mol stringlengths 19 139 | CID stringlengths 6 9 | Class int64 0 1 | Model stringclasses 3 values | pIC50 float64 2.54 9.52 | MW float64 138 933 | AlogP float64 -4.36 7.53 | HBA int64 0 9 | HBD int64 0 9 | RB int64 0 31 | HeavyAtomCount int64 10 66 | ChiralCenterCount int64 0 6 | ChiralCenterCountAllPossible int64 0 9 | RingCount int64 0 6 | PSA float64 36.9 386 | Estate float64 23.3 202 | MR float64 39.2 231 | Polar float64 19.7 104 | sLi_Key int64 0 0 | ssBe_Key int64 0 0 | ssssBem_Key int64 0 0 | sBH2_Key int64 0 0 | ssBH_Key int64 0 0 | sssB_Key int64 0 0 | ssssBm_Key int64 0 0 | sCH3_Key int64 0 1 | dCH2_Key int64 0 1 | ssCH2_Key int64 0 1 | tCH_Key int64 0 1 | dsCH_Key int64 0 1 | aaCH_Key int64 0 1 | sssCH_Key int64 0 1 | ddC_Key int64 0 0 | tsC_Key int64 0 1 | dssC_Key int64 0 1 | aasC_Key int64 0 1 | aaaC_Key int64 0 1 | ssssC_Key int64 0 1 | sNH3_Key int64 0 1 | sNH2_Key int64 0 1 | ssNH2_Key int64 0 1 | dNH_Key int64 0 1 | ssNH_Key int64 0 1 | aaNH_Key int64 0 1 | tN_Key int64 0 1 | sssNH_Key int64 0 1 | dsN_Key int64 0 1 | aaN_Key int64 0 1 | sssN_Key int64 0 1 | ddsN_Key int64 0 0 | aasN_Key int64 0 1 | ssssN_Key int64 0 0 | daaN_Key int64 0 0 | sOH_Key int64 0 1 | dO_Key int64 0 1 | ssO_Key int64 0 1 | aaO_Key int64 0 1 | aOm_Key int64 0 1 | sOm_Key int64 0 1 | sF_Key int64 0 1 | sSiH3_Key int64 0 0 | ssSiH2_Key int64 0 0 | sssSiH_Key int64 0 0 | ssssSi_Key int64 0 0 | sPH2_Key int64 0 0 | ssPH_Key int64 0 0 | sssP_Key int64 0 0 | dsssP_Key int64 0 0 | ddsP_Key int64 0 0 | sssssP_Key int64 0 0 | sSH_Key int64 0 0 | dS_Key int64 0 0 | ssS_Key int64 0 1 | aaS_Key int64 0 1 | dssS_Key int64 0 1 | ddssS_Key int64 0 1 | ssssssS_Key int64 0 0 | Sm_Key int64 0 0 | sCl_Key int64 0 1 | sGeH3_Key int64 0 0 | ssGeH2_Key int64 0 0 | sssGeH_Key int64 0 0 | ssssGe_Key int64 0 0 | sAsH2_Key int64 0 0 | ssAsH_Key int64 0 0 | sssAs_Key int64 0 0 | dsssAs_Key int64 0 0 | ddsAs_Key int64 0 0 | sssssAs_Key int64 0 0 | sSeH_Key int64 0 0 | dSe_Key int64 0 0 | ssSe_Key int64 0 0 | aaSe_Key int64 0 0 | dssSe_Key int64 0 0 | ssssssSe_Key int64 0 0 | ddssSe_Key int64 0 0 | sBr_Key int64 0 1 | sSnH3_Key int64 0 0 | ssSnH2_Key int64 0 0 | sssSnH_Key int64 0 0 | ssssSn_Key int64 0 0 | sI_Key int64 0 1 | sPbH3_Key int64 0 0 | ssPbH2_Key int64 0 0 | sssPbH_Key int64 0 0 | ssssPb_Key int64 0 0 | sLi_Cnt int64 0 0 | ssBe_Cnt int64 0 0 | ssssBem_Cnt int64 0 0 | sBH2_Cnt int64 0 0 | ssBH_Cnt int64 0 0 | sssB_Cnt int64 0 0 | ssssBm_Cnt int64 0 0 | sCH3_Cnt int64 0 10 | dCH2_Cnt int64 0 1 | ssCH2_Cnt int64 0 17 | tCH_Cnt int64 0 1 | dsCH_Cnt int64 0 4 | aaCH_Cnt int64 0 18 | sssCH_Cnt int64 0 12 | ddC_Cnt int64 0 0 | tsC_Cnt int64 0 2 | dssC_Cnt int64 0 10 | aasC_Cnt int64 0 10 | aaaC_Cnt int64 0 2 | ssssC_Cnt int64 0 3 | sNH3_Cnt int64 0 1 | sNH2_Cnt int64 0 2 | ssNH2_Cnt int64 0 2 | dNH_Cnt int64 0 1 | ssNH_Cnt int64 0 6 | aaNH_Cnt int64 0 2 | tN_Cnt int64 0 2 | sssNH_Cnt int64 0 1 | dsN_Cnt int64 0 2 | aaN_Cnt int64 0 3 | sssN_Cnt int64 0 2 | ddsN_Cnt int64 0 0 | aasN_Cnt int64 0 1 | ssssN_Cnt int64 0 0 | daaN_Cnt int64 0 0 | sOH_Cnt int64 0 3 | dO_Cnt int64 0 7 | ssO_Cnt int64 0 4 | aaO_Cnt int64 0 1 | aOm_Cnt int64 0 4 | sOm_Cnt int64 0 4 | sF_Cnt int64 0 10 | sSiH3_Cnt int64 0 0 | ssSiH2_Cnt int64 0 0 | sssSiH_Cnt int64 0 0 | ssssSi_Cnt int64 0 0 | sPH2_Cnt int64 0 0 | ssPH_Cnt int64 0 0 | sssP_Cnt int64 0 0 | dsssP_Cnt int64 0 0 | ddsP_Cnt int64 0 0 | sssssP_Cnt int64 0 0 | sSH_Cnt int64 0 0 | dS_Cnt int64 0 0 | ssS_Cnt int64 0 1 | aaS_Cnt int64 0 1 | dssS_Cnt int64 0 1 | ddssS_Cnt int64 0 2 | ssssssS_Cnt int64 0 0 | Sm_Cnt int64 0 0 | sCl_Cnt int64 0 2 | sGeH3_Cnt int64 0 0 | ssGeH2_Cnt int64 0 0 | sssGeH_Cnt int64 0 0 | ssssGe_Cnt int64 0 0 | sAsH2_Cnt int64 0 0 | ssAsH_Cnt int64 0 0 | sssAs_Cnt int64 0 0 | dsssAs_Cnt int64 0 0 | ddsAs_Cnt int64 0 0 | sssssAs_Cnt int64 0 0 | sSeH_Cnt int64 0 0 | dSe_Cnt int64 0 0 | ssSe_Cnt int64 0 0 | aaSe_Cnt int64 0 0 | dssSe_Cnt int64 0 0 | ssssssSe_Cnt int64 0 0 | ddssSe_Cnt int64 0 0 | sBr_Cnt int64 0 1 | sSnH3_Cnt int64 0 0 | ssSnH2_Cnt int64 0 0 | sssSnH_Cnt int64 0 0 | ssssSn_Cnt int64 0 0 | sI_Cnt int64 0 1 | sPbH3_Cnt int64 0 0 | ssPbH2_Cnt int64 0 0 | sssPbH_Cnt int64 0 0 | ssssPb_Cnt int64 0 0 | sLi_Sum int64 0 0 | ssBe_Sum int64 0 0 | ssssBem_Sum int64 0 0 | sBH2_Sum int64 0 0 | ssBH_Sum int64 0 0 | sssB_Sum int64 0 0 | ssssBm_Sum int64 0 0 | sCH3_Sum float64 0 49.7 | dCH2_Sum int64 0 7 | ssCH2_Sum float64 -0.74 57.1 | tCH_Sum int64 0 8 | dsCH_Sum float64 0 17.6 | aaCH_Sum float64 0 66.3 | sssCH_Sum float64 -4.79 14.3 | ddC_Sum int64 0 0 | tsC_Sum float64 0 10.2 | dssC_Sum float64 -0.02 15.6 | aasC_Sum float64 0 20.2 | aaaC_Sum float64 0 5.2 | ssssC_Sum float64 -15.56 4.26 | sNH3_Sum float64 0 9.06 | sNH2_Sum float64 0 17.7 | ssNH2_Sum float64 0 11.3 | dNH_Sum int64 0 13 | ssNH_Sum float64 0 34.2 | aaNH_Sum float64 0 8.57 | tN_Sum float64 0 21.8 | sssNH_Sum int64 0 4 | dsN_Sum float64 0 14.9 | aaN_Sum float64 0 18 | sssN_Sum float64 0 8.57 | ddsN_Sum int64 0 0 | aasN_Sum float64 0 4.37 | ssssN_Sum int64 0 0 | daaN_Sum int64 0 0 | sOH_Sum float64 0 51.3 | dO_Sum float64 0 131 | ssO_Sum float64 0 35.7 | aaO_Sum float64 0 9.71 | aOm_Sum float64 0 60.5 | sOm_Sum float64 0 82.2 | sF_Sum float64 0 150 | sSiH3_Sum int64 0 0 | ssSiH2_Sum int64 0 0 | sssSiH_Sum int64 0 0 | ssssSi_Sum int64 0 0 | sPH2_Sum int64 0 0 | ssPH_Sum int64 0 0 | sssP_Sum int64 0 0 | dsssP_Sum int64 0 0 | ddsP_Sum int64 0 0 | sssssP_Sum int64 0 0 | sSH_Sum int64 0 0 | dS_Sum int64 0 0 | ssS_Sum float64 0 4.02 | aaS_Sum float64 0 3.71 | dssS_Sum float64 -0.15 0.28 | ddssS_Sum float64 -6.37 0 | ssssssS_Sum int64 0 0 | Sm_Sum int64 0 0 | sCl_Sum float64 0 16 | sGeH3_Sum int64 0 0 | ssGeH2_Sum int64 0 0 | sssGeH_Sum int64 0 0 | ssssGe_Sum int64 0 0 | sAsH2_Sum int64 0 0 | ssAsH_Sum int64 0 0 | sssAs_Sum int64 0 0 | dsssAs_Sum int64 0 0 | ddsAs_Sum int64 0 0 | sssssAs_Sum int64 0 0 | sSeH_Sum int64 0 0 | dSe_Sum int64 0 0 | ssSe_Sum int64 0 0 | aaSe_Sum int64 0 0 | dssSe_Sum int64 0 0 | ssssssSe_Sum int64 0 0 | ddssSe_Sum int64 0 0 | sBr_Sum int64 0 5 | sSnH3_Sum int64 0 0 | ssSnH2_Sum int64 0 0 | sssSnH_Sum int64 0 0 | ssssSn_Sum int64 0 0 | sI_Sum float64 0 3.8 | sPbH3_Sum int64 0 0 | ssPbH2_Sum int64 0 0 | sssPbH_Sum int64 0 0 | ssssPb_Sum int64 0 0 | sLi_Avg int64 0 0 | ssBe_Avg int64 0 0 | ssssBem_Avg int64 0 0 | sBH2_Avg int64 0 0 | ssBH_Avg int64 0 0 | sssB_Avg int64 0 0 | ssssBm_Avg int64 0 0 | sCH3_Avg float64 0 5.29 | dCH2_Avg int64 0 7 | ssCH2_Avg float64 -0.37 3.56 | tCH_Avg int64 0 8 | dsCH_Avg float64 0 4.43 | aaCH_Avg float64 0 4.35 | sssCH_Avg float64 -3.57 2.87 | ddC_Avg int64 0 0 | tsC_Avg float64 0 5.1 | dssC_Avg float64 -0.01 2.81 | aasC_Avg float64 0 3.29 | aaaC_Avg float64 0 2.6 | ssssC_Avg float64 -5.44 2.34 | sNH3_Avg float64 0 9.06 | sNH2_Avg float64 0 11 | ssNH2_Avg float64 0 5.94 | dNH_Avg int64 0 13 | ssNH_Avg float64 0 6.98 | aaNH_Avg float64 0 5.52 | tN_Avg float64 0 12.9 | sssNH_Avg int64 0 4 | dsN_Avg float64 0 7.78 | aaN_Avg float64 0 8.15 | sssN_Avg float64 0 5.46 | ddsN_Avg int64 0 0 | aasN_Avg float64 0 4.37 | ssssN_Avg int64 0 0 | daaN_Avg int64 0 0 | sOH_Avg float64 0 19.4 | dO_Avg float64 0 21.2 | ssO_Avg float64 0 10.2 | aaO_Avg float64 0 9.71 | aOm_Avg float64 0 15.2 | sOm_Avg float64 0 21.7 | sF_Avg float64 0 20.9 | sSiH3_Avg int64 0 0 | ssSiH2_Avg int64 0 0 | sssSiH_Avg int64 0 0 | ssssSi_Avg int64 0 0 | sPH2_Avg int64 0 0 | ssPH_Avg int64 0 0 | sssP_Avg int64 0 0 | dsssP_Avg int64 0 0 | ddsP_Avg int64 0 0 | sssssP_Avg int64 0 0 | sSH_Avg int64 0 0 | dS_Avg int64 0 0 | ssS_Avg float64 0 4.02 | aaS_Avg float64 0 3.71 | dssS_Avg float64 -0.15 0.28 | ddssS_Avg float64 -3.78 0 | ssssssS_Avg int64 0 0 | Sm_Avg int64 0 0 | sCl_Avg float64 0 8.45 | sGeH3_Avg int64 0 0 | ssGeH2_Avg int64 0 0 | sssGeH_Avg int64 0 0 | ssssGe_Avg int64 0 0 | sAsH2_Avg int64 0 0 | ssAsH_Avg int64 0 0 | sssAs_Avg int64 0 0 | dsssAs_Avg int64 0 0 | ddsAs_Avg int64 0 0 | sssssAs_Avg int64 0 0 | sSeH_Avg int64 0 0 | dSe_Avg int64 0 0 | ssSe_Avg int64 0 0 | aaSe_Avg int64 0 0 | dssSe_Avg int64 0 0 | ssssssSe_Avg int64 0 0 | ddssSe_Avg int64 0 0 | sBr_Avg int64 0 5 | sSnH3_Avg int64 0 0 | ssSnH2_Avg int64 0 0 | sssSnH_Avg int64 0 0 | ssssSn_Avg int64 0 0 | sI_Avg float64 0 3.8 | sPbH3_Avg int64 0 0 | ssPbH2_Avg int64 0 0 | sssPbH_Avg int64 0 0 | ssssPb_Avg int64 0 0 | First Zagreb (ZM1) int64 44 314 | First Zagreb index by valence vertex degrees (ZM1V) float64 105 1k | Second Zagreb (ZM2) int64 47 357 | Second Zagreb index by valence vertex degrees (ZM2V) float64 102 808 | Polarity (Pol) int64 10 97 | Narumi Simple Topological (NST) float64 6.36 41.7 | Narumi Harmonic Topological (NHT) float64 1.57 2.16 | Narumi Geometric Topological (NGT) float64 1.75 2.23 | Total structure connectivity (TSC) float64 0.15 0.4 | Wiener (W) int64 127 24.3k | Mean Wiener (MW) float64 2.6 11.3 | Xu (Xu) float64 10.2 53.8 | Quadratic (QIndex) int64 5 37 | Radial centric (RC) float64 1.82 3.9 | Mean Square Distance Balaban (MSDB) float64 0.17 0.34 | Superpendentic (SP) float64 8.77 152,394B | Harary (Har) float64 22.1 339 | Log of product of row sums (LPRS) float64 32.1 434 | Pogliani (Pog) float64 21.5 151 | Schultz Molecular Topological (SMT) int64 529 95.3k | Schultz Molecular Topological by valence vertex degrees (SMTV) float64 885 176k | Mean Distance Degree Deviation (MDDD) float64 3.45 123 | Ramification (Ram) int64 2 23 | Gutman Molecular Topological (GMT) int64 452 92.6k | Gutman MTI by valence vertex degrees (GMTV) float64 1.17k 314k | Average vertex distance degree (AVDD) float64 25.4 736 | Unipolarity (UP) int64 19 528 | Centralization (CENT) int64 64 13.8k | Variation (VAR) int64 15 536 | Molecular electrotopological variation (MEV) float64 7.3 160 | Maximal electrotopological positive variation (MEPV) float64 1.62 7.76 | Maximal electrotopological negative variation (MENV) float64 1.12 7.17 | Eccentric connectivity (ECCc) int64 102 3k | Eccentricity (ECC) int64 51 1.52k | Average eccentricity (AECC) float64 4.64 23 | Eccentric (DECC) float64 0.76 3.4 | Valence connectivity index chi-0 (vX0) float64 5.63 38.5 | Valence connectivity index chi-1 (vX1) float64 3.16 21.9 | Valence connectivity index chi-2 (vX2) float64 2.27 17.7 | Valence connectivity index chi-3 (vX3) float64 1.4 11 | Valence connectivity index chi-4 (vX4) float64 0.87 7.88 | Valence connectivity index chi-5 (vX5) float64 0.39 5.23 | Average valence connectivity index chi-0 (AvX0) float64 0.5 0.66 | Average valence connectivity index chi-1 (AvX1) float64 0.26 0.39 | Average valence connectivity index chi-2 (AvX2) float64 0.13 0.25 | Average valence connectivity index chi-3 (AvX3) float64 0.07 0.13 | Average valence connectivity index chi-4 (AvX4) float64 0.03 0.08 | Average valence connectivity index chi-5 (AvX5) float64 0.02 0.05 | Quasi Wiener (QW) float64 94.8 24.1k | First Mohar (FM) float64 -114.95 723 | Second Mohar (SM) float64 1.28 11.6 | Spanning tree number (STN) int64 1 37.8k | Kier benzene-likeliness index (KBLI) float64 0.77 1.18 | Topological charge index of order 1 (TCI1) float64 2 18.5 | Topological charge index of order 2 (TCI2) float64 0.89 8 | Topological charge index of order 3 (TCI3) float64 0.25 5.04 | Topological charge index of order 4 (TCI4) float64 0.34 4.87 | Topological charge index of order 5 (TCI5) float64 0.15 3.12 | Topological charge index of order 6 (TCI6) float64 0 2.14 | Topological charge index of order 7 (TCI7) float64 0 2 | Topological charge index of order 8 (TCI8) float64 0 1.56 | Topological charge index of order 9 (TCI9) float64 0 1.05 | Topological charge index of order 10 (TCI10) float64 0 1 | Mean topological charge index of order 1 (MTCI1) float64 0.1 0.4 | Mean topological charge index of order 2 (MTCI2) float64 0.05 0.13 | Mean topological charge index of order 3 (MTCI3) float64 0.03 0.09 | Mean topological charge index of order 4 (MTCI4) float64 0.02 0.06 | Mean topological charge index of order 5 (MTCI5) float64 0.01 0.05 | Mean topological charge index of order 6 (MTCI6) float64 0 0.05 | Mean topological charge index of order 7 (MTCI7) float64 0 0.03 | Mean topological charge index of order 8 (MTCI8) float64 0 0.03 | Mean topological charge index of order 9 (MTCI9) float64 0 0.02 | Mean topological charge index of order 10 (MTCI10) float64 0 0.02 | Global topological charge (GTC) float64 0.3 0.74 | Hyper-distance-path index (HDPI) int64 296 197k | Reciprocal hyper-distance-path index (RHDPI) float64 16.7 157 | Square reciprocal distance sum (SRDS) float64 22.1 339 | Modified Randic connectivity (MRC) float64 29.9 199 | Balaban centric (BC) int64 0 249 | Lopping centric (LC) int64 0 2 | Kier Hall electronegativity (KHE) float64 5.67 42.3 | Sum of topological distances between N..N (STD(N N)) int64 0 272 | Sum of topological distances between N..O (STD(N O)) int64 0 1.24k | Sum of topological distances between N..S (STD(N S)) int64 0 55 | Sum of topological distances between N..P (STD(N P)) int64 0 0 | Sum of topological distances between N..F (STD(N F)) int64 0 248 | Sum of topological distances between N..Cl (STD(N Cl)) int64 0 96 | Sum of topological distances between N..Br (STD(N Br)) int64 0 56 | Sum of topological distances between N..I (STD(N I)) int64 0 29 | Sum of topological distances between O..O (STD(O O)) int64 0 1.41k | Sum of topological distances between O..S (STD(O S)) int64 0 84 | Sum of topological distances between O..P (STD(O P)) int64 0 0 | Sum of topological distances between O..F (STD(O F)) int64 0 493 | Sum of topological distances between O..Cl (STD(O Cl)) int64 0 128 | Sum of topological distances between O..Br (STD(O Br)) int64 0 39 | Sum of topological distances between O..I (STD(O I)) int64 0 34 | Sum of topological distances between S..S (STD(S S)) int64 0 6 | Sum of topological distances between S..P (STD(S P)) int64 0 0 | Sum of topological distances between S..F (STD(S F)) int64 0 97 | Sum of topological distances between S..Cl (STD(S Cl)) int64 0 32 | Sum of topological distances between S..Br (STD(S Br)) int64 0 7 | Sum of topological distances between S..I (STD(S I)) int64 0 0 | Sum of topological distances between P..P (STD(P P)) int64 0 0 | Sum of topological distances between P..F (STD(P F)) int64 0 0 | Sum of topological distances between P..Cl (STD(P Cl)) int64 0 0 | Sum of topological distances between P..Br (STD(P Br)) int64 0 0 | Sum of topological distances between P..I (STD(P I)) int64 0 0 | Sum of topological distances between F..F (STD(F F)) int64 0 465 | Sum of topological distances between F..Cl (STD(F Cl)) int64 0 64 | Sum of topological distances between F..Br (STD(F Br)) int64 0 33 | Sum of topological distances between F..I (STD(F I)) int64 0 26 | Sum of topological distances between Cl..Cl (STD(Cl Cl)) int64 0 12 | Sum of topological distances between Cl..Br (STD(Cl Br)) int64 0 30 | Sum of topological distances between Cl..I (STD(Cl I)) int64 0 12 | Sum of topological distances between Br..Br (STD(Br Br)) int64 0 0 | Sum of topological distances between Br..I (STD(Br I)) int64 0 0 | Sum of topological distances between I..I (STD(I I)) int64 0 0 | Wiener-type index from Z weighted distance matrix - Barysz matrix (WhetZ) float64 89.5 22.2k | Wiener-type index from electronegativity weighted distance matrix (Whete) float64 94 22.2k | Wiener-type index from mass weighted distance matrix (Whetm) float64 89.4 22.2k | Wiener-type index from van der waals weighted distance matrix (Whetv) float64 116 28.9k | Wiener-type index from polarizability weighted distance matrix (Whetp) float64 119 30.6k | Balaban-type index from Z weighted distance matrix - Barysz matrix (JhetZ) float64 1.26 5.91 | Balaban-type index from electronegativity weighted distance matrix (Jhete) float64 1.25 5.84 | Balaban-type index from mass weighted distance matrix (Jhetm) float64 1.26 5.91 | Balaban-type index from van der waals weighted distance matrix (Jhetv) float64 1.04 4.61 | Balaban-type index from polarizability weighted distance matrix (Jhetp) float64 0.99 4.39 | Topological diameter (TD) int64 6 30 | Topological radius (TR) int64 3 15 | Petitjean 2D shape (PJ2DS) float64 0.75 1 | Balaban distance connectivity index (J) float64 1.06 5.41 | Solvation connectivity index chi-0 (SCIX0) float64 7.4 50.4 | Solvation connectivity index chi-1 (SCIX1) float64 4.83 30.7 | Solvation connectivity index chi-2 (SCIX2) float64 3.91 29.1 | Solvation connectivity index chi-3 (SCIX3) float64 2.83 21.8 | Solvation connectivity index chi-4 (SCIX4) float64 2.03 16.6 | Solvation connectivity index chi-5 (SCIX5) float64 1.18 11.6 | Connectivity index chi-0 (CIX0) float64 7.4 50.4 | Connectivity chi-1 [Randic connectivity] (CIX1) float64 4.83 30.7 | Connectivity index chi-2 (CIX2) float64 3.91 29 | Connectivity index chi-3 (CIX3) float64 2.83 21 | Connectivity index chi-4 (CIX4) float64 2.03 16.2 | Connectivity index chi-5 (CIX5) float64 1.18 11.1 | Average connectivity index chi-0 (ACIX0) float64 0.68 0.78 | Average connectivity index chi-1 (ACIX1) float64 0.41 0.48 | Average connectivity index chi-2 (ACIX2) float64 0.25 0.34 | Average connectivity index chi-3 (ACIX3) float64 0.15 0.22 | Average connectivity index chi-4 (ACIX4) float64 0.09 0.14 | Average connectivity index chi-5 (ACIX5) float64 0.05 0.11 | reciprocal distance Randic-type index (RDR) float64 2.2 6.26 | reciprocal distance square Randic-type index (RDSR) float64 46 720 | 1-path Kier alpha-modified shape index (KAMS1) float64 8.07 64 | 2-path Kier alpha-modified shape index (KAMS2) float64 3.07 33.6 | 3-path Kier alpha-modified shape index (KAMS3) float64 4 28.6 | Kier flexibility (KF) float64 2.25 32.6 | path/walk 2 - Randic shape index (RSIpw2) float64 0.54 0.63 | path/walk 3 - Randic shape index (RSIpw3) float64 0.27 0.39 | path/walk 4 - Randic shape index (RSIpw4) float64 0.14 0.23 | path/walk 5 - Randic shape index (RSIpw5) float64 0.08 0.14 | E-state topological parameter (ETP) float64 23.3 194 | Ring Count 3 (RNGCNT3) int64 0 2 | Ring Count 4 (RNGCNT4) int64 0 1 | Ring Count 5 (RNGCNT5) int64 0 2 | Ring Count 6 (RNGCNT6) int64 0 5 | Ring Count 7 (RNGCNT7) int64 0 1 | Ring Count 8 (RNGCNT8) int64 0 0 | Ring Count 9 (RNGCNT9) int64 0 0 | Ring Count 10 (RNGCNT10) int64 0 0 | Ring Count 11 (RNGCNT11) int64 0 0 | Ring Count 12 (RNGCNT12) int64 0 0 | Ring Count 13 (RNGCNT13) int64 0 0 | Ring Count 14 (RNGCNT14) int64 0 0 | Ring Count 15 (RNGCNT15) int64 0 1 | Ring Count 16 (RNGCNT16) int64 0 1 | Ring Count 17 (RNGCNT17) int64 0 0 | Ring Count 18 (RNGCNT18) int64 0 0 | Ring Count 19 (RNGCNT19) int64 0 0 | Ring Count 20 (RNGCNT20) int64 0 0 | Atom Count (ATMCNT) int64 10 66 | Bond Count (BNDCNT) int64 10 66 | Atoms in Ring System (ATMRNGCNT) int64 0 32 | Bonds in Ring System (BNDRNGCNT) int64 0 34 | Cyclomatic number (CYCLONUM) int64 0 6 | Number of ring systems (NRS) int64 -1 5 | Normalized number of ring systems (NNRS) float64 -0.25 1 | Ring Fusion degree (RFD) float64 -4 5 | Ring perimeter (RNGPERM) int64 0 66 | Ring bridge count (RNGBDGE) int64 -32 0 | Molecule cyclized degree (MCD) float64 0 0.96 | Ring Fusion density (RFDELTA) float64 -2.67 0 | Ring complexity index (RCI) float64 -0.06 0.21 | Van der Waals surface area (VSA) float64 163 1.29k | MR1 (MR1) float64 -3.5 108 | MR2 (MR2) int64 0 0 | MR3 (MR3) int64 0 0 | MR4 (MR4) int64 0 0 | MR5 (MR5) int64 0 0 | MR6 (MR6) int64 0 0 | MR7 (MR7) int64 0 0 | MR8 (MR8) float64 163 1.18k | ALOGP1 (ALOGP1) float64 0 257 | ALOGP2 (ALOGP2) float64 -5.54 171 | ALOGP3 (ALOGP3) float64 20.1 379 | ALOGP4 (ALOGP4) float64 -3.15 62 | ALOGP5 (ALOGP5) float64 0 116 | ALOGP6 (ALOGP6) float64 0 78.1 | ALOGP7 (ALOGP7) float64 0 76.8 | ALOGP8 (ALOGP8) float64 0 28.7 | ALOGP9 (ALOGP9) float64 -0.82 53.3 | ALOGP10 (ALOGP10) float64 59.2 613 | PEOE1 (PEOE1) float64 -3.8 196 | PEOE2 (PEOE2) float64 0 145 | PEOE3 (PEOE3) float64 0 116 | PEOE4 (PEOE4) float64 -0.3 123 | PEOE5 (PEOE5) float64 -1.24 94.8 | PEOE6 (PEOE6) float64 0 160 | PEOE7 (PEOE7) float64 4.45 124 | PEOE8 (PEOE8) float64 1.92 507 | PEOE9 (PEOE9) float64 0 379 | PEOE10 (PEOE10) float64 -2.22 91.2 | PEOE11 (PEOE11) float64 -7.29 29.8 | PEOE12 (PEOE12) float64 -6.11 48.1 | PEOE13 (PEOE13) float64 -7.38 16.4 | PEOE14 (PEOE14) float64 -1.27 61.7 | canvasUID int64 2 1.55k |
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Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 | BACE_42 | 1 | Train | 7.853872 | 433.3988 | 5.0799 | 3 | 0 | 7 | 31 | 1 | 1 | 3 | 67.919998 | 91.251999 | 99.470001 | 46.867001 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 7 | 1 | 0 | 2 | 2 | 5 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.4608 | 0 | 4.4589 | 0 | 0 | 19.0278 | -2.3552 | 0 | 8.1715 | 1.4851 | 4.8297 | 0 | -0.8209 | 0 | 9.0859 | 0 | 0 | 0 | 0 | 0 | 0 | 6.0407 | 0 | 2.5343 | 0 | 0 | 0 | 0 | 0 | 16.0634 | 5.8658 | 0 | 0 | 0 | 62.912102 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.4608 | 0 | 1.4863 | 0 | 0 | 2.7183 | -2.3552 | 0 | 4.0858 | 0.7426 | 0.9659 | 0 | -0.8209 | 0 | 9.0859 | 0 | 0 | 0 | 0 | 0 | 0 | 6.0407 | 0 | 2.5343 | 0 | 0 | 0 | 0 | 0 | 16.0634 | 5.8658 | 0 | 0 | 0 | 15.728 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 160 | 572 | 191 | 482 | 53 | 20.977865 | 1.797102 | 1.967385 | 0.218333 | 2,698 | 5.802151 | 28.752415 | 21 | 2.945142 | 0.218266 | 3,886.1509 | 126.11301 | 159.03659 | 71.5 | 11,085 | 22,664 | 35.494278 | 11 | 10,932 | 45,304 | 174.06451 | 113 | 1,893 | 171 | 60.284447 | 6.29786 | 4.330233 | 754 | 366 | 11.806452 | 1.735692 | 16.540255 | 9.3299 | 6.736401 | 4.77991 | 3.120728 | 1.931245 | 0.533557 | 0.282724 | 0.143328 | 0.074686 | 0.038528 | 0.019707 | 2,195.0667 | 119.20198 | 3.795643 | 180 | 0.848173 | 7.5 | 4.666667 | 3.298611 | 2.175556 | 1.514445 | 1.137914 | 0.778699 | 0.424304 | 0.356574 | 0.168658 | 0.227273 | 0.099291 | 0.062238 | 0.041048 | 0.028574 | 0.024211 | 0.01854 | 0.011166 | 0.011143 | 0.006746 | 0.523484 | 11,650 | 72.82399 | 126.11301 | 95.082771 | 0 | 0 | 19.25 | 6 | 30 | 0 | 0 | 108 | 0 | 0 | 0 | 7 | 0 | 0 | 64 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 66 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2,102.2976 | 2,105.5754 | 2,098.4011 | 2,695.5874 | 2,868.3718 | 2.217193 | 2.214479 | 2.220102 | 1.802154 | 1.713278 | 16 | 8 | 1 | 1.734051 | 22.595648 | 14.789766 | 13.385446 | 11.172125 | 8.791266 | 6.475043 | 22.595648 | 14.789766 | 13.385446 | 11.172125 | 8.791266 | 6.275059 | 0.728892 | 0.448175 | 0.284797 | 0.174564 | 0.108534 | 0.067474 | 3.965184 | 283.4093 | 25.388872 | 11.26121 | 8.241395 | 9.222884 | 0.580167 | 0.340928 | 0.182801 | 0.104193 | 91.25 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 31 | 33 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.548387 | -1.647059 | 0.176471 | 479.16974 | 28.375778 | 0 | 0 | 0 | 0 | 0 | 0 | 450.79395 | 40.797089 | 53.953518 | 56.947674 | 9.751966 | 52.503624 | 10.745362 | 0 | 28.375778 | 17.775217 | 208.3195 | 0 | 58.561817 | 27.482035 | 36.484203 | 14.038015 | 25.739992 | 47.347267 | 90.487183 | 124.09721 | 36.709339 | 3.271739 | 7.98017 | 0 | 6.970751 | 42 |
FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 | BACE_403 | 1 | Test | 8 | 387.3551 | 4.097 | 3 | 0 | 5 | 28 | 1 | 1 | 3 | 67.919998 | 80.584999 | 89.885201 | 43.287998 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 8 | 1 | 0 | 2 | 2 | 4 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.4812 | 0 | 0.2139 | 0 | 0 | 23.312201 | -2.331 | 0 | 7.2242 | 1.5937 | 5.3704 | 0 | -0.6989 | 0 | 9.0291 | 0 | 0 | 0 | 0 | 0 | 0 | 6.0312 | 0 | 2.5642 | 0 | 0 | 0 | 0 | 0 | 15.8651 | 5.8331 | 0 | 0 | 0 | 44.572201 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.4812 | 0 | 0.2139 | 0 | 0 | 2.914 | -2.331 | 0 | 3.6121 | 0.7969 | 1.3426 | 0 | -0.6989 | 0 | 9.0291 | 0 | 0 | 0 | 0 | 0 | 0 | 6.0312 | 0 | 2.5642 | 0 | 0 | 0 | 0 | 0 | 15.8651 | 5.8331 | 0 | 0 | 0 | 14.8574 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 146 | 508 | 175 | 439 | 48 | 19.186106 | 1.816216 | 1.984205 | 0.2283 | 1,983 | 5.246032 | 26.206165 | 20 | 2.783389 | 0.217632 | 1,129.8309 | 110.24531 | 137.91562 | 64 | 8,223 | 16,861 | 27.852041 | 10 | 8,115 | 33,731 | 141.64285 | 91 | 1,418 | 128 | 47.225819 | 6.110674 | 4.293073 | 593 | 287 | 10.25 | 1.607143 | 14.825427 | 8.224252 | 5.963675 | 4.317196 | 2.919152 | 1.782828 | 0.52948 | 0.274142 | 0.13869 | 0.073173 | 0.03841 | 0.019592 | 1,580.4667 | 94.711754 | 3.2229 | 180 | 0.822425 | 7 | 4 | 3.111111 | 1.922222 | 1.292222 | 0.92576 | 0.566008 | 0.379204 | 0.285324 | 0.090909 | 0.233333 | 0.093023 | 0.064815 | 0.039229 | 0.026372 | 0.023144 | 0.017688 | 0.013076 | 0.010974 | 0.005682 | 0.521654 | 7,759 | 65.431221 | 110.24531 | 85.75264 | 0 | 0 | 17 | 6 | 30 | 0 | 0 | 81 | 0 | 0 | 0 | 7 | 0 | 0 | 43 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 30 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,524.5178 | 1,526.926 | 1,521.9393 | 2,007.6368 | 2,143.0303 | 2.267148 | 2.264364 | 2.269742 | 1.802712 | 1.709217 | 14 | 7 | 1 | 1.758695 | 20.31119 | 13.379083 | 12.160554 | 10.129917 | 8.186192 | 5.96919 | 20.31119 | 13.379083 | 12.160554 | 10.129917 | 8.186192 | 5.769205 | 0.7254 | 0.445969 | 0.282804 | 0.171694 | 0.107713 | 0.067084 | 3.715016 | 249.1873 | 22.507435 | 9.753987 | 7.237882 | 7.840616 | 0.580253 | 0.342752 | 0.191323 | 0.111432 | 80.583336 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 28 | 30 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.607143 | -1.647059 | 0.176471 | 422.328 | 28.375778 | 0 | 0 | 0 | 0 | 0 | 0 | 393.95221 | 31.898363 | 62.533512 | 56.947674 | 9.751966 | 52.503624 | 5.065188 | 0 | 28.375778 | 0 | 175.25189 | 0 | 40.543346 | 27.72529 | 36.484203 | 14.038015 | 34.319988 | 39.612499 | 46.657413 | 127.41508 | 37.30949 | 3.271739 | 7.98017 | 0 | 6.970751 | 403 |
FCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 | BACE_404 | 1 | Test | 8 | 401.38171 | 4.4182 | 3 | 0 | 6 | 29 | 1 | 1 | 3 | 67.919998 | 82.084999 | 94.652603 | 45.123001 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 8 | 1 | 0 | 2 | 2 | 4 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.521 | 0 | 2.193 | 0 | 0 | 23.9466 | -2.3156 | 0 | 8.3014 | 1.6842 | 5.7106 | 0 | -0.6498 | 0 | 9.110601 | 0 | 0 | 0 | 0 | 0 | 0 | 6.1215 | 0 | 2.6126 | 0 | 0 | 0 | 0 | 0 | 16.0376 | 5.8843 | 0 | 0 | 0 | 45.485901 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.521 | 0 | 1.0965 | 0 | 0 | 2.9933 | -2.3156 | 0 | 4.1507 | 0.8421 | 1.4276 | 0 | -0.6498 | 0 | 9.110601 | 0 | 0 | 0 | 0 | 0 | 0 | 6.1215 | 0 | 2.6126 | 0 | 0 | 0 | 0 | 0 | 16.0376 | 5.8843 | 0 | 0 | 0 | 15.162 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 150 | 512 | 179 | 443 | 49 | 19.879253 | 1.82199 | 1.984747 | 0.224285 | 2,230 | 5.492611 | 27.135094 | 20 | 2.805368 | 0.220811 | 1,369.9219 | 114.95968 | 145.19191 | 66 | 9,217 | 18,509 | 30.846611 | 10 | 9,102 | 36,286 | 153.79311 | 99 | 1,589 | 148 | 48.256516 | 6.167409 | 4.289539 | 661 | 320 | 11.034483 | 1.633769 | 15.532534 | 8.724252 | 6.269027 | 4.469872 | 2.99549 | 1.840043 | 0.535605 | 0.281427 | 0.142478 | 0.074498 | 0.038902 | 0.02 | 1,799.3334 | 104.23069 | 3.508567 | 180 | 0.844282 | 7 | 4 | 3.111111 | 1.922222 | 1.292222 | 0.92576 | 0.581633 | 0.399613 | 0.305324 | 0.143967 | 0.225806 | 0.090909 | 0.063492 | 0.038444 | 0.025844 | 0.022042 | 0.017107 | 0.012891 | 0.010528 | 0.006856 | 0.507064 | 9,152 | 67.588287 | 114.95968 | 88.75264 | 0 | 0 | 17.5 | 6 | 30 | 0 | 0 | 84 | 0 | 0 | 0 | 7 | 0 | 0 | 45 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 32 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,727.3334 | 1,729.8331 | 1,724.66 | 2,229.4495 | 2,370.1018 | 2.221467 | 2.218955 | 2.223793 | 1.794707 | 1.707317 | 15 | 8 | 0.875 | 1.731767 | 21.018297 | 13.879083 | 12.514108 | 10.379917 | 8.376405 | 6.028976 | 21.018297 | 13.879083 | 12.514108 | 10.379917 | 8.376405 | 5.828992 | 0.724769 | 0.447712 | 0.284412 | 0.172999 | 0.108784 | 0.067 | 3.823441 | 259.05508 | 23.485882 | 10.423879 | 7.783682 | 8.441861 | 0.577485 | 0.338732 | 0.187455 | 0.107387 | 82.083336 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 29 | 31 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.586207 | -1.647059 | 0.176471 | 448.69223 | 28.375778 | 0 | 0 | 0 | 0 | 0 | 0 | 420.31647 | 36.347725 | 62.533512 | 56.947674 | 9.751966 | 52.503624 | 5.065188 | 0 | 28.375778 | 0 | 197.16678 | 0 | 58.561817 | 9.706819 | 36.484203 | 14.038015 | 34.319988 | 42.897907 | 68.572296 | 134.85938 | 31.029167 | 3.271739 | 7.98017 | 0 | 6.970751 | 404 |
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCO | BACE_405 | 1 | Test | 8 | 399.39069 | 3.4782 | 4 | 1 | 6 | 29 | 1 | 1 | 3 | 88.150002 | 80.084999 | 96.344704 | 45.851002 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 8 | 1 | 0 | 2 | 2 | 4 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.5468 | 0 | 3.1757 | 0 | 0 | 24.3036 | -2.3015 | 0 | 8.6758 | 1.7461 | 5.9061 | 0 | -0.6126 | 0 | 9.1482 | 0 | 0 | 0 | 0 | 0 | 0 | 6.1663 | 0 | 2.643 | 0 | 0 | 0 | 0 | 13.1499 | 16.102699 | 5.9101 | 0 | 0 | 0 | 29.565901 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.5468 | 0 | 1.5878 | 0 | 0 | 3.038 | -2.3015 | 0 | 4.3379 | 0.873 | 1.4765 | 0 | -0.6126 | 0 | 9.1482 | 0 | 0 | 0 | 0 | 0 | 0 | 6.1663 | 0 | 2.643 | 0 | 0 | 0 | 0 | 13.1499 | 16.102699 | 5.9101 | 0 | 0 | 0 | 14.7829 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 150 | 488 | 179 | 439 | 49 | 19.879253 | 1.82199 | 1.984747 | 0.224285 | 2,230 | 5.492611 | 27.135094 | 20 | 2.805368 | 0.220811 | 1,369.9219 | 114.95968 | 145.19191 | 65.5 | 9,217 | 18,011 | 30.846611 | 10 | 9,102 | 34,266 | 153.79311 | 99 | 1,589 | 148 | 45.976917 | 6.183938 | 4.28065 | 661 | 320 | 11.034483 | 1.633769 | 15.601783 | 8.773218 | 6.303651 | 4.487185 | 3.004146 | 1.844371 | 0.537992 | 0.283007 | 0.143265 | 0.074786 | 0.039015 | 0.020048 | 1,799.3334 | 104.23069 | 3.508567 | 180 | 0.849021 | 7 | 4 | 3.111111 | 1.922222 | 1.292222 | 0.92576 | 0.581633 | 0.399613 | 0.305324 | 0.143967 | 0.225806 | 0.090909 | 0.063492 | 0.038444 | 0.025844 | 0.022042 | 0.017107 | 0.012891 | 0.010528 | 0.006856 | 0.507064 | 9,152 | 67.588287 | 114.95968 | 88.399086 | 0 | 0 | 17.25 | 6 | 60 | 0 | 0 | 54 | 0 | 0 | 0 | 30 | 0 | 0 | 52 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,729.6666 | 1,731.6532 | 1,727.9781 | 2,215.8357 | 2,343.0742 | 2.219446 | 2.217382 | 2.220914 | 1.802486 | 1.721341 | 15 | 8 | 0.875 | 1.731767 | 21.018297 | 13.879083 | 12.514108 | 10.379917 | 8.376405 | 6.028976 | 21.018297 | 13.879083 | 12.514108 | 10.379917 | 8.376405 | 5.828992 | 0.724769 | 0.447712 | 0.284412 | 0.172999 | 0.108784 | 0.067 | 3.823441 | 259.05508 | 23.54348 | 10.463674 | 7.816867 | 8.494871 | 0.577485 | 0.338732 | 0.187455 | 0.107387 | 80.083336 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 29 | 31 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.586207 | -1.647059 | 0.176471 | 454.89359 | 28.375778 | 0 | 0 | 0 | 0 | 0 | 0 | 426.51782 | 35.740719 | 79.172012 | 65.136002 | 9.751966 | 52.503624 | 5.065188 | 0 | 28.375778 | 0 | 179.1483 | 16.638498 | 40.543346 | 9.706819 | 36.484203 | 14.038015 | 34.319988 | 42.897907 | 75.409569 | 127.41508 | 31.029167 | 3.271739 | 16.168497 | 0 | 6.970751 | 405 |
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCCCO | BACE_406 | 1 | Test | 8 | 427.44379 | 4.3906 | 4 | 1 | 8 | 31 | 1 | 1 | 3 | 88.150002 | 83.084999 | 105.5467 | 49.521 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 8 | 1 | 0 | 2 | 2 | 4 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.6017 | 0 | 9.4017 | 0 | 0 | 25.0569 | -2.2798 | 0 | 9.5367 | 1.8617 | 6.2714 | 0 | -0.5569 | 0 | 9.2663 | 0 | 0 | 0 | 0 | 0 | 0 | 6.287 | 0 | 2.7078 | 0 | 0 | 0 | 0 | 13.7273 | 16.3512 | 5.9872 | 0 | 0 | 0 | 29.8568 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.6017 | 0 | 2.3504 | 0 | 0 | 3.1321 | -2.2798 | 0 | 4.7683 | 0.9309 | 1.5678 | 0 | -0.5569 | 0 | 9.2663 | 0 | 0 | 0 | 0 | 0 | 0 | 6.287 | 0 | 2.7078 | 0 | 0 | 0 | 0 | 13.7273 | 16.3512 | 5.9872 | 0 | 0 | 0 | 14.9284 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 158 | 496 | 187 | 447 | 51 | 21.265547 | 1.832512 | 1.985728 | 0.216851 | 2,812 | 6.047312 | 29.022411 | 20 | 3.035359 | 0.229514 | 2,036.9507 | 124.17592 | 160.26256 | 69.5 | 11,569 | 21,709 | 38.089489 | 10 | 11,452 | 39,624 | 181.41936 | 118 | 1,966 | 188 | 47.160782 | 6.26524 | 4.277449 | 808 | 391 | 12.612904 | 1.898023 | 17.015997 | 9.773218 | 7.010758 | 4.960271 | 3.273436 | 1.979016 | 0.548903 | 0.296158 | 0.152408 | 0.080004 | 0.041436 | 0.021053 | 2,325.0667 | 126.26157 | 4.294224 | 180 | 0.888474 | 7 | 4 | 3.111111 | 1.922222 | 1.292222 | 0.92576 | 0.581633 | 0.411958 | 0.330949 | 0.172842 | 0.212121 | 0.086957 | 0.061002 | 0.036966 | 0.02485 | 0.02104 | 0.01572 | 0.01177 | 0.010029 | 0.006648 | 0.480455 | 12,796 | 71.777298 | 124.17592 | 94.399086 | 0 | 0 | 18.25 | 6 | 66 | 0 | 0 | 54 | 0 | 0 | 0 | 34 | 0 | 0 | 56 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2,223.4644 | 2,225.5974 | 2,221.6565 | 2,746.4885 | 2,883.2869 | 2.104542 | 2.102876 | 2.105722 | 1.758997 | 1.689571 | 17 | 9 | 0.888889 | 1.665212 | 22.43251 | 14.879083 | 13.221214 | 10.879917 | 8.729959 | 6.288477 | 22.43251 | 14.879083 | 13.221214 | 10.879917 | 8.729959 | 6.088493 | 0.723629 | 0.450881 | 0.287418 | 0.175483 | 0.110506 | 0.06841 | 4.048278 | 278.18408 | 25.504347 | 11.841005 | 8.973033 | 9.741841 | 0.572486 | 0.333008 | 0.182789 | 0.103149 | 83.083336 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 31 | 33 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.548387 | -1.647059 | 0.176471 | 507.62207 | 28.375778 | 0 | 0 | 0 | 0 | 0 | 0 | 479.24631 | 44.639442 | 79.172012 | 65.136002 | 9.751966 | 52.503624 | 5.065188 | 0 | 28.375778 | 0 | 222.97807 | 16.638498 | 40.543346 | 9.706819 | 36.484203 | 14.038015 | 34.319988 | 51.796631 | 119.23934 | 127.41508 | 31.029167 | 3.271739 | 16.168497 | 0 | 6.970751 | 406 |
Fc1ccc(cc1OCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 | BACE_407 | 1 | Test | 8 | 425.3768 | 3.8232 | 4 | 0 | 8 | 30 | 1 | 1 | 3 | 77.150002 | 89.751999 | 99.549301 | 45.16 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 7 | 1 | 0 | 0 | 2 | 5 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.4642 | 0 | 4.0396 | 0 | 0 | 19.075001 | -2.354 | 0 | 0 | 1.4931 | 4.7909 | 0 | -0.8199 | 0 | 9.0938 | 0 | 0 | 0 | 0 | 0 | 0 | 6.0538 | 0 | 2.539 | 0 | 0 | 0 | 0 | 0 | 16.0874 | 13.5428 | 0 | 0 | 0 | 63.240898 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.4642 | 0 | 1.3465 | 0 | 0 | 2.725 | -2.354 | 0 | 0 | 0.7465 | 0.9582 | 0 | -0.8199 | 0 | 9.0938 | 0 | 0 | 0 | 0 | 0 | 0 | 6.0538 | 0 | 2.539 | 0 | 0 | 0 | 0 | 0 | 16.0874 | 6.7714 | 0 | 0 | 0 | 15.8102 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 156 | 576 | 187 | 478 | 52 | 20.284718 | 1.791045 | 1.966307 | 0.222032 | 2,414 | 5.549425 | 27.83107 | 21 | 2.830868 | 0.21489 | 3,070.5085 | 121.35217 | 151.58711 | 70.5 | 9,941 | 20,716 | 32.119999 | 11 | 9,793 | 42,167 | 160.93333 | 104 | 1,708 | 150 | 62.737377 | 6.173798 | 4.3344 | 684 | 332 | 11.066667 | 1.622222 | 15.948503 | 8.969146 | 6.483662 | 4.621821 | 3.037385 | 1.893232 | 0.531617 | 0.280286 | 0.140949 | 0.073362 | 0.037967 | 0.019518 | 1,939.3667 | 108.71594 | 3.469323 | 180 | 0.840857 | 7.5 | 4.666667 | 3.298611 | 2.175556 | 1.514445 | 1.137914 | 0.747449 | 0.411958 | 0.340949 | 0.152129 | 0.234375 | 0.101449 | 0.063435 | 0.041838 | 0.029124 | 0.024737 | 0.018686 | 0.01177 | 0.011365 | 0.006915 | 0.536779 | 9,945 | 70.685356 | 121.35217 | 92.991013 | 0 | 0 | 19.25 | 6 | 48 | 0 | 0 | 105 | 0 | 0 | 0 | 22 | 0 | 0 | 91 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 63 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,875.8988 | 1,879.41 | 1,872.2977 | 2,723.9302 | 2,946.0176 | 2.257224 | 2.253888 | 2.260235 | 1.637961 | 1.53194 | 15 | 8 | 0.875 | 1.762165 | 21.88854 | 14.289766 | 13.031892 | 10.922125 | 8.61449 | 6.340542 | 21.88854 | 14.289766 | 13.031892 | 10.922125 | 8.61449 | 6.140558 | 0.729618 | 0.446555 | 0.283302 | 0.173367 | 0.107681 | 0.066745 | 3.856257 | 273.4971 | 24.407978 | 10.587288 | 7.69983 | 8.61381 | 0.582839 | 0.343959 | 0.185329 | 0.106701 | 89.75 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 30 | 32 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.566667 | -1.647059 | 0.176471 | 467.69562 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 467.69562 | 44.348953 | 53.953518 | 56.947674 | 19.503931 | 51.036274 | 15.810551 | 0 | 0 | 17.775217 | 208.3195 | 9.751966 | 58.561817 | 27.482035 | 36.484203 | 0 | 25.739992 | 44.061863 | 67.104942 | 138.51161 | 36.094353 | 8.951914 | 7.98017 | 0 | 6.970751 | 407 |
FC(F)CCOc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 | BACE_408 | 1 | Test | 8 | 425.3768 | 3.9234 | 4 | 0 | 8 | 30 | 1 | 1 | 3 | 77.150002 | 89.917999 | 98.879501 | 45.16 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 8 | 2 | 0 | 0 | 2 | 4 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.5036 | 0 | 2.394 | 0 | 0 | 23.7178 | -3.8534 | 0 | 0 | 1.6229 | 5.4588 | 0 | -0.7071 | 0 | 9.1332 | 0 | 0 | 0 | 0 | 0 | 0 | 6.1299 | 0 | 2.5928 | 0 | 0 | 0 | 0 | 0 | 16.141199 | 13.7192 | 0 | 0 | 0 | 61.207901 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.5036 | 0 | 1.197 | 0 | 0 | 2.9647 | -1.9267 | 0 | 0 | 0.8115 | 1.3647 | 0 | -0.7071 | 0 | 9.1332 | 0 | 0 | 0 | 0 | 0 | 0 | 6.1299 | 0 | 2.5928 | 0 | 0 | 0 | 0 | 0 | 16.141199 | 6.8596 | 0 | 0 | 0 | 15.302 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 156 | 574 | 185 | 473 | 50 | 20.284718 | 1.791045 | 1.966307 | 0.222032 | 2,479 | 5.698851 | 27.991613 | 21 | 2.814527 | 0.221794 | 3,161.8672 | 120.17404 | 152.36615 | 70.5 | 10,219 | 21,487 | 33.471111 | 11 | 10,093 | 44,215 | 165.26666 | 107 | 1,748 | 142 | 59.505821 | 6.156028 | 4.319638 | 690 | 335 | 11.166667 | 1.755556 | 15.896096 | 8.94092 | 6.503517 | 4.593918 | 3.038478 | 1.856666 | 0.52987 | 0.279404 | 0.141381 | 0.07531 | 0.038955 | 0.019964 | 2,020.2 | 113.24725 | 3.820951 | 180 | 0.838211 | 8 | 4.222222 | 3.236111 | 1.922222 | 1.403333 | 0.966576 | 0.604202 | 0.444712 | 0.365324 | 0.230083 | 0.25 | 0.091787 | 0.064722 | 0.037691 | 0.027516 | 0.021968 | 0.016783 | 0.013476 | 0.011416 | 0.008849 | 0.53536 | 10,548 | 70.078697 | 120.17404 | 92.467331 | 0 | 0 | 19.25 | 6 | 48 | 0 | 0 | 114 | 0 | 0 | 0 | 22 | 0 | 0 | 98 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 64 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,938.5654 | 1,942.1368 | 1,934.9934 | 2,834.7209 | 3,066.4646 | 2.184226 | 2.181073 | 2.186926 | 1.570287 | 1.467863 | 15 | 8 | 0.875 | 1.715143 | 21.88854 | 14.234925 | 13.343076 | 10.557837 | 8.508167 | 6.082883 | 21.88854 | 14.234925 | 13.343076 | 10.557837 | 8.508167 | 5.882899 | 0.729618 | 0.444841 | 0.290067 | 0.173079 | 0.109079 | 0.066851 | 3.893877 | 270.35693 | 24.407978 | 10.587288 | 8.331165 | 8.61381 | 0.586569 | 0.332099 | 0.180051 | 0.102406 | 89.916664 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 30 | 32 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.566667 | -1.647059 | 0.176471 | 467.78195 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 467.78195 | 36.904675 | 67.116348 | 56.947674 | 19.503931 | 51.036274 | 10.130377 | 36.036945 | 0 | 0 | 190.10574 | 9.751966 | 40.543346 | 45.743763 | 36.484203 | 0 | 34.319988 | 39.612499 | 71.554306 | 124.97979 | 41.986607 | 3.271739 | 12.563008 | 0 | 6.970751 | 408 |
Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 | BACE_431 | 1 | Test | 7.920819 | 417.3811 | 3.771 | 4 | 0 | 6 | 30 | 1 | 1 | 3 | 77.150002 | 85.751999 | 96.544899 | 45.759998 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 7 | 1 | 0 | 2 | 2 | 5 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6.8654 | 0 | 1.3557 | 0 | 0 | 18.9821 | -2.3482 | 0 | 7.8028 | 1.4921 | 4.803 | 0 | -0.8092 | 0 | 9.0576 | 0 | 0 | 0 | 0 | 0 | 0 | 6.0172 | 0 | 2.5326 | 0 | 0 | 0 | 0 | 0 | 15.9791 | 13.0545 | 0 | 0 | 0 | 46.291801 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.4327 | 0 | 1.3557 | 0 | 0 | 2.7117 | -2.3482 | 0 | 3.9014 | 0.746 | 0.9606 | 0 | -0.8092 | 0 | 9.0576 | 0 | 0 | 0 | 0 | 0 | 0 | 6.0172 | 0 | 2.5326 | 0 | 0 | 0 | 0 | 0 | 15.9791 | 6.5272 | 0 | 0 | 0 | 15.4306 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 156 | 552 | 187 | 478 | 52 | 20.284718 | 1.791045 | 1.966307 | 0.222032 | 2,414 | 5.549425 | 27.83107 | 21 | 2.830868 | 0.21489 | 3,070.5085 | 121.35217 | 151.58711 | 69 | 9,941 | 20,140 | 32.119999 | 11 | 9,793 | 39,769 | 160.93333 | 104 | 1,708 | 150 | 54.274883 | 6.249231 | 4.316618 | 684 | 332 | 11.066667 | 1.622222 | 16.156324 | 8.759563 | 6.376878 | 4.561009 | 3.011278 | 1.861268 | 0.538544 | 0.273736 | 0.138628 | 0.072397 | 0.037641 | 0.019188 | 1,939.3667 | 108.71594 | 3.469323 | 180 | 0.821209 | 7.5 | 4.666667 | 3.298611 | 2.175556 | 1.514445 | 1.137914 | 0.747449 | 0.411958 | 0.340949 | 0.152129 | 0.234375 | 0.101449 | 0.063435 | 0.041838 | 0.029124 | 0.024737 | 0.018686 | 0.01177 | 0.011365 | 0.006915 | 0.536779 | 9,945 | 70.685356 | 121.35217 | 92.229218 | 0 | 0 | 18.5 | 6 | 57 | 0 | 0 | 75 | 0 | 0 | 0 | 28 | 0 | 0 | 73 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 26 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,852.2322 | 1,854.9514 | 1,849.5256 | 2,475.6094 | 2,642.0405 | 2.278637 | 2.275976 | 2.280997 | 1.792085 | 1.698578 | 15 | 8 | 0.875 | 1.762165 | 21.88854 | 14.289766 | 13.031892 | 10.922125 | 8.61449 | 6.340542 | 21.88854 | 14.289766 | 13.031892 | 10.922125 | 8.61449 | 6.140558 | 0.729618 | 0.446555 | 0.283302 | 0.173367 | 0.107681 | 0.066745 | 3.856257 | 273.4971 | 24.465645 | 10.626605 | 7.731903 | 8.666225 | 0.582839 | 0.343959 | 0.185329 | 0.106701 | 85.75 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 30 | 32 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.566667 | -1.647059 | 0.176471 | 463.38596 | 28.375778 | 0 | 0 | 0 | 0 | 0 | 0 | 435.01016 | 43.984993 | 53.953518 | 66.951912 | 9.751966 | 52.503624 | 10.745362 | 0 | 28.375778 | 17.775217 | 179.34358 | 10.004236 | 40.543346 | 27.482035 | 36.484203 | 14.337763 | 25.739992 | 39.612499 | 59.351048 | 154.89883 | 36.709339 | 3.271739 | 7.98017 | 0 | 6.970751 | 431 |
Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1 | BACE_439 | 1 | Test | 7.886056 | 431.40771 | 4.2572 | 4 | 0 | 6 | 31 | 1 | 1 | 3 | 77.150002 | 87.418999 | 101.5861 | 47.595001 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 6 | 1 | 0 | 2 | 2 | 6 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10.588 | 0 | 1.3737 | 0 | 0 | 17.011801 | -2.2963 | 0 | 7.9044 | 1.5985 | 6.8478 | 0 | -0.7642 | 0 | 9.1813 | 0 | 0 | 0 | 0 | 0 | 0 | 6.1586 | 0 | 2.5948 | 0 | 0 | 0 | 0 | 0 | 16.2756 | 13.4375 | 0 | 0 | 0 | 47.3694 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.5293 | 0 | 1.3737 | 0 | 0 | 2.8353 | -2.2963 | 0 | 3.9522 | 0.7992 | 1.1413 | 0 | -0.7642 | 0 | 9.1813 | 0 | 0 | 0 | 0 | 0 | 0 | 6.1586 | 0 | 2.5948 | 0 | 0 | 0 | 0 | 0 | 16.2756 | 6.7187 | 0 | 0 | 0 | 15.7898 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 162 | 560 | 195 | 489 | 55 | 20.690184 | 1.763033 | 1.949212 | 0.219846 | 2,590 | 5.569892 | 28.483606 | 22 | 2.840461 | 0.208036 | 8,817.9961 | 128.2534 | 157.83661 | 71 | 10,627 | 21,169 | 32.505722 | 12 | 10,440 | 41,040 | 167.09677 | 108 | 1,832 | 158 | 55.832954 | 6.313347 | 4.322451 | 707 | 344 | 11.096774 | 1.608741 | 17.078974 | 9.17623 | 6.832777 | 4.87251 | 3.236363 | 2.05655 | 0.550935 | 0.278068 | 0.14235 | 0.073826 | 0.038528 | 0.019775 | 2,086.3999 | 113.3009 | 3.464549 | 180 | 0.834203 | 8 | 5.111111 | 3.486111 | 2.526667 | 1.681111 | 1.315918 | 0.794324 | 0.481749 | 0.360949 | 0.168658 | 0.242424 | 0.106481 | 0.063384 | 0.045939 | 0.029493 | 0.025802 | 0.018053 | 0.01302 | 0.01128 | 0.007333 | 0.555877 | 10,653 | 74.012466 | 128.2534 | 94.693314 | 0 | 0 | 19 | 6 | 57 | 0 | 0 | 75 | 0 | 0 | 0 | 28 | 0 | 0 | 73 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 26 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,994.2976 | 1,997.1129 | 1,991.4984 | 2,640.2813 | 2,812.6956 | 2.326972 | 2.324355 | 2.32929 | 1.844703 | 1.751324 | 15 | 8 | 0.875 | 1.803937 | 22.758783 | 14.70045 | 13.561583 | 11.391747 | 8.914882 | 6.842408 | 22.758783 | 14.70045 | 13.561583 | 11.391747 | 8.914882 | 6.642424 | 0.734154 | 0.445468 | 0.282533 | 0.172602 | 0.10613 | 0.067095 | 3.876695 | 289.15582 | 25.446608 | 10.833533 | 7.681561 | 8.892796 | 0.586772 | 0.348823 | 0.18658 | 0.110591 | 87.416664 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 31 | 33 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.548387 | -1.647059 | 0.176471 | 489.58307 | 28.375778 | 0 | 0 | 0 | 0 | 0 | 0 | 461.20728 | 54.00568 | 45.37352 | 66.951912 | 9.751966 | 55.149879 | 10.745362 | 0 | 28.375778 | 17.775217 | 201.45375 | 10.004236 | 40.543346 | 27.482035 | 36.484203 | 14.337763 | 25.739992 | 43.699444 | 92.223373 | 144.13667 | 36.709339 | 3.271739 | 7.98017 | 0 | 6.970751 | 439 |
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\COC | BACE_500 | 1 | Test | 7.69897 | 401.40649 | 3.4429 | 4 | 0 | 7 | 29 | 1 | 1 | 3 | 77.150002 | 77.084999 | 105.2898 | 46.694 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 2 | 8 | 1 | 0 | 0 | 2 | 4 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.3226 | 0 | 2.0056 | 0 | 7.3589 | 25.5306 | -2.2706 | 0 | 0 | 1.9131 | 6.6999 | 0 | -0.5062 | 0 | 9.2546 | 0 | 0 | 0 | 0 | 0 | 0 | 6.3034 | 0 | 2.7248 | 0 | 0 | 0 | 0 | 0 | 16.3111 | 13.7792 | 0 | 0 | 0 | 29.7542 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.6613 | 0 | 2.0056 | 0 | 3.6795 | 3.1913 | -2.2706 | 0 | 0 | 0.9565 | 1.675 | 0 | -0.5062 | 0 | 9.2546 | 0 | 0 | 0 | 0 | 0 | 0 | 6.3034 | 0 | 2.7248 | 0 | 0 | 0 | 0 | 0 | 16.3111 | 6.8896 | 0 | 0 | 0 | 14.8771 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 150 | 482 | 179 | 430 | 49 | 19.879253 | 1.82199 | 1.984747 | 0.224285 | 2,230 | 5.492611 | 27.135094 | 20 | 2.805368 | 0.220811 | 1,369.9219 | 114.95968 | 145.19191 | 65.5 | 9,217 | 17,571 | 30.846611 | 10 | 9,102 | 32,505 | 153.79311 | 99 | 1,589 | 148 | 41.986469 | 6.215013 | 4.265472 | 661 | 320 | 11.034483 | 1.633769 | 16.01041 | 8.830617 | 6.430637 | 4.614904 | 3.109491 | 1.902745 | 0.552083 | 0.284859 | 0.146151 | 0.076915 | 0.040383 | 0.020682 | 1,799.3334 | 104.23069 | 3.508567 | 180 | 0.854576 | 7 | 4 | 3.111111 | 1.922222 | 1.292222 | 0.92576 | 0.581633 | 0.399613 | 0.305324 | 0.143967 | 0.225806 | 0.090909 | 0.063492 | 0.038444 | 0.025844 | 0.022042 | 0.017107 | 0.012891 | 0.010528 | 0.006856 | 0.507064 | 9,152 | 67.588287 | 114.95968 | 88.899086 | 0 | 0 | 17.25 | 6 | 57 | 0 | 0 | 54 | 0 | 0 | 0 | 28 | 0 | 0 | 50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1,732.8334 | 1,734.9012 | 1,731.184 | 2,283.97 | 2,424.2446 | 2.214149 | 2.212015 | 2.215573 | 1.758137 | 1.673381 | 15 | 8 | 0.875 | 1.731767 | 21.018297 | 13.879083 | 12.514108 | 10.379917 | 8.376405 | 6.028976 | 21.018297 | 13.879083 | 12.514108 | 10.379917 | 8.376405 | 5.828992 | 0.724769 | 0.447712 | 0.284412 | 0.172999 | 0.108784 | 0.067 | 3.823441 | 259.05511 | 23.54348 | 10.463674 | 7.816867 | 8.494871 | 0.577485 | 0.338732 | 0.187455 | 0.107387 | 77.083336 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 29 | 31 | 17 | 17 | 3 | 3 | 1 | 1 | 31 | -14 | 0.586207 | -1.647059 | 0.176471 | 471.65625 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 471.65625 | 44.863911 | 79.99939 | 66.951912 | 9.751966 | 53.393822 | 5.065188 | 0 | 0 | 0 | 211.63005 | 10.004236 | 40.543346 | 9.706819 | 36.484203 | 0 | 60.357277 | 24.810053 | 77.234436 | 163.26404 | 31.029167 | 3.271739 | 7.98017 | 0 | 6.970751 | 500 |
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