrix-based descriptors1588 Ho_G Hosoya-like index (log function) from geometrical matrix 3D matrix-based descriptors1589 EE_G Estrada-like index (log function) from geometrical matrix 3D matrix-based descriptors1590 SM2_G spectral moment of order 2 from geometrical matrix 3D matrix-based descriptors1591 SM3_G spectral moment of order 3 from geometrical matrix 3D matrix-based descriptors1592 SM4_G spectral moment of order 4 from geometrical matrix 3D matrix-based descriptors1593 SM5_G spectral moment of order 5 from geometrical matrix 3D matrix-based descriptors1594 SM6_G spectral moment of order 6 from geometrical matrix 3D matrix-based descriptors1595 VE1_G coefficient sum of the last eigenvector from geometrical matrix 3D matrix-based descriptors1596 VE2_G average coefficient of the last eigenvector from geometrical matrix 3D matrix-based descriptors1597 VE3_G logarithmic coefficient sum of the last eigenvector from geometrical matrix 3D matrix-based descriptors1598 VR1_G Randic-like eigenvector-based index from geometrical matrix 3D matrix-based descriptors1599 VR2_G normalized Randic-like eigenvector-based index from geometrical matrix 3D matrix-based descriptors1600 VR3_G logarithmic Randic-like eigenvector-based index from geometrical matrix 3D matrix-based descriptors1601 Wi_RG Wiener-like index from reciprocal squared geometrical matrix 3D matrix-based descriptors1602 WiA_RG average Wiener-like index from reciprocal squared geometrical matrix 3D matrix-based descriptors1603 AVS_RG average vertex sum from reciprocal squared geometrical matrix 3D matrix-based descriptors1604 H_RG Harary-like index from reciprocal squared geometrical matrix 3D matrix-based descriptors1605 Chi_RG Randic-like index from reciprocal squared geometrical matrix 3D matrix-based descriptors1606 ChiA_RG average Randic-like index from reciprocal squared geometrical matrix 3D matrix-based descriptors1607 J_RG Balaban-like index from reciprocal squared geometrical matrix 3D matrix-based descriptors1608 HyWi_RG hyper-Wiener-like index from reciprocal squared geometrical matrix 3D matrix-based descriptors1609 SpAbs_RG graph energy from reciprocal squared geometrical matrix 3D matrix-based descriptors1610 SpPos_RG spectral positive sum from reciprocal squared geometrical matrix 3D matrix-based descriptors1611 SpPosA_RG normalized spectral positive sum from reciprocal squared geometrical matrix 3D matrix-based descriptors1612 SpPosLog_RG logarithmic spectral positive sum from reciprocal squared geometrical matrix 3D matrix-based descriptors1613 SpMax_RG leading eigenvalue from reciprocal squared geometrical matrix 3D matrix-based descriptors1614 SpMaxA_RG normalized leading eigenvalue from reciprocal squared geometrical matrix 3D matrix-based descriptors1615 SpDiam_RG spectral diameter from reciprocal squared geometrical matrix 3D matrix-based descriptors1616 SpAD_RG spectral absolute deviation from reciprocal squared geometrical matrix 3D matrix-based descriptors1617 SpMAD_RG spectral mean absolute deviation from reciprocal squared geometrical matrix 3D matrix-based descriptors1618 Ho_RG Hosoya-like index (log function) from reciprocal squared geometrical matrix 3D matrix-based descriptors1619 EE_RG Estrada-like index (log function) from reciprocal squared geometrical matrix 3D matrix-based descriptors1620 SM2_RG spectral moment of order 2 from reciprocal squared geometrical matrix 3D matrix-based descriptors1621 SM3_RG spectral moment of order 3 from reciprocal squared geometrical matrix 3D matrix-based descriptors1622 SM4_RG spectral moment of order 4 from reciprocal squared geometrical matrix 3D matrix-based descriptors1623 SM5_RG spectral moment of order 5 from reciprocal squared geometrical matrix 3D matrix-based descriptors1624 SM6_RG spectral moment of order 6 from reciprocal squared geometrical matrix 3D matrix-based descriptors1625 VE1_RG coefficient sum of the last eigenvector from reciprocal squared geometrical matrix 3D matrix-based descriptors1626 VE2_RG average coefficient of the last eigenvector from reciprocal squared geometrical matrix 3D matrix-based descriptors1627 VE3_RG logarithmic coefficient sum of the last eigenvector from reciprocal squared geometrical matrix 3D matrix-based descriptors1628 VR1_RG Randic-like eigenvector-based index from reciprocal squared geometrical matrix 3D matrix-based descriptors

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1629 VR2_RG normalized Randic-like eigenvector-based index from reciprocal squared geometrical matrix 3D matrix-based descriptors1630 VR3_RG logarithmic Randic-like eigenvector-based index from reciprocal squared geometrical matrix 3D matrix-based descriptors1631 Wi_G/D Wiener-like index from distance/distance matrix 3D matrix-based descriptors1632 WiA_G/D average Wiener-like index from distance/distance matrix 3D matrix-based descriptors1633 AVS_G/D average vertex sum from distance/distance matrix 3D matrix-based descriptors1634 H_G/D Harary-like index from distance/distance matrix 3D matrix-based descriptors1635 Chi_G/D Randic-like index from distance/distance matrix 3D matrix-based descriptors1636 ChiA_G/D average Randic-like index from distance/distance matrix 3D matrix-based descriptors1637 J_G/D Balaban-like index from distance/distance matrix 3D matrix-based descriptors1638 HyWi_G/D hyper-Wiener-like index from distance/distance matrix 3D matrix-based descriptors1639 SpAbs_G/D graph energy from distance/distance matrix 3D matrix-based descriptors1640 SpPos_G/D spectral positive sum from distance/distance matrix 3D matrix-based descriptors1641 SpPosA_G/D normalized spectral positive sum from distance/distance matrix 3D matrix-based descriptors1642 SpPosLog_G/D logarithmic spectral positive sum from distance/distance matrix 3D matrix-based descriptors1643 SpMax_G/D leading eigenvalue from distance/distance matrix 3D matrix-based descriptors1644 SpMaxA_G/D normalized leading eigenvalue from distance/distance matrix (folding degree index) 3D matrix-based descriptors1645 SpDiam_G/D spectral diameter from distance/distance matrix 3D matrix-based descriptors1646 SpAD_G/D spectral absolute deviation from distance/distance matrix 3D matrix-based descriptors1647 SpMAD_G/D spectral mean absolute deviation from distance/distance matrix 3D matrix-based descriptors1648 Ho_G/D Hosoya-like index (log function) from distance/distance matrix 3D matrix-based descriptors1649 EE_G/D Estrada-like index (log function) from distance/distance matrix 3D matrix-based descriptors1650 SM2_G/D spectral moment of order 2 from distance/distance matrix 3D matrix-based descriptors1651 SM3_G/D spectral moment of order 3 from distance/distance matrix 3D matrix-based descriptors1652 SM4_G/D spectral moment of order 4 from distance/distance matrix 3D matrix-based descriptors1653 SM5_G/D spectral moment of order 5 from distance/distance matrix 3D matrix-based descriptors1654 SM6_G/D spectral moment of order 6 from distance/distance matrix 3D matrix-based descriptors1655 VE1_G/D coefficient sum of the last eigenvector from distance/distance matrix 3D matrix-based descriptors1656 VE2_G/D average coefficient of the last eigenvector from distance/distance matrix 3D matrix-based descriptors1657 VE3_G/D logarithmic coefficient sum of the last eigenvector from distance/distance matrix 3D matrix-based descriptors1658 VR1_G/D Randic-like eigenvector-based index from distance/distance matrix 3D matrix-based descriptors1659 VR2_G/D normalized Randic-like eigenvector-based index from distance/distance matrix 3D matrix-based descriptors1660 VR3_G/D logarithmic Randic-like eigenvector-based index from distance/distance matrix 3D matrix-based descriptors1661 TDB01u 3D Topological distance based descriptors - lag 1 unweighted 3D autocorrelations1662 TDB02u 3D Topological distance based descriptors - lag 2 unweighted 3D autocorrelations1663 TDB03u 3D Topological distance based descriptors - lag 3 unweighted 3D autocorrelations1664 TDB04u 3D Topological distance based descriptors - lag 4 unweighted 3D autocorrelations1665 TDB05u 3D Topological distance based descriptors - lag 5 unweighted 3D autocorrelations1666 TDB06u 3D Topological distance based descriptors - lag 6 unweighted 3D autocorrelations1667 TDB07u 3D Topological distance based descriptors - lag 7 unweighted 3D autocorrelations1668 TDB08u 3D Topological distance based descriptors - lag 8 unweighted 3D autocorrelations1669 TDB09u 3D Topological distance based descriptors - lag 9 unweighted 3D autocorrelations1670 TDB10u 3D Topological distance based descriptors - lag 10 unweighted 3D autocorrelations1671 TDB01m 3D Topological distance based descriptors - lag 1 weighted by mass 3D autocorrelations1672 TDB02m 3D Topological distance based descriptors - lag 2 weighted by mass 3D autocorrelations1673 TDB03m 3D Topological distance based descriptors - lag 3 weighted by mass 3D autocorrelations1674 TDB04m 3D Topological distance based descriptors - lag 4 weighted by mass 3D autocorrelations1675 TDB05m 3D Topological distance based descriptors - lag 5 weighted by mass 3D autocorrelations1676 TDB06m 3D Topological distance based descriptors - lag 6 weighted by mass 3D autocorrelations1677 TDB07m 3D Topological distance based descriptors - lag 7 weighted by mass 3D autocorrelations1678 TDB08m 3D Topological distance based descriptors - lag 8 weighted by mass 3D autocorrelations1679 TDB09m 3D Topological distance based descriptors - lag 9 weighted by mass 3D autocorrelations1680 TDB10m 3D Topological distance based descriptors - lag 10 weighted by mass 3D autocorrelations1681 TDB01v 3D Topological distance based descriptors - lag 1 weighted by van der Waals volume 3D autocorrelations1682 TDB02v 3D Topological distance based descriptors - lag 2 weighted by van der Waals volume 3D autocorrelations1683 TDB03v 3D Topological distance based descriptors - lag 3 weighted by van der Waals volume 3D autocorrelations1684 TDB04v 3D Topological distance based descriptors - lag 4 weighted by van der Waals volume 3D autocorrelations1685 TDB05v 3D Topological distance based descriptors - lag 5 weighted by van der Waals volume 3D autocorrelations1686 TDB06v 3D Topological distance based descriptors - lag 6 weighted by van der Waals volume 3D autocorrelations1687 TDB07v 3D Topological distance based descriptors - lag 7 weighted by van der Waals volume 3D autocorrelations1688 TDB08v 3D Topological distance based descriptors - lag 8 weighted by van der Waals volume 3D autocorrelations1689 TDB09v 3D Topological distance based descriptors - lag 9 weighted by van der Waals volume 3D autocorrelations1690 TDB10v 3D Topological distance based descriptors - lag 10 weighted by van der Waals volume 3D autocorrelations1691 TDB01e 3D Topological distance based descriptors - lag 1 weighted by Sanderson electronegativity 3D autocorrelations1692 TDB02e 3D Topological distance based descriptors - lag 2 weighted by Sanderson electronegativity 3D autocorrelations1693 TDB03e 3D Topological distance based descriptors - lag 3 weighted by Sanderson electronegativity 3D autocorrelations1694 TDB04e 3D Topological distance based descriptors - lag 4 weighted by Sanderson electronegativity 3D autocorrelations1695 TDB05e 3D Topological distance based descriptors - lag 5 weighted by Sanderson electronegativity 3D autocorrelations1696 TDB06e 3D Topological distance based descriptors - lag 6 weighted by Sanderson electronegativity 3D autocorrelations1697 TDB07e 3D Topological distance based descriptors - lag 7 weighted by Sanderson electronegativity 3D autocorrelations1698 TDB08e 3D Topological distance based descriptors - lag 8 weighted by Sanderson electronegativity 3D autocorrelations1699 TDB09e 3D Topological distance based descriptors - lag 9 weighted by Sanderson electronegativity 3D autocorrelations1700 TDB10e 3D Topological distance based descriptors - lag 10 weighted by Sanderson electronegativity 3D autocorrelations1701 TDB01p 3D Topological distance based descriptors - lag 1 weighted by polarizability 3D autocorrelations1702 TDB02p 3D Topological distance based descriptors - lag 2 weighted by polarizability 3D autocorrelations1703 TDB03p 3D Topological distance based descriptors - lag 3 weighted by polarizability 3D autocorrelations1704 TDB04p 3D Topological distance based descriptors - lag 4 weighted by polarizability 3D autocorrelations1705 TDB05p 3D Topological distance based descriptors - lag 5 weighted by polarizability 3D autocorrelations1706 TDB06p 3D Topological distance based descriptors - lag 6 weighted by polarizability 3D autocorrelations1707 TDB07p 3D Topological distance based descriptors - lag 7 weighted by polarizability 3D autocorrelations1708 TDB08p 3D Topological distance based descriptors - lag 8 weighted by polarizability 3D autocorrelations1709 TDB09p 3D Topological distance based descriptors - lag 9 weighted by polarizability 3D autocorrelations1710 TDB10p 3D Topological distance based descriptors - lag 10 weighted by polarizability 3D autocorrelations1711 TDB01i 3D Topological distance based descriptors - lag 1 weighted by ionization potential 3D autocorrelations1712 TDB02i 3D Topological distance based descriptors - lag 2 weighted by ionization potential 3D autocorrelations1713 TDB03i 3D Topological distance based descriptors - lag 3 weighted by ionization potential 3D autocorrelations1714 TDB04i 3D Topological distance based descriptors - lag 4 weighted by ionization potential 3D autocorrelations1715 TDB05i 3D Topological distance based descriptors - lag 5 weighted by ionization potential 3D autocorrelations1716 TDB06i 3D Topological distance based descriptors - lag 6 weighted by ionization potential 3D autocorrelations1717 TDB07i 3D Topological distance based descriptors - lag 7 weighted by ionization potential 3D autocorrelations1718 TDB08i 3D Topological distance based descriptors - lag 8 weighted by ionization potential 3D autocorrelations1719 TDB09i 3D Topological distance based descriptors - lag 9 weighted by ionization potential 3D autocorrelations1720 TDB10i 3D Topological distance based descriptors - lag 10 weighted by ionization potential 3D autocorrelations1721 TDB01s 3D Topological distance based descriptors - lag 1 weighted by I-state 3D autocorrelations1722 TDB02s 3D Topological distance based descriptors - lag 2 weighted by I-state 3D autocorrelations1723 TDB03s 3D Topological distance based descriptors - lag 3 weighted by I-state 3D autocorrelations1724 TDB04s 3D Topological distance based descriptors - lag 4 weighted by I-state 3D autocorrelations

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1725 TDB05s 3D Topological distance based descriptors - lag 5 weighted by I-state 3D autocorrelations1726 TDB06s 3D Topological distance based descriptors - lag 6 weighted by I-state 3D autocorrelations1727 TDB07s 3D Topological distance based descriptors - lag 7 weighted by I-state 3D autocorrelations1728 TDB08s 3D Topological distance based descriptors - lag 8 weighted by I-state 3D autocorrelations1729 TDB09s 3D Topological distance based descriptors - lag 9 weighted by I-state 3D autocorrelations1730 TDB10s 3D Topological distance based descriptors - lag 10 weighted by I-state 3D autocorrelations1731 TDB01r 3D Topological distance based descriptors - lag 1 weighted by covalent radius 3D autocorrelations1732 TDB02r 3D Topological distance based descriptors - lag 2 weighted by covalent radius 3D autocorrelations1733 TDB03r 3D Topological distance based descriptors - lag 3 weighted by covalent radius 3D autocorrelations1734 TDB04r 3D Topological distance based descriptors - lag 4 weighted by covalent radius 3D autocorrelations1735 TDB05r 3D Topological distance based descriptors - lag 5 weighted by covalent radius 3D autocorrelations1736 TDB06r 3D Topological distance based descriptors - lag 6 weighted by covalent radius 3D autocorrelations1737 TDB07r 3D Topological distance based descriptors - lag 7 weighted by covalent radius 3D autocorrelations1738 TDB08r 3D Topological distance based descriptors - lag 8 weighted by covalent radius 3D autocorrelations1739 TDB09r 3D Topological distance based descriptors - lag 9 weighted by covalent radius 3D autocorrelations1740 TDB10r 3D Topological distance based descriptors - lag 10 weighted by covalent radius 3D autocorrelations1741 RDF010u Radial Distribution Function - 010 / unweighted RDF descriptors1742 RDF015u Radial Distribution Function - 015 / unweighted RDF descriptors1743 RDF020u Radial Distribution Function - 020 / unweighted RDF descriptors1744 RDF025u Radial Distribution Function - 025 / unweighted RDF descriptors1745 RDF030u Radial Distribution Function - 030 / unweighted RDF descriptors1746 RDF035u Radial Distribution Function - 035 / unweighted RDF descriptors1747 RDF040u Radial Distribution Function - 040 / unweighted RDF descriptors1748 RDF045u Radial Distribution Function - 045 / unweighted RDF descriptors1749 RDF050u Radial Distribution Function - 050 / unweighted RDF descriptors1750 RDF055u Radial Distribution Function - 055 / unweighted RDF descriptors1751 RDF060u Radial Distribution Function - 060 / unweighted RDF descriptors1752 RDF065u Radial Distribution Function - 065 / unweighted RDF descriptors1753 RDF070u Radial Distribution Function - 070 / unweighted RDF descriptors1754 RDF075u Radial Distribution Function - 075 / unweighted RDF descriptors1755 RDF080u Radial Distribution Function - 080 / unweighted RDF descriptors1756 RDF085u Radial Distribution Function - 085 / unweighted RDF descriptors1757 RDF090u Radial Distribution Function - 090 / unweighted RDF descriptors1758 RDF095u Radial Distribution Function - 095 / unweighted RDF descriptors1759 RDF100u Radial Distribution Function - 100 / unweighted RDF descriptors1760 RDF105u Radial Distribution Function - 105 / unweighted RDF descriptors1761 RDF110u Radial Distribution Function - 110 / unweighted RDF descriptors1762 RDF115u Radial Distribution Function - 115 / unweighted RDF descriptors1763 RDF120u Radial Distribution Function - 120 / unweighted RDF descriptors1764 RDF125u Radial Distribution Function - 125 / unweighted RDF descriptors1765 RDF130u Radial Distribution Function - 130 / unweighted RDF descriptors1766 RDF135u Radial Distribution Function - 135 / unweighted RDF descriptors1767 RDF140u Radial Distribution Function - 140 / unweighted RDF descriptors1768 RDF145u Radial Distribution Function - 145 / unweighted RDF descriptors1769 RDF150u Radial Distribution Function - 150 / unweighted RDF descriptors1770 RDF155u Radial Distribution Function - 155 / unweighted RDF descriptors1771 RDF010m Radial Distribution Function - 010 / weighted by mass RDF descriptors1772 RDF015m Radial Distribution Function - 015 / weighted by mass RDF descriptors1773 RDF020m Radial Distribution Function - 020 / weighted by mass RDF descriptors1774 RDF025m Radial Distribution Function - 025 / weighted by mass RDF descriptors1775 RDF030m Radial Distribution Function - 030 / weighted by mass RDF descriptors1776 RDF035m Radial Distribution Function - 035 / weighted by mass RDF descriptors1777 RDF040m Radial Distribution Function - 040 / weighted by mass RDF descriptors1778 RDF045m Radial Distribution Function - 045 / weighted by mass RDF descriptors1779 RDF050m Radial Distribution Function - 050 / weighted by mass RDF descriptors1780 RDF055m Radial Distribution Function - 055 / weighted by mass RDF descriptors1781 RDF060m Radial Distribution Function - 060 / weighted by mass RDF descriptors1782 RDF065m Radial Distribution Function - 065 / weighted by mass RDF descriptors1783 RDF070m Radial Distribution Function - 070 / weighted by mass RDF descriptors1784 RDF075m Radial Distribution Function - 075 / weighted by mass RDF descriptors1785 RDF080m Radial Distribution Function - 080 / weighted by mass RDF descriptors1786 RDF085m Radial Distribution Function - 085 / weighted by mass RDF descriptors1787 RDF090m Radial Distribution Function - 090 / weighted by mass RDF descriptors1788 RDF095m Radial Distribution Function - 095 / weighted by mass RDF descriptors1789 RDF100m Radial Distribution Function - 100 / weighted by mass RDF descriptors1790 RDF105m Radial Distribution Function - 105 / weighted by mass RDF descriptors1791 RDF110m Radial Distribution Function - 110 / weighted by mass RDF descriptors1792 RDF115m Radial Distribution Function - 115 / weighted by mass RDF descriptors1793 RDF120m Radial Distribution Function - 120 / weighted by mass RDF descriptors1794 RDF125m Radial Distribution Function - 125 / weighted by mass RDF descriptors1795 RDF130m Radial Distribution Function - 130 / weighted by mass RDF descriptors1796 RDF135m Radial Distribution Function - 135 / weighted by mass RDF descriptors1797 RDF140m Radial Distribution Function - 140 / weighted by mass RDF descriptors1798 RDF145m Radial Distribution Function - 145 / weighted by mass RDF descriptors1799 RDF150m Radial Distribution Function - 150 / weighted by mass RDF descriptors1800 RDF155m Radial Distribution Function - 155 / weighted by mass RDF descriptors1801 RDF010v Radial Distribution Function - 010 / weighted by van der Waals volume RDF descriptors1802 RDF015v Radial Distribution Function - 015 / weighted by van der Waals volume RDF descriptors1803 RDF020v Radial Distribution Function - 020 / weighted by van der Waals volume RDF descriptors1804 RDF025v Radial Distribution Function - 025 / weighted by van der Waals volume RDF descriptors1805 RDF030v Radial Distribution Function - 030 / weighted by van der Waals volume RDF descriptors1806 RDF035v Radial Distribution Function - 035 / weighted by van der Waals volume RDF descriptors1807 RDF040v Radial Distribution Function - 040 / weighted by van der Waals volume RDF descriptors1808 RDF045v Radial Distribution Function - 045 / weighted by van der Waals volume RDF descriptors1809 RDF050v Radial Distribution Function - 050 / weighted by van der Waals volume RDF descriptors1810 RDF055v Radial Distribution Function - 055 / weighted by van der Waals volume RDF descriptors1811 RDF060v Radial Distribution Function - 060 / weighted by van der Waals volume RDF descriptors1812 RDF065v Radial Distribution Function - 065 / weighted by van der Waals volume RDF descriptors1813 RDF070v Radial Distribution Function - 070 / weighted by van der Waals volume RDF descriptors1814 RDF075v Radial Distribution Function - 075 / weighted by van der Waals volume RDF descriptors1815 RDF080v Radial Distribution Function - 080 / weighted by van der Waals volume RDF descriptors1816 RDF085v Radial Distribution Function - 085 / weighted by van der Waals volume RDF descriptors1817 RDF090v Radial Distribution Function - 090 / weighted by van der Waals volume RDF descriptors1818 RDF095v Radial Distribution Function - 095 / weighted by van der Waals volume RDF descriptors1819 RDF100v Radial Distribution Function - 100 / weighted by van der Waals volume RDF descriptors1820 RDF105v Radial Distribution Function - 105 / weighted by van der Waals volume RDF descriptors

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1821 RDF110v Radial Distribution Function - 110 / weighted by van der Waals volume RDF descriptors1822 RDF115v Radial Distribution Function - 115 / weighted by van der Waals volume RDF descriptors1823 RDF120v Radial Distribution Function - 120 / weighted by van der Waals volume RDF descriptors1824 RDF125v Radial Distribution Function - 125 / weighted by van der Waals volume RDF descriptors1825 RDF130v Radial Distribution Function - 130 / weighted by van der Waals volume RDF descriptors1826 RDF135v Radial Distribution Function - 135 / weighted by van der Waals volume RDF descriptors1827 RDF140v Radial Distribution Function - 140 / weighted by van der Waals volume RDF descriptors1828 RDF145v Radial Distribution Function - 145 / weighted by van der Waals volume RDF descriptors1829 RDF150v Radial Distribution Function - 150 / weighted by van der Waals volume RDF descriptors1830 RDF155v Radial Distribution Function - 155 / weighted by van der Waals volume RDF descriptors1831 RDF010e Radial Distribution Function - 010 / weighted by Sanderson electronegativity RDF descriptors1832 RDF015e Radial Distribution Function - 015 / weighted by Sanderson electronegativity RDF descriptors1833 RDF020e Radial Distribution Function - 020 / weighted by Sanderson electronegativity RDF descriptors1834 RDF025e Radial Distribution Function - 025 / weighted by Sanderson electronegativity RDF descriptors1835 RDF030e Radial Distribution Function - 030 / weighted by Sanderson electronegativity RDF descriptors1836 RDF035e Radial Distribution Function - 035 / weighted by Sanderson electronegativity RDF descriptors1837 RDF040e Radial Distribution Function - 040 / weighted by Sanderson electronegativity RDF descriptors1838 RDF045e Radial Distribution Function - 045 / weighted by Sanderson electronegativity RDF descriptors1839 RDF050e Radial Distribution Function - 050 / weighted by Sanderson electronegativity RDF descriptors1840 RDF055e Radial Distribution Function - 055 / weighted by Sanderson electronegativity RDF descriptors1841 RDF060e Radial Distribution Function - 060 / weighted by Sanderson electronegativity RDF descriptors1842 RDF065e Radial Distribution Function - 065 / weighted by Sanderson electronegativity RDF descriptors1843 RDF070e Radial Distribution Function - 070 / weighted by Sanderson electronegativity RDF descriptors1844 RDF075e Radial Distribution Function - 075 / weighted by Sanderson electronegativity RDF descriptors1845 RDF080e Radial Distribution Function - 080 / weighted by Sanderson electronegativity RDF descriptors1846 RDF085e Radial Distribution Function - 085 / weighted by Sanderson electronegativity RDF descriptors1847 RDF090e Radial Distribution Function - 090 / weighted by Sanderson electronegativity RDF descriptors1848 RDF095e Radial Distribution Function - 095 / weighted by Sanderson electronegativity RDF descriptors1849 RDF100e Radial Distribution Function - 100 / weighted by Sanderson electronegativity RDF descriptors1850 RDF105e Radial Distribution Function - 105 / weighted by Sanderson electronegativity RDF descriptors1851 RDF110e Radial Distribution Function - 110 / weighted by Sanderson electronegativity RDF descriptors1852 RDF115e Radial Distribution Function - 115 / weighted by Sanderson electronegativity RDF descriptors1853 RDF120e Radial Distribution Function - 120 / weighted by Sanderson electronegativity RDF descriptors1854 RDF125e Radial Distribution Function - 125 / weighted by Sanderson electronegativity RDF descriptors1855 RDF130e Radial Distribution Function - 130 / weighted by Sanderson electronegativity RDF descriptors1856 RDF135e Radial Distribution Function - 135 / weighted by Sanderson electronegativity RDF descriptors1857 RDF140e Radial Distribution Function - 140 / weighted by Sanderson electronegativity RDF descriptors1858 RDF145e Radial Distribution Function - 145 / weighted by Sanderson electronegativity RDF descriptors1859 RDF150e Radial Distribution Function - 150 / weighted by Sanderson electronegativity RDF descriptors1860 RDF155e Radial Distribution Function - 155 / weighted by Sanderson electronegativity RDF descriptors1861 RDF010p Radial Distribution Function - 010 / weighted by polarizability RDF descriptors1862 RDF015p Radial Distribution Function - 015 / weighted by polarizability RDF descriptors1863 RDF020p Radial Distribution Function - 020 / weighted by polarizability RDF descriptors1864 RDF025p Radial Distribution Function - 025 / weighted by polarizability RDF descriptors1865 RDF030p Radial Distribution Function - 030 / weighted by polarizability RDF descriptors1866 RDF035p Radial Distribution Function - 035 / weighted by polarizability RDF descriptors1867 RDF040p Radial Distribution Function - 040 / weighted by polarizability RDF descriptors1868 RDF045p Radial Distribution Function - 045 / weighted by polarizability RDF descriptors1869 RDF050p Radial Distribution Function - 050 / weighted by polarizability RDF descriptors1870 RDF055p Radial Distribution Function - 055 / weighted by polarizability RDF descriptors1871 RDF060p Radial Distribution Function - 060 / weighted by polarizability RDF descriptors1872 RDF065p Radial Distribution Function - 065 / weighted by polarizability RDF descriptors1873 RDF070p Radial Distribution Function - 070 / weighted by polarizability RDF descriptors1874 RDF075p Radial Distribution Function - 075 / weighted by polarizability RDF descriptors1875 RDF080p Radial Distribution Function - 080 / weighted by polarizability RDF descriptors1876 RDF085p Radial Distribution Function - 085 / weighted by polarizability RDF descriptors1877 RDF090p Radial Distribution Function - 090 / weighted by polarizability RDF descriptors1878 RDF095p Radial Distribution Function - 095 / weighted by polarizability RDF descriptors1879 RDF100p Radial Distribution Function - 100 / weighted by polarizability RDF descriptors1880 RDF105p Radial Distribution Function - 105 / weighted by polarizability RDF descriptors1881 RDF110p Radial Distribution Function - 110 / weighted by polarizability RDF descriptors1882 RDF115p Radial Distribution Function - 115 / weighted by polarizability RDF descriptors1883 RDF120p Radial Distribution Function - 120 / weighted by polarizability RDF descriptors1884 RDF125p Radial Distribution Function - 125 / weighted by polarizability RDF descriptors1885 RDF130p Radial Distribution Function - 130 / weighted by polarizability RDF descriptors1886 RDF135p Radial Distribution Function - 135 / weighted by polarizability RDF descriptors1887 RDF140p Radial Distribution Function - 140 / weighted by polarizability RDF descriptors1888 RDF145p Radial Distribution Function - 145 / weighted by polarizability RDF descriptors1889 RDF150p Radial Distribution Function - 150 / weighted by polarizability RDF descriptors1890 RDF155p Radial Distribution Function - 155 / weighted by polarizability RDF descriptors1891 RDF010i Radial Distribution Function - 010 / weighted by ionization potential RDF descriptors1892 RDF015i Radial Distribution Function - 015 / weighted by ionization potential RDF descriptors1893 RDF020i Radial Distribution Function - 020 / weighted by ionization potential RDF descriptors1894 RDF025i Radial Distribution Function - 025 / weighted by ionization potential RDF descriptors1895 RDF030i Radial Distribution Function - 030 / weighted by ionization potential RDF descriptors1896 RDF035i Radial Distribution Function - 035 / weighted by ionization potential RDF descriptors1897 RDF040i Radial Distribution Function - 040 / weighted by ionization potential RDF descriptors1898 RDF045i Radial Distribution Function - 045 / weighted by ionization potential RDF descriptors1899 RDF050i Radial Distribution Function - 050 / weighted by ionization potential RDF descriptors1900 RDF055i Radial Distribution Function - 055 / weighted by ionization potential RDF descriptors1901 RDF060i Radial Distribution Function - 060 / weighted by ionization potential RDF descriptors1902 RDF065i Radial Distribution Function - 065 / weighted by ionization potential RDF descriptors1903 RDF070i Radial Distribution Function - 070 / weighted by ionization potential RDF descriptors1904 RDF075i Radial Distribution Function - 075 / weighted by ionization potential RDF descriptors1905 RDF080i Radial Distribution Function - 080 / weighted by ionization potential RDF descriptors1906 RDF085i Radial Distribution Function - 085 / weighted by ionization potential RDF descriptors1907 RDF090i Radial Distribution Function - 090 / weighted by ionization potential RDF descriptors1908 RDF095i Radial Distribution Function - 095 / weighted by ionization potential RDF descriptors1909 RDF100i Radial Distribution Function - 100 / weighted by ionization potential RDF descriptors1910 RDF105i Radial Distribution Function - 105 / weighted by ionization potential RDF descriptors1911 RDF110i Radial Distribution Function - 110 / weighted by ionization potential RDF descriptors1912 RDF115i Radial Distribution Function - 115 / weighted by ionization potential RDF descriptors1913 RDF120i Radial Distribution Function - 120 / weighted by ionization potential RDF descriptors1914 RDF125i Radial Distribution Function - 125 / weighted by ionization potential RDF descriptors1915 RDF130i Radial Distribution Function - 130 / weighted by ionization potential RDF descriptors1916 RDF135i Radial Distribution Function - 135 / weighted by ionization potential RDF descriptors

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1917 RDF140i Radial Distribution Function - 140 / weighted by ionization potential RDF descriptors1918 RDF145i Radial Distribution Function - 145 / weighted by ionization potential RDF descriptors1919 RDF150i Radial Distribution Function - 150 / weighted by ionization potential RDF descriptors1920 RDF155i Radial Distribution Function - 155 / weighted by ionization potential RDF descriptors1921 RDF010s Radial Distribution Function - 010 / weighted by I-state RDF descriptors1922 RDF015s Radial Distribution Function - 015 / weighted by I-state RDF descriptors1923 RDF020s Radial Distribution Function - 020 / weighted by I-state RDF descriptors1924 RDF025s Radial Distribution Function - 025 / weighted by I-state RDF descriptors1925 RDF030s Radial Distribution Function - 030 / weighted by I-state RDF descriptors1926 RDF035s Radial Distribution Function - 035 / weighted by I-state RDF descriptors1927 RDF040s Radial Distribution Function - 040 / weighted by I-state RDF descriptors1928 RDF045s Radial Distribution Function - 045 / weighted by I-state RDF descriptors1929 RDF050s Radial Distribution Function - 050 / weighted by I-state RDF descriptors1930 RDF055s Radial Distribution Function - 055 / weighted by I-state RDF descriptors1931 RDF060s Radial Distribution Function - 060 / weighted by I-state RDF descriptors1932 RDF065s Radial Distribution Function - 065 / weighted by I-state RDF descriptors1933 RDF070s Radial Distribution Function - 070 / weighted by I-state RDF descriptors1934 RDF075s Radial Distribution Function - 075 / weighted by I-state RDF descriptors1935 RDF080s Radial Distribution Function - 080 / weighted by I-state RDF descriptors1936 RDF085s Radial Distribution Function - 085 / weighted by I-state RDF descriptors1937 RDF090s Radial Distribution Function - 090 / weighted by I-state RDF descriptors1938 RDF095s Radial Distribution Function - 095 / weighted by I-state RDF descriptors1939 RDF100s Radial Distribution Function - 100 / weighted by I-state RDF descriptors1940 RDF105s Radial Distribution Function - 105 / weighted by I-state RDF descriptors1941 RDF110s Radial Distribution Function - 110 / weighted by I-state RDF descriptors1942 RDF115s Radial Distribution Function - 115 / weighted by I-state RDF descriptors1943 RDF120s Radial Distribution Function - 120 / weighted by I-state RDF descriptors1944 RDF125s Radial Distribution Function - 125 / weighted by I-state RDF descriptors1945 RDF130s Radial Distribution Function - 130 / weighted by I-state RDF descriptors1946 RDF135s Radial Distribution Function - 135 / weighted by I-state RDF descriptors1947 RDF140s Radial Distribution Function - 140 / weighted by I-state RDF descriptors1948 RDF145s Radial Distribution Function - 145 / weighted by I-state RDF descriptors1949 RDF150s Radial Distribution Function - 150 / weighted by I-state RDF descriptors1950 RDF155s Radial Distribution Function - 155 / weighted by I-state RDF descriptors1951 Mor01u signal 01 / unweighted 3D-MoRSE descriptors1952 Mor02u signal 02 / unweighted 3D-MoRSE descriptors1953 Mor03u signal 03 / unweighted 3D-MoRSE descriptors1954 Mor04u signal 04 / unweighted 3D-MoRSE descriptors1955 Mor05u signal 05 / unweighted 3D-MoRSE descriptors1956 Mor06u signal 06 / unweighted 3D-MoRSE descriptors1957 Mor07u signal 07 / unweighted 3D-MoRSE descriptors1958 Mor08u signal 08 / unweighted 3D-MoRSE descriptors1959 Mor09u signal 09 / unweighted 3D-MoRSE descriptors1960 Mor10u signal 10 / unweighted 3D-MoRSE descriptors1961 Mor11u signal 11 / unweighted 3D-MoRSE descriptors1962 Mor12u signal 12 / unweighted 3D-MoRSE descriptors1963 Mor13u signal 13 / unweighted 3D-MoRSE descriptors1964 Mor14u signal 14 / unweighted 3D-MoRSE descriptors1965 Mor15u signal 15 / unweighted 3D-MoRSE descriptors1966 Mor16u signal 16 / unweighted 3D-MoRSE descriptors1967 Mor17u signal 17 / unweighted 3D-MoRSE descriptors1968 Mor18u signal 18 / unweighted 3D-MoRSE descriptors1969 Mor19u signal 19 / unweighted 3D-MoRSE descriptors1970 Mor20u signal 20 / unweighted 3D-MoRSE descriptors1971 Mor21u signal 21 / unweighted 3D-MoRSE descriptors1972 Mor22u signal 22 / unweighted 3D-MoRSE descriptors1973 Mor23u signal 23 / unweighted 3D-MoRSE descriptors1974 Mor24u signal 24 / unweighted 3D-MoRSE descriptors1975 Mor25u signal 25 / unweighted 3D-MoRSE descriptors1976 Mor26u signal 26 / unweighted 3D-MoRSE descriptors1977 Mor27u signal 27 / unweighted 3D-MoRSE descriptors1978 Mor28u signal 28 / unweighted 3D-MoRSE descriptors1979 Mor29u signal 29 / unweighted 3D-MoRSE descriptors1980 Mor30u signal 30 / unweighted 3D-MoRSE descriptors1981 Mor31u signal 31 / unweighted 3D-MoRSE descriptors1982 Mor32u signal 32 / unweighted 3D-MoRSE descriptors1983 Mor01m signal 01 / weighted by mass 3D-MoRSE descriptors1984 Mor02m signal 02 / weighted by mass 3D-MoRSE descriptors1985 Mor03m signal 03 / weighted by mass 3D-MoRSE descriptors1986 Mor04m signal 04 / weighted by mass 3D-MoRSE descriptors1987 Mor05m signal 05 / weighted by mass 3D-MoRSE descriptors1988 Mor06m signal 06 / weighted by mass 3D-MoRSE descriptors1989 Mor07m signal 07 / weighted by mass 3D-MoRSE descriptors1990 Mor08m signal 08 / weighted by mass 3D-MoRSE descriptors1991 Mor09m signal 09 / weighted by mass 3D-MoRSE descriptors1992 Mor10m signal 10 / weighted by mass 3D-MoRSE descriptors1993 Mor11m signal 11 / weighted by mass 3D-MoRSE descriptors1994 Mor12m signal 12 / weighted by mass 3D-MoRSE descriptors1995 Mor13m signal 13 / weighted by mass 3D-MoRSE descriptors1996 Mor14m signal 14 / weighted by mass 3D-MoRSE descriptors1997 Mor15m signal 15 / weighted by mass 3D-MoRSE descriptors1998 Mor16m signal 16 / weighted by mass 3D-MoRSE descriptors1999 Mor17m signal 17 / weighted by mass 3D-MoRSE descriptors2000 Mor18m signal 18 / weighted by mass 3D-MoRSE descriptors2001 Mor19m signal 19 / weighted by mass 3D-MoRSE descriptors2002 Mor20m signal 20 / weighted by mass 3D-MoRSE descriptors2003 Mor21m signal 21 / weighted by mass 3D-MoRSE descriptors2004 Mor22m signal 22 / weighted by mass 3D-MoRSE descriptors2005 Mor23m signal 23 / weighted by mass 3D-MoRSE descriptors2006 Mor24m signal 24 / weighted by mass 3D-MoRSE descriptors2007 Mor25m signal 25 / weighted by mass 3D-MoRSE descriptors2008 Mor26m signal 26 / weighted by mass 3D-MoRSE descriptors2009 Mor27m signal 27 / weighted by mass 3D-MoRSE descriptors2010 Mor28m signal 28 / weighted by mass 3D-MoRSE descriptors2011 Mor29m signal 29 / weighted by mass 3D-MoRSE descriptors2012 Mor30m signal 30 / weighted by mass 3D-MoRSE descriptors

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2013 Mor31m signal 31 / weighted by mass 3D-MoRSE descriptors2014 Mor32m signal 32 / weighted by mass 3D-MoRSE descriptors2015 Mor01v signal 01 / weighted by van der Waals volume 3D-MoRSE descriptors2016 Mor02v signal 02 / weighted by van der Waals volume 3D-MoRSE descriptors2017 Mor03v signal 03 / weighted by van der Waals volume 3D-MoRSE descriptors2018 Mor04v signal 04 / weighted by van der Waals volume 3D-MoRSE descriptors2019 Mor05v signal 05 / weighted by van der Waals volume 3D-MoRSE descriptors2020 Mor06v signal 06 / weighted by van der Waals volume 3D-MoRSE descriptors2021 Mor07v signal 07 / weighted by van der Waals volume 3D-MoRSE descriptors2022 Mor08v signal 08 / weighted by van der Waals volume 3D-MoRSE descriptors2023 Mor09v signal 09 / weighted by van der Waals volume 3D-MoRSE descriptors2024 Mor10v signal 10 / weighted by van der Waals volume 3D-MoRSE descriptors2025 Mor11v signal 11 / weighted by van der Waals volume 3D-MoRSE descriptors2026 Mor12v signal 12 / weighted by van der Waals volume 3D-MoRSE descriptors2027 Mor13v signal 13 / weighted by van der Waals volume 3D-MoRSE descriptors2028 Mor14v signal 14 / weighted by van der Waals volume 3D-MoRSE descriptors2029 Mor15v signal 15 / weighted by van der Waals volume 3D-MoRSE descriptors2030 Mor16v signal 16 / weighted by van der Waals volume 3D-MoRSE descriptors2031 Mor17v signal 17 / weighted by van der Waals volume 3D-MoRSE descriptors2032 Mor18v signal 18 / weighted by van der Waals volume 3D-MoRSE descriptors2033 Mor19v signal 19 / weighted by van der Waals volume 3D-MoRSE descriptors2034 Mor20v signal 20 / weighted by van der Waals volume 3D-MoRSE descriptors2035 Mor21v signal 21 / weighted by van der Waals volume 3D-MoRSE descriptors2036 Mor22v signal 22 / weighted by van der Waals volume 3D-MoRSE descriptors2037 Mor23v signal 23 / weighted by van der Waals volume 3D-MoRSE descriptors2038 Mor24v signal 24 / weighted by van der Waals volume 3D-MoRSE descriptors2039 Mor25v signal 25 / weighted by van der Waals volume 3D-MoRSE descriptors2040 Mor26v signal 26 / weighted by van der Waals volume 3D-MoRSE descriptors2041 Mor27v signal 27 / weighted by van der Waals volume 3D-MoRSE descriptors2042 Mor28v signal 28 / weighted by van der Waals volume 3D-MoRSE descriptors2043 Mor29v signal 29 / weighted by van der Waals volume 3D-MoRSE descriptors2044 Mor30v signal 30 / weighted by van der Waals volume 3D-MoRSE descriptors2045 Mor31v signal 31 / weighted by van der Waals volume 3D-MoRSE descriptors2046 Mor32v signal 32 / weighted by van der Waals volume 3D-MoRSE descriptors2047 Mor01e signal 01 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2048 Mor02e signal 02 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2049 Mor03e signal 03 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2050 Mor04e signal 04 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2051 Mor05e signal 05 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2052 Mor06e signal 06 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2053 Mor07e signal 07 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2054 Mor08e signal 08 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2055 Mor09e signal 09 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2056 Mor10e signal 10 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2057 Mor11e signal 11 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2058 Mor12e signal 12 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2059 Mor13e signal 13 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2060 Mor14e signal 14 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2061 Mor15e signal 15 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2062 Mor16e signal 16 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2063 Mor17e signal 17 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2064 Mor18e signal 18 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2065 Mor19e signal 19 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2066 Mor20e signal 20 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2067 Mor21e signal 21 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2068 Mor22e signal 22 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2069 Mor23e signal 23 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2070 Mor24e signal 24 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2071 Mor25e signal 25 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2072 Mor26e signal 26 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2073 Mor27e signal 27 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2074 Mor28e signal 28 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2075 Mor29e signal 29 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2076 Mor30e signal 30 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2077 Mor31e signal 31 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2078 Mor32e signal 32 / weighted by Sanderson electronegativity 3D-MoRSE descriptors2079 Mor01p signal 01 / weighted by polarizability 3D-MoRSE descriptors2080 Mor02p signal 02 / weighted by polarizability 3D-MoRSE descriptors2081 Mor03p signal 03 / weighted by polarizability 3D-MoRSE descriptors2082 Mor04p signal 04 / weighted by polarizability 3D-MoRSE descriptors2083 Mor05p signal 05 / weighted by polarizability 3D-MoRSE descriptors2084 Mor06p signal 06 / weighted by polarizability 3D-MoRSE descriptors2085 Mor07p signal 07 / weighted by polarizability 3D-MoRSE descriptors2086 Mor08p signal 08 / weighted by polarizability 3D-MoRSE descriptors2087 Mor09p signal 09 / weighted by polarizability 3D-MoRSE descriptors2088 Mor10p signal 10 / weighted by polarizability 3D-MoRSE descriptors2089 Mor11p signal 11 / weighted by polarizability 3D-MoRSE descriptors2090 Mor12p signal 12 / weighted by polarizability 3D-MoRSE descriptors2091 Mor13p signal 13 / weighted by polarizability 3D-MoRSE descriptors2092 Mor14p signal 14 / weighted by polarizability 3D-MoRSE descriptors2093 Mor15p signal 15 / weighted by polarizability 3D-MoRSE descriptors2094 Mor16p signal 16 / weighted by polarizability 3D-MoRSE descriptors2095 Mor17p signal 17 / weighted by polarizability 3D-MoRSE descriptors2096 Mor18p signal 18 / weighted by polarizability 3D-MoRSE descriptors2097 Mor19p signal 19 / weighted by polarizability 3D-MoRSE descriptors2098 Mor20p signal 20 / weighted by polarizability 3D-MoRSE descriptors2099 Mor21p signal 21 / weighted by polarizability 3D-MoRSE descriptors2100 Mor22p signal 22 / weighted by polarizability 3D-MoRSE descriptors2101 Mor23p signal 23 / weighted by polarizability 3D-MoRSE descriptors2102 Mor24p signal 24 / weighted by polarizability 3D-MoRSE descriptors2103 Mor25p signal 25 / weighted by polarizability 3D-MoRSE descriptors2104 Mor26p signal 26 / weighted by polarizability 3D-MoRSE descriptors2105 Mor27p signal 27 / weighted by polarizability 3D-MoRSE descriptors2106 Mor28p signal 28 / weighted by polarizability 3D-MoRSE descriptors2107 Mor29p signal 29 / weighted by polarizability 3D-MoRSE descriptors2108 Mor30p signal 30 / weighted by polarizability 3D-MoRSE descriptors

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2109 Mor31p signal 31 / weighted by polarizability 3D-MoRSE descriptors2110 Mor32p signal 32 / weighted by polarizability 3D-MoRSE descriptors2111 Mor01i signal 01 / weighted by ionization potential 3D-MoRSE descriptors2112 Mor02i signal 02 / weighted by ionization potential 3D-MoRSE descriptors2113 Mor03i signal 03 / weighted by ionization potential 3D-MoRSE descriptors2114 Mor04i signal 04 / weighted by ionization potential 3D-MoRSE descriptors2115 Mor05i signal 05 / weighted by ionization potential 3D-MoRSE descriptors2116 Mor06i signal 06 / weighted by ionization potential 3D-MoRSE descriptors2117 Mor07i signal 07 / weighted by ionization potential 3D-MoRSE descriptors2118 Mor08i signal 08 / weighted by ionization potential 3D-MoRSE descriptors2119 Mor09i signal 09 / weighted by ionization potential 3D-MoRSE descriptors2120 Mor10i signal 10 / weighted by ionization potential 3D-MoRSE descriptors2121 Mor11i signal 11 / weighted by ionization potential 3D-MoRSE descriptors2122 Mor12i signal 12 / weighted by ionization potential 3D-MoRSE descriptors2123 Mor13i signal 13 / weighted by ionization potential 3D-MoRSE descriptors2124 Mor14i signal 14 / weighted by ionization potential 3D-MoRSE descriptors2125 Mor15i signal 15 / weighted by ionization potential 3D-MoRSE descriptors2126 Mor16i signal 16 / weighted by ionization potential 3D-MoRSE descriptors2127 Mor17i signal 17 / weighted by ionization potential 3D-MoRSE descriptors2128 Mor18i signal 18 / weighted by ionization potential 3D-MoRSE descriptors2129 Mor19i signal 19 / weighted by ionization potential 3D-MoRSE descriptors2130 Mor20i signal 20 / weighted by ionization potential 3D-MoRSE descriptors2131 Mor21i signal 21 / weighted by ionization potential 3D-MoRSE descriptors2132 Mor22i signal 22 / weighted by ionization potential 3D-MoRSE descriptors2133 Mor23i signal 23 / weighted by ionization potential 3D-MoRSE descriptors2134 Mor24i signal 24 / weighted by ionization potential 3D-MoRSE descriptors2135 Mor25i signal 25 / weighted by ionization potential 3D-MoRSE descriptors2136 Mor26i signal 26 / weighted by ionization potential 3D-MoRSE descriptors2137 Mor27i signal 27 / weighted by ionization potential 3D-MoRSE descriptors2138 Mor28i signal 28 / weighted by ionization potential 3D-MoRSE descriptors2139 Mor29i signal 29 / weighted by ionization potential 3D-MoRSE descriptors2140 Mor30i signal 30 / weighted by ionization potential 3D-MoRSE descriptors2141 Mor31i signal 31 / weighted by ionization potential 3D-MoRSE descriptors2142 Mor32i signal 32 / weighted by ionization potential 3D-MoRSE descriptors2143 Mor01s signal 01 / weighted by I-state 3D-MoRSE descriptors2144 Mor02s signal 02 / weighted by I-state 3D-MoRSE descriptors2145 Mor03s signal 03 / weighted by I-state 3D-MoRSE descriptors2146 Mor04s signal 04 / weighted by I-state 3D-MoRSE descriptors2147 Mor05s signal 05 / weighted by I-state 3D-MoRSE descriptors2148 Mor06s signal 06 / weighted by I-state 3D-MoRSE descriptors2149 Mor07s signal 07 / weighted by I-state 3D-MoRSE descriptors2150 Mor08s signal 08 / weighted by I-state 3D-MoRSE descriptors2151 Mor09s signal 09 / weighted by I-state 3D-MoRSE descriptors2152 Mor10s signal 10 / weighted by I-state 3D-MoRSE descriptors2153 Mor11s signal 11 / weighted by I-state 3D-MoRSE descriptors2154 Mor12s signal 12 / weighted by I-state 3D-MoRSE descriptors2155 Mor13s signal 13 / weighted by I-state 3D-MoRSE descriptors2156 Mor14s signal 14 / weighted by I-state 3D-MoRSE descriptors2157 Mor15s signal 15 / weighted by I-state 3D-MoRSE descriptors2158 Mor16s signal 16 / weighted by I-state 3D-MoRSE descriptors2159 Mor17s signal 17 / weighted by I-state 3D-MoRSE descriptors2160 Mor18s signal 18 / weighted by I-state 3D-MoRSE descriptors2161 Mor19s signal 19 / weighted by I-state 3D-MoRSE descriptors2162 Mor20s signal 20 / weighted by I-state 3D-MoRSE descriptors2163 Mor21s signal 21 / weighted by I-state 3D-MoRSE descriptors2164 Mor22s signal 22 / weighted by I-state 3D-MoRSE descriptors2165 Mor23s signal 23 / weighted by I-state 3D-MoRSE descriptors2166 Mor24s signal 24 / weighted by I-state 3D-MoRSE descriptors2167 Mor25s signal 25 / weighted by I-state 3D-MoRSE descriptors2168 Mor26s signal 26 / weighted by I-state 3D-MoRSE descriptors2169 Mor27s signal 27 / weighted by I-state 3D-MoRSE descriptors2170 Mor28s signal 28 / weighted by I-state 3D-MoRSE descriptors2171 Mor29s signal 29 / weighted by I-state 3D-MoRSE descriptors2172 Mor30s signal 30 / weighted by I-state 3D-MoRSE descriptors2173 Mor31s signal 31 / weighted by I-state 3D-MoRSE descriptors2174 Mor32s signal 32 / weighted by I-state 3D-MoRSE descriptors2175 L1u 1st component size directional WHIM index / unweighted WHIM descriptors2176 L2u 2nd component size directional WHIM index / unweighted WHIM descriptors2177 L3u 3rd component size directional WHIM index / unweighted WHIM descriptors2178 P1u 1st component shape directional WHIM index / unweighted WHIM descriptors2179 P2u 2nd component shape directional WHIM index / unweighted WHIM descriptors2180 G1u 1st component symmetry directional WHIM index / unweighted WHIM descriptors2181 G2u 2nd component symmetry directional WHIM index / unweighted WHIM descriptors2182 G3u 3rd component symmetry directional WHIM index / unweighted WHIM descriptors2183 E1u 1st component accessibility directional WHIM index / unweighted WHIM descriptors2184 E2u 2nd component accessibility directional WHIM index / unweighted WHIM descriptors2185 E3u 3rd component accessibility directional WHIM index / unweighted WHIM descriptors2186 L1m 1st component size directional WHIM index / weighted by mass WHIM descriptors2187 L2m 2nd component size directional WHIM index / weighted by mass WHIM descriptors2188 L3m 3rd component size directional WHIM index / weighted by mass WHIM descriptors2189 P1m 1st component shape directional WHIM index / weighted by mass WHIM descriptors2190 P2m 2nd component shape directional WHIM index / weighted by mass WHIM descriptors2191 G1m 1st component symmetry directional WHIM index / weighted by mass WHIM descriptors2192 G2m 2nd component symmetry directional WHIM index / weighted by mass WHIM descriptors2193 G3m 3rd component symmetry directional WHIM index / weighted by mass WHIM descriptors2194 E1m 1st component accessibility directional WHIM index / weighted by mass WHIM descriptors2195 E2m 2nd component accessibility directional WHIM index / weighted by mass WHIM descriptors2196 E3m 3rd component accessibility directional WHIM index / weighted by mass WHIM descriptors2197 L1v 1st component size directional WHIM index / weighted by van der Waals volume WHIM descriptors2198 L2v 2nd component size directional WHIM index / weighted by van der Waals volume WHIM descriptors2199 L3v 3rd component size directional WHIM index / weighted by van der Waals volume WHIM descriptors2200 P1v 1st component shape directional WHIM index / weighted by van der Waals volume WHIM descriptors2201 P2v 2nd component shape directional WHIM index / weighted by van der Waals volume WHIM descriptors2202 G1v 1st component symmetry directional WHIM index / weighted by van der Waals volume WHIM descriptors2203 G2v 2nd component symmetry directional WHIM index / weighted by van der Waals volume WHIM descriptors2204 G3v 3rd component symmetry directional WHIM index / weighted by van der Waals volume WHIM descriptors

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2205 E1v 1st component accessibility directional WHIM index / weighted by van der Waals volume WHIM descriptors2206 E2v 2nd component accessibility directional WHIM index / weighted by van der Waals volume WHIM descriptors2207 E3v 3rd component accessibility directional WHIM index / weighted by van der Waals volume WHIM descriptors2208 L1e 1st component size directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2209 L2e 2nd component size directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2210 L3e 3rd component size directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2211 P1e 1st component shape directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2212 P2e 2nd component shape directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2213 G1e 1st component symmetry directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2214 G2e 2nd component symmetry directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2215 G3e 3rd component symmetry directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2216 E1e 1st component accessibility directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2217 E2e 2nd component accessibility directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2218 E3e 3rd component accessibility directional WHIM index / weighted by Sanderson electronegativity WHIM descriptors2219 L1p 1st component size directional WHIM index / weighted by polarizability WHIM descriptors2220 L2p 2nd component size directional WHIM index / weighted by polarizability WHIM descriptors2221 L3p 3rd component size directional WHIM index / weighted by polarizability WHIM descriptors2222 P1p 1st component shape directional WHIM index / weighted by polarizability WHIM descriptors2223 P2p 2nd component shape directional WHIM index / weighted by polarizability WHIM descriptors2224 G1p 1st component symmetry directional WHIM index / weighted by polarizability WHIM descriptors2225 G2p 2nd component symmetry directional WHIM index / weighted by polarizability WHIM descriptors2226 G3p 3rd component symmetry directional WHIM index / weighted by polarizability WHIM descriptors2227 E1p 1st component accessibility directional WHIM index / weighted by polarizability WHIM descriptors2228 E2p 2nd component accessibility directional WHIM index / weighted by polarizability WHIM descriptors2229 E3p 3rd component accessibility directional WHIM index / weighted by polarizability WHIM descriptors2230 L1i 1st component size directional WHIM index / weighted by ionization potential WHIM descriptors2231 L2i 2nd component size directional WHIM index / weighted by ionization potential WHIM descriptors2232 L3i 3rd component size directional WHIM index / weighted by ionization potential WHIM descriptors2233 P1i 1st component shape directional WHIM index / weighted by ionization potential WHIM descriptors2234 P2i 2nd component shape directional WHIM index / weighted by ionization potential WHIM descriptors2235 G1i 1st component symmetry directional WHIM index / weighted by ionization potential WHIM descriptors2236 G2i 2nd component symmetry directional WHIM index / weighted by ionization potential WHIM descriptors2237 G3i 3rd component symmetry directional WHIM index / weighted by ionization potential WHIM descriptors2238 E1i 1st component accessibility directional WHIM index / weighted by ionization potential WHIM descriptors2239 E2i 2nd component accessibility directional WHIM index / weighted by ionization potential WHIM descriptors2240 E3i 3rd component accessibility directional WHIM index / weighted by ionization potential WHIM descriptors2241 L1s 1st component size directional WHIM index / weighted by I-state WHIM descriptors2242 L2s 2nd component size directional WHIM index / weighted by I-state WHIM descriptors2243 L3s 3rd component size directional WHIM index / weighted by I-state WHIM descriptors2244 P1s 1st component shape directional WHIM index / weighted by I-state WHIM descriptors2245 P2s 2nd component shape directional WHIM index / weighted by I-state WHIM descriptors2246 G1s 1st component symmetry directional WHIM index / weighted by I-state WHIM descriptors2247 G2s 2nd component symmetry directional WHIM index / weighted by I-state WHIM descriptors2248 G3s 3rd component symmetry directional WHIM index / weighted by I-state WHIM descriptors2249 E1s 1st component accessibility directional WHIM index / weighted by I-state WHIM descriptors2250 E2s 2nd component accessibility directional WHIM index / weighted by I-state WHIM descriptors2251 E3s 3rd component accessibility directional WHIM index / weighted by I-state WHIM descriptors2252 Tu T total size index / unweighted WHIM descriptors2253 Tm T total size index / weighted by mass WHIM descriptors2254 Tv T total size index / weighted by van der Waals volume WHIM descriptors2255 Te T total size index / weighted by Sanderson electronegativity WHIM descriptors2256 Tp T total size index / weighted by polarizability WHIM descriptors2257 Ti T total size index / weighted by ionization potential WHIM descriptors2258 Ts T total size index / weighted by I-state WHIM descriptors2259 Au A total size index / unweighted WHIM descriptors2260 Am A total size index / weighted by mass WHIM descriptors2261 Av A total size index / weighted by van der Waals volume WHIM descriptors2262 Ae A total size index / weighted by Sanderson electronegativity WHIM descriptors2263 Ap A total size index / weighted by polarizability WHIM descriptors2264 Ai A total size index / weighted by ionization potential WHIM descriptors2265 As A total size index / weighted by I-state WHIM descriptors2266 Gu total symmetry index / unweighted WHIM descriptors2267 Gm total symmetry index / weighted by mass WHIM descriptors2268 Ku K global shape index / unweighted WHIM descriptors2269 Km K global shape index / weighted by mass WHIM descriptors2270 Kv K global shape index / weighted by van der Waals volume WHIM descriptors2271 Ke K global shape index / weighted by Sanderson electronegativity WHIM descriptors2272 Kp K global shape index / weighted by polarizability WHIM descriptors2273 Ki K global shape index / weighted by ionization potential WHIM descriptors2274 Ks K global shape index / weighted by I-state WHIM descriptors2275 Du D total accessibility index / unweighted WHIM descriptors2276 Dm D total accessibility index / weighted by mass WHIM descriptors2277 Dv D total accessibility index / weighted by van der Waals volume WHIM descriptors2278 De D total accessibility index / weighted by Sanderson electronegativity WHIM descriptors2279 Dp D total accessibility index / weighted by polarizability WHIM descriptors2280 Di D total accessibility index / weighted by ionization potential WHIM descriptors2281 Ds D total accessibility index / weighted by I-state WHIM descriptors2282 Vu V total size index / unweighted WHIM descriptors2283 Vm V total size index / weighted by mass WHIM descriptors2284 Vv V total size index / weighted by van der Waals volume WHIM descriptors2285 Ve V total size index / weighted by Sanderson electronegativity WHIM descriptors2286 Vp V total size index / weighted by polarizability WHIM descriptors2287 Vi V total size index / weighted by ionization potential WHIM descriptors2288 Vs V total size index / weighted by I-state WHIM descriptors2289 ITH total information content on the leverage equality GETAWAY descriptors2290 ISH standardized information content on the leverage equality GETAWAY descriptors2291 HIC mean information content on the leverage magnitude GETAWAY descriptors2292 HGM geometric mean on the leverage magnitude GETAWAY descriptors2293 H0u H autocorrelation of lag 0 / unweighted GETAWAY descriptors2294 H1u H autocorrelation of lag 1 / unweighted GETAWAY descriptors2295 H2u H autocorrelation of lag 2 / unweighted GETAWAY descriptors2296 H3u H autocorrelation of lag 3 / unweighted GETAWAY descriptors2297 H4u H autocorrelation of lag 4 / unweighted GETAWAY descriptors2298 H5u H autocorrelation of lag 5 / unweighted GETAWAY descriptors2299 H6u H autocorrelation of lag 6 / unweighted GETAWAY descriptors2300 H7u H autocorrelation of lag 7 / unweighted GETAWAY descriptors

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2301 H8u H autocorrelation of lag 8 / unweighted GETAWAY descriptors2302 HTu H total index / unweighted GETAWAY descriptors2303 HATS0u leverage-weighted autocorrelation of lag 0 / unweighted GETAWAY descriptors2304 HATS1u leverage-weighted autocorrelation of lag 1 / unweighted GETAWAY descriptors2305 HATS2u leverage-weighted autocorrelation of lag 2 / unweighted GETAWAY descriptors2306 HATS3u leverage-weighted autocorrelation of lag 3 / unweighted GETAWAY descriptors2307 HATS4u leverage-weighted autocorrelation of lag 4 / unweighted GETAWAY descriptors2308 HATS5u leverage-weighted autocorrelation of lag 5 / unweighted GETAWAY descriptors2309 HATS6u leverage-weighted autocorrelation of lag 6 / unweighted GETAWAY descriptors2310 HATS7u leverage-weighted autocorrelation of lag 7 / unweighted GETAWAY descriptors2311 HATS8u leverage-weighted autocorrelation of lag 8 / unweighted GETAWAY descriptors2312 HATSu leverage-weighted total index / unweighted GETAWAY descriptors2313 H0m H autocorrelation of lag 0 / weighted by mass GETAWAY descriptors2314 H1m H autocorrelation of lag 1 / weighted by mass GETAWAY descriptors2315 H2m H autocorrelation of lag 2 / weighted by mass GETAWAY descriptors2316 H3m H autocorrelation of lag 3 / weighted by mass GETAWAY descriptors2317 H4m H autocorrelation of lag 4 / weighted by mass GETAWAY descriptors2318 H5m H autocorrelation of lag 5 / weighted by mass GETAWAY descriptors2319 H6m H autocorrelation of lag 6 / weighted by mass GETAWAY descriptors2320 H7m H autocorrelation of lag 7 / weighted by mass GETAWAY descriptors2321 H8m H autocorrelation of lag 8 / weighted by mass GETAWAY descriptors2322 HTm H total index / weighted by mass GETAWAY descriptors2323 HATS0m leverage-weighted autocorrelation of lag 0 / weighted by mass GETAWAY descriptors2324 HATS1m leverage-weighted autocorrelation of lag 1 / weighted by mass GETAWAY descriptors2325 HATS2m leverage-weighted autocorrelation of lag 2 / weighted by mass GETAWAY descriptors2326 HATS3m leverage-weighted autocorrelation of lag 3 / weighted by mass GETAWAY descriptors2327 HATS4m leverage-weighted autocorrelation of lag 4 / weighted by mass GETAWAY descriptors2328 HATS5m leverage-weighted autocorrelation of lag 5 / weighted by mass GETAWAY descriptors2329 HATS6m leverage-weighted autocorrelation of lag 6 / weighted by mass GETAWAY descriptors2330 HATS7m leverage-weighted autocorrelation of lag 7 / weighted by mass GETAWAY descriptors2331 HATS8m leverage-weighted autocorrelation of lag 8 / weighted by mass GETAWAY descriptors2332 HATSm leverage-weighted total index / weighted by mass GETAWAY descriptors2333 H0v H autocorrelation of lag 0 / weighted by van der Waals volume GETAWAY descriptors2334 H1v H autocorrelation of lag 1 / weighted by van der Waals volume GETAWAY descriptors2335 H2v H autocorrelation of lag 2 / weighted by van der Waals volume GETAWAY descriptors2336 H3v H autocorrelation of lag 3 / weighted by van der Waals volume GETAWAY descriptors2337 H4v H autocorrelation of lag 4 / weighted by van der Waals volume GETAWAY descriptors2338 H5v H autocorrelation of lag 5 / weighted by van der Waals volume GETAWAY descriptors2339 H6v H autocorrelation of lag 6 / weighted by van der Waals volume GETAWAY descriptors2340 H7v H autocorrelation of lag 7 / weighted by van der Waals volume GETAWAY descriptors2341 H8v H autocorrelation of lag 8 / weighted by van der Waals volume GETAWAY descriptors2342 HTv H total index / weighted by van der Waals volume GETAWAY descriptors2343 HATS0v leverage-weighted autocorrelation of lag 0 / weighted by van der Waals volume GETAWAY descriptors2344 HATS1v leverage-weighted autocorrelation of lag 1 / weighted by van der Waals volume GETAWAY descriptors2345 HATS2v leverage-weighted autocorrelation of lag 2 / weighted by van der Waals volume GETAWAY descriptors2346 HATS3v leverage-weighted autocorrelation of lag 3 / weighted by van der Waals volume GETAWAY descriptors2347 HATS4v leverage-weighted autocorrelation of lag 4 / weighted by van der Waals volume GETAWAY descriptors2348 HATS5v leverage-weighted autocorrelation of lag 5 / weighted by van der Waals volume GETAWAY descriptors2349 HATS6v leverage-weighted autocorrelation of lag 6 / weighted by van der Waals volume GETAWAY descriptors2350 HATS7v leverage-weighted autocorrelation of lag 7 / weighted by van der Waals volume GETAWAY descriptors2351 HATS8v leverage-weighted autocorrelation of lag 8 / weighted by van der Waals volume GETAWAY descriptors2352 HATSv leverage-weighted total index / weighted by van der Waals volume GETAWAY descriptors2353 H0e H autocorrelation of lag 0 / weighted by Sanderson electronegativity GETAWAY descriptors2354 H1e H autocorrelation of lag 1 / weighted by Sanderson electronegativity GETAWAY descriptors2355 H2e H autocorrelation of lag 2 / weighted by Sanderson electronegativity GETAWAY descriptors2356 H3e H autocorrelation of lag 3 / weighted by Sanderson electronegativity GETAWAY descriptors2357 H4e H autocorrelation of lag 4 / weighted by Sanderson electronegativity GETAWAY descriptors2358 H5e H autocorrelation of lag 5 / weighted by Sanderson electronegativity GETAWAY descriptors2359 H6e H autocorrelation of lag 6 / weighted by Sanderson electronegativity GETAWAY descriptors2360 H7e H autocorrelation of lag 7 / weighted by Sanderson electronegativity GETAWAY descriptors2361 H8e H autocorrelation of lag 8 / weighted by Sanderson electronegativity GETAWAY descriptors2362 HTe H total index / weighted by Sanderson electronegativity GETAWAY descriptors2363 HATS0e leverage-weighted autocorrelation of lag 0 / weighted by Sanderson electronegativity GETAWAY descriptors2364 HATS1e leverage-weighted autocorrelation of lag 1 / weighted by Sanderson electronegativity GETAWAY descriptors2365 HATS2e leverage-weighted autocorrelation of lag 2 / weighted by Sanderson electronegativity GETAWAY descriptors2366 HATS3e leverage-weighted autocorrelation of lag 3 / weighted by Sanderson electronegativity GETAWAY descriptors2367 HATS4e leverage-weighted autocorrelation of lag 4 / weighted by Sanderson electronegativity GETAWAY descriptors2368 HATS5e leverage-weighted autocorrelation of lag 5 / weighted by Sanderson electronegativity GETAWAY descriptors2369 HATS6e leverage-weighted autocorrelation of lag 6 / weighted by Sanderson electronegativity GETAWAY descriptors2370 HATS7e leverage-weighted autocorrelation of lag 7 / weighted by Sanderson electronegativity GETAWAY descriptors2371 HATS8e leverage-weighted autocorrelation of lag 8 / weighted by Sanderson electronegativity GETAWAY descriptors2372 HATSe leverage-weighted total index / weighted by Sanderson electronegativity GETAWAY descriptors2373 H0p H autocorrelation of lag 0 / weighted by polarizability GETAWAY descriptors2374 H1p H autocorrelation of lag 1 / weighted by polarizability GETAWAY descriptors2375 H2p H autocorrelation of lag 2 / weighted by polarizability GETAWAY descriptors2376 H3p H autocorrelation of lag 3 / weighted by polarizability GETAWAY descriptors2377 H4p H autocorrelation of lag 4 / weighted by polarizability GETAWAY descriptors2378 H5p H autocorrelation of lag 5 / weighted by polarizability GETAWAY descriptors2379 H6p H autocorrelation of lag 6 / weighted by polarizability GETAWAY descriptors2380 H7p H autocorrelation of lag 7 / weighted by polarizability GETAWAY descriptors2381 H8p H autocorrelation of lag 8 / weighted by polarizability GETAWAY descriptors2382 HTp H total index / weighted by polarizability GETAWAY descriptors2383 HATS0p leverage-weighted autocorrelation of lag 0 / weighted by polarizability GETAWAY descriptors2384 HATS1p leverage-weighted autocorrelation of lag 1 / weighted by polarizability GETAWAY descriptors2385 HATS2p leverage-weighted autocorrelation of lag 2 / weighted by polarizability GETAWAY descriptors2386 HATS3p leverage-weighted autocorrelation of lag 3 / weighted by polarizability GETAWAY descriptors2387 HATS4p leverage-weighted autocorrelation of lag 4 / weighted by polarizability GETAWAY descriptors2388 HATS5p leverage-weighted autocorrelation of lag 5 / weighted by polarizability GETAWAY descriptors2389 HATS6p leverage-weighted autocorrelation of lag 6 / weighted by polarizability GETAWAY descriptors2390 HATS7p leverage-weighted autocorrelation of lag 7 / weighted by polarizability GETAWAY descriptors2391 HATS8p leverage-weighted autocorrelation of lag 8 / weighted by polarizability GETAWAY descriptors2392 HATSp leverage-weighted total index / weighted by polarizability GETAWAY descriptors2393 H0i H autocorrelation of lag 0 / weighted by ionization potential GETAWAY descriptors2394 H1i H autocorrelation of lag 1 / weighted by ionization potential GETAWAY descriptors2395 H2i H autocorrelation of lag 2 / weighted by ionization potential GETAWAY descriptors2396 H3i H autocorrelation of lag 3 / weighted by ionization potential GETAWAY descriptors

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2397 H4i H autocorrelation of lag 4 / weighted by ionization potential GETAWAY descriptors2398 H5i H autocorrelation of lag 5 / weighted by ionization potential GETAWAY descriptors2399 H6i H autocorrelation of lag 6 / weighted by ionization potential GETAWAY descriptors2400 H7i H autocorrelation of lag 7 / weighted by ionization potential GETAWAY descriptors2401 H8i H autocorrelation of lag 8 / weighted by ionization potential GETAWAY descriptors2402 HTi H total index / weighted by ionization potential GETAWAY descriptors2403 HATS0i leverage-weighted autocorrelation of lag 0 / weighted by ionization potential GETAWAY descriptors2404 HATS1i leverage-weighted autocorrelation of lag 1 / weighted by ionization potential GETAWAY descriptors2405 HATS2i leverage-weighted autocorrelation of lag 2 / weighted by ionization potential GETAWAY descriptors2406 HATS3i leverage-weighted autocorrelation of lag 3 / weighted by ionization potential GETAWAY descriptors2407 HATS4i leverage-weighted autocorrelation of lag 4 / weighted by ionization potential GETAWAY descriptors2408 HATS5i leverage-weighted autocorrelation of lag 5 / weighted by ionization potential GETAWAY descriptors2409 HATS6i leverage-weighted autocorrelation of lag 6 / weighted by ionization potential GETAWAY descriptors2410 HATS7i leverage-weighted autocorrelation of lag 7 / weighted by ionization potential GETAWAY descriptors2411 HATS8i leverage-weighted autocorrelation of lag 8 / weighted by ionization potential GETAWAY descriptors2412 HATSi leverage-weighted total index / weighted by ionization potential GETAWAY descriptors2413 H0s H autocorrelation of lag 0 / weighted by I-state GETAWAY descriptors2414 H1s H autocorrelation of lag 1 / weighted by I-state GETAWAY descriptors2415 H2s H autocorrelation of lag 2 / weighted by I-state GETAWAY descriptors2416 H3s H autocorrelation of lag 3 / weighted by I-state GETAWAY descriptors2417 H4s H autocorrelation of lag 4 / weighted by I-state GETAWAY descriptors2418 H5s H autocorrelation of lag 5 / weighted by I-state GETAWAY descriptors2419 H6s H autocorrelation of lag 6 / weighted by I-state GETAWAY descriptors2420 H7s H autocorrelation of lag 7 / weighted by I-state GETAWAY descriptors2421 H8s H autocorrelation of lag 8 / weighted by I-state GETAWAY descriptors2422 HTs H total index / weighted by I-state GETAWAY descriptors2423 HATS0s leverage-weighted autocorrelation of lag 0 / weighted by I-state GETAWAY descriptors2424 HATS1s leverage-weighted autocorrelation of lag 1 / weighted by I-state GETAWAY descriptors2425 HATS2s leverage-weighted autocorrelation of lag 2 / weighted by I-state GETAWAY descriptors2426 HATS3s leverage-weighted autocorrelation of lag 3 / weighted by I-state GETAWAY descriptors2427 HATS4s leverage-weighted autocorrelation of lag 4 / weighted by I-state GETAWAY descriptors2428 HATS5s leverage-weighted autocorrelation of lag 5 / weighted by I-state GETAWAY descriptors2429 HATS6s leverage-weighted autocorrelation of lag 6 / weighted by I-state GETAWAY descriptors2430 HATS7s leverage-weighted autocorrelation of lag 7 / weighted by I-state GETAWAY descriptors2431 HATS8s leverage-weighted autocorrelation of lag 8 / weighted by I-state GETAWAY descriptors2432 HATSs leverage-weighted total index / weighted by I-state GETAWAY descriptors2433 RCON Randic-type R matrix connectivity GETAWAY descriptors2434 RARS R matrix average row sum GETAWAY descriptors2435 REIG first eigenvalue of the R matrix GETAWAY descriptors2436 R1u R autocorrelation of lag 1 / unweighted GETAWAY descriptors2437 R2u R autocorrelation of lag 2 / unweighted GETAWAY descriptors2438 R3u R autocorrelation of lag 3 / unweighted GETAWAY descriptors2439 R4u R autocorrelation of lag 4 / unweighted GETAWAY descriptors2440 R5u R autocorrelation of lag 5 / unweighted GETAWAY descriptors2441 R6u R autocorrelation of lag 6 / unweighted GETAWAY descriptors2442 R7u R autocorrelation of lag 7 / unweighted GETAWAY descriptors2443 R8u R autocorrelation of lag 8 / unweighted GETAWAY descriptors2444 RTu R total index / unweighted GETAWAY descriptors2445 R1u+ R maximal autocorrelation of lag 1 / unweighted GETAWAY descriptors2446 R2u+ R maximal autocorrelation of lag 2 / unweighted GETAWAY descriptors2447 R3u+ R maximal autocorrelation of lag 3 / unweighted GETAWAY descriptors2448 R4u+ R maximal autocorrelation of lag 4 / unweighted GETAWAY descriptors2449 R5u+ R maximal autocorrelation of lag 5 / unweighted GETAWAY descriptors2450 R6u+ R maximal autocorrelation of lag 6 / unweighted GETAWAY descriptors2451 R7u+ R maximal autocorrelation of lag 7 / unweighted GETAWAY descriptors2452 R8u+ R maximal autocorrelation of lag 8 / unweighted GETAWAY descriptors2453 RTu+ R maximal index / unweighted GETAWAY descriptors2454 R1m R autocorrelation of lag 1 / weighted by mass GETAWAY descriptors2455 R2m R autocorrelation of lag 2 / weighted by mass GETAWAY descriptors2456 R3m R autocorrelation of lag 3 / weighted by mass GETAWAY descriptors2457 R4m R autocorrelation of lag 4 / weighted by mass GETAWAY descriptors2458 R5m R autocorrelation of lag 5 / weighted by mass GETAWAY descriptors2459 R6m R autocorrelation of lag 6 / weighted by mass GETAWAY descriptors2460 R7m R autocorrelation of lag 7 / weighted by mass GETAWAY descriptors2461 R8m R autocorrelation of lag 8 / weighted by mass GETAWAY descriptors2462 RTm R total index / weighted by mass GETAWAY descriptors2463 R1m+ R maximal autocorrelation of lag 1 / weighted by mass GETAWAY descriptors2464 R2m+ R maximal autocorrelation of lag 2 / weighted by mass GETAWAY descriptors2465 R3m+ R maximal autocorrelation of lag 3 / weighted by mass GETAWAY descriptors2466 R4m+ R maximal autocorrelation of lag 4 / weighted by mass GETAWAY descriptors2467 R5m+ R maximal autocorrelation of lag 5 / weighted by mass GETAWAY descriptors2468 R6m+ R maximal autocorrelation of lag 6 / weighted by mass GETAWAY descriptors2469 R7m+ R maximal autocorrelation of lag 7 / weighted by mass GETAWAY descriptors2470 R8m+ R maximal autocorrelation of lag 8 / weighted by mass GETAWAY descriptors2471 RTm+ R maximal index / weighted by mass GETAWAY descriptors2472 R1v R autocorrelation of lag 1 / weighted by van der Waals volume GETAWAY descriptors2473 R2v R autocorrelation of lag 2 / weighted by van der Waals volume GETAWAY descriptors2474 R3v R autocorrelation of lag 3 / weighted by van der Waals volume GETAWAY descriptors2475 R4v R autocorrelation of lag 4 / weighted by van der Waals volume GETAWAY descriptors2476 R5v R autocorrelation of lag 5 / weighted by van der Waals volume GETAWAY descriptors2477 R6v R autocorrelation of lag 6 / weighted by van der Waals volume GETAWAY descriptors2478 R7v R autocorrelation of lag 7 / weighted by van der Waals volume GETAWAY descriptors2479 R8v R autocorrelation of lag 8 / weighted by van der Waals volume GETAWAY descriptors2480 RTv R total index / weighted by van der Waals volume GETAWAY descriptors2481 R1v+ R maximal autocorrelation of lag 1 / weighted by van der Waals volume GETAWAY descriptors2482 R2v+ R maximal autocorrelation of lag 2 / weighted by van der Waals volume GETAWAY descriptors2483 R3v+ R maximal autocorrelation of lag 3 / weighted by van der Waals volume GETAWAY descriptors2484 R4v+ R maximal autocorrelation of lag 4 / weighted by van der Waals volume GETAWAY descriptors2485 R5v+ R maximal autocorrelation of lag 5 / weighted by van der Waals volume GETAWAY descriptors2486 R6v+ R maximal autocorrelation of lag 6 / weighted by van der Waals volume GETAWAY descriptors2487 R7v+ R maximal autocorrelation of lag 7 / weighted by van der Waals volume GETAWAY descriptors2488 R8v+ R maximal autocorrelation of lag 8 / weighted by van der Waals volume GETAWAY descriptors2489 RTv+ R maximal index / weighted by van der Waals volume GETAWAY descriptors2490 R1e R autocorrelation of lag 1 / weighted by Sanderson electronegativity GETAWAY descriptors2491 R2e R autocorrelation of lag 2 / weighted by Sanderson electronegativity GETAWAY descriptors2492 R3e R autocorrelation of lag 3 / weighted by Sanderson electronegativity GETAWAY descriptors

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2493 R4e R autocorrelation of lag 4 / weighted by Sanderson electronegativity GETAWAY descriptors2494 R5e R autocorrelation of lag 5 / weighted by Sanderson electronegativity GETAWAY descriptors2495 R6e R autocorrelation of lag 6 / weighted by Sanderson electronegativity GETAWAY descriptors2496 R7e R autocorrelation of lag 7 / weighted by Sanderson electronegativity GETAWAY descriptors2497 R8e R autocorrelation of lag 8 / weighted by Sanderson electronegativity GETAWAY descriptors2498 RTe R total index / weighted by Sanderson electronegativity GETAWAY descriptors2499 R1e+ R maximal autocorrelation of lag 1 / weighted by Sanderson electronegativity GETAWAY descriptors2500 R2e+ R maximal autocorrelation of lag 2 / weighted by Sanderson electronegativity GETAWAY descriptors2501 R3e+ R maximal autocorrelation of lag 3 / weighted by Sanderson electronegativity GETAWAY descriptors2502 R4e+ R maximal autocorrelation of lag 4 / weighted by Sanderson electronegativity GETAWAY descriptors2503 R5e+ R maximal autocorrelation of lag 5 / weighted by Sanderson electronegativity GETAWAY descriptors2504 R6e+ R maximal autocorrelation of lag 6 / weighted by Sanderson electronegativity GETAWAY descriptors2505 R7e+ R maximal autocorrelation of lag 7 / weighted by Sanderson electronegativity GETAWAY descriptors2506 R8e+ R maximal autocorrelation of lag 8 / weighted by Sanderson electronegativity GETAWAY descriptors2507 RTe+ R maximal index / weighted by Sanderson electronegativity GETAWAY descriptors2508 R1p R autocorrelation of lag 1 / weighted by polarizability GETAWAY descriptors2509 R2p R autocorrelation of lag 2 / weighted by polarizability GETAWAY descriptors2510 R3p R autocorrelation of lag 3 / weighted by polarizability GETAWAY descriptors2511 R4p R autocorrelation of lag 4 / weighted by polarizability GETAWAY descriptors2512 R5p R autocorrelation of lag 5 / weighted by polarizability GETAWAY descriptors2513 R6p R autocorrelation of lag 6 / weighted by polarizability GETAWAY descriptors2514 R7p R autocorrelation of lag 7 / weighted by polarizability GETAWAY descriptors2515 R8p R autocorrelation of lag 8 / weighted by polarizability GETAWAY descriptors2516 RTp R total index / weighted by polarizability GETAWAY descriptors2517 R1p+ R maximal autocorrelation of lag 1 / weighted by polarizability GETAWAY descriptors2518 R2p+ R maximal autocorrelation of lag 2 / weighted by polarizability GETAWAY descriptors2519 R3p+ R maximal autocorrelation of lag 3 / weighted by polarizability GETAWAY descriptors2520 R4p+ R maximal autocorrelation of lag 4 / weighted by polarizability GETAWAY descriptors2521 R5p+ R maximal autocorrelation of lag 5 / weighted by polarizability GETAWAY descriptors2522 R6p+ R maximal autocorrelation of lag 6 / weighted by polarizability GETAWAY descriptors2523 R7p+ R maximal autocorrelation of lag 7 / weighted by polarizability GETAWAY descriptors2524 R8p+ R maximal autocorrelation of lag 8 / weighted by polarizability GETAWAY descriptors2525 RTp+ R maximal index / weighted by polarizability GETAWAY descriptors2526 R1i R autocorrelation of lag 1 / weighted by ionization potential GETAWAY descriptors2527 R2i R autocorrelation of lag 2 / weighted by ionization potential GETAWAY descriptors2528 R3i R autocorrelation of lag 3 / weighted by ionization potential GETAWAY descriptors2529 R4i R autocorrelation of lag 4 / weighted by ionization potential GETAWAY descriptors2530 R5i R autocorrelation of lag 5 / weighted by ionization potential GETAWAY descriptors2531 R6i R autocorrelation of lag 6 / weighted by ionization potential GETAWAY descriptors2532 R7i R autocorrelation of lag 7 / weighted by ionization potential GETAWAY descriptors2533 R8i R autocorrelation of lag 8 / weighted by ionization potential GETAWAY descriptors2534 RTi R total index / weighted by ionization potential GETAWAY descriptors2535 R1i+ R maximal autocorrelation of lag 1 / weighted by ionization potential GETAWAY descriptors2536 R2i+ R maximal autocorrelation of lag 2 / weighted by ionization potential GETAWAY descriptors2537 R3i+ R maximal autocorrelation of lag 3 / weighted by ionization potential GETAWAY descriptors2538 R4i+ R maximal autocorrelation of lag 4 / weighted by ionization potential GETAWAY descriptors2539 R5i+ R maximal autocorrelation of lag 5 / weighted by ionization potential GETAWAY descriptors2540 R6i+ R maximal autocorrelation of lag 6 / weighted by ionization potential GETAWAY descriptors2541 R7i+ R maximal autocorrelation of lag 7 / weighted by ionization potential GETAWAY descriptors2542 R8i+ R maximal autocorrelation of lag 8 / weighted by ionization potential GETAWAY descriptors2543 RTi+ R maximal index / weighted by ionization potential GETAWAY descriptors2544 R1s R autocorrelation of lag 1 / weighted by I-state GETAWAY descriptors2545 R2s R autocorrelation of lag 2 / weighted by I-state GETAWAY descriptors2546 R3s R autocorrelation of lag 3 / weighted by I-state GETAWAY descriptors2547 R4s R autocorrelation of lag 4 / weighted by I-state GETAWAY descriptors2548 R5s R autocorrelation of lag 5 / weighted by I-state GETAWAY descriptors2549 R6s R autocorrelation of lag 6 / weighted by I-state GETAWAY descriptors2550 R7s R autocorrelation of lag 7 / weighted by I-state GETAWAY descriptors2551 R8s R autocorrelation of lag 8 / weighted by I-state GETAWAY descriptors2552 RTs R total index / weighted by I-state GETAWAY descriptors2553 R1s+ R maximal autocorrelation of lag 1 / weighted by I-state GETAWAY descriptors2554 R2s+ R maximal autocorrelation of lag 2 / weighted by I-state GETAWAY descriptors2555 R3s+ R maximal autocorrelation of lag 3 / weighted by I-state GETAWAY descriptors2556 R4s+ R maximal autocorrelation of lag 4 / weighted by I-state GETAWAY descriptors2557 R5s+ R maximal autocorrelation of lag 5 / weighted by I-state GETAWAY descriptors2558 R6s+ R maximal autocorrelation of lag 6 / weighted by I-state GETAWAY descriptors2559 R7s+ R maximal autocorrelation of lag 7 / weighted by I-state GETAWAY descriptors2560 R8s+ R maximal autocorrelation of lag 8 / weighted by I-state GETAWAY descriptors2561 RTs+ R maximal index / weighted by I-state GETAWAY descriptors2562 DP01 molecular profile no. 1 Randic molecular profiles2563 DP02 molecular profile no. 2 Randic molecular profiles2564 DP03 molecular profile no. 3 Randic molecular profiles2565 DP04 molecular profile no. 4 Randic molecular profiles2566 DP05 molecular profile no. 5 Randic molecular profiles2567 DP06 molecular profile no. 6 Randic molecular profiles2568 DP07 molecular profile no. 7 Randic molecular profiles2569 DP08 molecular profile no. 8 Randic molecular profiles2570 DP09 molecular profile no. 9 Randic molecular profiles2571 DP10 molecular profile no. 10 Randic molecular profiles2572 DP11 molecular profile no. 11 Randic molecular profiles2573 DP12 molecular profile no. 12 Randic molecular profiles2574 DP13 molecular profile no. 13 Randic molecular profiles2575 DP14 molecular profile no. 14 Randic molecular profiles2576 DP15 molecular profile no. 15 Randic molecular profiles2577 DP16 molecular profile no. 16 Randic molecular profiles2578 DP17 molecular profile no. 17 Randic molecular profiles2579 DP18 molecular profile no. 18 Randic molecular profiles2580 DP19 molecular profile no. 19 Randic molecular profiles2581 DP20 molecular profile no. 20 Randic molecular profiles2582 SP01 shape profile no. 1 Randic molecular profiles2583 SP02 shape profile no. 2 Randic molecular profiles2584 SP03 shape profile no. 3 Randic molecular profiles2585 SP04 shape profile no. 4 Randic molecular profiles2586 SP05 shape profile no. 5 Randic molecular profiles2587 SP06 shape profile no. 6 Randic molecular profiles2588 SP07 shape profile no. 7 Randic molecular profiles

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2589 SP08 shape profile no. 8 Randic molecular profiles2590 SP09 shape profile no. 9 Randic molecular profiles2591 SP10 shape profile no. 10 Randic molecular profiles2592 SP11 shape profile no. 11 Randic molecular profiles2593 SP12 shape profile no. 12 Randic molecular profiles2594 SP13 shape profile no. 13 Randic molecular profiles2595 SP14 shape profile no. 14 Randic molecular profiles2596 SP15 shape profile no. 15 Randic molecular profiles2597 SP16 shape profile no. 16 Randic molecular profiles2598 SP17 shape profile no. 17 Randic molecular profiles2599 SP18 shape profile no. 18 Randic molecular profiles2600 SP19 shape profile no. 19 Randic molecular profiles2601 SP20 shape profile no. 20 Randic molecular profiles2602 SHP2 average shape profile index of order 2 Randic molecular profiles2603 nCp number of terminal primary C(sp3) Functional group counts2604 nCs number of total secondary C(sp3) Functional group counts2605 nCt number of total tertiary C(sp3) Functional group counts2606 nCq number of total quaternary C(sp3) Functional group counts2607 nCrs number of ring secondary C(sp3) Functional group counts2608 nCrt number of ring tertiary C(sp3) Functional group counts2609 nCrq number of ring quaternary C(sp3) Functional group counts2610 nCar number of aromatic C(sp2) Functional group counts2611 nCbH number of unsubstituted benzene C(sp2) Functional group counts2612 nCb- number of substituted benzene C(sp2) Functional group counts2613 nCconj number of non-aromatic conjugated C(sp2) Functional group counts2614 nR=Cp number of terminal primary C(sp2) Functional group counts2615 nR=Cs number of aliphatic secondary C(sp2) Functional group counts2616 nR=Ct number of aliphatic tertiary C(sp2) Functional group counts2617 n=C= number of allenes groups Functional group counts2618 nR#CH/X number of terminal C(sp) Functional group counts2619 nR#C- number of non-terminal C(sp) Functional group counts2620 nROCN number of cyanates (aliphatic) Functional group counts2621 nArOCN number of cyanates (aromatic) Functional group counts2622 nRNCO number of isocyanates (aliphatic) Functional group counts2623 nArNCO number of isocyanates (aromatic) Functional group counts2624 nRSCN number of thiocyanates (aliphatic) Functional group counts2625 nArSCN number of thiocyanates (aromatic) Functional group counts2626 nRNCS number of isothiocyanates (aliphatic) Functional group counts2627 nArNCS number of isothiocyanates (aromatic) Functional group counts2628 nRCOOH number of carboxylic acids (aliphatic) Functional group counts2629 nArCOOH number of carboxylic acids (aromatic) Functional group counts2630 nRCOOR number of esters (aliphatic) Functional group counts2631 nArCOOR number of esters (aromatic) Functional group counts2632 nRCONH2 number of primary amides (aliphatic) Functional group counts2633 nArCONH2 number of primary amides (aromatic) Functional group counts2634 nRCONHR number of secondary amides (aliphatic) Functional group counts2635 nArCONHR number of secondary amides (aromatic) Functional group counts2636 nRCONR2 number of tertiary amides (aliphatic) Functional group counts2637 nArCONR2 number of tertiary amides (aromatic) Functional group counts2638 nROCON number of (thio-) carbamates (aliphatic) Functional group counts2639 nArOCON number of (thio-) carbamates (aromatic) Functional group counts2640 nRCOX number of acyl halogenides (aliphatic) Functional group counts2641 nArCOX number of acyl halogenides (aromatic) Functional group counts2642 nRCSOH number of thioacids (aliphatic) Functional group counts2643 nArCSOH number of thioacids (aromatic) Functional group counts2644 nRCSSH number of dithioacids (aliphatic) Functional group counts2645 nArCSSH number of dithioacids (aromatic) Functional group counts2646 nRCOSR number of thioesters (aliphatic) Functional group counts2647 nArCOSR number of thioesters (aromatic) Functional group counts2648 nRCSSR number of dithioesters (aliphatic) Functional group counts2649 nArCSSR number of dithioesters (aromatic) Functional group counts2650 nRCHO number of aldehydes (aliphatic) Functional group counts2651 nArCHO number of aldehydes (aromatic) Functional group counts2652 nRCO number of ketones (aliphatic) Functional group counts2653 nArCO number of ketones (aromatic) Functional group counts2654 nCONN number of urea (-thio) derivatives Functional group counts2655 nC=O(O)2 number of carbonate (-thio) derivatives Functional group counts2656 nN=C-N< number of amidine derivatives Functional group counts2657 nC(=N)N2 number of guanidine derivatives Functional group counts2658 nRC=N number of imines (aliphatic) Functional group counts2659 nArC=N number of imines (aromatic) Functional group counts2660 nRCNO number of oximes (aliphatic) Functional group counts2661 nArCNO number of oximes (aromatic) Functional group counts2662 nRNH2 number of primary amines (aliphatic) Functional group counts2663 nArNH2 number of primary amines (aromatic) Functional group counts2664 nRNHR number of secondary amines (aliphatic) Functional group counts2665 nArNHR number of secondary amines (aromatic) Functional group counts2666 nRNR2 number of tertiary amines (aliphatic) Functional group counts2667 nArNR2 number of tertiary amines (aromatic) Functional group counts2668 nN-N number of N hydrazines Functional group counts2669 nN=N number of N azo-derivatives Functional group counts2670 nRCN number of nitriles (aliphatic) Functional group counts2671 nArCN number of nitriles (aromatic) Functional group counts2672 nN+ number of positively charged N Functional group counts2673 nNq number of quaternary N Functional group counts2674 nRNHO number of hydroxylamines (aliphatic) Functional group counts2675 nArNHO number of hydroxylamines (aromatic) Functional group counts2676 nRNNOx number of N-nitroso groups (aliphatic) Functional group counts2677 nArNNOx number of N-nitroso groups (aromatic) Functional group counts2678 nRNO number of nitroso groups (aliphatic) Functional group counts2679 nArNO number of nitroso groups (aromatic) Functional group counts2680 nRNO2 number of nitro groups (aliphatic) Functional group counts2681 nArNO2 number of nitro groups (aromatic) Functional group counts2682 nN(CO)2 number of imides (-thio) Functional group counts2683 nC=N-N< number of hydrazones Functional group counts2684 nROH number of hydroxyl groups Functional group counts

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2685 nArOH number of aromatic hydroxyls Functional group counts2686 nOHp number of primary alcohols Functional group counts2687 nOHs number of secondary alcohols Functional group counts2688 nOHt number of tertiary alcohols Functional group counts2689 nROR number of ethers (aliphatic) Functional group counts2690 nArOR number of ethers (aromatic) Functional group counts2691 nROX number of hypohalogenides (aliphatic) Functional group counts2692 nArOX number of hypohalogenides (aromatic) Functional group counts2693 nO(C=O)2 number of anhydrides (-thio) Functional group counts2694 nH2O number of water molecules Functional group counts2695 nSH number of thiols Functional group counts2696 nC=S number of thioketones Functional group counts2697 nRSR number of sulfides Functional group counts2698 nRSSR number of disulfides Functional group counts2699 nSO number of sulfoxides Functional group counts2700 nS(=O)2 number of sulfones Functional group counts2701 nSOH number of sulfenic (thio-) acids Functional group counts2702 nSOOH number of sulfinic (thio-/dithio-) acids Functional group counts2703 nSO2OH number of sulfonic (thio-/dithio-) acids Functional group counts2704 nSO3OH number of sulfuric (thio-/dithio-) acids Functional group counts2705 nSO2 number of sulfites (thio-/dithio-) Functional group counts2706 nSO3 number of sulfonates (thio-/dithio-) Functional group counts2707 nSO4 number of sulfates (thio-/dithio-) Functional group counts2708 nSO2N number of sulfonamides (thio-/dithio-) Functional group counts2709 nPO3 number of phosphites/thiophosphites Functional group counts2710 nPO4 number of phosphates/thiophosphates Functional group counts2711 nPR3 number of phosphanes Functional group counts2712 nP(=O)O2R number of phosphonates (thio-) Functional group counts2713 nP(=O)R3/nPR5 number of phosphoranes (thio-) Functional group counts2714 nCH2RX number of CH2RX Functional group counts2715 nCHR2X number of CHR2X Functional group counts2716 nCR3X number of CR3X Functional group counts2717 nR=CHX number of R=CHX Functional group counts2718 nR=CRX number of R=CRX Functional group counts2719 nR#CX number of R#CX Functional group counts2720 nCHRX2 number of CHRX2 Functional group counts2721 nCR2X2 number of CR2X2 Functional group counts2722 nR=CX2 number of R=CX2 Functional group counts2723 nCRX3 number of CRX3 Functional group counts2724 nArX number of X on aromatic ring Functional group counts2725 nCXr number of X on ring C(sp3) Functional group counts2726 nCXr= number of X on ring C(sp2) Functional group counts2727 nCconjX number of X on exo-conjugated C Functional group counts2728 nAziridines number of Aziridines Functional group counts2729 nOxiranes number of Oxiranes Functional group counts2730 nThiranes number of Thiranes Functional group counts2731 nAzetidines number of Azetidines Functional group counts2732 nOxetanes number of Oxetanes Functional group counts2733 nThioethanes number of Thioethanes Functional group counts2734 nBeta-Lactams number of Beta-Lactams Functional group counts2735 nPyrrolidines number of Pyrrolidines Functional group counts2736 nOxolanes number of Oxolanes Functional group counts2737 ntH-Thiophenes number of tetrahydro-thiophenes Functional group counts2738 nPyrroles number of Pyrroles Functional group counts2739 nPyrazoles number of Pyrazoles Functional group counts2740 nImidazoles number of Imidazoles Functional group counts2741 nFuranes number of Furanes Functional group counts2742 nThiophenes number of Thiophenes Functional group counts2743 nOxazoles number of Oxazoles Functional group counts2744 nIsoxazoles number of Isoxazoles Functional group counts2745 nThiazoles number of Thiazoles Functional group counts2746 nIsothiazoles number of Isothiazoles Functional group counts2747 nTriazoles number of Triazoles Functional group counts2748 nPyridines number of Pyridines Functional group counts2749 nPyridazines number of Pyridazines Functional group counts2750 nPyrimidines number of Pyrimidines Functional group counts2751 nPyrazines number of Pyrazines Functional group counts2752 n135-Triazines number of 1-3-5-Triazines Functional group counts2753 n124-Triazines number of 1-2-4-Triazines Functional group counts2754 nHDon number of donor atoms for H-bonds (N and O) Functional group counts2755 nHAcc number of acceptor atoms for H-bonds (N,O,F) Functional group counts2756 nHBonds number of intramolecular H-bonds (with N,O,F) Functional group counts2757 C-001 CH3R / CH4 Atom-centred fragments2758 C-002 CH2R2 Atom-centred fragments2759 C-003 CHR3 Atom-centred fragments2760 C-004 CR4 Atom-centred fragments2761 C-005 CH3X Atom-centred fragments2762 C-006 CH2RX Atom-centred fragments2763 C-007 CH2X2 Atom-centred fragments2764 C-008 CHR2X Atom-centred fragments2765 C-009 CHRX2 Atom-centred fragments2766 C-010 CHX3 Atom-centred fragments2767 C-011 CR3X Atom-centred fragments2768 C-012 CR2X2 Atom-centred fragments2769 C-013 CRX3 Atom-centred fragments2770 C-014 CX4 Atom-centred fragments2771 C-015 =CH2 Atom-centred fragments2772 C-016 =CHR Atom-centred fragments2773 C-017 =CR2 Atom-centred fragments2774 C-018 =CHX Atom-centred fragments2775 C-019 =CRX Atom-centred fragments2776 C-020 =CX2 Atom-centred fragments2777 C-021 #CH Atom-centred fragments2778 C-022 #CR / R=C=R Atom-centred fragments2779 C-023 #CX Atom-centred fragments2780 C-024 R--CH--R Atom-centred fragments

29 of 51

2781 C-025 R--CR--R Atom-centred fragments2782 C-026 R--CX--R Atom-centred fragments2783 C-027 R--CH--X Atom-centred fragments2784 C-028 R--CR--X Atom-centred fragments2785 C-029 R--CX--X Atom-centred fragments2786 C-030 X--CH--X Atom-centred fragments2787 C-031 X--CR--X Atom-centred fragments2788 C-032 X--CX--X Atom-centred fragments2789 C-033 R--CH..X Atom-centred fragments2790 C-034 R--CR..X Atom-centred fragments2791 C-035 R--CX..X Atom-centred fragments2792 C-036 Al-CH=X Atom-centred fragments2793 C-037 Ar-CH=X Atom-centred fragments2794 C-038 Al-C(=X)-Al Atom-centred fragments2795 C-039 Ar-C(=X)-R Atom-centred fragments2796 C-040 R-C(=X)-X / R-C#X / X=C=X Atom-centred fragments2797 C-041 X-C(=X)-X Atom-centred fragments2798 C-042 X--CH..X Atom-centred fragments2799 C-043 X--CR..X Atom-centred fragments2800 C-044 X--CX..X Atom-centred fragments2801 H-046 H attached to C0(sp3) no X attached to next C Atom-centred fragments2802 H-047 H attached to C1(sp3)/C0(sp2) Atom-centred fragments2803 H-048 H attached to C2(sp3)/C1(sp2)/C0(sp) Atom-centred fragments2804 H-049 H attached to C3(sp3)/C2(sp2)/C3(sp2)/C3(sp) Atom-centred fragments2805 H-050 H attached to heteroatom Atom-centred fragments2806 H-051 H attached to alpha-C Atom-centred fragments2807 H-052 H attached to C0(sp3) with 1X attached to next C Atom-centred fragments2808 H-053 H attached to C0(sp3) with 2X attached to next C Atom-centred fragments2809 H-054 H attached to C0(sp3) with 3X attached to next C Atom-centred fragments2810 H-055 H attached to C0(sp3) with 4X attached to next C Atom-centred fragments2811 O-056 alcohol Atom-centred fragments2812 O-057 phenol / enol / carboxyl OH Atom-centred fragments2813 O-058 #NOME? Atom-centred fragments2814 O-059 Al-O-Al Atom-centred fragments2815 O-060 Al-O-Ar / Ar-O-Ar / R..O..R / R-O-C=X Atom-centred fragments2816 O-061 O-- Atom-centred fragments2817 O-062 O- (negatively charged) Atom-centred fragments2818 O-063 R-O-O-R Atom-centred fragments2819 Se-064 Any-Se-Any Atom-centred fragments2820 Se-065 #NOME? Atom-centred fragments2821 N-066 Al-NH2 Atom-centred fragments2822 N-067 Al2-NH Atom-centred fragments2823 N-068 Al3-N Atom-centred fragments2824 N-069 Ar-NH2 / X-NH2 Atom-centred fragments2825 N-070 Ar-NH-Al Atom-centred fragments2826 N-071 Ar-NAl2 Atom-centred fragments2827 N-072 RCO-N< / >N-X=X Atom-centred fragments2828 N-073 Ar2NH / Ar3N / Ar2N-Al / R..N..R Atom-centred fragments2829 N-074 R#N / R=N- Atom-centred fragments2830 N-075 R--N--R / R--N--X Atom-centred fragments2831 N-076 Ar-NO2 / R--N(--R)--O / RO-NO Atom-centred fragments2832 N-077 Al-NO2 Atom-centred fragments2833 N-078 Ar-N=X / X-N=X Atom-centred fragments2834 N-079 N+ (positively charged) Atom-centred fragments2835 F-081 F attached to C1(sp3) Atom-centred fragments2836 F-082 F attached to C2(sp3) Atom-centred fragments2837 F-083 F attached to C3(sp3) Atom-centred fragments2838 F-084 F attached to C1(sp2) Atom-centred fragments2839 F-085 F attached to C2(sp2)-C4(sp2)/C1(sp)/C4(sp3)/X Atom-centred fragments2840 Cl-086 Cl attached to C1(sp3) Atom-centred fragments2841 Cl-087 Cl attached to C2(sp3) Atom-centred fragments2842 Cl-088 Cl attached to C3(sp3) Atom-centred fragments2843 Cl-089 Cl attached to C1(sp2) Atom-centred fragments2844 Cl-090 Cl attached to C2(sp2)-C4(sp2)/C1(sp)/C4(sp3)/X Atom-centred fragments2845 Br-091 Br attached to C1(sp3) Atom-centred fragments2846 Br-092 Br attached to C2(sp3) Atom-centred fragments2847 Br-093 Br attached to C3(sp3) Atom-centred fragments2848 Br-094 Br attached to C1(sp2) Atom-centred fragments2849 Br-095 Br attached to C2(sp2)-C4(sp2)/C1(sp)/C4(sp3)/X Atom-centred fragments2850 I-096 I attached to C1(sp3) Atom-centred fragments2851 I-097 I attached to C2(sp3) Atom-centred fragments2852 I-098 I attached to C3(sp3) Atom-centred fragments2853 I-099 I attached to C1(sp2) Atom-centred fragments2854 I-100 I attached to C2(sp2)-C4(sp2)/C1(sp)/C4(sp3)/X Atom-centred fragments2855 F-101 fluoride ion Atom-centred fragments2856 Cl-102 chloride ion Atom-centred fragments2857 Br-103 bromide ion Atom-centred fragments2858 I-104 iodide ion Atom-centred fragments2859 S-106 R-SH Atom-centred fragments2860 S-107 R2S / RS-SR Atom-centred fragments2861 S-108 R=S Atom-centred fragments2862 S-109 R-SO-R Atom-centred fragments2863 S-110 R-SO2-R Atom-centred fragments2864 Si-111 >Si< Atom-centred fragments2865 B-112 >B- as in boranes Atom-centred fragments2866 P-115 P ylids Atom-centred fragments2867 P-116 R3-P=X Atom-centred fragments2868 P-117 X3-P=X (phosphate) Atom-centred fragments2869 P-118 PX3 (phosphite) Atom-centred fragments2870 P-119 PR3 (phosphine) Atom-centred fragments2871 P-120 C-P(X)2=X (phosphonate) Atom-centred fragments2872 SsCH3 Sum of sCH3 E-states Atom-type E-state indices2873 SdCH2 Sum of dCH2 E-states Atom-type E-state indices2874 SssCH2 Sum of ssCH2 E-states Atom-type E-state indices2875 StCH Sum of tCH E-states Atom-type E-state indices2876 SdsCH Sum of dsCH E-states Atom-type E-state indices

30 of 51

2877 SaaCH Sum of aaCH E-states Atom-type E-state indices2878 SsssCH Sum of sssCH E-states Atom-type E-state indices2879 SddC Sum of ddC E-states Atom-type E-state indices2880 StsC Sum of tsC E-states Atom-type E-state indices2881 SdssC Sum of dssC E-states Atom-type E-state indices2882 SaasC Sum of aasC E-states Atom-type E-state indices2883 SaaaC Sum of aaaC E-states Atom-type E-state indices2884 SssssC Sum of ssssC E-states Atom-type E-state indices2885 SsNH2 Sum of sNH2 E-states Atom-type E-state indices2886 SssNH Sum of ssNH E-states Atom-type E-state indices2887 SdNH Sum of dNH E-states Atom-type E-state indices2888 SsssN Sum of sssN E-states Atom-type E-state indices2889 SdsN Sum of dsN E-states Atom-type E-state indices2890 SaaN Sum of aaN E-states Atom-type E-state indices2891 StN Sum of tN E-states Atom-type E-state indices2892 SsNH3+ Sum of sNH3+ E-states Atom-type E-state indices2893 SssNH2+ Sum of ssNH2+ E-states Atom-type E-state indices2894 SdNH2+ Sum of dNH2+ E-states Atom-type E-state indices2895 SsssNH+ Sum of sssNH+ E-states Atom-type E-state indices2896 SssssN+ Sum of ssssN+ E-states Atom-type E-state indices2897 SddsN Sum of ddsN E-states Atom-type E-state indices2898 SaasN Sum of aasN E-states Atom-type E-state indices2899 SaaNH Sum of aaNH E-states Atom-type E-state indices2900 SsOH Sum of sOH E-states Atom-type E-state indices2901 SdO Sum of dO E-states Atom-type E-state indices2902 SssO Sum of ssO E-states Atom-type E-state indices2903 SaaO Sum of aaO E-states Atom-type E-state indices2904 SsPH2 Sum of sPH2 E-states Atom-type E-state indices2905 SssPH Sum of ssPH E-states Atom-type E-state indices2906 SsssP Sum of sssP E-states Atom-type E-state indices2907 SdsssP Sum of dsssP E-states Atom-type E-state indices2908 SddsP Sum of ddsP E-states Atom-type E-state indices2909 SsssssP Sum of sssssP E-states Atom-type E-state indices2910 SsSH Sum of sSH E-states Atom-type E-state indices2911 SdS Sum of dS E-states Atom-type E-state indices2912 SssS Sum of ssS E-states Atom-type E-state indices2913 SaaS Sum of aaS E-states Atom-type E-state indices2914 SdssS Sum of dssS E-states Atom-type E-state indices2915 SddssS Sum of ddssS E-states Atom-type E-state indices2916 SssssssS Sum of ssssssS E-states Atom-type E-state indices2917 SsF Sum of sF E-states Atom-type E-state indices2918 SsCl Sum of sCl E-states Atom-type E-state indices2919 SsBr Sum of sBr E-states Atom-type E-state indices2920 SsI Sum of sI E-states Atom-type E-state indices2921 SsLi Sum of sLi E-states Atom-type E-state indices2922 SssBe Sum of ssBe E-states Atom-type E-state indices2923 SssssBe- Sum of ssssBe- E-states Atom-type E-state indices2924 SsBH2 Sum of sBH2 E-states Atom-type E-state indices2925 SssBH Sum of ssBH E-states Atom-type E-state indices2926 SsssB Sum of sssB E-states Atom-type E-state indices2927 SssssB- Sum of ssssB- E-states Atom-type E-state indices2928 SsGeH3 Sum of sGeH3 E-states Atom-type E-state indices2929 SssGeH2 Sum of ssGeH2 E-states Atom-type E-state indices2930 SsssGeH Sum of sssGeH E-states Atom-type E-state indices2931 SssssGe Sum of ssssGe E-states Atom-type E-state indices2932 SsAsH2 Sum of sAsH2 E-states Atom-type E-state indices2933 SssAsH Sum of ssAsH E-states Atom-type E-state indices2934 SsssAs Sum of sssAs E-states Atom-type E-state indices2935 SsssssAs Sum of sssssAs E-states Atom-type E-state indices2936 SdsssAs Sum of dsssAs E-states Atom-type E-state indices2937 SddsAs Sum of ddsAs E-states Atom-type E-state indices2938 SsSeH Sum of sSeH E-states Atom-type E-state indices2939 SdSe Sum of dSe E-states Atom-type E-state indices2940 SssSe Sum of ssSe E-states Atom-type E-state indices2941 SaaSe Sum of aaSe E-states Atom-type E-state indices2942 SdssSe Sum of dssSe E-states Atom-type E-state indices2943 SssssssSe Sum of ssssssSe E-states Atom-type E-state indices2944 SddssSe Sum of ddssSe E-states Atom-type E-state indices2945 SsSnH3 Sum of sSnH3 E-states Atom-type E-state indices2946 SssSnH2 Sum of ssSnH2 E-states Atom-type E-state indices2947 SsssSnH Sum of sssSnH E-states Atom-type E-state indices2948 SssssSn Sum of ssssSn E-states Atom-type E-state indices2949 SsPbH3 Sum of sPbH3 E-states Atom-type E-state indices2950 SssPbH2 Sum of ssPbH2 E-states Atom-type E-state indices2951 SsssPbH Sum of sssPbH E-states Atom-type E-state indices2952 SssssPb Sum of ssssPb E-states Atom-type E-state indices2953 SsSiH3 Sum of sSiH3 E-states Atom-type E-state indices2954 SssSiH2 Sum of ssSiH2 E-states Atom-type E-state indices2955 SsssSiH Sum of sssSiH E-states Atom-type E-state indices2956 SssssSi Sum of ssssSi E-states Atom-type E-state indices2957 NsCH3 Number of atoms of type sCH3 Atom-type E-state indices2958 NdCH2 Number of atoms of type dCH2 Atom-type E-state indices2959 NssCH2 Number of atoms of type ssCH2 Atom-type E-state indices2960 NtCH Number of atoms of type tCH Atom-type E-state indices2961 NdsCH Number of atoms of type dsCH Atom-type E-state indices2962 NaaCH Number of atoms of type aaCH Atom-type E-state indices2963 NsssCH Number of atoms of type sssCH Atom-type E-state indices2964 NddC Number of atoms of type ddC Atom-type E-state indices2965 NtsC Number of atoms of type tsC Atom-type E-state indices2966 NdssC Number of atoms of type dssC Atom-type E-state indices2967 NaasC Number of atoms of type aasC Atom-type E-state indices2968 NaaaC Number of atoms of type aaaC Atom-type E-state indices2969 NssssC Number of atoms of type ssssC Atom-type E-state indices2970 NsNH2 Number of atoms of type sNH2 Atom-type E-state indices2971 NssNH Number of atoms of type ssNH Atom-type E-state indices2972 NdNH Number of atoms of type dNH Atom-type E-state indices

31 of 51

2973 NsssN Number of atoms of type sssN Atom-type E-state indices2974 NdsN Number of atoms of type dsN Atom-type E-state indices2975 NaaN Number of atoms of type aaN Atom-type E-state indices2976 NtN Number of atoms of type tN Atom-type E-state indices2977 NsNH3+ Number of atoms of type sNH3+ Atom-type E-state indices2978 NssNH2+ Number of atoms of type ssNH2+ Atom-type E-state indices2979 NdNH2+ Number of atoms of type dNH2+ Atom-type E-state indices2980 NsssNH+ Number of atoms of type sssNH+ Atom-type E-state indices2981 NssssN+ Number of atoms of type ssssN+ Atom-type E-state indices2982 NddsN Number of atoms of type ddsN Atom-type E-state indices2983 NaasN Number of atoms of type aasN Atom-type E-state indices2984 NaaNH Number of atoms of type aaNH Atom-type E-state indices2985 NsOH Number of atoms of type sOH Atom-type E-state indices2986 NdO Number of atoms of type dO Atom-type E-state indices2987 NssO Number of atoms of type ssO Atom-type E-state indices2988 NaaO Number of atoms of type aaO Atom-type E-state indices2989 NsPH2 Number of atoms of type sPH2 Atom-type E-state indices2990 NssPH Number of atoms of type ssPH Atom-type E-state indices2991 NsssP Number of atoms of type sssP Atom-type E-state indices2992 NdsssP Number of atoms of type dsssP Atom-type E-state indices2993 NddsP Number of atoms of type ddsP Atom-type E-state indices2994 NsssssP Number of atoms of type sssssP Atom-type E-state indices2995 NsSH Number of atoms of type sSH Atom-type E-state indices2996 NdS Number of atoms of type dS Atom-type E-state indices2997 NssS Number of atoms of type ssS Atom-type E-state indices2998 NaaS Number of atoms of type aaS Atom-type E-state indices2999 NdssS Number of atoms of type dssS Atom-type E-state indices3000 NddssS Number of atoms of type ddssS Atom-type E-state indices3001 NssssssS Number of atoms of type ssssssS Atom-type E-state indices3002 NsF Number of atoms of type sF Atom-type E-state indices3003 NsCl Number of atoms of type sCl Atom-type E-state indices3004 NsBr Number of atoms of type sBr Atom-type E-state indices3005 NsI Number of atoms of type sI Atom-type E-state indices3006 NsLi Number of atoms of type sLi Atom-type E-state indices3007 NssBe Number of atoms of type ssBe Atom-type E-state indices3008 NssssBe- Number of atoms of type ssssBe- Atom-type E-state indices3009 NsBH2 Number of atoms of type sBH2 Atom-type E-state indices3010 NssBH Number of atoms of type ssBH Atom-type E-state indices3011 NsssB Number of atoms of type sssB Atom-type E-state indices3012 NssssB- Number of atoms of type ssssB- Atom-type E-state indices3013 NsGeH3 Number of atoms of type sGeH3 Atom-type E-state indices3014 NssGeH2 Number of atoms of type ssGeH2 Atom-type E-state indices3015 NsssGeH Number of atoms of type sssGeH Atom-type E-state indices3016 NssssGe Number of atoms of type ssssGe Atom-type E-state indices3017 NsAsH2 Number of atoms of type sAsH2 Atom-type E-state indices3018 NssAsH Number of atoms of type ssAsH Atom-type E-state indices3019 NsssAs Number of atoms of type sssAs Atom-type E-state indices3020 NsssssAs Number of atoms of type sssssAs Atom-type E-state indices3021 NdsssAs Number of atoms of type dsssAs Atom-type E-state indices3022 NddsAs Number of atoms of type ddsAs Atom-type E-state indices3023 NsSeH Number of atoms of type sSeH Atom-type E-state indices3024 NdSe Number of atoms of type dSe Atom-type E-state indices3025 NssSe Number of atoms of type ssSe Atom-type E-state indices3026 NaaSe Number of atoms of type aaSe Atom-type E-state indices3027 NdssSe Number of atoms of type dssSe Atom-type E-state indices3028 NssssssSe Number of atoms of type ssssssSe Atom-type E-state indices3029 NddssSe Number of atoms of type ddssSe Atom-type E-state indices3030 NsSnH3 Number of atoms of type sSnH3 Atom-type E-state indices3031 NssSnH2 Number of atoms of type ssSnH2 Atom-type E-state indices3032 NsssSnH Number of atoms of type sssSnH Atom-type E-state indices3033 NssssSn Number of atoms of type ssssSn Atom-type E-state indices3034 NsPbH3 Number of atoms of type sPbH3 Atom-type E-state indices3035 NssPbH2 Number of atoms of type ssPbH2 Atom-type E-state indices3036 NsssPbH Number of atoms of type sssPbH Atom-type E-state indices3037 NssssPb Number of atoms of type ssssPb Atom-type E-state indices3038 NsSiH3 Number of atoms of type sSiH3 Atom-type E-state indices3039 NssSiH2 Number of atoms of type ssSiH2 Atom-type E-state indices3040 NsssSiH Number of atoms of type sssSiH Atom-type E-state indices3041 NssssSi Number of atoms of type ssssSi Atom-type E-state indices3042 CATS2D_00_DD CATS2D Donor-Donor at lag 00 CATS 2D3043 CATS2D_01_DD CATS2D Donor-Donor at lag 01 CATS 2D3044 CATS2D_02_DD CATS2D Donor-Donor at lag 02 CATS 2D3045 CATS2D_03_DD CATS2D Donor-Donor at lag 03 CATS 2D3046 CATS2D_04_DD CATS2D Donor-Donor at lag 04 CATS 2D3047 CATS2D_05_DD CATS2D Donor-Donor at lag 05 CATS 2D3048 CATS2D_06_DD CATS2D Donor-Donor at lag 06 CATS 2D3049 CATS2D_07_DD CATS2D Donor-Donor at lag 07 CATS 2D3050 CATS2D_08_DD CATS2D Donor-Donor at lag 08 CATS 2D3051 CATS2D_09_DD CATS2D Donor-Donor at lag 09 CATS 2D3052 CATS2D_00_DA CATS2D Donor-Acceptor at lag 00 CATS 2D3053 CATS2D_01_DA CATS2D Donor-Acceptor at lag 01 CATS 2D3054 CATS2D_02_DA CATS2D Donor-Acceptor at lag 02 CATS 2D3055 CATS2D_03_DA CATS2D Donor-Acceptor at lag 03 CATS 2D3056 CATS2D_04_DA CATS2D Donor-Acceptor at lag 04 CATS 2D3057 CATS2D_05_DA CATS2D Donor-Acceptor at lag 05 CATS 2D3058 CATS2D_06_DA CATS2D Donor-Acceptor at lag 06 CATS 2D3059 CATS2D_07_DA CATS2D Donor-Acceptor at lag 07 CATS 2D3060 CATS2D_08_DA CATS2D Donor-Acceptor at lag 08 CATS 2D3061 CATS2D_09_DA CATS2D Donor-Acceptor at lag 09 CATS 2D3062 CATS2D_00_DP CATS2D Donor-Positive at lag 00 CATS 2D3063 CATS2D_01_DP CATS2D Donor-Positive at lag 01 CATS 2D3064 CATS2D_02_DP CATS2D Donor-Positive at lag 02 CATS 2D3065 CATS2D_03_DP CATS2D Donor-Positive at lag 03 CATS 2D3066 CATS2D_04_DP CATS2D Donor-Positive at lag 04 CATS 2D3067 CATS2D_05_DP CATS2D Donor-Positive at lag 05 CATS 2D3068 CATS2D_06_DP CATS2D Donor-Positive at lag 06 CATS 2D

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3069 CATS2D_07_DP CATS2D Donor-Positive at lag 07 CATS 2D3070 CATS2D_08_DP CATS2D Donor-Positive at lag 08 CATS 2D3071 CATS2D_09_DP CATS2D Donor-Positive at lag 09 CATS 2D3072 CATS2D_00_DN CATS2D Donor-Negative at lag 00 CATS 2D3073 CATS2D_01_DN CATS2D Donor-Negative at lag 01 CATS 2D3074 CATS2D_02_DN CATS2D Donor-Negative at lag 02 CATS 2D3075 CATS2D_03_DN CATS2D Donor-Negative at lag 03 CATS 2D3076 CATS2D_04_DN CATS2D Donor-Negative at lag 04 CATS 2D3077 CATS2D_05_DN CATS2D Donor-Negative at lag 05 CATS 2D3078 CATS2D_06_DN CATS2D Donor-Negative at lag 06 CATS 2D3079 CATS2D_07_DN CATS2D Donor-Negative at lag 07 CATS 2D3080 CATS2D_08_DN CATS2D Donor-Negative at lag 08 CATS 2D3081 CATS2D_09_DN CATS2D Donor-Negative at lag 09 CATS 2D3082 CATS2D_00_DL CATS2D Donor-Lipophilic at lag 00 CATS 2D3083 CATS2D_01_DL CATS2D Donor-Lipophilic at lag 01 CATS 2D3084 CATS2D_02_DL CATS2D Donor-Lipophilic at lag 02 CATS 2D3085 CATS2D_03_DL CATS2D Donor-Lipophilic at lag 03 CATS 2D3086 CATS2D_04_DL CATS2D Donor-Lipophilic at lag 04 CATS 2D3087 CATS2D_05_DL CATS2D Donor-Lipophilic at lag 05 CATS 2D3088 CATS2D_06_DL CATS2D Donor-Lipophilic at lag 06 CATS 2D3089 CATS2D_07_DL CATS2D Donor-Lipophilic at lag 07 CATS 2D3090 CATS2D_08_DL CATS2D Donor-Lipophilic at lag 08 CATS 2D3091 CATS2D_09_DL CATS2D Donor-Lipophilic at lag 09 CATS 2D3092 CATS2D_00_AA CATS2D Acceptor-Acceptor at lag 00 CATS 2D3093 CATS2D_01_AA CATS2D Acceptor-Acceptor at lag 01 CATS 2D3094 CATS2D_02_AA CATS2D Acceptor-Acceptor at lag 02 CATS 2D3095 CATS2D_03_AA CATS2D Acceptor-Acceptor at lag 03 CATS 2D3096 CATS2D_04_AA CATS2D Acceptor-Acceptor at lag 04 CATS 2D3097 CATS2D_05_AA CATS2D Acceptor-Acceptor at lag 05 CATS 2D3098 CATS2D_06_AA CATS2D Acceptor-Acceptor at lag 06 CATS 2D3099 CATS2D_07_AA CATS2D Acceptor-Acceptor at lag 07 CATS 2D3100 CATS2D_08_AA CATS2D Acceptor-Acceptor at lag 08 CATS 2D3101 CATS2D_09_AA CATS2D Acceptor-Acceptor at lag 09 CATS 2D3102 CATS2D_00_AP CATS2D Acceptor-Positive at lag 00 CATS 2D3103 CATS2D_01_AP CATS2D Acceptor-Positive at lag 01 CATS 2D3104 CATS2D_02_AP CATS2D Acceptor-Positive at lag 02 CATS 2D3105 CATS2D_03_AP CATS2D Acceptor-Positive at lag 03 CATS 2D3106 CATS2D_04_AP CATS2D Acceptor-Positive at lag 04 CATS 2D3107 CATS2D_05_AP CATS2D Acceptor-Positive at lag 05 CATS 2D3108 CATS2D_06_AP CATS2D Acceptor-Positive at lag 06 CATS 2D3109 CATS2D_07_AP CATS2D Acceptor-Positive at lag 07 CATS 2D3110 CATS2D_08_AP CATS2D Acceptor-Positive at lag 08 CATS 2D3111 CATS2D_09_AP CATS2D Acceptor-Positive at lag 09 CATS 2D3112 CATS2D_00_AN CATS2D Acceptor-Negative at lag 00 CATS 2D3113 CATS2D_01_AN CATS2D Acceptor-Negative at lag 01 CATS 2D3114 CATS2D_02_AN CATS2D Acceptor-Negative at lag 02 CATS 2D3115 CATS2D_03_AN CATS2D Acceptor-Negative at lag 03 CATS 2D3116 CATS2D_04_AN CATS2D Acceptor-Negative at lag 04 CATS 2D3117 CATS2D_05_AN CATS2D Acceptor-Negative at lag 05 CATS 2D3118 CATS2D_06_AN CATS2D Acceptor-Negative at lag 06 CATS 2D3119 CATS2D_07_AN CATS2D Acceptor-Negative at lag 07 CATS 2D3120 CATS2D_08_AN CATS2D Acceptor-Negative at lag 08 CATS 2D3121 CATS2D_09_AN CATS2D Acceptor-Negative at lag 09 CATS 2D3122 CATS2D_00_AL CATS2D Acceptor-Lipophilic at lag 00 CATS 2D3123 CATS2D_01_AL CATS2D Acceptor-Lipophilic at lag 01 CATS 2D3124 CATS2D_02_AL CATS2D Acceptor-Lipophilic at lag 02 CATS 2D3125 CATS2D_03_AL CATS2D Acceptor-Lipophilic at lag 03 CATS 2D3126 CATS2D_04_AL CATS2D Acceptor-Lipophilic at lag 04 CATS 2D3127 CATS2D_05_AL CATS2D Acceptor-Lipophilic at lag 05 CATS 2D3128 CATS2D_06_AL CATS2D Acceptor-Lipophilic at lag 06 CATS 2D3129 CATS2D_07_AL CATS2D Acceptor-Lipophilic at lag 07 CATS 2D3130 CATS2D_08_AL CATS2D Acceptor-Lipophilic at lag 08 CATS 2D3131 CATS2D_09_AL CATS2D Acceptor-Lipophilic at lag 09 CATS 2D3132 CATS2D_00_PP CATS2D Positive-Positive at lag 00 CATS 2D3133 CATS2D_01_PP CATS2D Positive-Positive at lag 01 CATS 2D3134 CATS2D_02_PP CATS2D Positive-Positive at lag 02 CATS 2D3135 CATS2D_03_PP CATS2D Positive-Positive at lag 03 CATS 2D3136 CATS2D_04_PP CATS2D Positive-Positive at lag 04 CATS 2D3137 CATS2D_05_PP CATS2D Positive-Positive at lag 05 CATS 2D3138 CATS2D_06_PP CATS2D Positive-Positive at lag 06 CATS 2D3139 CATS2D_07_PP CATS2D Positive-Positive at lag 07 CATS 2D3140 CATS2D_08_PP CATS2D Positive-Positive at lag 08 CATS 2D3141 CATS2D_09_PP CATS2D Positive-Positive at lag 09 CATS 2D3142 CATS2D_00_PN CATS2D Positive-Negative at lag 00 CATS 2D3143 CATS2D_01_PN CATS2D Positive-Negative at lag 01 CATS 2D3144 CATS2D_02_PN CATS2D Positive-Negative at lag 02 CATS 2D3145 CATS2D_03_PN CATS2D Positive-Negative at lag 03 CATS 2D3146 CATS2D_04_PN CATS2D Positive-Negative at lag 04 CATS 2D3147 CATS2D_05_PN CATS2D Positive-Negative at lag 05 CATS 2D3148 CATS2D_06_PN CATS2D Positive-Negative at lag 06 CATS 2D3149 CATS2D_07_PN CATS2D Positive-Negative at lag 07 CATS 2D3150 CATS2D_08_PN CATS2D Positive-Negative at lag 08 CATS 2D3151 CATS2D_09_PN CATS2D Positive-Negative at lag 09 CATS 2D3152 CATS2D_00_PL CATS2D Positive-Lipophilic at lag 00 CATS 2D3153 CATS2D_01_PL CATS2D Positive-Lipophilic at lag 01 CATS 2D3154 CATS2D_02_PL CATS2D Positive-Lipophilic at lag 02 CATS 2D3155 CATS2D_03_PL CATS2D Positive-Lipophilic at lag 03 CATS 2D3156 CATS2D_04_PL CATS2D Positive-Lipophilic at lag 04 CATS 2D3157 CATS2D_05_PL CATS2D Positive-Lipophilic at lag 05 CATS 2D3158 CATS2D_06_PL CATS2D Positive-Lipophilic at lag 06 CATS 2D3159 CATS2D_07_PL CATS2D Positive-Lipophilic at lag 07 CATS 2D3160 CATS2D_08_PL CATS2D Positive-Lipophilic at lag 08 CATS 2D3161 CATS2D_09_PL CATS2D Positive-Lipophilic at lag 09 CATS 2D3162 CATS2D_00_NN CATS2D Negative-Negative at lag 00 CATS 2D3163 CATS2D_01_NN CATS2D Negative-Negative at lag 01 CATS 2D3164 CATS2D_02_NN CATS2D Negative-Negative at lag 02 CATS 2D

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3165 CATS2D_03_NN CATS2D Negative-Negative at lag 03 CATS 2D3166 CATS2D_04_NN CATS2D Negative-Negative at lag 04 CATS 2D3167 CATS2D_05_NN CATS2D Negative-Negative at lag 05 CATS 2D3168 CATS2D_06_NN CATS2D Negative-Negative at lag 06 CATS 2D3169 CATS2D_07_NN CATS2D Negative-Negative at lag 07 CATS 2D3170 CATS2D_08_NN CATS2D Negative-Negative at lag 08 CATS 2D3171 CATS2D_09_NN CATS2D Negative-Negative at lag 09 CATS 2D3172 CATS2D_00_NL CATS2D Negative-Lipophilic at lag 00 CATS 2D3173 CATS2D_01_NL CATS2D Negative-Lipophilic at lag 01 CATS 2D3174 CATS2D_02_NL CATS2D Negative-Lipophilic at lag 02 CATS 2D3175 CATS2D_03_NL CATS2D Negative-Lipophilic at lag 03 CATS 2D3176 CATS2D_04_NL CATS2D Negative-Lipophilic at lag 04 CATS 2D3177 CATS2D_05_NL CATS2D Negative-Lipophilic at lag 05 CATS 2D3178 CATS2D_06_NL CATS2D Negative-Lipophilic at lag 06 CATS 2D3179 CATS2D_07_NL CATS2D Negative-Lipophilic at lag 07 CATS 2D3180 CATS2D_08_NL CATS2D Negative-Lipophilic at lag 08 CATS 2D3181 CATS2D_09_NL CATS2D Negative-Lipophilic at lag 09 CATS 2D3182 CATS2D_00_LL CATS2D Lipophilic-Lipophilic at lag 00 CATS 2D3183 CATS2D_01_LL CATS2D Lipophilic-Lipophilic at lag 01 CATS 2D3184 CATS2D_02_LL CATS2D Lipophilic-Lipophilic at lag 02 CATS 2D3185 CATS2D_03_LL CATS2D Lipophilic-Lipophilic at lag 03 CATS 2D3186 CATS2D_04_LL CATS2D Lipophilic-Lipophilic at lag 04 CATS 2D3187 CATS2D_05_LL CATS2D Lipophilic-Lipophilic at lag 05 CATS 2D3188 CATS2D_06_LL CATS2D Lipophilic-Lipophilic at lag 06 CATS 2D3189 CATS2D_07_LL CATS2D Lipophilic-Lipophilic at lag 07 CATS 2D3190 CATS2D_08_LL CATS2D Lipophilic-Lipophilic at lag 08 CATS 2D3191 CATS2D_09_LL CATS2D Lipophilic-Lipophilic at lag 09 CATS 2D3192 T(N..N) sum of topological distances between N..N 2D Atom Pairs3193 T(N..O) sum of topological distances between N..O 2D Atom Pairs3194 T(N..S) sum of topological distances between N..S 2D Atom Pairs3195 T(N..P) sum of topological distances between N..P 2D Atom Pairs3196 T(N..F) sum of topological distances between N..F 2D Atom Pairs3197 T(N..Cl) sum of topological distances between N..Cl 2D Atom Pairs3198 T(N..Br) sum of topological distances between N..Br 2D Atom Pairs3199 T(N..I) sum of topological distances between N..I 2D Atom Pairs3200 T(O..O) sum of topological distances between O..O 2D Atom Pairs3201 T(O..S) sum of topological distances between O..S 2D Atom Pairs3202 T(O..P) sum of topological distances between O..P 2D Atom Pairs3203 T(O..F) sum of topological distances between O..F 2D Atom Pairs3204 T(O..Cl) sum of topological distances between O..Cl 2D Atom Pairs3205 T(O..Br) sum of topological distances between O..Br 2D Atom Pairs3206 T(O..I) sum of topological distances between O..I 2D Atom Pairs3207 T(S..S) sum of topological distances between S..S 2D Atom Pairs3208 T(S..P) sum of topological distances between S..P 2D Atom Pairs3209 T(S..F) sum of topological distances between S..F 2D Atom Pairs3210 T(S..Cl) sum of topological distances between S..Cl 2D Atom Pairs3211 T(S..Br) sum of topological distances between S..Br 2D Atom Pairs3212 T(S..I) sum of topological distances between S..I 2D Atom Pairs3213 T(P..P) sum of topological distances between P..P 2D Atom Pairs3214 T(P..F) sum of topological distances between P..F 2D Atom Pairs3215 T(P..Cl) sum of topological distances between P..Cl 2D Atom Pairs3216 T(P..Br) sum of topological distances between P..Br 2D Atom Pairs3217 T(P..I) sum of topological distances between P..I 2D Atom Pairs3218 T(F..F) sum of topological distances between F..F 2D Atom Pairs3219 T(F..Cl) sum of topological distances between F..Cl 2D Atom Pairs3220 T(F..Br) sum of topological distances between F..Br 2D Atom Pairs3221 T(F..I) sum of topological distances between F..I 2D Atom Pairs3222 T(Cl..Cl) sum of topological distances between Cl..Cl 2D Atom Pairs3223 T(Cl..Br) sum of topological distances between Cl..Br 2D Atom Pairs3224 T(Cl..I) sum of topological distances between Cl..I 2D Atom Pairs3225 T(Br..Br) sum of topological distances between Br..Br 2D Atom Pairs3226 T(Br..I) sum of topological distances between Br..I 2D Atom Pairs3227 T(I..I) sum of topological distances between I..I 2D Atom Pairs3228 B01[C-C] Presence/absence of C - C at topological distance 1 2D Atom Pairs3229 B01[C-N] Presence/absence of C - N at topological distance 1 2D Atom Pairs3230 B01[C-O] Presence/absence of C - O at topological distance 1 2D Atom Pairs3231 B01[C-S] Presence/absence of C - S at topological distance 1 2D Atom Pairs3232 B01[C-P] Presence/absence of C - P at topological distance 1 2D Atom Pairs3233 B01[C-F] Presence/absence of C - F at topological distance 1 2D Atom Pairs3234 B01[C-Cl] Presence/absence of C - Cl at topological distance 1 2D Atom Pairs3235 B01[C-Br] Presence/absence of C - Br at topological distance 1 2D Atom Pairs3236 B01[C-I] Presence/absence of C - I at topological distance 1 2D Atom Pairs3237 B01[C-B] Presence/absence of C - B at topological distance 1 2D Atom Pairs3238 B01[C-Si] Presence/absence of C - Si at topological distance 1 2D Atom Pairs3239 B01[C-X] Presence/absence of C - X at topological distance 1 2D Atom Pairs3240 B01[N-N] Presence/absence of N - N at topological distance 1 2D Atom Pairs3241 B01[N-O] Presence/absence of N - O at topological distance 1 2D Atom Pairs3242 B01[N-S] Presence/absence of N - S at topological distance 1 2D Atom Pairs3243 B01[N-P] Presence/absence of N - P at topological distance 1 2D Atom Pairs3244 B01[N-F] Presence/absence of N - F at topological distance 1 2D Atom Pairs3245 B01[N-Cl] Presence/absence of N - Cl at topological distance 1 2D Atom Pairs3246 B01[N-Br] Presence/absence of N - Br at topological distance 1 2D Atom Pairs3247 B01[N-I] Presence/absence of N - I at topological distance 1 2D Atom Pairs3248 B01[N-B] Presence/absence of N - B at topological distance 1 2D Atom Pairs3249 B01[N-Si] Presence/absence of N - Si at topological distance 1 2D Atom Pairs3250 B01[N-X] Presence/absence of N - X at topological distance 1 2D Atom Pairs3251 B01[O-O] Presence/absence of O - O at topological distance 1 2D Atom Pairs3252 B01[O-S] Presence/absence of O - S at topological distance 1 2D Atom Pairs3253 B01[O-P] Presence/absence of O - P at topological distance 1 2D Atom Pairs3254 B01[O-F] Presence/absence of O - F at topological distance 1 2D Atom Pairs3255 B01[O-Cl] Presence/absence of O - Cl at topological distance 1 2D Atom Pairs3256 B01[O-Br] Presence/absence of O - Br at topological distance 1 2D Atom Pairs3257 B01[O-I] Presence/absence of O - I at topological distance 1 2D Atom Pairs3258 B01[O-B] Presence/absence of O - B at topological distance 1 2D Atom Pairs3259 B01[O-Si] Presence/absence of O - Si at topological distance 1 2D Atom Pairs3260 B01[O-X] Presence/absence of O - X at topological distance 1 2D Atom Pairs

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3261 B01[S-S] Presence/absence of S - S at topological distance 1 2D Atom Pairs3262 B01[S-P] Presence/absence of S - P at topological distance 1 2D Atom Pairs3263 B01[S-F] Presence/absence of S - F at topological distance 1 2D Atom Pairs3264 B01[S-Cl] Presence/absence of S - Cl at topological distance 1 2D Atom Pairs3265 B01[S-Br] Presence/absence of S - Br at topological distance 1 2D Atom Pairs3266 B01[S-I] Presence/absence of S - I at topological distance 1 2D Atom Pairs3267 B01[S-B] Presence/absence of S - B at topological distance 1 2D Atom Pairs3268 B01[S-Si] Presence/absence of S - Si at topological distance 1 2D Atom Pairs3269 B01[S-X] Presence/absence of S - X at topological distance 1 2D Atom Pairs3270 B01[P-P] Presence/absence of P - P at topological distance 1 2D Atom Pairs3271 B01[P-F] Presence/absence of P - F at topological distance 1 2D Atom Pairs3272 B01[P-Cl] Presence/absence of P - Cl at topological distance 1 2D Atom Pairs3273 B01[P-Br] Presence/absence of P - Br at topological distance 1 2D Atom Pairs3274 B01[P-I] Presence/absence of P - I at topological distance 1 2D Atom Pairs3275 B01[P-B] Presence/absence of P - B at topological distance 1 2D Atom Pairs3276 B01[P-Si] Presence/absence of P - Si at topological distance 1 2D Atom Pairs3277 B01[P-X] Presence/absence of P - X at topological distance 1 2D Atom Pairs3278 B01[F-F] Presence/absence of F - F at topological distance 1 2D Atom Pairs3279 B01[F-Cl] Presence/absence of F - Cl at topological distance 1 2D Atom Pairs3280 B01[F-Br] Presence/absence of F - Br at topological distance 1 2D Atom Pairs3281 B01[F-I] Presence/absence of F - I at topological distance 1 2D Atom Pairs3282 B01[F-B] Presence/absence of F - B at topological distance 1 2D Atom Pairs3283 B01[F-Si] Presence/absence of F - Si at topological distance 1 2D Atom Pairs3284 B01[F-X] Presence/absence of F - X at topological distance 1 2D Atom Pairs3285 B01[Cl-Cl] Presence/absence of Cl - Cl at topological distance 1 2D Atom Pairs3286 B01[Cl-Br] Presence/absence of Cl - Br at topological distance 1 2D Atom Pairs3287 B01[Cl-I] Presence/absence of Cl - I at topological distance 1 2D Atom Pairs3288 B01[Cl-B] Presence/absence of Cl - B at topological distance 1 2D Atom Pairs3289 B01[Cl-Si] Presence/absence of Cl - Si at topological distance 1 2D Atom Pairs3290 B01[Cl-X] Presence/absence of Cl - X at topological distance 1 2D Atom Pairs3291 B01[Br-Br] Presence/absence of Br - Br at topological distance 1 2D Atom Pairs3292 B01[Br-I] Presence/absence of Br - I at topological distance 1 2D Atom Pairs3293 B01[Br-B] Presence/absence of Br - B at topological distance 1 2D Atom Pairs3294 B01[Br-Si] Presence/absence of Br - Si at topological distance 1 2D Atom Pairs3295 B01[Br-X] Presence/absence of Br - X at topological distance 1 2D Atom Pairs3296 B01[I-I] Presence/absence of I - I at topological distance 1 2D Atom Pairs3297 B01[I-B] Presence/absence of I - B at topological distance 1 2D Atom Pairs3298 B01[I-Si] Presence/absence of I - Si at topological distance 1 2D Atom Pairs3299 B01[I-X] Presence/absence of I - X at topological distance 1 2D Atom Pairs3300 B01[B-B] Presence/absence of B - B at topological distance 1 2D Atom Pairs3301 B01[B-Si] Presence/absence of B - Si at topological distance 1 2D Atom Pairs3302 B01[B-X] Presence/absence of B - X at topological distance 1 2D Atom Pairs3303 B01[Si-Si] Presence/absence of Si - Si at topological distance 1 2D Atom Pairs3304 B01[Si-X] Presence/absence of Si - X at topological distance 1 2D Atom Pairs3305 B01[X-X] Presence/absence of X - X at topological distance 1 2D Atom Pairs3306 B02[C-C] Presence/absence of C - C at topological distance 2 2D Atom Pairs3307 B02[C-N] Presence/absence of C - N at topological distance 2 2D Atom Pairs3308 B02[C-O] Presence/absence of C - O at topological distance 2 2D Atom Pairs3309 B02[C-S] Presence/absence of C - S at topological distance 2 2D Atom Pairs3310 B02[C-P] Presence/absence of C - P at topological distance 2 2D Atom Pairs3311 B02[C-F] Presence/absence of C - F at topological distance 2 2D Atom Pairs3312 B02[C-Cl] Presence/absence of C - Cl at topological distance 2 2D Atom Pairs3313 B02[C-Br] Presence/absence of C - Br at topological distance 2 2D Atom Pairs3314 B02[C-I] Presence/absence of C - I at topological distance 2 2D Atom Pairs3315 B02[C-B] Presence/absence of C - B at topological distance 2 2D Atom Pairs3316 B02[C-Si] Presence/absence of C - Si at topological distance 2 2D Atom Pairs3317 B02[C-X] Presence/absence of C - X at topological distance 2 2D Atom Pairs3318 B02[N-N] Presence/absence of N - N at topological distance 2 2D Atom Pairs3319 B02[N-O] Presence/absence of N - O at topological distance 2 2D Atom Pairs3320 B02[N-S] Presence/absence of N - S at topological distance 2 2D Atom Pairs3321 B02[N-P] Presence/absence of N - P at topological distance 2 2D Atom Pairs3322 B02[N-F] Presence/absence of N - F at topological distance 2 2D Atom Pairs3323 B02[N-Cl] Presence/absence of N - Cl at topological distance 2 2D Atom Pairs3324 B02[N-Br] Presence/absence of N - Br at topological distance 2 2D Atom Pairs3325 B02[N-I] Presence/absence of N - I at topological distance 2 2D Atom Pairs3326 B02[N-B] Presence/absence of N - B at topological distance 2 2D Atom Pairs3327 B02[N-Si] Presence/absence of N - Si at topological distance 2 2D Atom Pairs3328 B02[N-X] Presence/absence of N - X at topological distance 2 2D Atom Pairs3329 B02[O-O] Presence/absence of O - O at topological distance 2 2D Atom Pairs3330 B02[O-S] Presence/absence of O - S at topological distance 2 2D Atom Pairs3331 B02[O-P] Presence/absence of O - P at topological distance 2 2D Atom Pairs3332 B02[O-F] Presence/absence of O - F at topological distance 2 2D Atom Pairs3333 B02[O-Cl] Presence/absence of O - Cl at topological distance 2 2D Atom Pairs3334 B02[O-Br] Presence/absence of O - Br at topological distance 2 2D Atom Pairs3335 B02[O-I] Presence/absence of O - I at topological distance 2 2D Atom Pairs3336 B02[O-B] Presence/absence of O - B at topological distance 2 2D Atom Pairs3337 B02[O-Si] Presence/absence of O - Si at topological distance 2 2D Atom Pairs3338 B02[O-X] Presence/absence of O - X at topological distance 2 2D Atom Pairs3339 B02[S-S] Presence/absence of S - S at topological distance 2 2D Atom Pairs3340 B02[S-P] Presence/absence of S - P at topological distance 2 2D Atom Pairs3341 B02[S-F] Presence/absence of S - F at topological distance 2 2D Atom Pairs3342 B02[S-Cl] Presence/absence of S - Cl at topological distance 2 2D Atom Pairs3343 B02[S-Br] Presence/absence of S - Br at topological distance 2 2D Atom Pairs3344 B02[S-I] Presence/absence of S - I at topological distance 2 2D Atom Pairs3345 B02[S-B] Presence/absence of S - B at topological distance 2 2D Atom Pairs3346 B02[S-Si] Presence/absence of S - Si at topological distance 2 2D Atom Pairs3347 B02[S-X] Presence/absence of S - X at topological distance 2 2D Atom Pairs3348 B02[P-P] Presence/absence of P - P at topological distance 2 2D Atom Pairs3349 B02[P-F] Presence/absence of P - F at topological distance 2 2D Atom Pairs3350 B02[P-Cl] Presence/absence of P - Cl at topological distance 2 2D Atom Pairs3351 B02[P-Br] Presence/absence of P - Br at topological distance 2 2D Atom Pairs3352 B02[P-I] Presence/absence of P - I at topological distance 2 2D Atom Pairs3353 B02[P-B] Presence/absence of P - B at topological distance 2 2D Atom Pairs3354 B02[P-Si] Presence/absence of P - Si at topological distance 2 2D Atom Pairs3355 B02[P-X] Presence/absence of P - X at topological distance 2 2D Atom Pairs3356 B02[F-F] Presence/absence of F - F at topological distance 2 2D Atom Pairs

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3357 B02[F-Cl] Presence/absence of F - Cl at topological distance 2 2D Atom Pairs3358 B02[F-Br] Presence/absence of F - Br at topological distance 2 2D Atom Pairs3359 B02[F-I] Presence/absence of F - I at topological distance 2 2D Atom Pairs3360 B02[F-B] Presence/absence of F - B at topological distance 2 2D Atom Pairs3361 B02[F-Si] Presence/absence of F - Si at topological distance 2 2D Atom Pairs3362 B02[F-X] Presence/absence of F - X at topological distance 2 2D Atom Pairs3363 B02[Cl-Cl] Presence/absence of Cl - Cl at topological distance 2 2D Atom Pairs3364 B02[Cl-Br] Presence/absence of Cl - Br at topological distance 2 2D Atom Pairs3365 B02[Cl-I] Presence/absence of Cl - I at topological distance 2 2D Atom Pairs3366 B02[Cl-B] Presence/absence of Cl - B at topological distance 2 2D Atom Pairs3367 B02[Cl-Si] Presence/absence of Cl - Si at topological distance 2 2D Atom Pairs3368 B02[Cl-X] Presence/absence of Cl - X at topological distance 2 2D Atom Pairs3369 B02[Br-Br] Presence/absence of Br - Br at topological distance 2 2D Atom Pairs3370 B02[Br-I] Presence/absence of Br - I at topological distance 2 2D Atom Pairs3371 B02[Br-B] Presence/absence of Br - B at topological distance 2 2D Atom Pairs3372 B02[Br-Si] Presence/absence of Br - Si at topological distance 2 2D Atom Pairs3373 B02[Br-X] Presence/absence of Br - X at topological distance 2 2D Atom Pairs3374 B02[I-I] Presence/absence of I - I at topological distance 2 2D Atom Pairs3375 B02[I-B] Presence/absence of I - B at topological distance 2 2D Atom Pairs3376 B02[I-Si] Presence/absence of I - Si at topological distance 2 2D Atom Pairs3377 B02[I-X] Presence/absence of I - X at topological distance 2 2D Atom Pairs3378 B02[B-B] Presence/absence of B - B at topological distance 2 2D Atom Pairs3379 B02[B-Si] Presence/absence of B - Si at topological distance 2 2D Atom Pairs3380 B02[B-X] Presence/absence of B - X at topological distance 2 2D Atom Pairs3381 B02[Si-Si] Presence/absence of Si - Si at topological distance 2 2D Atom Pairs3382 B02[Si-X] Presence/absence of Si - X at topological distance 2 2D Atom Pairs3383 B02[X-X] Presence/absence of X - X at topological distance 2 2D Atom Pairs3384 B03[C-C] Presence/absence of C - C at topological distance 3 2D Atom Pairs3385 B03[C-N] Presence/absence of C - N at topological distance 3 2D Atom Pairs3386 B03[C-O] Presence/absence of C - O at topological distance 3 2D Atom Pairs3387 B03[C-S] Presence/absence of C - S at topological distance 3 2D Atom Pairs3388 B03[C-P] Presence/absence of C - P at topological distance 3 2D Atom Pairs3389 B03[C-F] Presence/absence of C - F at topological distance 3 2D Atom Pairs3390 B03[C-Cl] Presence/absence of C - Cl at topological distance 3 2D Atom Pairs3391 B03[C-Br] Presence/absence of C - Br at topological distance 3 2D Atom Pairs3392 B03[C-I] Presence/absence of C - I at topological distance 3 2D Atom Pairs3393 B03[C-B] Presence/absence of C - B at topological distance 3 2D Atom Pairs3394 B03[C-Si] Presence/absence of C - Si at topological distance 3 2D Atom Pairs3395 B03[C-X] Presence/absence of C - X at topological distance 3 2D Atom Pairs3396 B03[N-N] Presence/absence of N - N at topological distance 3 2D Atom Pairs3397 B03[N-O] Presence/absence of N - O at topological distance 3 2D Atom Pairs3398 B03[N-S] Presence/absence of N - S at topological distance 3 2D Atom Pairs3399 B03[N-P] Presence/absence of N - P at topological distance 3 2D Atom Pairs3400 B03[N-F] Presence/absence of N - F at topological distance 3 2D Atom Pairs3401 B03[N-Cl] Presence/absence of N - Cl at topological distance 3 2D Atom Pairs3402 B03[N-Br] Presence/absence of N - Br at topological distance 3 2D Atom Pairs3403 B03[N-I] Presence/absence of N - I at topological distance 3 2D Atom Pairs3404 B03[N-B] Presence/absence of N - B at topological distance 3 2D Atom Pairs3405 B03[N-Si] Presence/absence of N - Si at topological distance 3 2D Atom Pairs3406 B03[N-X] Presence/absence of N - X at topological distance 3 2D Atom Pairs3407 B03[O-O] Presence/absence of O - O at topological distance 3 2D Atom Pairs3408 B03[O-S] Presence/absence of O - S at topological distance 3 2D Atom Pairs3409 B03[O-P] Presence/absence of O - P at topological distance 3 2D Atom Pairs3410 B03[O-F] Presence/absence of O - F at topological distance 3 2D Atom Pairs3411 B03[O-Cl] Presence/absence of O - Cl at topological distance 3 2D Atom Pairs3412 B03[O-Br] Presence/absence of O - Br at topological distance 3 2D Atom Pairs3413 B03[O-I] Presence/absence of O - I at topological distance 3 2D Atom Pairs3414 B03[O-B] Presence/absence of O - B at topological distance 3 2D Atom Pairs3415 B03[O-Si] Presence/absence of O - Si at topological distance 3 2D Atom Pairs3416 B03[O-X] Presence/absence of O - X at topological distance 3 2D Atom Pairs3417 B03[S-S] Presence/absence of S - S at topological distance 3 2D Atom Pairs3418 B03[S-P] Presence/absence of S - P at topological distance 3 2D Atom Pairs3419 B03[S-F] Presence/absence of S - F at topological distance 3 2D Atom Pairs3420 B03[S-Cl] Presence/absence of S - Cl at topological distance 3 2D Atom Pairs3421 B03[S-Br] Presence/absence of S - Br at topological distance 3 2D Atom Pairs3422 B03[S-I] Presence/absence of S - I at topological distance 3 2D Atom Pairs3423 B03[S-B] Presence/absence of S - B at topological distance 3 2D Atom Pairs3424 B03[S-Si] Presence/absence of S - Si at topological distance 3 2D Atom Pairs3425 B03[S-X] Presence/absence of S - X at topological distance 3 2D Atom Pairs3426 B03[P-P] Presence/absence of P - P at topological distance 3 2D Atom Pairs3427 B03[P-F] Presence/absence of P - F at topological distance 3 2D Atom Pairs3428 B03[P-Cl] Presence/absence of P - Cl at topological distance 3 2D Atom Pairs3429 B03[P-Br] Presence/absence of P - Br at topological distance 3 2D Atom Pairs3430 B03[P-I] Presence/absence of P - I at topological distance 3 2D Atom Pairs3431 B03[P-B] Presence/absence of P - B at topological distance 3 2D Atom Pairs3432 B03[P-Si] Presence/absence of P - Si at topological distance 3 2D Atom Pairs3433 B03[P-X] Presence/absence of P - X at topological distance 3 2D Atom Pairs3434 B03[F-F] Presence/absence of F - F at topological distance 3 2D Atom Pairs3435 B03[F-Cl] Presence/absence of F - Cl at topological distance 3 2D Atom Pairs3436 B03[F-Br] Presence/absence of F - Br at topological distance 3 2D Atom Pairs3437 B03[F-I] Presence/absence of F - I at topological distance 3 2D Atom Pairs3438 B03[F-B] Presence/absence of F - B at topological distance 3 2D Atom Pairs3439 B03[F-Si] Presence/absence of F - Si at topological distance 3 2D Atom Pairs3440 B03[F-X] Presence/absence of F - X at topological distance 3 2D Atom Pairs3441 B03[Cl-Cl] Presence/absence of Cl - Cl at topological distance 3 2D Atom Pairs3442 B03[Cl-Br] Presence/absence of Cl - Br at topological distance 3 2D Atom Pairs3443 B03[Cl-I] Presence/absence of Cl - I at topological distance 3 2D Atom Pairs3444 B03[Cl-B] Presence/absence of Cl - B at topological distance 3 2D Atom Pairs3445 B03[Cl-Si] Presence/absence of Cl - Si at topological distance 3 2D Atom Pairs3446 B03[Cl-X] Presence/absence of Cl - X at topological distance 3 2D Atom Pairs3447 B03[Br-Br] Presence/absence of Br - Br at topological distance 3 2D Atom Pairs3448 B03[Br-I] Presence/absence of Br - I at topological distance 3 2D Atom Pairs3449 B03[Br-B] Presence/absence of Br - B at topological distance 3 2D Atom Pairs3450 B03[Br-Si] Presence/absence of Br - Si at topological distance 3 2D Atom Pairs3451 B03[Br-X] Presence/absence of Br - X at topological distance 3 2D Atom Pairs3452 B03[I-I] Presence/absence of I - I at topological distance 3 2D Atom Pairs

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3453 B03[I-B] Presence/absence of I - B at topological distance 3 2D Atom Pairs3454 B03[I-Si] Presence/absence of I - Si at topological distance 3 2D Atom Pairs3455 B03[I-X] Presence/absence of I - X at topological distance 3 2D Atom Pairs3456 B03[B-B] Presence/absence of B - B at topological distance 3 2D Atom Pairs3457 B03[B-Si] Presence/absence of B - Si at topological distance 3 2D Atom Pairs3458 B03[B-X] Presence/absence of B - X at topological distance 3 2D Atom Pairs3459 B03[Si-Si] Presence/absence of Si - Si at topological distance 3 2D Atom Pairs3460 B03[Si-X] Presence/absence of Si - X at topological distance 3 2D Atom Pairs3461 B03[X-X] Presence/absence of X - X at topological distance 3 2D Atom Pairs3462 B04[C-C] Presence/absence of C - C at topological distance 4 2D Atom Pairs3463 B04[C-N] Presence/absence of C - N at topological distance 4 2D Atom Pairs3464 B04[C-O] Presence/absence of C - O at topological distance 4 2D Atom Pairs3465 B04[C-S] Presence/absence of C - S at topological distance 4 2D Atom Pairs3466 B04[C-P] Presence/absence of C - P at topological distance 4 2D Atom Pairs3467 B04[C-F] Presence/absence of C - F at topological distance 4 2D Atom Pairs3468 B04[C-Cl] Presence/absence of C - Cl at topological distance 4 2D Atom Pairs3469 B04[C-Br] Presence/absence of C - Br at topological distance 4 2D Atom Pairs3470 B04[C-I] Presence/absence of C - I at topological distance 4 2D Atom Pairs3471 B04[C-B] Presence/absence of C - B at topological distance 4 2D Atom Pairs3472 B04[C-Si] Presence/absence of C - Si at topological distance 4 2D Atom Pairs3473 B04[C-X] Presence/absence of C - X at topological distance 4 2D Atom Pairs3474 B04[N-N] Presence/absence of N - N at topological distance 4 2D Atom Pairs3475 B04[N-O] Presence/absence of N - O at topological distance 4 2D Atom Pairs3476 B04[N-S] Presence/absence of N - S at topological distance 4 2D Atom Pairs3477 B04[N-P] Presence/absence of N - P at topological distance 4 2D Atom Pairs3478 B04[N-F] Presence/absence of N - F at topological distance 4 2D Atom Pairs3479 B04[N-Cl] Presence/absence of N - Cl at topological distance 4 2D Atom Pairs3480 B04[N-Br] Presence/absence of N - Br at topological distance 4 2D Atom Pairs3481 B04[N-I] Presence/absence of N - I at topological distance 4 2D Atom Pairs3482 B04[N-B] Presence/absence of N - B at topological distance 4 2D Atom Pairs3483 B04[N-Si] Presence/absence of N - Si at topological distance 4 2D Atom Pairs3484 B04[N-X] Presence/absence of N - X at topological distance 4 2D Atom Pairs3485 B04[O-O] Presence/absence of O - O at topological distance 4 2D Atom Pairs3486 B04[O-S] Presence/absence of O - S at topological distance 4 2D Atom Pairs3487 B04[O-P] Presence/absence of O - P at topological distance 4 2D Atom Pairs3488 B04[O-F] Presence/absence of O - F at topological distance 4 2D Atom Pairs3489 B04[O-Cl] Presence/absence of O - Cl at topological distance 4 2D Atom Pairs3490 B04[O-Br] Presence/absence of O - Br at topological distance 4 2D Atom Pairs3491 B04[O-I] Presence/absence of O - I at topological distance 4 2D Atom Pairs3492 B04[O-B] Presence/absence of O - B at topological distance 4 2D Atom Pairs3493 B04[O-Si] Presence/absence of O - Si at topological distance 4 2D Atom Pairs3494 B04[O-X] Presence/absence of O - X at topological distance 4 2D Atom Pairs3495 B04[S-S] Presence/absence of S - S at topological distance 4 2D Atom Pairs3496 B04[S-P] Presence/absence of S - P at topological distance 4 2D Atom Pairs3497 B04[S-F] Presence/absence of S - F at topological distance 4 2D Atom Pairs3498 B04[S-Cl] Presence/absence of S - Cl at topological distance 4 2D Atom Pairs3499 B04[S-Br] Presence/absence of S - Br at topological distance 4 2D Atom Pairs3500 B04[S-I] Presence/absence of S - I at topological distance 4 2D Atom Pairs3501 B04[S-B] Presence/absence of S - B at topological distance 4 2D Atom Pairs3502 B04[S-Si] Presence/absence of S - Si at topological distance 4 2D Atom Pairs3503 B04[S-X] Presence/absence of S - X at topological distance 4 2D Atom Pairs3504 B04[P-P] Presence/absence of P - P at topological distance 4 2D Atom Pairs3505 B04[P-F] Presence/absence of P - F at topological distance 4 2D Atom Pairs3506 B04[P-Cl] Presence/absence of P - Cl at topological distance 4 2D Atom Pairs3507 B04[P-Br] Presence/absence of P - Br at topological distance 4 2D Atom Pairs3508 B04[P-I] Presence/absence of P - I at topological distance 4 2D Atom Pairs3509 B04[P-B] Presence/absence of P - B at topological distance 4 2D Atom Pairs3510 B04[P-Si] Presence/absence of P - Si at topological distance 4 2D Atom Pairs3511 B04[P-X] Presence/absence of P - X at topological distance 4 2D Atom Pairs3512 B04[F-F] Presence/absence of F - F at topological distance 4 2D Atom Pairs3513 B04[F-Cl] Presence/absence of F - Cl at topological distance 4 2D Atom Pairs3514 B04[F-Br] Presence/absence of F - Br at topological distance 4 2D Atom Pairs3515 B04[F-I] Presence/absence of F - I at topological distance 4 2D Atom Pairs3516 B04[F-B] Presence/absence of F - B at topological distance 4 2D Atom Pairs3517 B04[F-Si] Presence/absence of F - Si at topological distance 4 2D Atom Pairs3518 B04[F-X] Presence/absence of F - X at topological distance 4 2D Atom Pairs3519 B04[Cl-Cl] Presence/absence of Cl - Cl at topological distance 4 2D Atom Pairs3520 B04[Cl-Br] Presence/absence of Cl - Br at topological distance 4 2D Atom Pairs3521 B04[Cl-I] Presence/absence of Cl - I at topological distance 4 2D Atom Pairs3522 B04[Cl-B] Presence/absence of Cl - B at topological distance 4 2D Atom Pairs3523 B04[Cl-Si] Presence/absence of Cl - Si at topological distance 4 2D Atom Pairs3524 B04[Cl-X] Presence/absence of Cl - X at topological distance 4 2D Atom Pairs3525 B04[Br-Br] Presence/absence of Br - Br at topological distance 4 2D Atom Pairs3526 B04[Br-I] Presence/absence of Br - I at topological distance 4 2D Atom Pairs3527 B04[Br-B] Presence/absence of Br - B at topological distance 4 2D Atom Pairs3528 B04[Br-Si] Presence/absence of Br - Si at topological distance 4 2D Atom Pairs3529 B04[Br-X] Presence/absence of Br - X at topological distance 4 2D Atom Pairs3530 B04[I-I] Presence/absence of I - I at topological distance 4 2D Atom Pairs3531 B04[I-B] Presence/absence of I - B at topological distance 4 2D Atom Pairs3532 B04[I-Si] Presence/absence of I - Si at topological distance 4 2D Atom Pairs3533 B04[I-X] Presence/absence of I - X at topological distance 4 2D Atom Pairs3534 B04[B-B] Presence/absence of B - B at topological distance 4 2D Atom Pairs3535 B04[B-Si] Presence/absence of B - Si at topological distance 4 2D Atom Pairs3536 B04[B-X] Presence/absence of B - X at topological distance 4 2D Atom Pairs3537 B04[Si-Si] Presence/absence of Si - Si at topological distance 4 2D Atom Pairs3538 B04[Si-X] Presence/absence of Si - X at topological distance 4 2D Atom Pairs3539 B04[X-X] Presence/absence of X - X at topological distance 4 2D Atom Pairs3540 B05[C-C] Presence/absence of C - C at topological distance 5 2D Atom Pairs3541 B05[C-N] Presence/absence of C - N at topological distance 5 2D Atom Pairs3542 B05[C-O] Presence/absence of C - O at topological distance 5 2D Atom Pairs3543 B05[C-S] Presence/absence of C - S at topological distance 5 2D Atom Pairs3544 B05[C-P] Presence/absence of C - P at topological distance 5 2D Atom Pairs3545 B05[C-F] Presence/absence of C - F at topological distance 5 2D Atom Pairs3546 B05[C-Cl] Presence/absence of C - Cl at topological distance 5 2D Atom Pairs3547 B05[C-Br] Presence/absence of C - Br at topological distance 5 2D Atom Pairs3548 B05[C-I] Presence/absence of C - I at topological distance 5 2D Atom Pairs

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3549 B05[C-B] Presence/absence of C - B at topological distance 5 2D Atom Pairs3550 B05[C-Si] Presence/absence of C - Si at topological distance 5 2D Atom Pairs3551 B05[C-X] Presence/absence of C - X at topological distance 5 2D Atom Pairs3552 B05[N-N] Presence/absence of N - N at topological distance 5 2D Atom Pairs3553 B05[N-O] Presence/absence of N - O at topological distance 5 2D Atom Pairs3554 B05[N-S] Presence/absence of N - S at topological distance 5 2D Atom Pairs3555 B05[N-P] Presence/absence of N - P at topological distance 5 2D Atom Pairs3556 B05[N-F] Presence/absence of N - F at topological distance 5 2D Atom Pairs3557 B05[N-Cl] Presence/absence of N - Cl at topological distance 5 2D Atom Pairs3558 B05[N-Br] Presence/absence of N - Br at topological distance 5 2D Atom Pairs3559 B05[N-I] Presence/absence of N - I at topological distance 5 2D Atom Pairs3560 B05[N-B] Presence/absence of N - B at topological distance 5 2D Atom Pairs3561 B05[N-Si] Presence/absence of N - Si at topological distance 5 2D Atom Pairs3562 B05[N-X] Presence/absence of N - X at topological distance 5 2D Atom Pairs3563 B05[O-O] Presence/absence of O - O at topological distance 5 2D Atom Pairs3564 B05[O-S] Presence/absence of O - S at topological distance 5 2D Atom Pairs3565 B05[O-P] Presence/absence of O - P at topological distance 5 2D Atom Pairs3566 B05[O-F] Presence/absence of O - F at topological distance 5 2D Atom Pairs3567 B05[O-Cl] Presence/absence of O - Cl at topological distance 5 2D Atom Pairs3568 B05[O-Br] Presence/absence of O - Br at topological distance 5 2D Atom Pairs3569 B05[O-I] Presence/absence of O - I at topological distance 5 2D Atom Pairs3570 B05[O-B] Presence/absence of O - B at topological distance 5 2D Atom Pairs3571 B05[O-Si] Presence/absence of O - Si at topological distance 5 2D Atom Pairs3572 B05[O-X] Presence/absence of O - X at topological distance 5 2D Atom Pairs3573 B05[S-S] Presence/absence of S - S at topological distance 5 2D Atom Pairs3574 B05[S-P] Presence/absence of S - P at topological distance 5 2D Atom Pairs3575 B05[S-F] Presence/absence of S - F at topological distance 5 2D Atom Pairs3576 B05[S-Cl] Presence/absence of S - Cl at topological distance 5 2D Atom Pairs3577 B05[S-Br] Presence/absence of S - Br at topological distance 5 2D Atom Pairs3578 B05[S-I] Presence/absence of S - I at topological distance 5 2D Atom Pairs3579 B05[S-B] Presence/absence of S - B at topological distance 5 2D Atom Pairs3580 B05[S-Si] Presence/absence of S - Si at topological distance 5 2D Atom Pairs3581 B05[S-X] Presence/absence of S - X at topological distance 5 2D Atom Pairs3582 B05[P-P] Presence/absence of P - P at topological distance 5 2D Atom Pairs3583 B05[P-F] Presence/absence of P - F at topological distance 5 2D Atom Pairs3584 B05[P-Cl] Presence/absence of P - Cl at topological distance 5 2D Atom Pairs3585 B05[P-Br] Presence/absence of P - Br at topological distance 5 2D Atom Pairs3586 B05[P-I] Presence/absence of P - I at topological distance 5 2D Atom Pairs3587 B05[P-B] Presence/absence of P - B at topological distance 5 2D Atom Pairs3588 B05[P-Si] Presence/absence of P - Si at topological distance 5 2D Atom Pairs3589 B05[P-X] Presence/absence of P - X at topological distance 5 2D Atom Pairs3590 B05[F-F] Presence/absence of F - F at topological distance 5 2D Atom Pairs3591 B05[F-Cl] Presence/absence of F - Cl at topological distance 5 2D Atom Pairs3592 B05[F-Br] Presence/absence of F - Br at topological distance 5 2D Atom Pairs3593 B05[F-I] Presence/absence of F - I at topological distance 5 2D Atom Pairs3594 B05[F-B] Presence/absence of F - B at topological distance 5 2D Atom Pairs3595 B05[F-Si] Presence/absence of F - Si at topological distance 5 2D Atom Pairs3596 B05[F-X] Presence/absence of F - X at topological distance 5 2D Atom Pairs3597 B05[Cl-Cl] Presence/absence of Cl - Cl at topological distance 5 2D Atom Pairs3598 B05[Cl-Br] Presence/absence of Cl - Br at topological distance 5 2D Atom Pairs3599 B05[Cl-I] Presence/absence of Cl - I at topological distance 5 2D Atom Pairs3600 B05[Cl-B] Presence/absence of Cl - B at topological distance 5 2D Atom Pairs3601 B05[Cl-Si] Presence/absence of Cl - Si at topological distance 5 2D Atom Pairs3602 B05[Cl-X] Presence/absence of Cl - X at topological distance 5 2D Atom Pairs3603 B05[Br-Br] Presence/absence of Br - Br at topological distance 5 2D Atom Pairs3604 B05[Br-I] Presence/absence of Br - I at topological distance 5 2D Atom Pairs3605 B05[Br-B] Presence/absence of Br - B at topological distance 5 2D Atom Pairs3606 B05[Br-Si] Presence/absence of Br - Si at topological distance 5 2D Atom Pairs3607 B05[Br-X] Presence/absence of Br - X at topological distance 5 2D Atom Pairs3608 B05[I-I] Presence/absence of I - I at topological distance 5 2D Atom Pairs3609 B05[I-B] Presence/absence of I - B at topological distance 5 2D Atom Pairs3610 B05[I-Si] Presence/absence of I - Si at topological distance 5 2D Atom Pairs3611 B05[I-X] Presence/absence of I - X at topological distance 5 2D Atom Pairs3612 B05[B-B] Presence/absence of B - B at topological distance 5 2D Atom Pairs3613 B05[B-Si] Presence/absence of B - Si at topological distance 5 2D Atom Pairs3614 B05[B-X] Presence/absence of B - X at topological distance 5 2D Atom Pairs3615 B05[Si-Si] Presence/absence of Si - Si at topological distance 5 2D Atom Pairs3616 B05[Si-X] Presence/absence of Si - X at topological distance 5 2D Atom Pairs3617 B05[X-X] Presence/absence of X - X at topological distance 5 2D Atom Pairs3618 B06[C-C] Presence/absence of C - C at topological distance 6 2D Atom Pairs3619 B06[C-N] Presence/absence of C - N at topological distance 6 2D Atom Pairs3620 B06[C-O] Presence/absence of C - O at topological distance 6 2D Atom Pairs3621 B06[C-S] Presence/absence of C - S at topological distance 6 2D Atom Pairs3622 B06[C-P] Presence/absence of C - P at topological distance 6 2D Atom Pairs3623 B06[C-F] Presence/absence of C - F at topological distance 6 2D Atom Pairs3624 B06[C-Cl] Presence/absence of C - Cl at topological distance 6 2D Atom Pairs3625 B06[C-Br] Presence/absence of C - Br at topological distance 6 2D Atom Pairs3626 B06[C-I] Presence/absence of C - I at topological distance 6 2D Atom Pairs3627 B06[C-B] Presence/absence of C - B at topological distance 6 2D Atom Pairs3628 B06[C-Si] Presence/absence of C - Si at topological distance 6 2D Atom Pairs3629 B06[C-X] Presence/absence of C - X at topological distance 6 2D Atom Pairs3630 B06[N-N] Presence/absence of N - N at topological distance 6 2D Atom Pairs3631 B06[N-O] Presence/absence of N - O at topological distance 6 2D Atom Pairs3632 B06[N-S] Presence/absence of N - S at topological distance 6 2D Atom Pairs3633 B06[N-P] Presence/absence of N - P at topological distance 6 2D Atom Pairs3634 B06[N-F] Presence/absence of N - F at topological distance 6 2D Atom Pairs3635 B06[N-Cl] Presence/absence of N - Cl at topological distance 6 2D Atom Pairs3636 B06[N-Br] Presence/absence of N - Br at topological distance 6 2D Atom Pairs3637 B06[N-I] Presence/absence of N - I at topological distance 6 2D Atom Pairs3638 B06[N-B] Presence/absence of N - B at topological distance 6 2D Atom Pairs3639 B06[N-Si] Presence/absence of N - Si at topological distance 6 2D Atom Pairs3640 B06[N-X] Presence/absence of N - X at topological distance 6 2D Atom Pairs3641 B06[O-O] Presence/absence of O - O at topological distance 6 2D Atom Pairs3642 B06[O-S] Presence/absence of O - S at topological distance 6 2D Atom Pairs3643 B06[O-P] Presence/absence of O - P at topological distance 6 2D Atom Pairs3644 B06[O-F] Presence/absence of O - F at topological distance 6 2D Atom Pairs

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3645 B06[O-Cl] Presence/absence of O - Cl at topological distance 6 2D Atom Pairs3646 B06[O-Br] Presence/absence of O - Br at topological distance 6 2D Atom Pairs3647 B06[O-I] Presence/absence of O - I at topological distance 6 2D Atom Pairs3648 B06[O-B] Presence/absence of O - B at topological distance 6 2D Atom Pairs3649 B06[O-Si] Presence/absence of O - Si at topological distance 6 2D Atom Pairs3650 B06[O-X] Presence/absence of O - X at topological distance 6 2D Atom Pairs3651 B06[S-S] Presence/absence of S - S at topological distance 6 2D Atom Pairs3652 B06[S-P] Presence/absence of S - P at topological distance 6 2D Atom Pairs3653 B06[S-F] Presence/absence of S - F at topological distance 6 2D Atom Pairs3654 B06[S-Cl] Presence/absence of S - Cl at topological distance 6 2D Atom Pairs3655 B06[S-Br] Presence/absence of S - Br at topological distance 6 2D Atom Pairs3656 B06[S-I] Presence/absence of S - I at topological distance 6 2D Atom Pairs3657 B06[S-B] Presence/absence of S - B at topological distance 6 2D Atom Pairs3658 B06[S-Si] Presence/absence of S - Si at topological distance 6 2D Atom Pairs3659 B06[S-X] Presence/absence of S - X at topological distance 6 2D Atom Pairs3660 B06[P-P] Presence/absence of P - P at topological distance 6 2D Atom Pairs3661 B06[P-F] Presence/absence of P - F at topological distance 6 2D Atom Pairs3662 B06[P-Cl] Presence/absence of P - Cl at topological distance 6 2D Atom Pairs3663 B06[P-Br] Presence/absence of P - Br at topological distance 6 2D Atom Pairs3664 B06[P-I] Presence/absence of P - I at topological distance 6 2D Atom Pairs3665 B06[P-B] Presence/absence of P - B at topological distance 6 2D Atom Pairs3666 B06[P-Si] Presence/absence of P - Si at topological distance 6 2D Atom Pairs3667 B06[P-X] Presence/absence of P - X at topological distance 6 2D Atom Pairs3668 B06[F-F] Presence/absence of F - F at topological distance 6 2D Atom Pairs3669 B06[F-Cl] Presence/absence of F - Cl at topological distance 6 2D Atom Pairs3670 B06[F-Br] Presence/absence of F - Br at topological distance 6 2D Atom Pairs3671 B06[F-I] Presence/absence of F - I at topological distance 6 2D Atom Pairs3672 B06[F-B] Presence/absence of F - B at topological distance 6 2D Atom Pairs3673 B06[F-Si] Presence/absence of F - Si at topological distance 6 2D Atom Pairs3674 B06[F-X] Presence/absence of F - X at topological distance 6 2D Atom Pairs3675 B06[Cl-Cl] Presence/absence of Cl - Cl at topological distance 6 2D Atom Pairs3676 B06[Cl-Br] Presence/absence of Cl - Br at topological distance 6 2D Atom Pairs3677 B06[Cl-I] Presence/absence of Cl - I at topological distance 6 2D Atom Pairs3678 B06[Cl-B] Presence/absence of Cl - B at topological distance 6 2D Atom Pairs3679 B06[Cl-Si] Presence/absence of Cl - Si at topological distance 6 2D Atom Pairs3680 B06[Cl-X] Presence/absence of Cl - X at topological distance 6 2D Atom Pairs3681 B06[Br-Br] Presence/absence of Br - Br at topological distance 6 2D Atom Pairs3682 B06[Br-I] Presence/absence of Br - I at topological distance 6 2D Atom Pairs3683 B06[Br-B] Presence/absence of Br - B at topological distance 6 2D Atom Pairs3684 B06[Br-Si] Presence/absence of Br - Si at topological distance 6 2D Atom Pairs3685 B06[Br-X] Presence/absence of Br - X at topological distance 6 2D Atom Pairs3686 B06[I-I] Presence/absence of I - I at topological distance 6 2D Atom Pairs3687 B06[I-B] Presence/absence of I - B at topological distance 6 2D Atom Pairs3688 B06[I-Si] Presence/absence of I - Si at topological distance 6 2D Atom Pairs3689 B06[I-X] Presence/absence of I - X at topological distance 6 2D Atom Pairs3690 B06[B-B] Presence/absence of B - B at topological distance 6 2D Atom Pairs3691 B06[B-Si] Presence/absence of B - Si at topological distance 6 2D Atom Pairs3692 B06[B-X] Presence/absence of B - X at topological distance 6 2D Atom Pairs3693 B06[Si-Si] Presence/absence of Si - Si at topological distance 6 2D Atom Pairs3694 B06[Si-X] Presence/absence of Si - X at topological distance 6 2D Atom Pairs3695 B06[X-X] Presence/absence of X - X at topological distance 6 2D Atom Pairs3696 B07[C-C] Presence/absence of C - C at topological distance 7 2D Atom Pairs3697 B07[C-N] Presence/absence of C - N at topological distance 7 2D Atom Pairs3698 B07[C-O] Presence/absence of C - O at topological distance 7 2D Atom Pairs3699 B07[C-S] Presence/absence of C - S at topological distance 7 2D Atom Pairs3700 B07[C-P] Presence/absence of C - P at topological distance 7 2D Atom Pairs3701 B07[C-F] Presence/absence of C - F at topological distance 7 2D Atom Pairs3702 B07[C-Cl] Presence/absence of C - Cl at topological distance 7 2D Atom Pairs3703 B07[C-Br] Presence/absence of C - Br at topological distance 7 2D Atom Pairs3704 B07[C-I] Presence/absence of C - I at topological distance 7 2D Atom Pairs3705 B07[C-B] Presence/absence of C - B at topological distance 7 2D Atom Pairs3706 B07[C-Si] Presence/absence of C - Si at topological distance 7 2D Atom Pairs3707 B07[C-X] Presence/absence of C - X at topological distance 7 2D Atom Pairs3708 B07[N-N] Presence/absence of N - N at topological distance 7 2D Atom Pairs3709 B07[N-O] Presence/absence of N - O at topological distance 7 2D Atom Pairs3710 B07[N-S] Presence/absence of N - S at topological distance 7 2D Atom Pairs3711 B07[N-P] Presence/absence of N - P at topological distance 7 2D Atom Pairs3712 B07[N-F] Presence/absence of N - F at topological distance 7 2D Atom Pairs3713 B07[N-Cl] Presence/absence of N - Cl at topological distance 7 2D Atom Pairs3714 B07[N-Br] Presence/absence of N - Br at topological distance 7 2D Atom Pairs3715 B07[N-I] Presence/absence of N - I at topological distance 7 2D Atom Pairs3716 B07[N-B] Presence/absence of N - B at topological distance 7 2D Atom Pairs3717 B07[N-Si] Presence/absence of N - Si at topological distance 7 2D Atom Pairs3718 B07[N-X] Presence/absence of N - X at topological distance 7 2D Atom Pairs3719 B07[O-O] Presence/absence of O - O at topological distance 7 2D Atom Pairs3720 B07[O-S] Presence/absence of O - S at topological distance 7 2D Atom Pairs3721 B07[O-P] Presence/absence of O - P at topological distance 7 2D Atom Pairs3722 B07[O-F] Presence/absence of O - F at topological distance 7 2D Atom Pairs3723 B07[O-Cl] Presence/absence of O - Cl at topological distance 7 2D Atom Pairs3724 B07[O-Br] Presence/absence of O - Br at topological distance 7 2D Atom Pairs3725 B07[O-I] Presence/absence of O - I at topological distance 7 2D Atom Pairs3726 B07[O-B] Presence/absence of O - B at topological distance 7 2D Atom Pairs3727 B07[O-Si] Presence/absence of O - Si at topological distance 7 2D Atom Pairs3728 B07[O-X] Presence/absence of O - X at topological distance 7 2D Atom Pairs3729 B07[S-S] Presence/absence of S - S at topological distance 7 2D Atom Pairs3730 B07[S-P] Presence/absence of S - P at topological distance 7 2D Atom Pairs3731 B07[S-F] Presence/absence of S - F at topological distance 7 2D Atom Pairs3732 B07[S-Cl] Presence/absence of S - Cl at topological distance 7 2D Atom Pairs3733 B07[S-Br] Presence/absence of S - Br at topological distance 7 2D Atom Pairs3734 B07[S-I] Presence/absence of S - I at topological distance 7 2D Atom Pairs3735 B07[S-B] Presence/absence of S - B at topological distance 7 2D Atom Pairs3736 B07[S-Si] Presence/absence of S - Si at topological distance 7 2D Atom Pairs3737 B07[S-X] Presence/absence of S - X at topological distance 7 2D Atom Pairs3738 B07[P-P] Presence/absence of P - P at topological distance 7 2D Atom Pairs3739 B07[P-F] Presence/absence of P - F at topological distance 7 2D Atom Pairs3740 B07[P-Cl] Presence/absence of P - Cl at topological distance 7 2D Atom Pairs

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3741 B07[P-Br] Presence/absence of P - Br at topological distance 7 2D Atom Pairs3742 B07[P-I] Presence/absence of P - I at topological distance 7 2D Atom Pairs3743 B07[P-B] Presence/absence of P - B at topological distance 7 2D Atom Pairs3744 B07[P-Si] Presence/absence of P - Si at topological distance 7 2D Atom Pairs3745 B07[P-X] Presence/absence of P - X at topological distance 7 2D Atom Pairs3746 B07[F-F] Presence/absence of F - F at topological distance 7 2D Atom Pairs3747 B07[F-Cl] Presence/absence of F - Cl at topological distance 7 2D Atom Pairs3748 B07[F-Br] Presence/absence of F - Br at topological distance 7 2D Atom Pairs3749 B07[F-I] Presence/absence of F - I at topological distance 7 2D Atom Pairs3750 B07[F-B] Presence/absence of F - B at topological distance 7 2D Atom Pairs3751 B07[F-Si] Presence/absence of F - Si at topological distance 7 2D Atom Pairs3752 B07[F-X] Presence/absence of F - X at topological distance 7 2D Atom Pairs3753 B07[Cl-Cl] Presence/absence of Cl - Cl at topological distance 7 2D Atom Pairs3754 B07[Cl-Br] Presence/absence of Cl - Br at topological distance 7 2D Atom Pairs3755 B07[Cl-I] Presence/absence of Cl - I at topological distance 7 2D Atom Pairs3756 B07[Cl-B] Presence/absence of Cl - B at topological distance 7 2D Atom Pairs3757 B07[Cl-Si] Presence/absence of Cl - Si at topological distance 7 2D Atom Pairs3758 B07[Cl-X] Presence/absence of Cl - X at topological distance 7 2D Atom Pairs3759 B07[Br-Br] Presence/absence of Br - Br at topological distance 7 2D Atom Pairs3760 B07[Br-I] Presence/absence of Br - I at topological distance 7 2D Atom Pairs3761 B07[Br-B] Presence/absence of Br - B at topological distance 7 2D Atom Pairs3762 B07[Br-Si] Presence/absence of Br - Si at topological distance 7 2D Atom Pairs3763 B07[Br-X] Presence/absence of Br - X at topological distance 7 2D Atom Pairs3764 B07[I-I] Presence/absence of I - I at topological distance 7 2D Atom Pairs3765 B07[I-B] Presence/absence of I - B at topological distance 7 2D Atom Pairs3766 B07[I-Si] Presence/absence of I - Si at topological distance 7 2D Atom Pairs3767 B07[I-X] Presence/absence of I - X at topological distance 7 2D Atom Pairs3768 B07[B-B] Presence/absence of B - B at topological distance 7 2D Atom Pairs3769 B07[B-Si] Presence/absence of B - Si at topological distance 7 2D Atom Pairs3770 B07[B-X] Presence/absence of B - X at topological distance 7 2D Atom Pairs3771 B07[Si-Si] Presence/absence of Si - Si at topological distance 7 2D Atom Pairs3772 B07[Si-X] Presence/absence of Si - X at topological distance 7 2D Atom Pairs3773 B07[X-X] Presence/absence of X - X at topological distance 7 2D Atom Pairs3774 B08[C-C] Presence/absence of C - C at topological distance 8 2D Atom Pairs3775 B08[C-N] Presence/absence of C - N at topological distance 8 2D Atom Pairs3776 B08[C-O] Presence/absence of C - O at topological distance 8 2D Atom Pairs3777 B08[C-S] Presence/absence of C - S at topological distance 8 2D Atom Pairs3778 B08[C-P] Presence/absence of C - P at topological distance 8 2D Atom Pairs3779 B08[C-F] Presence/absence of C - F at topological distance 8 2D Atom Pairs3780 B08[C-Cl] Presence/absence of C - Cl at topological distance 8 2D Atom Pairs3781 B08[C-Br] Presence/absence of C - Br at topological distance 8 2D Atom Pairs3782 B08[C-I] Presence/absence of C - I at topological distance 8 2D Atom Pairs3783 B08[C-B] Presence/absence of C - B at topological distance 8 2D Atom Pairs3784 B08[C-Si] Presence/absence of C - Si at topological distance 8 2D Atom Pairs3785 B08[C-X] Presence/absence of C - X at topological distance 8 2D Atom Pairs3786 B08[N-N] Presence/absence of N - N at topological distance 8 2D Atom Pairs3787 B08[N-O] Presence/absence of N - O at topological distance 8 2D Atom Pairs3788 B08[N-S] Presence/absence of N - S at topological distance 8 2D Atom Pairs3789 B08[N-P] Presence/absence of N - P at topological distance 8 2D Atom Pairs3790 B08[N-F] Presence/absence of N - F at topological distance 8 2D Atom Pairs3791 B08[N-Cl] Presence/absence of N - Cl at topological distance 8 2D Atom Pairs3792 B08[N-Br] Presence/absence of N - Br at topological distance 8 2D Atom Pairs3793 B08[N-I] Presence/absence of N - I at topological distance 8 2D Atom Pairs3794 B08[N-B] Presence/absence of N - B at topological distance 8 2D Atom Pairs3795 B08[N-Si] Presence/absence of N - Si at topological distance 8 2D Atom Pairs3796 B08[N-X] Presence/absence of N - X at topological distance 8 2D Atom Pairs3797 B08[O-O] Presence/absence of O - O at topological distance 8 2D Atom Pairs3798 B08[O-S] Presence/absence of O - S at topological distance 8 2D Atom Pairs3799 B08[O-P] Presence/absence of O - P at topological distance 8 2D Atom Pairs3800 B08[O-F] Presence/absence of O - F at topological distance 8 2D Atom Pairs3801 B08[O-Cl] Presence/absence of O - Cl at topological distance 8 2D Atom Pairs3802 B08[O-Br] Presence/absence of O - Br at topological distance 8 2D Atom Pairs3803 B08[O-I] Presence/absence of O - I at topological distance 8 2D Atom Pairs3804 B08[O-B] Presence/absence of O - B at topological distance 8 2D Atom Pairs3805 B08[O-Si] Presence/absence of O - Si at topological distance 8 2D Atom Pairs3806 B08[O-X] Presence/absence of O - X at topological distance 8 2D Atom Pairs3807 B08[S-S] Presence/absence of S - S at topological distance 8 2D Atom Pairs3808 B08[S-P] Presence/absence of S - P at topological distance 8 2D Atom Pairs3809 B08[S-F] Presence/absence of S - F at topological distance 8 2D Atom Pairs3810 B08[S-Cl] Presence/absence of S - Cl at topological distance 8 2D Atom Pairs3811 B08[S-Br] Presence/absence of S - Br at topological distance 8 2D Atom Pairs3812 B08[S-I] Presence/absence of S - I at topological distance 8 2D Atom Pairs3813 B08[S-B] Presence/absence of S - B at topological distance 8 2D Atom Pairs3814 B08[S-Si] Presence/absence of S - Si at topological distance 8 2D Atom Pairs3815 B08[S-X] Presence/absence of S - X at topological distance 8 2D Atom Pairs3816 B08[P-P] Presence/absence of P - P at topological distance 8 2D Atom Pairs3817 B08[P-F] Presence/absence of P - F at topological distance 8 2D Atom Pairs3818 B08[P-Cl] Presence/absence of P - Cl at topological distance 8 2D Atom Pairs3819 B08[P-Br] Presence/absence of P - Br at topological distance 8 2D Atom Pairs3820 B08[P-I] Presence/absence of P - I at topological distance 8 2D Atom Pairs3821 B08[P-B] Presence/absence of P - B at topological distance 8 2D Atom Pairs3822 B08[P-Si] Presence/absence of P - Si at topological distance 8 2D Atom Pairs3823 B08[P-X] Presence/absence of P - X at topological distance 8 2D Atom Pairs3824 B08[F-F] Presence/absence of F - F at topological distance 8 2D Atom Pairs3825 B08[F-Cl] Presence/absence of F - Cl at topological distance 8 2D Atom Pairs3826 B08[F-Br] Presence/absence of F - Br at topological distance 8 2D Atom Pairs3827 B08[F-I] Presence/absence of F - I at topological distance 8 2D Atom Pairs3828 B08[F-B] Presence/absence of F - B at topological distance 8 2D Atom Pairs3829 B08[F-Si] Presence/absence of F - Si at topological distance 8 2D Atom Pairs3830 B08[F-X] Presence/absence of F - X at topological distance 8 2D Atom Pairs3831 B08[Cl-Cl] Presence/absence of Cl - Cl at topological distance 8 2D Atom Pairs3832 B08[Cl-Br] Presence/absence of Cl - Br at topological distance 8 2D Atom Pairs3833 B08[Cl-I] Presence/absence of Cl - I at topological distance 8 2D Atom Pairs3834 B08[Cl-B] Presence/absence of Cl - B at topological distance 8 2D Atom Pairs3835 B08[Cl-Si] Presence/absence of Cl - Si at topological distance 8 2D Atom Pairs3836 B08[Cl-X] Presence/absence of Cl - X at topological distance 8 2D Atom Pairs

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3837 B08[Br-Br] Presence/absence of Br - Br at topological distance 8 2D Atom Pairs3838 B08[Br-I] Presence/absence of Br - I at topological distance 8 2D Atom Pairs3839 B08[Br-B] Presence/absence of Br - B at topological distance 8 2D Atom Pairs3840 B08[Br-Si] Presence/absence of Br - Si at topological distance 8 2D Atom Pairs3841 B08[Br-X] Presence/absence of Br - X at topological distance 8 2D Atom Pairs3842 B08[I-I] Presence/absence of I - I at topological distance 8 2D Atom Pairs3843 B08[I-B] Presence/absence of I - B at topological distance 8 2D Atom Pairs3844 B08[I-Si] Presence/absence of I - Si at topological distance 8 2D Atom Pairs3845 B08[I-X] Presence/absence of I - X at topological distance 8 2D Atom Pairs3846 B08[B-B] Presence/absence of B - B at topological distance 8 2D Atom Pairs3847 B08[B-Si] Presence/absence of B - Si at topological distance 8 2D Atom Pairs3848 B08[B-X] Presence/absence of B - X at topological distance 8 2D Atom Pairs3849 B08[Si-Si] Presence/absence of Si - Si at topological distance 8 2D Atom Pairs3850 B08[Si-X] Presence/absence of Si - X at topological distance 8 2D Atom Pairs3851 B08[X-X] Presence/absence of X - X at topological distance 8 2D Atom Pairs3852 B09[C-C] Presence/absence of C - C at topological distance 9 2D Atom Pairs3853 B09[C-N] Presence/absence of C - N at topological distance 9 2D Atom Pairs3854 B09[C-O] Presence/absence of C - O at topological distance 9 2D Atom Pairs3855 B09[C-S] Presence/absence of C - S at topological distance 9 2D Atom Pairs3856 B09[C-P] Presence/absence of C - P at topological distance 9 2D Atom Pairs3857 B09[C-F] Presence/absence of C - F at topological distance 9 2D Atom Pairs3858 B09[C-Cl] Presence/absence of C - Cl at topological distance 9 2D Atom Pairs3859 B09[C-Br] Presence/absence of C - Br at topological distance 9 2D Atom Pairs3860 B09[C-I] Presence/absence of C - I at topological distance 9 2D Atom Pairs3861 B09[C-B] Presence/absence of C - B at topological distance 9 2D Atom Pairs3862 B09[C-Si] Presence/absence of C - Si at topological distance 9 2D Atom Pairs3863 B09[C-X] Presence/absence of C - X at topological distance 9 2D Atom Pairs3864 B09[N-N] Presence/absence of N - N at topological distance 9 2D Atom Pairs3865 B09[N-O] Presence/absence of N - O at topological distance 9 2D Atom Pairs3866 B09[N-S] Presence/absence of N - S at topological distance 9 2D Atom Pairs3867 B09[N-P] Presence/absence of N - P at topological distance 9 2D Atom Pairs3868 B09[N-F] Presence/absence of N - F at topological distance 9 2D Atom Pairs3869 B09[N-Cl] Presence/absence of N - Cl at topological distance 9 2D Atom Pairs3870 B09[N-Br] Presence/absence of N - Br at topological distance 9 2D Atom Pairs3871 B09[N-I] Presence/absence of N - I at topological distance 9 2D Atom Pairs3872 B09[N-B] Presence/absence of N - B at topological distance 9 2D Atom Pairs3873 B09[N-Si] Presence/absence of N - Si at topological distance 9 2D Atom Pairs3874 B09[N-X] Presence/absence of N - X at topological distance 9 2D Atom Pairs3875 B09[O-O] Presence/absence of O - O at topological distance 9 2D Atom Pairs3876 B09[O-S] Presence/absence of O - S at topological distance 9 2D Atom Pairs3877 B09[O-P] Presence/absence of O - P at topological distance 9 2D Atom Pairs3878 B09[O-F] Presence/absence of O - F at topological distance 9 2D Atom Pairs3879 B09[O-Cl] Presence/absence of O - Cl at topological distance 9 2D Atom Pairs3880 B09[O-Br] Presence/absence of O - Br at topological distance 9 2D Atom Pairs3881 B09[O-I] Presence/absence of O - I at topological distance 9 2D Atom Pairs3882 B09[O-B] Presence/absence of O - B at topological distance 9 2D Atom Pairs3883 B09[O-Si] Presence/absence of O - Si at topological distance 9 2D Atom Pairs3884 B09[O-X] Presence/absence of O - X at topological distance 9 2D Atom Pairs3885 B09[S-S] Presence/absence of S - S at topological distance 9 2D Atom Pairs3886 B09[S-P] Presence/absence of S - P at topological distance 9 2D Atom Pairs3887 B09[S-F] Presence/absence of S - F at topological distance 9 2D Atom Pairs3888 B09[S-Cl] Presence/absence of S - Cl at topological distance 9 2D Atom Pairs3889 B09[S-Br] Presence/absence of S - Br at topological distance 9 2D Atom Pairs3890 B09[S-I] Presence/absence of S - I at topological distance 9 2D Atom Pairs3891 B09[S-B] Presence/absence of S - B at topological distance 9 2D Atom Pairs3892 B09[S-Si] Presence/absence of S - Si at topological distance 9 2D Atom Pairs3893 B09[S-X] Presence/absence of S - X at topological distance 9 2D Atom Pairs3894 B09[P-P] Presence/absence of P - P at topological distance 9 2D Atom Pairs3895 B09[P-F] Presence/absence of P - F at topological distance 9 2D Atom Pairs3896 B09[P-Cl] Presence/absence of P - Cl at topological distance 9 2D Atom Pairs3897 B09[P-Br] Presence/absence of P - Br at topological distance 9 2D Atom Pairs3898 B09[P-I] Presence/absence of P - I at topological distance 9 2D Atom Pairs3899 B09[P-B] Presence/absence of P - B at topological distance 9 2D Atom Pairs3900 B09[P-Si] Presence/absence of P - Si at topological distance 9 2D Atom Pairs3901 B09[P-X] Presence/absence of P - X at topological distance 9 2D Atom Pairs3902 B09[F-F] Presence/absence of F - F at topological distance 9 2D Atom Pairs3903 B09[F-Cl] Presence/absence of F - Cl at topological distance 9 2D Atom Pairs3904 B09[F-Br] Presence/absence of F - Br at topological distance 9 2D Atom Pairs3905 B09[F-I] Presence/absence of F - I at topological distance 9 2D Atom Pairs3906 B09[F-B] Presence/absence of F - B at topological distance 9 2D Atom Pairs3907 B09[F-Si] Presence/absence of F - Si at topological distance 9 2D Atom Pairs3908 B09[F-X] Presence/absence of F - X at topological distance 9 2D Atom Pairs3909 B09[Cl-Cl] Presence/absence of Cl - Cl at topological distance 9 2D Atom Pairs3910 B09[Cl-Br] Presence/absence of Cl - Br at topological distance 9 2D Atom Pairs3911 B09[Cl-I] Presence/absence of Cl - I at topological distance 9 2D Atom Pairs3912 B09[Cl-B] Presence/absence of Cl - B at topological distance 9 2D Atom Pairs3913 B09[Cl-Si] Presence/absence of Cl - Si at topological distance 9 2D Atom Pairs3914 B09[Cl-X] Presence/absence of Cl - X at topological distance 9 2D Atom Pairs3915 B09[Br-Br] Presence/absence of Br - Br at topological distance 9 2D Atom Pairs3916 B09[Br-I] Presence/absence of Br - I at topological distance 9 2D Atom Pairs3917 B09[Br-B] Presence/absence of Br - B at topological distance 9 2D Atom Pairs3918 B09[Br-Si] Presence/absence of Br - Si at topological distance 9 2D Atom Pairs3919 B09[Br-X] Presence/absence of Br - X at topological distance 9 2D Atom Pairs3920 B09[I-I] Presence/absence of I - I at topological distance 9 2D Atom Pairs3921 B09[I-B] Presence/absence of I - B at topological distance 9 2D Atom Pairs3922 B09[I-Si] Presence/absence of I - Si at topological distance 9 2D Atom Pairs3923 B09[I-X] Presence/absence of I - X at topological distance 9 2D Atom Pairs3924 B09[B-B] Presence/absence of B - B at topological distance 9 2D Atom Pairs3925 B09[B-Si] Presence/absence of B - Si at topological distance 9 2D Atom Pairs3926 B09[B-X] Presence/absence of B - X at topological distance 9 2D Atom Pairs3927 B09[Si-Si] Presence/absence of Si - Si at topological distance 9 2D Atom Pairs3928 B09[Si-X] Presence/absence of Si - X at topological distance 9 2D Atom Pairs3929 B09[X-X] Presence/absence of X - X at topological distance 9 2D Atom Pairs3930 B10[C-C] Presence/absence of C - C at topological distance 10 2D Atom Pairs3931 B10[C-N] Presence/absence of C - N at topological distance 10 2D Atom Pairs3932 B10[C-O] Presence/absence of C - O at topological distance 10 2D Atom Pairs

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3933 B10[C-S] Presence/absence of C - S at topological distance 10 2D Atom Pairs3934 B10[C-P] Presence/absence of C - P at topological distance 10 2D Atom Pairs3935 B10[C-F] Presence/absence of C - F at topological distance 10 2D Atom Pairs3936 B10[C-Cl] Presence/absence of C - Cl at topological distance 10 2D Atom Pairs3937 B10[C-Br] Presence/absence of C - Br at topological distance 10 2D Atom Pairs3938 B10[C-I] Presence/absence of C - I at topological distance 10 2D Atom Pairs3939 B10[C-B] Presence/absence of C - B at topological distance 10 2D Atom Pairs3940 B10[C-Si] Presence/absence of C - Si at topological distance 10 2D Atom Pairs3941 B10[C-X] Presence/absence of C - X at topological distance 10 2D Atom Pairs3942 B10[N-N] Presence/absence of N - N at topological distance 10 2D Atom Pairs3943 B10[N-O] Presence/absence of N - O at topological distance 10 2D Atom Pairs3944 B10[N-S] Presence/absence of N - S at topological distance 10 2D Atom Pairs3945 B10[N-P] Presence/absence of N - P at topological distance 10 2D Atom Pairs3946 B10[N-F] Presence/absence of N - F at topological distance 10 2D Atom Pairs3947 B10[N-Cl] Presence/absence of N - Cl at topological distance 10 2D Atom Pairs3948 B10[N-Br] Presence/absence of N - Br at topological distance 10 2D Atom Pairs3949 B10[N-I] Presence/absence of N - I at topological distance 10 2D Atom Pairs3950 B10[N-B] Presence/absence of N - B at topological distance 10 2D Atom Pairs3951 B10[N-Si] Presence/absence of N - Si at topological distance 10 2D Atom Pairs3952 B10[N-X] Presence/absence of N - X at topological distance 10 2D Atom Pairs3953 B10[O-O] Presence/absence of O - O at topological distance 10 2D Atom Pairs3954 B10[O-S] Presence/absence of O - S at topological distance 10 2D Atom Pairs3955 B10[O-P] Presence/absence of O - P at topological distance 10 2D Atom Pairs3956 B10[O-F] Presence/absence of O - F at topological distance 10 2D Atom Pairs3957 B10[O-Cl] Presence/absence of O - Cl at topological distance 10 2D Atom Pairs3958 B10[O-Br] Presence/absence of O - Br at topological distance 10 2D Atom Pairs3959 B10[O-I] Presence/absence of O - I at topological distance 10 2D Atom Pairs3960 B10[O-B] Presence/absence of O - B at topological distance 10 2D Atom Pairs3961 B10[O-Si] Presence/absence of O - Si at topological distance 10 2D Atom Pairs3962 B10[O-X] Presence/absence of O - X at topological distance 10 2D Atom Pairs3963 B10[S-S] Presence/absence of S - S at topological distance 10 2D Atom Pairs3964 B10[S-P] Presence/absence of S - P at topological distance 10 2D Atom Pairs3965 B10[S-F] Presence/absence of S - F at topological distance 10 2D Atom Pairs3966 B10[S-Cl] Presence/absence of S - Cl at topological distance 10 2D Atom Pairs3967 B10[S-Br] Presence/absence of S - Br at topological distance 10 2D Atom Pairs3968 B10[S-I] Presence/absence of S - I at topological distance 10 2D Atom Pairs3969 B10[S-B] Presence/absence of S - B at topological distance 10 2D Atom Pairs3970 B10[S-Si] Presence/absence of S - Si at topological distance 10 2D Atom Pairs3971 B10[S-X] Presence/absence of S - X at topological distance 10 2D Atom Pairs3972 B10[P-P] Presence/absence of P - P at topological distance 10 2D Atom Pairs3973 B10[P-F] Presence/absence of P - F at topological distance 10 2D Atom Pairs3974 B10[P-Cl] Presence/absence of P - Cl at topological distance 10 2D Atom Pairs3975 B10[P-Br] Presence/absence of P - Br at topological distance 10 2D Atom Pairs3976 B10[P-I] Presence/absence of P - I at topological distance 10 2D Atom Pairs3977 B10[P-B] Presence/absence of P - B at topological distance 10 2D Atom Pairs3978 B10[P-Si] Presence/absence of P - Si at topological distance 10 2D Atom Pairs3979 B10[P-X] Presence/absence of P - X at topological distance 10 2D Atom Pairs3980 B10[F-F] Presence/absence of F - F at topological distance 10 2D Atom Pairs3981 B10[F-Cl] Presence/absence of F - Cl at topological distance 10 2D Atom Pairs3982 B10[F-Br] Presence/absence of F - Br at topological distance 10 2D Atom Pairs3983 B10[F-I] Presence/absence of F - I at topological distance 10 2D Atom Pairs3984 B10[F-B] Presence/absence of F - B at topological distance 10 2D Atom Pairs3985 B10[F-Si] Presence/absence of F - Si at topological distance 10 2D Atom Pairs3986 B10[F-X] Presence/absence of F - X at topological distance 10 2D Atom Pairs3987 B10[Cl-Cl] Presence/absence of Cl - Cl at topological distance 10 2D Atom Pairs3988 B10[Cl-Br] Presence/absence of Cl - Br at topological distance 10 2D Atom Pairs3989 B10[Cl-I] Presence/absence of Cl - I at topological distance 10 2D Atom Pairs3990 B10[Cl-B] Presence/absence of Cl - B at topological distance 10 2D Atom Pairs3991 B10[Cl-Si] Presence/absence of Cl - Si at topological distance 10 2D Atom Pairs3992 B10[Cl-X] Presence/absence of Cl - X at topological distance 10 2D Atom Pairs3993 B10[Br-Br] Presence/absence of Br - Br at topological distance 10 2D Atom Pairs3994 B10[Br-I] Presence/absence of Br - I at topological distance 10 2D Atom Pairs3995 B10[Br-B] Presence/absence of Br - B at topological distance 10 2D Atom Pairs3996 B10[Br-Si] Presence/absence of Br - Si at topological distance 10 2D Atom Pairs3997 B10[Br-X] Presence/absence of Br - X at topological distance 10 2D Atom Pairs3998 B10[I-I] Presence/absence of I - I at topological distance 10 2D Atom Pairs3999 B10[I-B] Presence/absence of I - B at topological distance 10 2D Atom Pairs4000 B10[I-Si] Presence/absence of I - Si at topological distance 10 2D Atom Pairs4001 B10[I-X] Presence/absence of I - X at topological distance 10 2D Atom Pairs4002 B10[B-B] Presence/absence of B - B at topological distance 10 2D Atom Pairs4003 B10[B-Si] Presence/absence of B - Si at topological distance 10 2D Atom Pairs4004 B10[B-X] Presence/absence of B - X at topological distance 10 2D Atom Pairs4005 B10[Si-Si] Presence/absence of Si - Si at topological distance 10 2D Atom Pairs4006 B10[Si-X] Presence/absence of Si - X at topological distance 10 2D Atom Pairs4007 B10[X-X] Presence/absence of X - X at topological distance 10 2D Atom Pairs4008 F01[C-C] Frequency of C - C at topological distance 1 2D Atom Pairs4009 F01[C-N] Frequency of C - N at topological distance 1 2D Atom Pairs4010 F01[C-O] Frequency of C - O at topological distance 1 2D Atom Pairs4011 F01[C-S] Frequency of C - S at topological distance 1 2D Atom Pairs4012 F01[C-P] Frequency of C - P at topological distance 1 2D Atom Pairs4013 F01[C-F] Frequency of C - F at topological distance 1 2D Atom Pairs4014 F01[C-Cl] Frequency of C - Cl at topological distance 1 2D Atom Pairs4015 F01[C-Br] Frequency of C - Br at topological distance 1 2D Atom Pairs4016 F01[C-I] Frequency of C - I at topological distance 1 2D Atom Pairs4017 F01[C-B] Frequency of C - B at topological distance 1 2D Atom Pairs4018 F01[C-Si] Frequency of C - Si at topological distance 1 2D Atom Pairs4019 F01[C-X] Frequency of C - X at topological distance 1 2D Atom Pairs4020 F01[N-N] Frequency of N - N at topological distance 1 2D Atom Pairs4021 F01[N-O] Frequency of N - O at topological distance 1 2D Atom Pairs4022 F01[N-S] Frequency of N - S at topological distance 1 2D Atom Pairs4023 F01[N-P] Frequency of N - P at topological distance 1 2D Atom Pairs4024 F01[N-F] Frequency of N - F at topological distance 1 2D Atom Pairs4025 F01[N-Cl] Frequency of N - Cl at topological distance 1 2D Atom Pairs4026 F01[N-Br] Frequency of N - Br at topological distance 1 2D Atom Pairs4027 F01[N-I] Frequency of N - I at topological distance 1 2D Atom Pairs4028 F01[N-B] Frequency of N - B at topological distance 1 2D Atom Pairs

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4029 F01[N-Si] Frequency of N - Si at topological distance 1 2D Atom Pairs4030 F01[N-X] Frequency of N - X at topological distance 1 2D Atom Pairs4031 F01[O-O] Frequency of O - O at topological distance 1 2D Atom Pairs4032 F01[O-S] Frequency of O - S at topological distance 1 2D Atom Pairs4033 F01[O-P] Frequency of O - P at topological distance 1 2D Atom Pairs4034 F01[O-F] Frequency of O - F at topological distance 1 2D Atom Pairs4035 F01[O-Cl] Frequency of O - Cl at topological distance 1 2D Atom Pairs4036 F01[O-Br] Frequency of O - Br at topological distance 1 2D Atom Pairs4037 F01[O-I] Frequency of O - I at topological distance 1 2D Atom Pairs4038 F01[O-B] Frequency of O - B at topological distance 1 2D Atom Pairs4039 F01[O-Si] Frequency of O - Si at topological distance 1 2D Atom Pairs4040 F01[O-X] Frequency of O - X at topological distance 1 2D Atom Pairs4041 F01[S-S] Frequency of S - S at topological distance 1 2D Atom Pairs4042 F01[S-P] Frequency of S - P at topological distance 1 2D Atom Pairs4043 F01[S-F] Frequency of S - F at topological distance 1 2D Atom Pairs4044 F01[S-Cl] Frequency of S - Cl at topological distance 1 2D Atom Pairs4045 F01[S-Br] Frequency of S - Br at topological distance 1 2D Atom Pairs4046 F01[S-I] Frequency of S - I at topological distance 1 2D Atom Pairs4047 F01[S-B] Frequency of S - B at topological distance 1 2D Atom Pairs4048 F01[S-Si] Frequency of S - Si at topological distance 1 2D Atom Pairs4049 F01[S-X] Frequency of S - X at topological distance 1 2D Atom Pairs4050 F01[P-P] Frequency of P - P at topological distance 1 2D Atom Pairs4051 F01[P-F] Frequency of P - F at topological distance 1 2D Atom Pairs4052 F01[P-Cl] Frequency of P - Cl at topological distance 1 2D Atom Pairs4053 F01[P-Br] Frequency of P - Br at topological distance 1 2D Atom Pairs4054 F01[P-I] Frequency of P - I at topological distance 1 2D Atom Pairs4055 F01[P-B] Frequency of P - B at topological distance 1 2D Atom Pairs4056 F01[P-Si] Frequency of P - Si at topological distance 1 2D Atom Pairs4057 F01[P-X] Frequency of P - X at topological distance 1 2D Atom Pairs4058 F01[F-F] Frequency of F - F at topological distance 1 2D Atom Pairs4059 F01[F-Cl] Frequency of F - Cl at topological distance 1 2D Atom Pairs4060 F01[F-Br] Frequency of F - Br at topological distance 1 2D Atom Pairs4061 F01[F-I] Frequency of F - I at topological distance 1 2D Atom Pairs4062 F01[F-B] Frequency of F - B at topological distance 1 2D Atom Pairs4063 F01[F-Si] Frequency of F - Si at topological distance 1 2D Atom Pairs4064 F01[F-X] Frequency of F - X at topological distance 1 2D Atom Pairs4065 F01[Cl-Cl] Frequency of Cl - Cl at topological distance 1 2D Atom Pairs4066 F01[Cl-Br] Frequency of Cl - Br at topological distance 1 2D Atom Pairs4067 F01[Cl-I] Frequency of Cl - I at topological distance 1 2D Atom Pairs4068 F01[Cl-B] Frequency of Cl - B at topological distance 1 2D Atom Pairs4069 F01[Cl-Si] Frequency of Cl - Si at topological distance 1 2D Atom Pairs4070 F01[Cl-X] Frequency of Cl - X at topological distance 1 2D Atom Pairs4071 F01[Br-Br] Frequency of Br - Br at topological distance 1 2D Atom Pairs4072 F01[Br-I] Frequency of Br - I at topological distance 1 2D Atom Pairs4073 F01[Br-B] Frequency of Br - B at topological distance 1 2D Atom Pairs4074 F01[Br-Si] Frequency of Br - Si at topological distance 1 2D Atom Pairs4075 F01[Br-X] Frequency of Br - X at topological distance 1 2D Atom Pairs4076 F01[I-I] Frequency of I - I at topological distance 1 2D Atom Pairs4077 F01[I-B] Frequency of I - B at topological distance 1 2D Atom Pairs4078 F01[I-Si] Frequency of I - Si at topological distance 1 2D Atom Pairs4079 F01[I-X] Frequency of I - X at topological distance 1 2D Atom Pairs4080 F01[B-B] Frequency of B - B at topological distance 1 2D Atom Pairs4081 F01[B-Si] Frequency of B - Si at topological distance 1 2D Atom Pairs4082 F01[B-X] Frequency of B - X at topological distance 1 2D Atom Pairs4083 F01[Si-Si] Frequency of Si - Si at topological distance 1 2D Atom Pairs4084 F01[Si-X] Frequency of Si - X at topological distance 1 2D Atom Pairs4085 F01[X-X] Frequency of X - X at topological distance 1 2D Atom Pairs4086 F02[C-C] Frequency of C - C at topological distance 2 2D Atom Pairs4087 F02[C-N] Frequency of C - N at topological distance 2 2D Atom Pairs4088 F02[C-O] Frequency of C - O at topological distance 2 2D Atom Pairs4089 F02[C-S] Frequency of C - S at topological distance 2 2D Atom Pairs4090 F02[C-P] Frequency of C - P at topological distance 2 2D Atom Pairs4091 F02[C-F] Frequency of C - F at topological distance 2 2D Atom Pairs4092 F02[C-Cl] Frequency of C - Cl at topological distance 2 2D Atom Pairs4093 F02[C-Br] Frequency of C - Br at topological distance 2 2D Atom Pairs4094 F02[C-I] Frequency of C - I at topological distance 2 2D Atom Pairs4095 F02[C-B] Frequency of C - B at topological distance 2 2D Atom Pairs4096 F02[C-Si] Frequency of C - Si at topological distance 2 2D Atom Pairs4097 F02[C-X] Frequency of C - X at topological distance 2 2D Atom Pairs4098 F02[N-N] Frequency of N - N at topological distance 2 2D Atom Pairs4099 F02[N-O] Frequency of N - O at topological distance 2 2D Atom Pairs4100 F02[N-S] Frequency of N - S at topological distance 2 2D Atom Pairs4101 F02[N-P] Frequency of N - P at topological distance 2 2D Atom Pairs4102 F02[N-F] Frequency of N - F at topological distance 2 2D Atom Pairs4103 F02[N-Cl] Frequency of N - Cl at topological distance 2 2D Atom Pairs4104 F02[N-Br] Frequency of N - Br at topological distance 2 2D Atom Pairs4105 F02[N-I] Frequency of N - I at topological distance 2 2D Atom Pairs4106 F02[N-B] Frequency of N - B at topological distance 2 2D Atom Pairs4107 F02[N-Si] Frequency of N - Si at topological distance 2 2D Atom Pairs4108 F02[N-X] Frequency of N - X at topological distance 2 2D Atom Pairs4109 F02[O-O] Frequency of O - O at topological distance 2 2D Atom Pairs4110 F02[O-S] Frequency of O - S at topological distance 2 2D Atom Pairs4111 F02[O-P] Frequency of O - P at topological distance 2 2D Atom Pairs4112 F02[O-F] Frequency of O - F at topological distance 2 2D Atom Pairs4113 F02[O-Cl] Frequency of O - Cl at topological distance 2 2D Atom Pairs4114 F02[O-Br] Frequency of O - Br at topological distance 2 2D Atom Pairs4115 F02[O-I] Frequency of O - I at topological distance 2 2D Atom Pairs4116 F02[O-B] Frequency of O - B at topological distance 2 2D Atom Pairs4117 F02[O-Si] Frequency of O - Si at topological distance 2 2D Atom Pairs4118 F02[O-X] Frequency of O - X at topological distance 2 2D Atom Pairs4119 F02[S-S] Frequency of S - S at topological distance 2 2D Atom Pairs4120 F02[S-P] Frequency of S - P at topological distance 2 2D Atom Pairs4121 F02[S-F] Frequency of S - F at topological distance 2 2D Atom Pairs4122 F02[S-Cl] Frequency of S - Cl at topological distance 2 2D Atom Pairs4123 F02[S-Br] Frequency of S - Br at topological distance 2 2D Atom Pairs4124 F02[S-I] Frequency of S - I at topological distance 2 2D Atom Pairs

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4125 F02[S-B] Frequency of S - B at topological distance 2 2D Atom Pairs4126 F02[S-Si] Frequency of S - Si at topological distance 2 2D Atom Pairs4127 F02[S-X] Frequency of S - X at topological distance 2 2D Atom Pairs4128 F02[P-P] Frequency of P - P at topological distance 2 2D Atom Pairs4129 F02[P-F] Frequency of P - F at topological distance 2 2D Atom Pairs4130 F02[P-Cl] Frequency of P - Cl at topological distance 2 2D Atom Pairs4131 F02[P-Br] Frequency of P - Br at topological distance 2 2D Atom Pairs4132 F02[P-I] Frequency of P - I at topological distance 2 2D Atom Pairs4133 F02[P-B] Frequency of P - B at topological distance 2 2D Atom Pairs4134 F02[P-Si] Frequency of P - Si at topological distance 2 2D Atom Pairs4135 F02[P-X] Frequency of P - X at topological distance 2 2D Atom Pairs4136 F02[F-F] Frequency of F - F at topological distance 2 2D Atom Pairs4137 F02[F-Cl] Frequency of F - Cl at topological distance 2 2D Atom Pairs4138 F02[F-Br] Frequency of F - Br at topological distance 2 2D Atom Pairs4139 F02[F-I] Frequency of F - I at topological distance 2 2D Atom Pairs4140 F02[F-B] Frequency of F - B at topological distance 2 2D Atom Pairs4141 F02[F-Si] Frequency of F - Si at topological distance 2 2D Atom Pairs4142 F02[F-X] Frequency of F - X at topological distance 2 2D Atom Pairs4143 F02[Cl-Cl] Frequency of Cl - Cl at topological distance 2 2D Atom Pairs4144 F02[Cl-Br] Frequency of Cl - Br at topological distance 2 2D Atom Pairs4145 F02[Cl-I] Frequency of Cl - I at topological distance 2 2D Atom Pairs4146 F02[Cl-B] Frequency of Cl - B at topological distance 2 2D Atom Pairs4147 F02[Cl-Si] Frequency of Cl - Si at topological distance 2 2D Atom Pairs4148 F02[Cl-X] Frequency of Cl - X at topological distance 2 2D Atom Pairs4149 F02[Br-Br] Frequency of Br - Br at topological distance 2 2D Atom Pairs4150 F02[Br-I] Frequency of Br - I at topological distance 2 2D Atom Pairs4151 F02[Br-B] Frequency of Br - B at topological distance 2 2D Atom Pairs4152 F02[Br-Si] Frequency of Br - Si at topological distance 2 2D Atom Pairs4153 F02[Br-X] Frequency of Br - X at topological distance 2 2D Atom Pairs4154 F02[I-I] Frequency of I - I at topological distance 2 2D Atom Pairs4155 F02[I-B] Frequency of I - B at topological distance 2 2D Atom Pairs4156 F02[I-Si] Frequency of I - Si at topological distance 2 2D Atom Pairs4157 F02[I-X] Frequency of I - X at topological distance 2 2D Atom Pairs4158 F02[B-B] Frequency of B - B at topological distance 2 2D Atom Pairs4159 F02[B-Si] Frequency of B - Si at topological distance 2 2D Atom Pairs4160 F02[B-X] Frequency of B - X at topological distance 2 2D Atom Pairs4161 F02[Si-Si] Frequency of Si - Si at topological distance 2 2D Atom Pairs4162 F02[Si-X] Frequency of Si - X at topological distance 2 2D Atom Pairs4163 F02[X-X] Frequency of X - X at topological distance 2 2D Atom Pairs4164 F03[C-C] Frequency of C - C at topological distance 3 2D Atom Pairs4165 F03[C-N] Frequency of C - N at topological distance 3 2D Atom Pairs4166 F03[C-O] Frequency of C - O at topological distance 3 2D Atom Pairs4167 F03[C-S] Frequency of C - S at topological distance 3 2D Atom Pairs4168 F03[C-P] Frequency of C - P at topological distance 3 2D Atom Pairs4169 F03[C-F] Frequency of C - F at topological distance 3 2D Atom Pairs4170 F03[C-Cl] Frequency of C - Cl at topological distance 3 2D Atom Pairs4171 F03[C-Br] Frequency of C - Br at topological distance 3 2D Atom Pairs4172 F03[C-I] Frequency of C - I at topological distance 3 2D Atom Pairs4173 F03[C-B] Frequency of C - B at topological distance 3 2D Atom Pairs4174 F03[C-Si] Frequency of C - Si at topological distance 3 2D Atom Pairs4175 F03[C-X] Frequency of C - X at topological distance 3 2D Atom Pairs4176 F03[N-N] Frequency of N - N at topological distance 3 2D Atom Pairs4177 F03[N-O] Frequency of N - O at topological distance 3 2D Atom Pairs4178 F03[N-S] Frequency of N - S at topological distance 3 2D Atom Pairs4179 F03[N-P] Frequency of N - P at topological distance 3 2D Atom Pairs4180 F03[N-F] Frequency of N - F at topological distance 3 2D Atom Pairs4181 F03[N-Cl] Frequency of N - Cl at topological distance 3 2D Atom Pairs4182 F03[N-Br] Frequency of N - Br at topological distance 3 2D Atom Pairs4183 F03[N-I] Frequency of N - I at topological distance 3 2D Atom Pairs4184 F03[N-B] Frequency of N - B at topological distance 3 2D Atom Pairs4185 F03[N-Si] Frequency of N - Si at topological distance 3 2D Atom Pairs4186 F03[N-X] Frequency of N - X at topological distance 3 2D Atom Pairs4187 F03[O-O] Frequency of O - O at topological distance 3 2D Atom Pairs4188 F03[O-S] Frequency of O - S at topological distance 3 2D Atom Pairs4189 F03[O-P] Frequency of O - P at topological distance 3 2D Atom Pairs4190 F03[O-F] Frequency of O - F at topological distance 3 2D Atom Pairs4191 F03[O-Cl] Frequency of O - Cl at topological distance 3 2D Atom Pairs4192 F03[O-Br] Frequency of O - Br at topological distance 3 2D Atom Pairs4193 F03[O-I] Frequency of O - I at topological distance 3 2D Atom Pairs4194 F03[O-B] Frequency of O - B at topological distance 3 2D Atom Pairs4195 F03[O-Si] Frequency of O - Si at topological distance 3 2D Atom Pairs4196 F03[O-X] Frequency of O - X at topological distance 3 2D Atom Pairs4197 F03[S-S] Frequency of S - S at topological distance 3 2D Atom Pairs4198 F03[S-P] Frequency of S - P at topological distance 3 2D Atom Pairs4199 F03[S-F] Frequency of S - F at topological distance 3 2D Atom Pairs4200 F03[S-Cl] Frequency of S - Cl at topological distance 3 2D Atom Pairs4201 F03[S-Br] Frequency of S - Br at topological distance 3 2D Atom Pairs4202 F03[S-I] Frequency of S - I at topological distance 3 2D Atom Pairs4203 F03[S-B] Frequency of S - B at topological distance 3 2D Atom Pairs4204 F03[S-Si] Frequency of S - Si at topological distance 3 2D Atom Pairs4205 F03[S-X] Frequency of S - X at topological distance 3 2D Atom Pairs4206 F03[P-P] Frequency of P - P at topological distance 3 2D Atom Pairs4207 F03[P-F] Frequency of P - F at topological distance 3 2D Atom Pairs4208 F03[P-Cl] Frequency of P - Cl at topological distance 3 2D Atom Pairs4209 F03[P-Br] Frequency of P - Br at topological distance 3 2D Atom Pairs4210 F03[P-I] Frequency of P - I at topological distance 3 2D Atom Pairs4211 F03[P-B] Frequency of P - B at topological distance 3 2D Atom Pairs4212 F03[P-Si] Frequency of P - Si at topological distance 3 2D Atom Pairs4213 F03[P-X] Frequency of P - X at topological distance 3 2D Atom Pairs4214 F03[F-F] Frequency of F - F at topological distance 3 2D Atom Pairs4215 F03[F-Cl] Frequency of F - Cl at topological distance 3 2D Atom Pairs4216 F03[F-Br] Frequency of F - Br at topological distance 3 2D Atom Pairs4217 F03[F-I] Frequency of F - I at topological distance 3 2D Atom Pairs4218 F03[F-B] Frequency of F - B at topological distance 3 2D Atom Pairs4219 F03[F-Si] Frequency of F - Si at topological distance 3 2D Atom Pairs4220 F03[F-X] Frequency of F - X at topological distance 3 2D Atom Pairs

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4221 F03[Cl-Cl] Frequency of Cl - Cl at topological distance 3 2D Atom Pairs4222 F03[Cl-Br] Frequency of Cl - Br at topological distance 3 2D Atom Pairs4223 F03[Cl-I] Frequency of Cl - I at topological distance 3 2D Atom Pairs4224 F03[Cl-B] Frequency of Cl - B at topological distance 3 2D Atom Pairs4225 F03[Cl-Si] Frequency of Cl - Si at topological distance 3 2D Atom Pairs4226 F03[Cl-X] Frequency of Cl - X at topological distance 3 2D Atom Pairs4227 F03[Br-Br] Frequency of Br - Br at topological distance 3 2D Atom Pairs4228 F03[Br-I] Frequency of Br - I at topological distance 3 2D Atom Pairs4229 F03[Br-B] Frequency of Br - B at topological distance 3 2D Atom Pairs4230 F03[Br-Si] Frequency of Br - Si at topological distance 3 2D Atom Pairs4231 F03[Br-X] Frequency of Br - X at topological distance 3 2D Atom Pairs4232 F03[I-I] Frequency of I - I at topological distance 3 2D Atom Pairs4233 F03[I-B] Frequency of I - B at topological distance 3 2D Atom Pairs4234 F03[I-Si] Frequency of I - Si at topological distance 3 2D Atom Pairs4235 F03[I-X] Frequency of I - X at topological distance 3 2D Atom Pairs4236 F03[B-B] Frequency of B - B at topological distance 3 2D Atom Pairs4237 F03[B-Si] Frequency of B - Si at topological distance 3 2D Atom Pairs4238 F03[B-X] Frequency of B - X at topological distance 3 2D Atom Pairs4239 F03[Si-Si] Frequency of Si - Si at topological distance 3 2D Atom Pairs4240 F03[Si-X] Frequency of Si - X at topological distance 3 2D Atom Pairs4241 F03[X-X] Frequency of X - X at topological distance 3 2D Atom Pairs4242 F04[C-C] Frequency of C - C at topological distance 4 2D Atom Pairs4243 F04[C-N] Frequency of C - N at topological distance 4 2D Atom Pairs4244 F04[C-O] Frequency of C - O at topological distance 4 2D Atom Pairs4245 F04[C-S] Frequency of C - S at topological distance 4 2D Atom Pairs4246 F04[C-P] Frequency of C - P at topological distance 4 2D Atom Pairs4247 F04[C-F] Frequency of C - F at topological distance 4 2D Atom Pairs4248 F04[C-Cl] Frequency of C - Cl at topological distance 4 2D Atom Pairs4249 F04[C-Br] Frequency of C - Br at topological distance 4 2D Atom Pairs4250 F04[C-I] Frequency of C - I at topological distance 4 2D Atom Pairs4251 F04[C-B] Frequency of C - B at topological distance 4 2D Atom Pairs4252 F04[C-Si] Frequency of C - Si at topological distance 4 2D Atom Pairs4253 F04[C-X] Frequency of C - X at topological distance 4 2D Atom Pairs4254 F04[N-N] Frequency of N - N at topological distance 4 2D Atom Pairs4255 F04[N-O] Frequency of N - O at topological distance 4 2D Atom Pairs4256 F04[N-S] Frequency of N - S at topological distance 4 2D Atom Pairs4257 F04[N-P] Frequency of N - P at topological distance 4 2D Atom Pairs4258 F04[N-F] Frequency of N - F at topological distance 4 2D Atom Pairs4259 F04[N-Cl] Frequency of N - Cl at topological distance 4 2D Atom Pairs4260 F04[N-Br] Frequency of N - Br at topological distance 4 2D Atom Pairs4261 F04[N-I] Frequency of N - I at topological distance 4 2D Atom Pairs4262 F04[N-B] Frequency of N - B at topological distance 4 2D Atom Pairs4263 F04[N-Si] Frequency of N - Si at topological distance 4 2D Atom Pairs4264 F04[N-X] Frequency of N - X at topological distance 4 2D Atom Pairs4265 F04[O-O] Frequency of O - O at topological distance 4 2D Atom Pairs4266 F04[O-S] Frequency of O - S at topological distance 4 2D Atom Pairs4267 F04[O-P] Frequency of O - P at topological distance 4 2D Atom Pairs4268 F04[O-F] Frequency of O - F at topological distance 4 2D Atom Pairs4269 F04[O-Cl] Frequency of O - Cl at topological distance 4 2D Atom Pairs4270 F04[O-Br] Frequency of O - Br at topological distance 4 2D Atom Pairs4271 F04[O-I] Frequency of O - I at topological distance 4 2D Atom Pairs4272 F04[O-B] Frequency of O - B at topological distance 4 2D Atom Pairs4273 F04[O-Si] Frequency of O - Si at topological distance 4 2D Atom Pairs4274 F04[O-X] Frequency of O - X at topological distance 4 2D Atom Pairs4275 F04[S-S] Frequency of S - S at topological distance 4 2D Atom Pairs4276 F04[S-P] Frequency of S - P at topological distance 4 2D Atom Pairs4277 F04[S-F] Frequency of S - F at topological distance 4 2D Atom Pairs4278 F04[S-Cl] Frequency of S - Cl at topological distance 4 2D Atom Pairs4279 F04[S-Br] Frequency of S - Br at topological distance 4 2D Atom Pairs4280 F04[S-I] Frequency of S - I at topological distance 4 2D Atom Pairs4281 F04[S-B] Frequency of S - B at topological distance 4 2D Atom Pairs4282 F04[S-Si] Frequency of S - Si at topological distance 4 2D Atom Pairs4283 F04[S-X] Frequency of S - X at topological distance 4 2D Atom Pairs4284 F04[P-P] Frequency of P - P at topological distance 4 2D Atom Pairs4285 F04[P-F] Frequency of P - F at topological distance 4 2D Atom Pairs4286 F04[P-Cl] Frequency of P - Cl at topological distance 4 2D Atom Pairs4287 F04[P-Br] Frequency of P - Br at topological distance 4 2D Atom Pairs4288 F04[P-I] Frequency of P - I at topological distance 4 2D Atom Pairs4289 F04[P-B] Frequency of P - B at topological distance 4 2D Atom Pairs4290 F04[P-Si] Frequency of P - Si at topological distance 4 2D Atom Pairs4291 F04[P-X] Frequency of P - X at topological distance 4 2D Atom Pairs4292 F04[F-F] Frequency of F - F at topological distance 4 2D Atom Pairs4293 F04[F-Cl] Frequency of F - Cl at topological distance 4 2D Atom Pairs4294 F04[F-Br] Frequency of F - Br at topological distance 4 2D Atom Pairs4295 F04[F-I] Frequency of F - I at topological distance 4 2D Atom Pairs4296 F04[F-B] Frequency of F - B at topological distance 4 2D Atom Pairs4297 F04[F-Si] Frequency of F - Si at topological distance 4 2D Atom Pairs4298 F04[F-X] Frequency of F - X at topological distance 4 2D Atom Pairs4299 F04[Cl-Cl] Frequency of Cl - Cl at topological distance 4 2D Atom Pairs4300 F04[Cl-Br] Frequency of Cl - Br at topological distance 4 2D Atom Pairs4301 F04[Cl-I] Frequency of Cl - I at topological distance 4 2D Atom Pairs4302 F04[Cl-B] Frequency of Cl - B at topological distance 4 2D Atom Pairs4303 F04[Cl-Si] Frequency of Cl - Si at topological distance 4 2D Atom Pairs4304 F04[Cl-X] Frequency of Cl - X at topological distance 4 2D Atom Pairs4305 F04[Br-Br] Frequency of Br - Br at topological distance 4 2D Atom Pairs4306 F04[Br-I] Frequency of Br - I at topological distance 4 2D Atom Pairs4307 F04[Br-B] Frequency of Br - B at topological distance 4 2D Atom Pairs4308 F04[Br-Si] Frequency of Br - Si at topological distance 4 2D Atom Pairs4309 F04[Br-X] Frequency of Br - X at topological distance 4 2D Atom Pairs4310 F04[I-I] Frequency of I - I at topological distance 4 2D Atom Pairs4311 F04[I-B] Frequency of I - B at topological distance 4 2D Atom Pairs4312 F04[I-Si] Frequency of I - Si at topological distance 4 2D Atom Pairs4313 F04[I-X] Frequency of I - X at topological distance 4 2D Atom Pairs4314 F04[B-B] Frequency of B - B at topological distance 4 2D Atom Pairs4315 F04[B-Si] Frequency of B - Si at topological distance 4 2D Atom Pairs4316 F04[B-X] Frequency of B - X at topological distance 4 2D Atom Pairs

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4317 F04[Si-Si] Frequency of Si - Si at topological distance 4 2D Atom Pairs4318 F04[Si-X] Frequency of Si - X at topological distance 4 2D Atom Pairs4319 F04[X-X] Frequency of X - X at topological distance 4 2D Atom Pairs4320 F05[C-C] Frequency of C - C at topological distance 5 2D Atom Pairs4321 F05[C-N] Frequency of C - N at topological distance 5 2D Atom Pairs4322 F05[C-O] Frequency of C - O at topological distance 5 2D Atom Pairs4323 F05[C-S] Frequency of C - S at topological distance 5 2D Atom Pairs4324 F05[C-P] Frequency of C - P at topological distance 5 2D Atom Pairs4325 F05[C-F] Frequency of C - F at topological distance 5 2D Atom Pairs4326 F05[C-Cl] Frequency of C - Cl at topological distance 5 2D Atom Pairs4327 F05[C-Br] Frequency of C - Br at topological distance 5 2D Atom Pairs4328 F05[C-I] Frequency of C - I at topological distance 5 2D Atom Pairs4329 F05[C-B] Frequency of C - B at topological distance 5 2D Atom Pairs4330 F05[C-Si] Frequency of C - Si at topological distance 5 2D Atom Pairs4331 F05[C-X] Frequency of C - X at topological distance 5 2D Atom Pairs4332 F05[N-N] Frequency of N - N at topological distance 5 2D Atom Pairs4333 F05[N-O] Frequency of N - O at topological distance 5 2D Atom Pairs4334 F05[N-S] Frequency of N - S at topological distance 5 2D Atom Pairs4335 F05[N-P] Frequency of N - P at topological distance 5 2D Atom Pairs4336 F05[N-F] Frequency of N - F at topological distance 5 2D Atom Pairs4337 F05[N-Cl] Frequency of N - Cl at topological distance 5 2D Atom Pairs4338 F05[N-Br] Frequency of N - Br at topological distance 5 2D Atom Pairs4339 F05[N-I] Frequency of N - I at topological distance 5 2D Atom Pairs4340 F05[N-B] Frequency of N - B at topological distance 5 2D Atom Pairs4341 F05[N-Si] Frequency of N - Si at topological distance 5 2D Atom Pairs4342 F05[N-X] Frequency of N - X at topological distance 5 2D Atom Pairs4343 F05[O-O] Frequency of O - O at topological distance 5 2D Atom Pairs4344 F05[O-S] Frequency of O - S at topological distance 5 2D Atom Pairs4345 F05[O-P] Frequency of O - P at topological distance 5 2D Atom Pairs4346 F05[O-F] Frequency of O - F at topological distance 5 2D Atom Pairs4347 F05[O-Cl] Frequency of O - Cl at topological distance 5 2D Atom Pairs4348 F05[O-Br] Frequency of O - Br at topological distance 5 2D Atom Pairs4349 F05[O-I] Frequency of O - I at topological distance 5 2D Atom Pairs4350 F05[O-B] Frequency of O - B at topological distance 5 2D Atom Pairs4351 F05[O-Si] Frequency of O - Si at topological distance 5 2D Atom Pairs4352 F05[O-X] Frequency of O - X at topological distance 5 2D Atom Pairs4353 F05[S-S] Frequency of S - S at topological distance 5 2D Atom Pairs4354 F05[S-P] Frequency of S - P at topological distance 5 2D Atom Pairs4355 F05[S-F] Frequency of S - F at topological distance 5 2D Atom Pairs4356 F05[S-Cl] Frequency of S - Cl at topological distance 5 2D Atom Pairs4357 F05[S-Br] Frequency of S - Br at topological distance 5 2D Atom Pairs4358 F05[S-I] Frequency of S - I at topological distance 5 2D Atom Pairs4359 F05[S-B] Frequency of S - B at topological distance 5 2D Atom Pairs4360 F05[S-Si] Frequency of S - Si at topological distance 5 2D Atom Pairs4361 F05[S-X] Frequency of S - X at topological distance 5 2D Atom Pairs4362 F05[P-P] Frequency of P - P at topological distance 5 2D Atom Pairs4363 F05[P-F] Frequency of P - F at topological distance 5 2D Atom Pairs4364 F05[P-Cl] Frequency of P - Cl at topological distance 5 2D Atom Pairs4365 F05[P-Br] Frequency of P - Br at topological distance 5 2D Atom Pairs4366 F05[P-I] Frequency of P - I at topological distance 5 2D Atom Pairs4367 F05[P-B] Frequency of P - B at topological distance 5 2D Atom Pairs4368 F05[P-Si] Frequency of P - Si at topological distance 5 2D Atom Pairs4369 F05[P-X] Frequency of P - X at topological distance 5 2D Atom Pairs4370 F05[F-F] Frequency of F - F at topological distance 5 2D Atom Pairs4371 F05[F-Cl] Frequency of F - Cl at topological distance 5 2D Atom Pairs4372 F05[F-Br] Frequency of F - Br at topological distance 5 2D Atom Pairs4373 F05[F-I] Frequency of F - I at topological distance 5 2D Atom Pairs4374 F05[F-B] Frequency of F - B at topological distance 5 2D Atom Pairs4375 F05[F-Si] Frequency of F - Si at topological distance 5 2D Atom Pairs4376 F05[F-X] Frequency of F - X at topological distance 5 2D Atom Pairs4377 F05[Cl-Cl] Frequency of Cl - Cl at topological distance 5 2D Atom Pairs4378 F05[Cl-Br] Frequency of Cl - Br at topological distance 5 2D Atom Pairs4379 F05[Cl-I] Frequency of Cl - I at topological distance 5 2D Atom Pairs4380 F05[Cl-B] Frequency of Cl - B at topological distance 5 2D Atom Pairs4381 F05[Cl-Si] Frequency of Cl - Si at topological distance 5 2D Atom Pairs4382 F05[Cl-X] Frequency of Cl - X at topological distance 5 2D Atom Pairs4383 F05[Br-Br] Frequency of Br - Br at topological distance 5 2D Atom Pairs4384 F05[Br-I] Frequency of Br - I at topological distance 5 2D Atom Pairs4385 F05[Br-B] Frequency of Br - B at topological distance 5 2D Atom Pairs4386 F05[Br-Si] Frequency of Br - Si at topological distance 5 2D Atom Pairs4387 F05[Br-X] Frequency of Br - X at topological distance 5 2D Atom Pairs4388 F05[I-I] Frequency of I - I at topological distance 5 2D Atom Pairs4389 F05[I-B] Frequency of I - B at topological distance 5 2D Atom Pairs4390 F05[I-Si] Frequency of I - Si at topological distance 5 2D Atom Pairs4391 F05[I-X] Frequency of I - X at topological distance 5 2D Atom Pairs4392 F05[B-B] Frequency of B - B at topological distance 5 2D Atom Pairs4393 F05[B-Si] Frequency of B - Si at topological distance 5 2D Atom Pairs4394 F05[B-X] Frequency of B - X at topological distance 5 2D Atom Pairs4395 F05[Si-Si] Frequency of Si - Si at topological distance 5 2D Atom Pairs4396 F05[Si-X] Frequency of Si - X at topological distance 5 2D Atom Pairs4397 F05[X-X] Frequency of X - X at topological distance 5 2D Atom Pairs4398 F06[C-C] Frequency of C - C at topological distance 6 2D Atom Pairs4399 F06[C-N] Frequency of C - N at topological distance 6 2D Atom Pairs4400 F06[C-O] Frequency of C - O at topological distance 6 2D Atom Pairs4401 F06[C-S] Frequency of C - S at topological distance 6 2D Atom Pairs4402 F06[C-P] Frequency of C - P at topological distance 6 2D Atom Pairs4403 F06[C-F] Frequency of C - F at topological distance 6 2D Atom Pairs4404 F06[C-Cl] Frequency of C - Cl at topological distance 6 2D Atom Pairs4405 F06[C-Br] Frequency of C - Br at topological distance 6 2D Atom Pairs4406 F06[C-I] Frequency of C - I at topological distance 6 2D Atom Pairs4407 F06[C-B] Frequency of C - B at topological distance 6 2D Atom Pairs4408 F06[C-Si] Frequency of C - Si at topological distance 6 2D Atom Pairs4409 F06[C-X] Frequency of C - X at topological distance 6 2D Atom Pairs4410 F06[N-N] Frequency of N - N at topological distance 6 2D Atom Pairs4411 F06[N-O] Frequency of N - O at topological distance 6 2D Atom Pairs4412 F06[N-S] Frequency of N - S at topological distance 6 2D Atom Pairs

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4413 F06[N-P] Frequency of N - P at topological distance 6 2D Atom Pairs4414 F06[N-F] Frequency of N - F at topological distance 6 2D Atom Pairs4415 F06[N-Cl] Frequency of N - Cl at topological distance 6 2D Atom Pairs4416 F06[N-Br] Frequency of N - Br at topological distance 6 2D Atom Pairs4417 F06[N-I] Frequency of N - I at topological distance 6 2D Atom Pairs4418 F06[N-B] Frequency of N - B at topological distance 6 2D Atom Pairs4419 F06[N-Si] Frequency of N - Si at topological distance 6 2D Atom Pairs4420 F06[N-X] Frequency of N - X at topological distance 6 2D Atom Pairs4421 F06[O-O] Frequency of O - O at topological distance 6 2D Atom Pairs4422 F06[O-S] Frequency of O - S at topological distance 6 2D Atom Pairs4423 F06[O-P] Frequency of O - P at topological distance 6 2D Atom Pairs4424 F06[O-F] Frequency of O - F at topological distance 6 2D Atom Pairs4425 F06[O-Cl] Frequency of O - Cl at topological distance 6 2D Atom Pairs4426 F06[O-Br] Frequency of O - Br at topological distance 6 2D Atom Pairs4427 F06[O-I] Frequency of O - I at topological distance 6 2D Atom Pairs4428 F06[O-B] Frequency of O - B at topological distance 6 2D Atom Pairs4429 F06[O-Si] Frequency of O - Si at topological distance 6 2D Atom Pairs4430 F06[O-X] Frequency of O - X at topological distance 6 2D Atom Pairs4431 F06[S-S] Frequency of S - S at topological distance 6 2D Atom Pairs4432 F06[S-P] Frequency of S - P at topological distance 6 2D Atom Pairs4433 F06[S-F] Frequency of S - F at topological distance 6 2D Atom Pairs4434 F06[S-Cl] Frequency of S - Cl at topological distance 6 2D Atom Pairs4435 F06[S-Br] Frequency of S - Br at topological distance 6 2D Atom Pairs4436 F06[S-I] Frequency of S - I at topological distance 6 2D Atom Pairs4437 F06[S-B] Frequency of S - B at topological distance 6 2D Atom Pairs4438 F06[S-Si] Frequency of S - Si at topological distance 6 2D Atom Pairs4439 F06[S-X] Frequency of S - X at topological distance 6 2D Atom Pairs4440 F06[P-P] Frequency of P - P at topological distance 6 2D Atom Pairs4441 F06[P-F] Frequency of P - F at topological distance 6 2D Atom Pairs4442 F06[P-Cl] Frequency of P - Cl at topological distance 6 2D Atom Pairs4443 F06[P-Br] Frequency of P - Br at topological distance 6 2D Atom Pairs4444 F06[P-I] Frequency of P - I at topological distance 6 2D Atom Pairs4445 F06[P-B] Frequency of P - B at topological distance 6 2D Atom Pairs4446 F06[P-Si] Frequency of P - Si at topological distance 6 2D Atom Pairs4447 F06[P-X] Frequency of P - X at topological distance 6 2D Atom Pairs4448 F06[F-F] Frequency of F - F at topological distance 6 2D Atom Pairs4449 F06[F-Cl] Frequency of F - Cl at topological distance 6 2D Atom Pairs4450 F06[F-Br] Frequency of F - Br at topological distance 6 2D Atom Pairs4451 F06[F-I] Frequency of F - I at topological distance 6 2D Atom Pairs4452 F06[F-B] Frequency of F - B at topological distance 6 2D Atom Pairs4453 F06[F-Si] Frequency of F - Si at topological distance 6 2D Atom Pairs4454 F06[F-X] Frequency of F - X at topological distance 6 2D Atom Pairs4455 F06[Cl-Cl] Frequency of Cl - Cl at topological distance 6 2D Atom Pairs4456 F06[Cl-Br] Frequency of Cl - Br at topological distance 6 2D Atom Pairs4457 F06[Cl-I] Frequency of Cl - I at topological distance 6 2D Atom Pairs4458 F06[Cl-B] Frequency of Cl - B at topological distance 6 2D Atom Pairs4459 F06[Cl-Si] Frequency of Cl - Si at topological distance 6 2D Atom Pairs4460 F06[Cl-X] Frequency of Cl - X at topological distance 6 2D Atom Pairs4461 F06[Br-Br] Frequency of Br - Br at topological distance 6 2D Atom Pairs4462 F06[Br-I] Frequency of Br - I at topological distance 6 2D Atom Pairs4463 F06[Br-B] Frequency of Br - B at topological distance 6 2D Atom Pairs4464 F06[Br-Si] Frequency of Br - Si at topological distance 6 2D Atom Pairs4465 F06[Br-X] Frequency of Br - X at topological distance 6 2D Atom Pairs4466 F06[I-I] Frequency of I - I at topological distance 6 2D Atom Pairs4467 F06[I-B] Frequency of I - B at topological distance 6 2D Atom Pairs4468 F06[I-Si] Frequency of I - Si at topological distance 6 2D Atom Pairs4469 F06[I-X] Frequency of I - X at topological distance 6 2D Atom Pairs4470 F06[B-B] Frequency of B - B at topological distance 6 2D Atom Pairs4471 F06[B-Si] Frequency of B - Si at topological distance 6 2D Atom Pairs4472 F06[B-X] Frequency of B - X at topological distance 6 2D Atom Pairs4473 F06[Si-Si] Frequency of Si - Si at topological distance 6 2D Atom Pairs4474 F06[Si-X] Frequency of Si - X at topological distance 6 2D Atom Pairs4475 F06[X-X] Frequency of X - X at topological distance 6 2D Atom Pairs4476 F07[C-C] Frequency of C - C at topological distance 7 2D Atom Pairs4477 F07[C-N] Frequency of C - N at topological distance 7 2D Atom Pairs4478 F07[C-O] Frequency of C - O at topological distance 7 2D Atom Pairs4479 F07[C-S] Frequency of C - S at topological distance 7 2D Atom Pairs4480 F07[C-P] Frequency of C - P at topological distance 7 2D Atom Pairs4481 F07[C-F] Frequency of C - F at topological distance 7 2D Atom Pairs4482 F07[C-Cl] Frequency of C - Cl at topological distance 7 2D Atom Pairs4483 F07[C-Br] Frequency of C - Br at topological distance 7 2D Atom Pairs4484 F07[C-I] Frequency of C - I at topological distance 7 2D Atom Pairs4485 F07[C-B] Frequency of C - B at topological distance 7 2D Atom Pairs4486 F07[C-Si] Frequency of C - Si at topological distance 7 2D Atom Pairs4487 F07[C-X] Frequency of C - X at topological distance 7 2D Atom Pairs4488 F07[N-N] Frequency of N - N at topological distance 7 2D Atom Pairs4489 F07[N-O] Frequency of N - O at topological distance 7 2D Atom Pairs4490 F07[N-S] Frequency of N - S at topological distance 7 2D Atom Pairs4491 F07[N-P] Frequency of N - P at topological distance 7 2D Atom Pairs4492 F07[N-F] Frequency of N - F at topological distance 7 2D Atom Pairs4493 F07[N-Cl] Frequency of N - Cl at topological distance 7 2D Atom Pairs4494 F07[N-Br] Frequency of N - Br at topological distance 7 2D Atom Pairs4495 F07[N-I] Frequency of N - I at topological distance 7 2D Atom Pairs4496 F07[N-B] Frequency of N - B at topological distance 7 2D Atom Pairs4497 F07[N-Si] Frequency of N - Si at topological distance 7 2D Atom Pairs4498 F07[N-X] Frequency of N - X at topological distance 7 2D Atom Pairs4499 F07[O-O] Frequency of O - O at topological distance 7 2D Atom Pairs4500 F07[O-S] Frequency of O - S at topological distance 7 2D Atom Pairs4501 F07[O-P] Frequency of O - P at topological distance 7 2D Atom Pairs4502 F07[O-F] Frequency of O - F at topological distance 7 2D Atom Pairs4503 F07[O-Cl] Frequency of O - Cl at topological distance 7 2D Atom Pairs4504 F07[O-Br] Frequency of O - Br at topological distance 7 2D Atom Pairs4505 F07[O-I] Frequency of O - I at topological distance 7 2D Atom Pairs4506 F07[O-B] Frequency of O - B at topological distance 7 2D Atom Pairs4507 F07[O-Si] Frequency of O - Si at topological distance 7 2D Atom Pairs4508 F07[O-X] Frequency of O - X at topological distance 7 2D Atom Pairs

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4509 F07[S-S] Frequency of S - S at topological distance 7 2D Atom Pairs4510 F07[S-P] Frequency of S - P at topological distance 7 2D Atom Pairs4511 F07[S-F] Frequency of S - F at topological distance 7 2D Atom Pairs4512 F07[S-Cl] Frequency of S - Cl at topological distance 7 2D Atom Pairs4513 F07[S-Br] Frequency of S - Br at topological distance 7 2D Atom Pairs4514 F07[S-I] Frequency of S - I at topological distance 7 2D Atom Pairs4515 F07[S-B] Frequency of S - B at topological distance 7 2D Atom Pairs4516 F07[S-Si] Frequency of S - Si at topological distance 7 2D Atom Pairs4517 F07[S-X] Frequency of S - X at topological distance 7 2D Atom Pairs4518 F07[P-P] Frequency of P - P at topological distance 7 2D Atom Pairs4519 F07[P-F] Frequency of P - F at topological distance 7 2D Atom Pairs4520 F07[P-Cl] Frequency of P - Cl at topological distance 7 2D Atom Pairs4521 F07[P-Br] Frequency of P - Br at topological distance 7 2D Atom Pairs4522 F07[P-I] Frequency of P - I at topological distance 7 2D Atom Pairs4523 F07[P-B] Frequency of P - B at topological distance 7 2D Atom Pairs4524 F07[P-Si] Frequency of P - Si at topological distance 7 2D Atom Pairs4525 F07[P-X] Frequency of P - X at topological distance 7 2D Atom Pairs4526 F07[F-F] Frequency of F - F at topological distance 7 2D Atom Pairs4527 F07[F-Cl] Frequency of F - Cl at topological distance 7 2D Atom Pairs4528 F07[F-Br] Frequency of F - Br at topological distance 7 2D Atom Pairs4529 F07[F-I] Frequency of F - I at topological distance 7 2D Atom Pairs4530 F07[F-B] Frequency of F - B at topological distance 7 2D Atom Pairs4531 F07[F-Si] Frequency of F - Si at topological distance 7 2D Atom Pairs4532 F07[F-X] Frequency of F - X at topological distance 7 2D Atom Pairs4533 F07[Cl-Cl] Frequency of Cl - Cl at topological distance 7 2D Atom Pairs4534 F07[Cl-Br] Frequency of Cl - Br at topological distance 7 2D Atom Pairs4535 F07[Cl-I] Frequency of Cl - I at topological distance 7 2D Atom Pairs4536 F07[Cl-B] Frequency of Cl - B at topological distance 7 2D Atom Pairs4537 F07[Cl-Si] Frequency of Cl - Si at topological distance 7 2D Atom Pairs4538 F07[Cl-X] Frequency of Cl - X at topological distance 7 2D Atom Pairs4539 F07[Br-Br] Frequency of Br - Br at topological distance 7 2D Atom Pairs4540 F07[Br-I] Frequency of Br - I at topological distance 7 2D Atom Pairs4541 F07[Br-B] Frequency of Br - B at topological distance 7 2D Atom Pairs4542 F07[Br-Si] Frequency of Br - Si at topological distance 7 2D Atom Pairs4543 F07[Br-X] Frequency of Br - X at topological distance 7 2D Atom Pairs4544 F07[I-I] Frequency of I - I at topological distance 7 2D Atom Pairs4545 F07[I-B] Frequency of I - B at topological distance 7 2D Atom Pairs4546 F07[I-Si] Frequency of I - Si at topological distance 7 2D Atom Pairs4547 F07[I-X] Frequency of I - X at topological distance 7 2D Atom Pairs4548 F07[B-B] Frequency of B - B at topological distance 7 2D Atom Pairs4549 F07[B-Si] Frequency of B - Si at topological distance 7 2D Atom Pairs4550 F07[B-X] Frequency of B - X at topological distance 7 2D Atom Pairs4551 F07[Si-Si] Frequency of Si - Si at topological distance 7 2D Atom Pairs4552 F07[Si-X] Frequency of Si - X at topological distance 7 2D Atom Pairs4553 F07[X-X] Frequency of X - X at topological distance 7 2D Atom Pairs4554 F08[C-C] Frequency of C - C at topological distance 8 2D Atom Pairs4555 F08[C-N] Frequency of C - N at topological distance 8 2D Atom Pairs4556 F08[C-O] Frequency of C - O at topological distance 8 2D Atom Pairs4557 F08[C-S] Frequency of C - S at topological distance 8 2D Atom Pairs4558 F08[C-P] Frequency of C - P at topological distance 8 2D Atom Pairs4559 F08[C-F] Frequency of C - F at topological distance 8 2D Atom Pairs4560 F08[C-Cl] Frequency of C - Cl at topological distance 8 2D Atom Pairs4561 F08[C-Br] Frequency of C - Br at topological distance 8 2D Atom Pairs4562 F08[C-I] Frequency of C - I at topological distance 8 2D Atom Pairs4563 F08[C-B] Frequency of C - B at topological distance 8 2D Atom Pairs4564 F08[C-Si] Frequency of C - Si at topological distance 8 2D Atom Pairs4565 F08[C-X] Frequency of C - X at topological distance 8 2D Atom Pairs4566 F08[N-N] Frequency of N - N at topological distance 8 2D Atom Pairs4567 F08[N-O] Frequency of N - O at topological distance 8 2D Atom Pairs4568 F08[N-S] Frequency of N - S at topological distance 8 2D Atom Pairs4569 F08[N-P] Frequency of N - P at topological distance 8 2D Atom Pairs4570 F08[N-F] Frequency of N - F at topological distance 8 2D Atom Pairs4571 F08[N-Cl] Frequency of N - Cl at topological distance 8 2D Atom Pairs4572 F08[N-Br] Frequency of N - Br at topological distance 8 2D Atom Pairs4573 F08[N-I] Frequency of N - I at topological distance 8 2D Atom Pairs4574 F08[N-B] Frequency of N - B at topological distance 8 2D Atom Pairs4575 F08[N-Si] Frequency of N - Si at topological distance 8 2D Atom Pairs4576 F08[N-X] Frequency of N - X at topological distance 8 2D Atom Pairs4577 F08[O-O] Frequency of O - O at topological distance 8 2D Atom Pairs4578 F08[O-S] Frequency of O - S at topological distance 8 2D Atom Pairs4579 F08[O-P] Frequency of O - P at topological distance 8 2D Atom Pairs4580 F08[O-F] Frequency of O - F at topological distance 8 2D Atom Pairs4581 F08[O-Cl] Frequency of O - Cl at topological distance 8 2D Atom Pairs4582 F08[O-Br] Frequency of O - Br at topological distance 8 2D Atom Pairs4583 F08[O-I] Frequency of O - I at topological distance 8 2D Atom Pairs4584 F08[O-B] Frequency of O - B at topological distance 8 2D Atom Pairs4585 F08[O-Si] Frequency of O - Si at topological distance 8 2D Atom Pairs4586 F08[O-X] Frequency of O - X at topological distance 8 2D Atom Pairs4587 F08[S-S] Frequency of S - S at topological distance 8 2D Atom Pairs4588 F08[S-P] Frequency of S - P at topological distance 8 2D Atom Pairs4589 F08[S-F] Frequency of S - F at topological distance 8 2D Atom Pairs4590 F08[S-Cl] Frequency of S - Cl at topological distance 8 2D Atom Pairs4591 F08[S-Br] Frequency of S - Br at topological distance 8 2D Atom Pairs4592 F08[S-I] Frequency of S - I at topological distance 8 2D Atom Pairs4593 F08[S-B] Frequency of S - B at topological distance 8 2D Atom Pairs4594 F08[S-Si] Frequency of S - Si at topological distance 8 2D Atom Pairs4595 F08[S-X] Frequency of S - X at topological distance 8 2D Atom Pairs4596 F08[P-P] Frequency of P - P at topological distance 8 2D Atom Pairs4597 F08[P-F] Frequency of P - F at topological distance 8 2D Atom Pairs4598 F08[P-Cl] Frequency of P - Cl at topological distance 8 2D Atom Pairs4599 F08[P-Br] Frequency of P - Br at topological distance 8 2D Atom Pairs4600 F08[P-I] Frequency of P - I at topological distance 8 2D Atom Pairs4601 F08[P-B] Frequency of P - B at topological distance 8 2D Atom Pairs4602 F08[P-Si] Frequency of P - Si at topological distance 8 2D Atom Pairs4603 F08[P-X] Frequency of P - X at topological distance 8 2D Atom Pairs4604 F08[F-F] Frequency of F - F at topological distance 8 2D Atom Pairs

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4605 F08[F-Cl] Frequency of F - Cl at topological distance 8 2D Atom Pairs4606 F08[F-Br] Frequency of F - Br at topological distance 8 2D Atom Pairs4607 F08[F-I] Frequency of F - I at topological distance 8 2D Atom Pairs4608 F08[F-B] Frequency of F - B at topological distance 8 2D Atom Pairs4609 F08[F-Si] Frequency of F - Si at topological distance 8 2D Atom Pairs4610 F08[F-X] Frequency of F - X at topological distance 8 2D Atom Pairs4611 F08[Cl-Cl] Frequency of Cl - Cl at topological distance 8 2D Atom Pairs4612 F08[Cl-Br] Frequency of Cl - Br at topological distance 8 2D Atom Pairs4613 F08[Cl-I] Frequency of Cl - I at topological distance 8 2D Atom Pairs4614 F08[Cl-B] Frequency of Cl - B at topological distance 8 2D Atom Pairs4615 F08[Cl-Si] Frequency of Cl - Si at topological distance 8 2D Atom Pairs4616 F08[Cl-X] Frequency of Cl - X at topological distance 8 2D Atom Pairs4617 F08[Br-Br] Frequency of Br - Br at topological distance 8 2D Atom Pairs4618 F08[Br-I] Frequency of Br - I at topological distance 8 2D Atom Pairs4619 F08[Br-B] Frequency of Br - B at topological distance 8 2D Atom Pairs4620 F08[Br-Si] Frequency of Br - Si at topological distance 8 2D Atom Pairs4621 F08[Br-X] Frequency of Br - X at topological distance 8 2D Atom Pairs4622 F08[I-I] Frequency of I - I at topological distance 8 2D Atom Pairs4623 F08[I-B] Frequency of I - B at topological distance 8 2D Atom Pairs4624 F08[I-Si] Frequency of I - Si at topological distance 8 2D Atom Pairs4625 F08[I-X] Frequency of I - X at topological distance 8 2D Atom Pairs4626 F08[B-B] Frequency of B - B at topological distance 8 2D Atom Pairs4627 F08[B-Si] Frequency of B - Si at topological distance 8 2D Atom Pairs4628 F08[B-X] Frequency of B - X at topological distance 8 2D Atom Pairs4629 F08[Si-Si] Frequency of Si - Si at topological distance 8 2D Atom Pairs4630 F08[Si-X] Frequency of Si - X at topological distance 8 2D Atom Pairs4631 F08[X-X] Frequency of X - X at topological distance 8 2D Atom Pairs4632 F09[C-C] Frequency of C - C at topological distance 9 2D Atom Pairs4633 F09[C-N] Frequency of C - N at topological distance 9 2D Atom Pairs4634 F09[C-O] Frequency of C - O at topological distance 9 2D Atom Pairs4635 F09[C-S] Frequency of C - S at topological distance 9 2D Atom Pairs4636 F09[C-P] Frequency of C - P at topological distance 9 2D Atom Pairs4637 F09[C-F] Frequency of C - F at topological distance 9 2D Atom Pairs4638 F09[C-Cl] Frequency of C - Cl at topological distance 9 2D Atom Pairs4639 F09[C-Br] Frequency of C - Br at topological distance 9 2D Atom Pairs4640 F09[C-I] Frequency of C - I at topological distance 9 2D Atom Pairs4641 F09[C-B] Frequency of C - B at topological distance 9 2D Atom Pairs4642 F09[C-Si] Frequency of C - Si at topological distance 9 2D Atom Pairs4643 F09[C-X] Frequency of C - X at topological distance 9 2D Atom Pairs4644 F09[N-N] Frequency of N - N at topological distance 9 2D Atom Pairs4645 F09[N-O] Frequency of N - O at topological distance 9 2D Atom Pairs4646 F09[N-S] Frequency of N - S at topological distance 9 2D Atom Pairs4647 F09[N-P] Frequency of N - P at topological distance 9 2D Atom Pairs4648 F09[N-F] Frequency of N - F at topological distance 9 2D Atom Pairs4649 F09[N-Cl] Frequency of N - Cl at topological distance 9 2D Atom Pairs4650 F09[N-Br] Frequency of N - Br at topological distance 9 2D Atom Pairs4651 F09[N-I] Frequency of N - I at topological distance 9 2D Atom Pairs4652 F09[N-B] Frequency of N - B at topological distance 9 2D Atom Pairs4653 F09[N-Si] Frequency of N - Si at topological distance 9 2D Atom Pairs4654 F09[N-X] Frequency of N - X at topological distance 9 2D Atom Pairs4655 F09[O-O] Frequency of O - O at topological distance 9 2D Atom Pairs4656 F09[O-S] Frequency of O - S at topological distance 9 2D Atom Pairs4657 F09[O-P] Frequency of O - P at topological distance 9 2D Atom Pairs4658 F09[O-F] Frequency of O - F at topological distance 9 2D Atom Pairs4659 F09[O-Cl] Frequency of O - Cl at topological distance 9 2D Atom Pairs4660 F09[O-Br] Frequency of O - Br at topological distance 9 2D Atom Pairs4661 F09[O-I] Frequency of O - I at topological distance 9 2D Atom Pairs4662 F09[O-B] Frequency of O - B at topological distance 9 2D Atom Pairs4663 F09[O-Si] Frequency of O - Si at topological distance 9 2D Atom Pairs4664 F09[O-X] Frequency of O - X at topological distance 9 2D Atom Pairs4665 F09[S-S] Frequency of S - S at topological distance 9 2D Atom Pairs4666 F09[S-P] Frequency of S - P at topological distance 9 2D Atom Pairs4667 F09[S-F] Frequency of S - F at topological distance 9 2D Atom Pairs4668 F09[S-Cl] Frequency of S - Cl at topological distance 9 2D Atom Pairs4669 F09[S-Br] Frequency of S - Br at topological distance 9 2D Atom Pairs4670 F09[S-I] Frequency of S - I at topological distance 9 2D Atom Pairs4671 F09[S-B] Frequency of S - B at topological distance 9 2D Atom Pairs4672 F09[S-Si] Frequency of S - Si at topological distance 9 2D Atom Pairs4673 F09[S-X] Frequency of S - X at topological distance 9 2D Atom Pairs4674 F09[P-P] Frequency of P - P at topological distance 9 2D Atom Pairs4675 F09[P-F] Frequency of P - F at topological distance 9 2D Atom Pairs4676 F09[P-Cl] Frequency of P - Cl at topological distance 9 2D Atom Pairs4677 F09[P-Br] Frequency of P - Br at topological distance 9 2D Atom Pairs4678 F09[P-I] Frequency of P - I at topological distance 9 2D Atom Pairs4679 F09[P-B] Frequency of P - B at topological distance 9 2D Atom Pairs4680 F09[P-Si] Frequency of P - Si at topological distance 9 2D Atom Pairs4681 F09[P-X] Frequency of P - X at topological distance 9 2D Atom Pairs4682 F09[F-F] Frequency of F - F at topological distance 9 2D Atom Pairs4683 F09[F-Cl] Frequency of F - Cl at topological distance 9 2D Atom Pairs4684 F09[F-Br] Frequency of F - Br at topological distance 9 2D Atom Pairs4685 F09[F-I] Frequency of F - I at topological distance 9 2D Atom Pairs4686 F09[F-B] Frequency of F - B at topological distance 9 2D Atom Pairs4687 F09[F-Si] Frequency of F - Si at topological distance 9 2D Atom Pairs4688 F09[F-X] Frequency of F - X at topological distance 9 2D Atom Pairs4689 F09[Cl-Cl] Frequency of Cl - Cl at topological distance 9 2D Atom Pairs4690 F09[Cl-Br] Frequency of Cl - Br at topological distance 9 2D Atom Pairs4691 F09[Cl-I] Frequency of Cl - I at topological distance 9 2D Atom Pairs4692 F09[Cl-B] Frequency of Cl - B at topological distance 9 2D Atom Pairs4693 F09[Cl-Si] Frequency of Cl - Si at topological distance 9 2D Atom Pairs4694 F09[Cl-X] Frequency of Cl - X at topological distance 9 2D Atom Pairs4695 F09[Br-Br] Frequency of Br - Br at topological distance 9 2D Atom Pairs4696 F09[Br-I] Frequency of Br - I at topological distance 9 2D Atom Pairs4697 F09[Br-B] Frequency of Br - B at topological distance 9 2D Atom Pairs4698 F09[Br-Si] Frequency of Br - Si at topological distance 9 2D Atom Pairs4699 F09[Br-X] Frequency of Br - X at topological distance 9 2D Atom Pairs4700 F09[I-I] Frequency of I - I at topological distance 9 2D Atom Pairs

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4701 F09[I-B] Frequency of I - B at topological distance 9 2D Atom Pairs4702 F09[I-Si] Frequency of I - Si at topological distance 9 2D Atom Pairs4703 F09[I-X] Frequency of I - X at topological distance 9 2D Atom Pairs4704 F09[B-B] Frequency of B - B at topological distance 9 2D Atom Pairs4705 F09[B-Si] Frequency of B - Si at topological distance 9 2D Atom Pairs4706 F09[B-X] Frequency of B - X at topological distance 9 2D Atom Pairs4707 F09[Si-Si] Frequency of Si - Si at topological distance 9 2D Atom Pairs4708 F09[Si-X] Frequency of Si - X at topological distance 9 2D Atom Pairs4709 F09[X-X] Frequency of X - X at topological distance 9 2D Atom Pairs4710 F10[C-C] Frequency of C - C at topological distance 10 2D Atom Pairs4711 F10[C-N] Frequency of C - N at topological distance 10 2D Atom Pairs4712 F10[C-O] Frequency of C - O at topological distance 10 2D Atom Pairs4713 F10[C-S] Frequency of C - S at topological distance 10 2D Atom Pairs4714 F10[C-P] Frequency of C - P at topological distance 10 2D Atom Pairs4715 F10[C-F] Frequency of C - F at topological distance 10 2D Atom Pairs4716 F10[C-Cl] Frequency of C - Cl at topological distance 10 2D Atom Pairs4717 F10[C-Br] Frequency of C - Br at topological distance 10 2D Atom Pairs4718 F10[C-I] Frequency of C - I at topological distance 10 2D Atom Pairs4719 F10[C-B] Frequency of C - B at topological distance 10 2D Atom Pairs4720 F10[C-Si] Frequency of C - Si at topological distance 10 2D Atom Pairs4721 F10[C-X] Frequency of C - X at topological distance 10 2D Atom Pairs4722 F10[N-N] Frequency of N - N at topological distance 10 2D Atom Pairs4723 F10[N-O] Frequency of N - O at topological distance 10 2D Atom Pairs4724 F10[N-S] Frequency of N - S at topological distance 10 2D Atom Pairs4725 F10[N-P] Frequency of N - P at topological distance 10 2D Atom Pairs4726 F10[N-F] Frequency of N - F at topological distance 10 2D Atom Pairs4727 F10[N-Cl] Frequency of N - Cl at topological distance 10 2D Atom Pairs4728 F10[N-Br] Frequency of N - Br at topological distance 10 2D Atom Pairs4729 F10[N-I] Frequency of N - I at topological distance 10 2D Atom Pairs4730 F10[N-B] Frequency of N - B at topological distance 10 2D Atom Pairs4731 F10[N-Si] Frequency of N - Si at topological distance 10 2D Atom Pairs4732 F10[N-X] Frequency of N - X at topological distance 10 2D Atom Pairs4733 F10[O-O] Frequency of O - O at topological distance 10 2D Atom Pairs4734 F10[O-S] Frequency of O - S at topological distance 10 2D Atom Pairs4735 F10[O-P] Frequency of O - P at topological distance 10 2D Atom Pairs4736 F10[O-F] Frequency of O - F at topological distance 10 2D Atom Pairs4737 F10[O-Cl] Frequency of O - Cl at topological distance 10 2D Atom Pairs4738 F10[O-Br] Frequency of O - Br at topological distance 10 2D Atom Pairs4739 F10[O-I] Frequency of O - I at topological distance 10 2D Atom Pairs4740 F10[O-B] Frequency of O - B at topological distance 10 2D Atom Pairs4741 F10[O-Si] Frequency of O - Si at topological distance 10 2D Atom Pairs4742 F10[O-X] Frequency of O - X at topological distance 10 2D Atom Pairs4743 F10[S-S] Frequency of S - S at topological distance 10 2D Atom Pairs4744 F10[S-P] Frequency of S - P at topological distance 10 2D Atom Pairs4745 F10[S-F] Frequency of S - F at topological distance 10 2D Atom Pairs4746 F10[S-Cl] Frequency of S - Cl at topological distance 10 2D Atom Pairs4747 F10[S-Br] Frequency of S - Br at topological distance 10 2D Atom Pairs4748 F10[S-I] Frequency of S - I at topological distance 10 2D Atom Pairs4749 F10[S-B] Frequency of S - B at topological distance 10 2D Atom Pairs4750 F10[S-Si] Frequency of S - Si at topological distance 10 2D Atom Pairs4751 F10[S-X] Frequency of S - X at topological distance 10 2D Atom Pairs4752 F10[P-P] Frequency of P - P at topological distance 10 2D Atom Pairs4753 F10[P-F] Frequency of P - F at topological distance 10 2D Atom Pairs4754 F10[P-Cl] Frequency of P - Cl at topological distance 10 2D Atom Pairs4755 F10[P-Br] Frequency of P - Br at topological distance 10 2D Atom Pairs4756 F10[P-I] Frequency of P - I at topological distance 10 2D Atom Pairs4757 F10[P-B] Frequency of P - B at topological distance 10 2D Atom Pairs4758 F10[P-Si] Frequency of P - Si at topological distance 10 2D Atom Pairs4759 F10[P-X] Frequency of P - X at topological distance 10 2D Atom Pairs4760 F10[F-F] Frequency of F - F at topological distance 10 2D Atom Pairs4761 F10[F-Cl] Frequency of F - Cl at topological distance 10 2D Atom Pairs4762 F10[F-Br] Frequency of F - Br at topological distance 10 2D Atom Pairs4763 F10[F-I] Frequency of F - I at topological distance 10 2D Atom Pairs4764 F10[F-B] Frequency of F - B at topological distance 10 2D Atom Pairs4765 F10[F-Si] Frequency of F - Si at topological distance 10 2D Atom Pairs4766 F10[F-X] Frequency of F - X at topological distance 10 2D Atom Pairs4767 F10[Cl-Cl] Frequency of Cl - Cl at topological distance 10 2D Atom Pairs4768 F10[Cl-Br] Frequency of Cl - Br at topological distance 10 2D Atom Pairs4769 F10[Cl-I] Frequency of Cl - I at topological distance 10 2D Atom Pairs4770 F10[Cl-B] Frequency of Cl - B at topological distance 10 2D Atom Pairs4771 F10[Cl-Si] Frequency of Cl - Si at topological distance 10 2D Atom Pairs4772 F10[Cl-X] Frequency of Cl - X at topological distance 10 2D Atom Pairs4773 F10[Br-Br] Frequency of Br - Br at topological distance 10 2D Atom Pairs4774 F10[Br-I] Frequency of Br - I at topological distance 10 2D Atom Pairs4775 F10[Br-B] Frequency of Br - B at topological distance 10 2D Atom Pairs4776 F10[Br-Si] Frequency of Br - Si at topological distance 10 2D Atom Pairs4777 F10[Br-X] Frequency of Br - X at topological distance 10 2D Atom Pairs4778 F10[I-I] Frequency of I - I at topological distance 10 2D Atom Pairs4779 F10[I-B] Frequency of I - B at topological distance 10 2D Atom Pairs4780 F10[I-Si] Frequency of I - Si at topological distance 10 2D Atom Pairs4781 F10[I-X] Frequency of I - X at topological distance 10 2D Atom Pairs4782 F10[B-B] Frequency of B - B at topological distance 10 2D Atom Pairs4783 F10[B-Si] Frequency of B - Si at topological distance 10 2D Atom Pairs4784 F10[B-X] Frequency of B - X at topological distance 10 2D Atom Pairs4785 F10[Si-Si] Frequency of Si - Si at topological distance 10 2D Atom Pairs4786 F10[Si-X] Frequency of Si - X at topological distance 10 2D Atom Pairs4787 F10[X-X] Frequency of X - X at topological distance 10 2D Atom Pairs4788 G(N..N) sum of geometrical distances between N..N 3D Atom Pairs4789 G(N..O) sum of geometrical distances between N..O 3D Atom Pairs4790 G(N..S) sum of geometrical distances between N..S 3D Atom Pairs4791 G(N..P) sum of geometrical distances between N..P 3D Atom Pairs4792 G(N..F) sum of geometrical distances between N..F 3D Atom Pairs4793 G(N..Cl) sum of geometrical distances between N..Cl 3D Atom Pairs4794 G(N..Br) sum of geometrical distances between N..Br 3D Atom Pairs4795 G(N..I) sum of geometrical distances between N..I 3D Atom Pairs4796 G(O..O) sum of geometrical distances between O..O 3D Atom Pairs

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4797 G(O..S) sum of geometrical distances between O..S 3D Atom Pairs4798 G(O..P) sum of geometrical distances between O..P 3D Atom Pairs4799 G(O..F) sum of geometrical distances between O..F 3D Atom Pairs4800 G(O..Cl) sum of geometrical distances between O..Cl 3D Atom Pairs4801 G(O..Br) sum of geometrical distances between O..Br 3D Atom Pairs4802 G(O..I) sum of geometrical distances between O..I 3D Atom Pairs4803 G(S..S) sum of geometrical distances between S..S 3D Atom Pairs4804 G(S..P) sum of geometrical distances between S..P 3D Atom Pairs4805 G(S..F) sum of geometrical distances between S..F 3D Atom Pairs4806 G(S..Cl) sum of geometrical distances between S..Cl 3D Atom Pairs4807 G(S..Br) sum of geometrical distances between S..Br 3D Atom Pairs4808 G(S..I) sum of geometrical distances between S..I 3D Atom Pairs4809 G(P..P) sum of geometrical distances between P..P 3D Atom Pairs4810 G(P..F) sum of geometrical distances between P..F 3D Atom Pairs4811 G(P..Cl) sum of geometrical distances between P..Cl 3D Atom Pairs4812 G(P..Br) sum of geometrical distances between P..Br 3D Atom Pairs4813 G(P..I) sum of geometrical distances between P..I 3D Atom Pairs4814 G(F..F) sum of geometrical distances between F..F 3D Atom Pairs4815 G(F..Cl) sum of geometrical distances between F..Cl 3D Atom Pairs4816 G(F..Br) sum of geometrical distances between F..Br 3D Atom Pairs4817 G(F..I) sum of geometrical distances between F..I 3D Atom Pairs4818 G(Cl..Cl) sum of geometrical distances between Cl..Cl 3D Atom Pairs4819 G(Cl..Br) sum of geometrical distances between Cl..Br 3D Atom Pairs4820 G(Cl..I) sum of geometrical distances between Cl..I 3D Atom Pairs4821 G(Br..Br) sum of geometrical distances between Br..Br 3D Atom Pairs4822 G(Br..I) sum of geometrical distances between Br..I 3D Atom Pairs4823 G(I..I) sum of geometrical distances between I..I 3D Atom Pairs4824 qpmax maximum positive charge Charge descriptors4825 qnmax maximum negative charge Charge descriptors4826 Qpos total positive charge Charge descriptors4827 Qneg total negative charge Charge descriptors4828 Qtot total absolute charge (electronic charge index - ECI) Charge descriptors4829 Qmean mean absolute charge (charge polarization) Charge descriptors4830 Q2 total squared charge Charge descriptors4831 RPCG relative positive charge Charge descriptors4832 RNCG relative negative charge Charge descriptors4833 SPP submolecular polarity parameter Charge descriptors4834 TE1 topographic electronic descriptor Charge descriptors4835 TE2 topographic electronic descriptor (bond resctricted) Charge descriptors4836 PCWTE1 partial charge weighted topological electronic index Charge descriptors4837 PCWTE2 partial charge weighted topological electronic index (bond resctricted) Charge descriptors4838 LDI local dipole index Charge descriptors4839 Uc unsaturation count Molecular properties4840 Ui unsaturation index Molecular properties4841 Hy hydrophilic factor Molecular properties4842 AMR Ghose-Crippen molar refractivity Molecular properties4843 TPSA(NO) topological polar surface area using N,O polar contributions Molecular properties4844 TPSA(Tot) topological polar surface area using N,O,S,P polar contributions Molecular properties4845 MLOGP Moriguchi octanol-water partition coeff. (logP) Molecular properties4846 MLOGP2 squared Moriguchi octanol-water partition coeff. (logP^2) Molecular properties4847 ALOGP Ghose-Crippen octanol-water partition coeff. (logP) Molecular properties4848 ALOGP2 squared Ghose-Crippen octanol-water partition coeff. (logP^2) Molecular properties4849 SAtot total surface area from P_VSA-like descriptors Molecular properties4850 SAacc surface area of acceptor atoms from P_VSA-like descriptors Molecular properties4851 SAdon surface area of donor atoms from P_VSA-like descriptors Molecular properties4852 Vx McGowan volume Molecular properties4853 VvdwMG van der Waals volume from McGowan volume Molecular properties4854 VvdwZAZ van der Waals volume from Zhao-Abraham-Zissimos equation Molecular properties4855 PDI packing density index Molecular properties4856 BLTF96 Verhaar Fish base-line toxicity from MLOGP (mmol/l) Molecular properties4857 BLTD48 Verhaar Daphnia base-line toxicity from MLOGP (mmol/l) Molecular properties4858 BLTA96 Verhaar Algae base-line toxicity from MLOGP (mmol/l) Molecular properties4859 cRo5 Complementary Lipinski Alert index Drug-like indices4860 DLS_01 modified drug-like score from Lipinski (4 rules) Drug-like indices4861 DLS_02 modified drug-like score from Oprea et al. (6 rules) Drug-like indices4862 DLS_03 modified drug-like score from Walters et al. (6 rules) Drug-like indices4863 DLS_04 modified drug-like score from Chen et al. (7 rules) Drug-like indices4864 DLS_05 modified drug-like score from Zheng et al. (2 rules) Drug-like indices4865 DLS_06 modified drug-like score from Rishton (6 rules) Drug-like indices4866 DLS_07 modified drug-like score from Veber et al. (2 rules) Drug-like indices4867 DLS_cons DRAGON consensus drug-like score Drug-like indices4868 LLS_01 modified lead-like score from Congreve et al. (6 rules) Drug-like indices4869 LLS_02 modified lead-like score from Monge et al. (8 rules) Drug-like indices4870 CMC-80 Ghose-Viswanadhan-Wendoloski CMC drug-like index at 80% Drug-like indices4871 CMC-50 Ghose-Viswanadhan-Wendoloski CMC drug-like index at 50% Drug-like indices4872 Inflammat-80 Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 80% Drug-like indices4873 Inflammat-50 Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 50% Drug-like indices4874 Depressant-80 Ghose-Viswanadhan-Wendoloski antidepressant-like index at 80% Drug-like indices4875 Depressant-50 Ghose-Viswanadhan-Wendoloski antidepressant-like index at 50% Drug-like indices4876 Psychotic-80 Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 80% Drug-like indices4877 Psychotic-50 Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 50% Drug-like indices4878 Hypertens-80 Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 80% Drug-like indices4879 Hypertens-50 Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 50% Drug-like indices4880 Hypnotic-80 Ghose-Viswanadhan-Wendoloski hypnotic-like index at 80% Drug-like indices4881 Hypnotic-50 Ghose-Viswanadhan-Wendoloski hypnotic-like index at 50% Drug-like indices4882 Neoplastic-80 Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 80% Drug-like indices4883 Neoplastic-50 Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 50% Drug-like indices4884 Infective-80 Ghose-Viswanadhan-Wendoloski antiinfective-like index at 80% Drug-like indices4885 Infective-50 Ghose-Viswanadhan-Wendoloski antiinfective-like index at 50% Drug-like indices

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