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* 3D customs Descriptors * some cleanups * adding tests for 3D customs * add WHIM out files * fix div by zeros and add testcases * add back a local change * run clang-format * switch to fabs
365 lines
41 KiB
Plaintext
365 lines
41 KiB
Plaintext
ZINC02640583,2.879,1.93,0.087,0.588,0.394,0.177,0.177,0.188,0.192,0.033,0.028,4.896,5.976,0.181,0.473,0.084,11.356
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ZINC03815185,2.908,0.779,0.016,0.785,0.21,0.177,0.18,0.18,0.049,0.032,0,3.703,2.324,0.179,0.678,0.027,6.063
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ZINC00020644,1.714,1.55,0.032,0.52,0.47,0.167,0.168,0.181,0.021,0.056,0,3.295,2.76,0.172,0.485,0.026,6.14
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ZINC03815359,2.004,1.084,0.762,0.52,0.282,0.167,0.177,0.167,0.062,0.015,0.034,3.85,4.525,0.17,0.281,0.037,10.031
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ZINC03815360,2.352,2.336,0.265,0.475,0.472,0.167,0.174,0.174,0.025,0.206,0.191,4.954,6.738,0.171,0.42,0.141,13.149
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ZINC03815361,3.229,1.421,0.259,0.658,0.289,0.169,0.163,0.176,0.068,0.02,0.098,4.909,5.793,0.169,0.487,0.062,11.89
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ZINC00007282,1.761,1.276,0.183,0.547,0.396,0.167,0.174,0.174,0.039,0.025,0.002,3.22,2.802,0.171,0.415,0.022,6.433
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ZINC03815304,1.903,1.784,0.672,0.437,0.409,0.165,0.179,0.176,0.053,0.024,0.044,4.36,5.875,0.173,0.269,0.04,12.518
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ZINC03815353,2.177,1.822,0.229,0.515,0.431,0.163,0.165,0.165,0.093,0.069,0.002,4.228,4.881,0.164,0.419,0.054,10.017
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ZINC00118570,2.946,1.699,0.214,0.606,0.35,0.172,0.172,0.174,0.055,0.077,0.151,4.859,6.001,0.173,0.434,0.094,11.933
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ZINC03815331,3.999,1.118,0.124,0.763,0.213,0.174,0.174,0.174,0.078,0.114,0.017,5.24,5.103,0.174,0.645,0.07,10.896
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ZINC00151213,2.189,1.467,0.065,0.588,0.394,0.174,0.172,0.174,0.031,0.081,0.001,3.721,3.448,0.174,0.474,0.038,7.376
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ZINC00151212,2.405,0.987,0.87,0.564,0.232,0.181,0.172,0.174,0.061,0.027,0.049,4.262,5.323,0.176,0.347,0.046,11.649
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ZINC03815388,2.93,1.874,0.285,0.576,0.368,0.171,0.171,0.177,0.039,0.166,0.283,5.089,6.861,0.173,0.416,0.163,13.517
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ZINC00104621,3.16,1.735,0.269,0.612,0.336,0.17,0.17,0.212,0.056,0.049,0.145,5.164,6.801,0.183,0.422,0.083,13.442
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ZINC03815229,2.02,0.711,0.074,0.72,0.253,0.176,0.176,0.193,0.024,0.026,0.001,2.805,1.639,0.182,0.58,0.017,4.551
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ZINC03815317,1.918,1.157,0.343,0.561,0.338,0.163,0.16,0.158,0.173,0.14,0.001,3.418,3.274,0.16,0.349,0.105,7.453
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ZINC03815247,2.169,0.888,0.365,0.634,0.26,0.176,0.174,0.174,0.178,0.007,0.018,3.423,3.043,0.175,0.451,0.068,7.17
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ZINC03815375,2.282,0.706,0.627,0.631,0.195,0.183,0.174,0.176,0.088,0.019,0.01,3.615,3.483,0.178,0.447,0.039,8.107
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ZINC03815227,3.94,0.59,0.083,0.854,0.128,0.174,0.176,0.174,0.106,0.009,0.002,4.613,2.701,0.175,0.781,0.039,7.506
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ZINC03815274,2.667,2.023,0.244,0.54,0.41,0.171,0.169,0.181,0.033,0.095,0.219,4.935,6.543,0.174,0.426,0.116,12.796
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ZINC00151214,2.189,1.499,0.042,0.587,0.402,0.174,0.174,0.196,0.03,0.087,0,3.73,3.437,0.181,0.483,0.039,7.307
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ZINC03815386,3.274,0.73,0.02,0.814,0.181,0.176,0.176,0.174,0.063,0.048,0,4.023,2.469,0.175,0.72,0.037,6.539
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ZINC00118581,2.209,1.277,0.212,0.597,0.345,0.172,0.185,0.177,0.038,0.054,0.005,3.698,3.561,0.178,0.414,0.032,7.858
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ZINC03815055,2.335,1.408,0.125,0.604,0.364,0.171,0.171,0.174,0.052,0.024,0.001,3.869,3.757,0.172,0.451,0.026,8.038
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ZINC03815319,2.618,1.537,0.232,0.597,0.35,0.165,0.155,0.158,0.074,0.2,0.001,4.387,4.988,0.159,0.421,0.092,10.308
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ZINC03815146,3.084,1.904,0.124,0.603,0.372,0.173,0.179,0.183,0.137,0.024,0.069,5.112,6.489,0.178,0.464,0.077,12.328
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ZINC03815314,2.398,0.433,0.229,0.784,0.142,0.158,0.158,0.155,0.106,0.002,0.004,3.06,1.687,0.157,0.675,0.038,4.985
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ZINC03815398,2.254,2.243,0.627,0.44,0.438,0.165,0.168,0.163,0.041,0.146,0.031,5.123,7.873,0.165,0.316,0.073,16.164
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ZINC00104782,6.053,1.666,0.021,0.782,0.215,0.168,0.174,0.181,0.112,0.199,0,7.741,10.249,0.174,0.673,0.104,18.205
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ZINC03815197,2.488,0.886,0.272,0.682,0.243,0.174,0.206,0.176,0.036,0.029,0.028,3.646,3.122,0.185,0.524,0.031,7.367
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ZINC03815196,2.686,2.519,0.203,0.497,0.466,0.168,0.17,0.227,0.101,0.033,0.324,5.407,7.82,0.186,0.444,0.153,14.597
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ZINC03815276,2.572,1.728,0.104,0.584,0.392,0.177,0.177,0.202,0.042,0.07,0.067,4.404,4.892,0.185,0.465,0.06,9.758
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ZINC03815251,5.82,1.203,0.167,0.809,0.167,0.181,0.181,0.196,0.113,0.088,0.013,7.189,8.173,0.186,0.714,0.071,16.531
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ZINC03815264,1.091,0.486,0.147,0.633,0.282,0.178,0.178,0.185,0.01,0.008,0.004,1.725,0.763,0.18,0.449,0.007,2.565
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ZINC03815202,2.846,1.647,0.173,0.61,0.353,0.17,0.17,0.183,0.064,0.026,0.028,4.666,5.464,0.174,0.444,0.039,10.94
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ZINC03815203,3.12,0.187,0.064,0.926,0.055,0.174,0.193,0.174,0.05,0.001,0.003,3.371,0.795,0.18,0.888,0.018,4.203
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ZINC03815236,2.097,1.984,0.104,0.501,0.474,0.176,0.179,0.221,0.087,0.029,0.047,4.185,4.585,0.191,0.463,0.054,9.203
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ZINC03815238,2.865,1.19,0.158,0.68,0.283,0.152,0.16,0.152,0.062,0.083,0,4.213,4.049,0.154,0.52,0.048,8.798
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ZINC03815259,2.162,1.257,0.026,0.628,0.365,0.154,0.162,0.157,0.028,0.053,0,3.444,2.806,0.158,0.489,0.027,6.321
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ZINC03815280,4.337,0.837,0.536,0.76,0.147,0.168,0.168,0.168,0.176,0.005,0.057,5.709,6.401,0.168,0.639,0.079,14.054
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ZINC03815242,2.927,0.472,0.043,0.851,0.137,0.176,0.183,0.179,0.043,0.015,0,3.441,1.526,0.179,0.776,0.02,5.026
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ZINC03813425,2.815,0.81,0.257,0.725,0.209,0.154,0.171,0.168,0.049,0.041,0.004,3.883,3.213,0.164,0.588,0.031,7.682
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ZINC03815036,1.992,0.958,0.459,0.584,0.281,0.171,0.171,0.173,0.038,0.029,0.008,3.409,3.261,0.171,0.377,0.025,7.545
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ZINC03815410,2.345,1.175,1.125,0.505,0.253,0.165,0.174,0.158,0.635,0.029,0.01,4.645,6.715,0.166,0.257,0.225,14.46
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ZINC03815046,2.883,0.592,0.444,0.736,0.151,0.169,0.174,0.169,0.072,0.017,0.004,3.918,3.249,0.171,0.603,0.031,7.924
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ZINC03815035,1.348,0.452,0.018,0.742,0.249,0.16,0.16,0.158,0.171,0.005,0,1.818,0.641,0.16,0.612,0.059,2.471
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ZINC03815034,2.588,1.249,0.131,0.652,0.315,0.169,0.177,0.171,0.05,0.031,0.002,3.968,3.733,0.173,0.478,0.028,8.123
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ZINC03815282,3.074,2.241,0.056,0.572,0.417,0.174,0.176,0.193,0.082,0.082,0.012,5.372,7.189,0.181,0.484,0.058,12.947
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ZINC03815281,2.686,1.551,0.534,0.563,0.325,0.154,0.163,0.181,0.084,0.209,0.006,4.77,6.427,0.165,0.344,0.099,13.422
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ZINC03813430,2,1.907,0.863,0.419,0.4,0.163,0.155,0.168,0.807,0.017,0.06,4.77,7.185,0.162,0.229,0.295,15.246
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ZINC03813429,2.609,1.555,0.173,0.602,0.358,0.155,0.174,0.155,0.074,0.211,0.001,4.337,4.779,0.161,0.44,0.095,9.82
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ZINC03815072,2.822,0.71,0.132,0.77,0.194,0.169,0.171,0.171,0.066,0.011,0.001,3.663,2.467,0.171,0.656,0.026,6.393
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ZINC03815374,3.484,1.587,0.246,0.655,0.298,0.174,0.176,0.176,0.064,0.165,0.041,5.317,6.775,0.175,0.483,0.09,13.451
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ZINC03815124,2.226,0.903,0.194,0.67,0.272,0.16,0.156,0.153,0.097,0.02,0.001,3.323,2.616,0.156,0.505,0.039,6.328
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ZINC03815338,2.795,0.421,0.026,0.862,0.13,0.173,0.176,0.171,0.052,0.004,0,3.242,1.26,0.173,0.793,0.019,4.533
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ZINC03815176,3.558,1.92,0.383,0.607,0.328,0.156,0.156,0.164,0.097,0.061,0.01,5.861,8.93,0.159,0.411,0.056,17.407
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ZINC03815111,2.691,1.399,0.855,0.544,0.283,0.171,0.169,0.171,0.085,0.026,0.043,4.945,7.264,0.171,0.316,0.051,15.431
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ZINC03815343,2.266,1.737,0.767,0.475,0.364,0.169,0.169,0.171,0.066,0.062,0.016,4.77,7.007,0.17,0.259,0.048,14.796
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ZINC03815100,1.851,1.111,0.041,0.617,0.37,0.174,0.174,0.172,0.05,0.011,0.001,3.002,2.176,0.174,0.48,0.02,5.262
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ZINC03815101,3.828,0.527,0.073,0.865,0.119,0.172,0.172,0.181,0.114,0.004,0.008,4.427,2.332,0.175,0.797,0.042,6.906
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ZINC00020362,3.365,1.704,0.114,0.649,0.329,0.167,0.181,0.19,0.058,0.036,0.017,5.184,6.314,0.179,0.474,0.037,12.153
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ZINC03815232,3.322,1.758,0.293,0.618,0.327,0.176,0.168,0.183,0.121,0.015,0.112,5.373,7.327,0.176,0.428,0.083,14.409
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ZINC03815097,3.384,1.472,0.547,0.626,0.272,0.151,0.164,0.15,0.063,0.041,0.007,5.403,7.638,0.155,0.44,0.037,15.765
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ZINC03815163,1.466,0.442,0.032,0.756,0.228,0.168,0.17,0.17,0.106,0.003,0,1.94,0.709,0.169,0.633,0.036,2.67
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ZINC03815162,2.46,1.799,0.071,0.568,0.415,0.167,0.165,0.172,0.035,0.036,0,4.329,4.725,0.168,0.475,0.024,9.367
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ZINC03815029,2.55,1.042,0.251,0.664,0.271,0.167,0.174,0.167,0.026,0.053,0.005,3.842,3.556,0.169,0.495,0.028,8.063
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ZINC03815037,2.328,2.083,1.135,0.42,0.376,0.156,0.176,0.153,0.031,0.34,0.018,5.546,9.857,0.161,0.193,0.13,20.908
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ZINC03815038,1.127,1.065,0.393,0.436,0.412,0.174,0.171,0.19,0.006,0.028,0.051,2.585,2.061,0.178,0.272,0.028,5.118
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ZINC03815411,3.589,2.708,0.148,0.557,0.42,0.167,0.171,0.19,0.084,0.162,0.022,6.445,10.649,0.176,0.466,0.089,18.53
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ZINC03815159,1.973,1.158,0.605,0.528,0.31,0.169,0.171,0.169,0.096,0.01,0.027,3.736,4.18,0.17,0.292,0.044,9.299
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ZINC03815042,3.068,1.232,0.437,0.648,0.26,0.153,0.16,0.153,0.081,0.06,0.004,4.736,5.657,0.155,0.472,0.048,12.044
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ZINC03815286,4.579,0.992,0.098,0.808,0.175,0.167,0.174,0.171,0.069,0.059,0.002,5.67,5.09,0.17,0.712,0.043,11.204
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ZINC03815284,4.701,1.248,0.011,0.789,0.209,0.155,0.159,0.163,0.1,0.055,0,5.96,5.931,0.159,0.683,0.052,11.957
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ZINC03815144,2.133,0.653,0.093,0.741,0.227,0.168,0.168,0.176,0.1,0.004,0.001,2.879,1.652,0.17,0.611,0.035,4.661
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ZINC03815183,4.953,0.591,0.114,0.875,0.104,0.167,0.174,0.202,0.091,0.009,0.021,5.658,3.558,0.18,0.813,0.041,9.55
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ZINC03813424,3.056,1.074,0.115,0.72,0.253,0.16,0.16,0.154,0.078,0.039,0,4.244,3.755,0.158,0.58,0.039,8.376
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ZINC03815137,3.909,1.156,0.139,0.751,0.222,0.169,0.174,0.202,0.077,0.018,0.161,5.204,5.223,0.181,0.627,0.086,11.056
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ZINC02391776,2.808,0.619,0.324,0.749,0.165,0.167,0.167,0.168,0.094,0.007,0.002,3.751,2.848,0.167,0.623,0.035,7.162
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ZINC03815060,3.099,1.945,0.475,0.562,0.352,0.161,0.161,0.151,0.344,0.041,0.003,5.518,8.42,0.158,0.371,0.129,16.799
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ZINC03815140,2.942,1.483,0.011,0.663,0.334,0.165,0.167,0.167,0.045,0.03,0,4.437,4.414,0.167,0.496,0.025,8.901
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ZINC03815138,2.145,1.604,0.382,0.519,0.388,0.177,0.171,0.181,0.128,0.015,0.051,4.131,4.871,0.177,0.361,0.065,10.315
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ZINC03815143,2.906,2.685,0.25,0.497,0.46,0.171,0.166,0.178,0.081,0.032,0.188,5.841,9.2,0.171,0.436,0.1,16.994
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ZINC03815070,4.574,0.444,0.136,0.888,0.086,0.183,0.17,0.179,0.093,0.003,0.026,5.154,2.711,0.177,0.831,0.041,8.14
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ZINC03815320,3.338,1.151,0.257,0.703,0.243,0.168,0.17,0.193,0.099,0.008,0.111,4.746,4.995,0.177,0.555,0.073,10.727
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ZINC03815069,2.961,1.207,0.044,0.703,0.287,0.168,0.176,0.179,0.05,0.019,0,4.212,3.759,0.174,0.554,0.023,8.129
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ZINC03815332,3.213,1.332,0.665,0.617,0.256,0.168,0.168,0.168,0.145,0.012,0.025,5.211,7.305,0.168,0.425,0.06,15.365
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ZINC03815248,2.496,1.212,0.384,0.61,0.296,0.177,0.167,0.168,0.038,0.03,0.004,4.091,4.447,0.171,0.415,0.024,9.698
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ZINC03815373,2.606,1.88,0.397,0.534,0.385,0.159,0.171,0.157,0.029,1.26,0.004,4.884,6.683,0.162,0.378,0.431,13.514
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ZINC03815118,3.316,0.647,0.112,0.814,0.159,0.168,0.183,0.179,0.06,0.005,0.004,4.075,2.589,0.177,0.721,0.023,6.904
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ZINC03815117,4.26,0.441,0.142,0.88,0.091,0.176,0.17,0.176,0.06,0.014,0.004,4.842,2.545,0.174,0.819,0.026,7.655
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ZINC03815121,3.478,1.266,0.981,0.608,0.221,0.149,0.163,0.158,0.059,0.082,0.028,5.725,9.056,0.157,0.411,0.056,19.099
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ZINC03815335,8.09,2.232,0.242,0.766,0.211,0.171,0.171,0.196,0.293,0.147,0.031,10.564,20.556,0.179,0.649,0.157,35.495
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ZINC03815266,2.839,1.576,0.204,0.615,0.341,0.171,0.162,0.166,0.059,0.023,0.004,4.619,5.376,0.166,0.434,0.029,10.907
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ZINC03815125,4.054,1.013,0.837,0.687,0.172,0.157,0.161,0.188,0.095,0.012,0.075,5.904,8.348,0.168,0.53,0.061,17.69
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ZINC03815328,2.447,2.098,0.102,0.527,0.451,0.163,0.165,0.169,0.017,0.304,0.001,4.647,5.597,0.166,0.467,0.107,10.768
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ZINC03815136,5.175,1.556,0.155,0.751,0.226,0.171,0.171,0.201,0.162,0.018,0.029,6.886,9.097,0.18,0.627,0.07,17.232
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ZINC03815141,3.274,2.645,0.343,0.523,0.422,0.162,0.162,0.188,0.209,0.026,0.237,6.262,10.691,0.171,0.418,0.157,19.926
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ZINC03815033,2.213,1.544,0.212,0.558,0.389,0.169,0.15,0.152,0.503,0.01,0.001,3.97,4.215,0.157,0.42,0.171,8.911
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|
ZINC00116727,5.557,2.041,0.6,0.678,0.249,0.164,0.162,0.174,0.332,0.023,0.379,8.197,15.899,0.167,0.517,0.245,30.901
|
|
ZINC03815406,10.192,1.464,0.088,0.868,0.125,0.169,0.174,0.196,0.331,0.108,0.032,11.744,15.951,0.179,0.802,0.157,29.011
|
|
ZINC00020363,4.245,1.635,0.035,0.718,0.276,0.165,0.165,0.165,0.079,0.06,0,5.914,7.143,0.165,0.577,0.046,13.298
|
|
ZINC02391785,3.683,0.608,0.018,0.855,0.141,0.163,0.165,0.165,0.076,0.005,0,4.308,2.315,0.164,0.782,0.027,6.663
|
|
ZINC03815357,10.144,1.468,0.091,0.867,0.125,0.171,0.174,0.19,0.325,0.109,0.033,11.703,15.946,0.178,0.8,0.156,28.998
|
|
ZINC03815080,2.52,1.589,0.037,0.608,0.383,0.164,0.186,0.168,0.026,0.073,0,4.146,4.156,0.172,0.487,0.033,8.451
|
|
ZINC03813428,8.891,2.668,0.674,0.727,0.218,0.165,0.154,0.193,0.785,0.088,0.123,12.232,31.509,0.17,0.59,0.332,59.726
|
|
ZINC03815079,3.157,0.995,0.01,0.758,0.239,0.166,0.166,0.164,0.22,0.007,0,4.163,3.185,0.165,0.638,0.076,7.381
|
|
ZINC00118594,2.841,2.212,0.029,0.559,0.435,0.179,0.168,0.17,0.088,0.04,0,5.082,6.43,0.172,0.491,0.043,11.694
|
|
ZINC03815027,2.397,1.1,0.032,0.679,0.312,0.163,0.188,0.167,0.026,0.049,0,3.528,2.747,0.172,0.519,0.025,6.359
|
|
ZINC03813434,2.237,1.431,1.122,0.467,0.299,0.151,0.151,0.161,0.133,0.091,0.01,4.79,7.316,0.154,0.2,0.078,15.697
|
|
ZINC03815393,10.498,1.466,0.066,0.873,0.122,0.169,0.19,0.279,0.36,0.104,0.02,12.03,16.176,0.208,0.809,0.161,29.219
|
|
ZINC03815187,3.292,1.676,0.058,0.655,0.333,0.164,0.164,0.162,0.047,0.036,0,5.027,5.808,0.163,0.483,0.028,11.157
|
|
ZINC03815190,2.749,1.497,0.089,0.634,0.345,0.166,0.162,0.162,0.038,0.018,0,4.335,4.493,0.163,0.469,0.019,9.194
|
|
ZINC00600292,5.798,3.73,0.41,0.583,0.375,0.178,0.164,0.168,0.371,0.065,0.25,9.938,25.529,0.17,0.438,0.229,44.327
|
|
ZINC03815041,4.248,1.74,1.196,0.591,0.242,0.15,0.16,0.19,0.094,0.046,0.483,7.185,14.557,0.166,0.387,0.208,30.586
|
|
ZINC03815212,8.467,2.311,0.161,0.774,0.211,0.169,0.171,0.208,0.557,0.055,0.021,10.939,21.302,0.182,0.661,0.211,35.387
|
|
ZINC03815031,5.293,3.469,0.45,0.575,0.377,0.164,0.162,0.201,0.232,0.077,0.103,9.212,22.302,0.175,0.427,0.137,39.771
|
|
ZINC03815045,3.507,3.041,0.551,0.494,0.428,0.15,0.163,0.163,0.032,0.347,0.02,7.1,14.278,0.158,0.384,0.133,27.261
|
|
ZINC03815292,3.83,0.893,0.423,0.744,0.173,0.161,0.16,0.166,0.06,0.018,0.005,5.146,5.417,0.162,0.616,0.028,12.009
|
|
ZINC00601499,5.481,0.777,0.182,0.851,0.121,0.166,0.171,0.178,0.057,0.018,0.011,6.441,5.399,0.171,0.777,0.029,12.614
|
|
ZINC03815206,4.754,2.084,0.551,0.643,0.282,0.176,0.165,0.169,0.305,0.026,0.033,7.39,13.679,0.17,0.465,0.122,26.531
|
|
ZINC01386818,6.116,5.652,0.381,0.503,0.465,0.171,0.186,0.168,0.414,0.165,0.118,12.15,39.059,0.175,0.453,0.232,64.393
|
|
ZINC00009851,4.172,3.729,1.067,0.465,0.416,0.162,0.161,0.167,0.052,0.393,0.194,8.967,23.985,0.163,0.322,0.213,49.547
|
|
ZINC03815362,2.306,1.683,0.507,0.513,0.374,0.172,0.172,0.165,0.06,0.03,0.01,4.496,5.905,0.17,0.331,0.033,12.371
|
|
ZINC03815129,2.693,2.313,0.098,0.528,0.453,0.169,0.172,0.204,0.066,0.035,0.002,5.105,6.721,0.181,0.471,0.034,12.437
|
|
ZINC03815235,6.035,1.113,0.258,0.815,0.15,0.165,0.169,0.169,0.094,0.014,0.044,7.406,8.561,0.168,0.722,0.05,17.699
|
|
ZINC03815075,5.793,3.655,0.408,0.588,0.371,0.178,0.164,0.196,0.369,0.062,0.258,9.856,25.028,0.179,0.438,0.23,43.519
|
|
ZINC03813431,3.458,1.203,0.776,0.636,0.221,0.156,0.173,0.152,0.066,0.387,0.022,5.436,7.775,0.16,0.454,0.158,16.438
|
|
ZINC01386782,4.833,3.841,0.627,0.52,0.413,0.168,0.162,0.201,0.394,0.055,0.53,9.301,24.003,0.176,0.399,0.326,44.946
|
|
ZINC03815283,5.407,1.377,0.329,0.76,0.194,0.162,0.164,0.174,0.252,0.012,0.373,7.112,9.675,0.167,0.64,0.212,19.234
|
|
ZINC03815250,5.508,1.69,0.025,0.763,0.234,0.167,0.168,0.174,0.355,0.019,0,7.223,9.49,0.17,0.644,0.125,16.95
|
|
ZINC00116937,5.871,4.175,0.394,0.562,0.4,0.178,0.164,0.182,0.381,0.085,0.199,10.439,28.463,0.174,0.443,0.222,48.551
|
|
ZINC03815334,2.949,1.425,0.617,0.591,0.286,0.174,0.202,0.174,0.067,0.1,0.017,4.991,6.901,0.183,0.386,0.061,14.483
|
|
ZINC03815199,7.427,3.746,0.024,0.663,0.335,0.166,0.164,0.178,0.641,0.062,0,11.198,28.096,0.169,0.497,0.235,39.969
|
|
ZINC03815088,3.447,3.285,0.175,0.499,0.476,0.153,0.157,0.164,0.087,0.113,0.002,6.907,12.505,0.158,0.462,0.067,21.399
|
|
ZINC03815348,4.262,2.358,0.625,0.588,0.325,0.174,0.166,0.161,0.19,0.034,0.077,7.244,14.184,0.167,0.382,0.101,27.704
|
|
ZINC03815258,6.48,3.785,0.069,0.627,0.366,0.176,0.165,0.169,0.426,0.06,0.003,10.334,25.238,0.17,0.49,0.163,37.274
|
|
ZINC03815102,44.854,1.007,0.66,0.964,0.022,0.154,0.162,0.16,5.73,0.13,0.021,46.521,75.437,0.159,0.946,1.96,151.768
|
|
ZINC03815043,2.231,1.833,0.073,0.539,0.443,0.167,0.148,0.162,0.063,0.03,0,4.137,4.386,0.159,0.474,0.031,8.82
|
|
ZINC03815032,4.194,3.762,0.493,0.496,0.445,0.174,0.166,0.213,0.059,0.294,0.116,8.449,19.702,0.183,0.412,0.156,35.932
|
|
ZINC03815050,33.675,1.338,0.841,0.939,0.037,0.151,0.16,0.158,4.335,0.119,0.037,35.853,74.486,0.156,0.909,1.497,148.214
|
|
ZINC03815273,6.176,2.697,0.534,0.657,0.287,0.159,0.173,0.159,0.436,0.131,0.019,9.407,21.395,0.164,0.485,0.195,39.696
|
|
ZINC03815119,3.562,1.313,0.488,0.664,0.245,0.151,0.154,0.167,0.193,0.004,0.018,5.364,7.059,0.157,0.496,0.072,14.707
|
|
ZINC03815189,3.566,1.558,0.002,0.696,0.304,0.182,0.164,0.168,0.181,0.01,0,5.126,5.567,0.171,0.543,0.064,10.703
|
|
ZINC03815278,4.441,3.657,0.092,0.542,0.447,0.174,0.164,0.191,0.262,0.055,0.005,8.19,16.987,0.176,0.483,0.108,26.675
|
|
ZINC03815290,6.101,2.587,0.748,0.647,0.274,0.16,0.16,0.176,0.426,0.116,0.034,9.436,22.28,0.166,0.47,0.192,43.52
|
|
ZINC00016978,6.669,3.292,0.478,0.639,0.315,0.164,0.164,0.22,0.135,0.303,0.135,10.44,26.72,0.181,0.458,0.191,47.662
|
|
ZINC03815316,3.617,2.852,1.903,0.432,0.341,0.158,0.159,0.163,0.389,0.023,0.072,8.373,22.63,0.16,0.159,0.162,50.638
|
|
ZINC03815384,5.752,2.554,1.394,0.593,0.263,0.174,0.16,0.168,0.264,0.086,0.588,9.7,26.267,0.168,0.39,0.312,56.443
|
|
ZINC03815228,33.96,2.581,1.458,0.894,0.068,0.158,0.17,0.214,1.744,0.104,2.514,37.999,140.928,0.179,0.841,1.454,306.726
|
|
ZINC03815397,4.959,4.277,1.499,0.462,0.398,0.159,0.169,0.166,0.162,0.188,0.452,10.735,35.053,0.165,0.291,0.267,77.58
|
|
ZINC03815077,5.207,2.653,1.283,0.57,0.29,0.159,0.147,0.155,0.129,0.026,0.07,9.143,23.901,0.153,0.354,0.075,50.773
|
|
ZINC03815300,4.936,3.837,1.304,0.49,0.381,0.166,0.16,0.186,0.228,0.147,0.311,10.077,30.376,0.17,0.306,0.229,65.143
|
|
ZINC02572485,5.984,2.577,0.572,0.655,0.282,0.158,0.161,0.186,0.313,0.021,0.157,9.134,20.322,0.168,0.483,0.164,38.281
|
|
ZINC03815298,5.109,3.506,1.325,0.514,0.353,0.174,0.163,0.168,0.237,0.134,0.35,9.94,29.326,0.169,0.3,0.24,63
|
|
ZINC03815059,8.563,2.483,0.248,0.758,0.22,0.159,0.164,0.159,1.883,0.108,0.001,11.295,24.003,0.161,0.637,0.664,40.568
|
|
ZINC03815201,53.57,1.621,0.338,0.965,0.029,0.152,0.175,0.166,6.858,0.217,0.007,55.528,105.451,0.164,0.947,2.361,190.291
|
|
ZINC03815066,5.701,1.641,1.438,0.649,0.187,0.159,0.169,0.159,0.261,0.564,0.014,8.78,19.913,0.162,0.474,0.279,42.146
|
|
ZINC04617768,3.936,1.356,0.56,0.673,0.232,0.153,0.171,0.15,0.053,0.158,0.006,5.852,8.303,0.158,0.509,0.072,17.146
|
|
ZINC03815198,7.693,1.533,0.492,0.792,0.158,0.153,0.168,0.159,0.179,0.269,0.009,9.718,16.332,0.16,0.687,0.152,31.852
|
|
ZINC04617774,5.398,3.095,2.475,0.492,0.282,0.148,0.15,0.15,0.093,0.055,0.317,10.968,37.726,0.149,0.238,0.155,90.041
|
|
ZINC03815064,65.293,2.167,1.418,0.948,0.031,0.162,0.169,0.169,8.088,0.28,0.066,68.878,237.157,0.167,0.922,2.811,506.7
|
|
ZINC03815087,38.151,2.882,1.29,0.901,0.068,0.148,0.162,0.164,3.329,0.302,0.053,42.323,162.878,0.157,0.852,1.228,347.017
|
|
ZINC03815040,5.645,1.954,1.103,0.649,0.225,0.147,0.148,0.155,0.09,0.08,0.043,8.701,19.408,0.15,0.473,0.071,40.27
|
|
ZINC03815049,62.993,1.366,0.357,0.973,0.021,0.149,0.162,0.164,9.443,0.076,0.005,64.715,109.011,0.158,0.96,3.175,204.453
|
|
ZINC03815243,42.152,3.691,1.577,0.889,0.078,0.145,0.159,0.169,2.071,1.411,0.282,47.42,227.876,0.158,0.833,1.255,520.683
|
|
ZINC03815026,7.056,4.34,0.517,0.592,0.364,0.158,0.156,0.179,0.342,0.068,0.265,11.912,36.508,0.164,0.435,0.225,64.241
|
|
ZINC03815051,83.809,2.211,1.648,0.956,0.025,0.147,0.168,0.148,8.699,0.289,0.161,87.668,327.014,0.154,0.934,3.05,719.973
|
|
ZINC03815044,6.659,5.622,0.014,0.542,0.457,0.164,0.164,0.188,0.147,0.38,0,12.295,37.611,0.172,0.498,0.176,50.434
|
|
ZINC03815272,4.607,2.691,2.192,0.485,0.284,0.161,0.155,0.159,0.298,0.088,0.023,9.49,28.397,0.158,0.228,0.136,65.067
|
|
ZINC03815172,10.221,4.268,2.309,0.608,0.254,0.159,0.144,0.159,2.423,0.228,0.156,16.799,77.089,0.154,0.413,0.936,194.641
|
|
ZINC03815191,4.029,3.153,1.726,0.452,0.354,0.145,0.156,0.156,0.04,0.586,0.049,8.908,25.101,0.153,0.209,0.225,55.94
|
|
ZINC03815063,5.489,2.809,0.938,0.594,0.304,0.146,0.16,0.158,0.125,0.05,0.063,9.236,23.2,0.155,0.391,0.08,46.892
|
|
ZINC03815387,5.869,4.843,1.364,0.486,0.401,0.161,0.161,0.195,0.122,0.218,0.673,12.076,43.039,0.172,0.331,0.338,93.898
|
|
ZINC03815218,3.993,2.186,0.034,0.643,0.352,0.167,0.162,0.21,0.382,0.009,0.001,6.214,8.942,0.178,0.492,0.131,15.456
|
|
ZINC03815090,46.409,2.284,2.124,0.913,0.045,0.145,0.157,0.152,3.408,0.212,0.123,50.817,209.414,0.151,0.87,1.248,485.355
|
|
ZINC04617771,4.38,2.305,1.22,0.554,0.292,0.147,0.151,0.154,0.08,0.161,0.032,7.905,18.249,0.151,0.331,0.091,38.467
|
|
ZINC03815333,6.254,4.867,2.102,0.473,0.368,0.161,0.161,0.175,0.077,0.65,0.28,13.223,53.813,0.166,0.262,0.336,131.01
|
|
ZINC03815237,32.316,3.786,2.926,0.828,0.097,0.15,0.152,0.155,1.561,1.066,0.707,39.029,228.001,0.152,0.742,1.111,625.069
|
|
ZINC04617779,5.843,4.082,0.379,0.567,0.396,0.148,0.148,0.15,0.094,0.165,0.009,10.305,27.619,0.149,0.445,0.089,46.971
|
|
ZINC03815175,60.892,3.713,0.791,0.931,0.057,0.153,0.161,0.168,2.843,0.757,0.055,65.396,277.181,0.161,0.897,1.218,521.372
|
|
ZINC03815096,3.617,3.528,0.137,0.497,0.485,0.152,0.154,0.162,0.072,0.046,0.001,7.281,13.735,0.156,0.472,0.04,22.759
|
|
ZINC03815358,5.768,2.463,0.802,0.639,0.273,0.171,0.168,0.166,0.232,0.227,0.023,9.034,20.812,0.168,0.458,0.16,41.243
|
|
ZINC03815126,4.325,2.077,1.114,0.575,0.276,0.165,0.154,0.167,0.129,0.048,0.056,7.515,16.112,0.162,0.363,0.078,33.632
|
|
ZINC03815404,11.59,1.35,0.036,0.893,0.104,0.158,0.159,0.163,0.482,0.161,0,12.977,16.121,0.16,0.84,0.214,29.666
|
|
ZINC03815401,6.296,4.456,1.989,0.494,0.35,0.153,0.153,0.169,0.148,0.182,0.642,12.742,49.448,0.158,0.266,0.324,118.006
|
|
ZINC03815108,58.336,2.26,2.113,0.93,0.036,0.142,0.15,0.153,3.661,0.418,0.094,62.709,259.875,0.148,0.895,1.391,601.149
|
|
ZINC03815154,59.514,4.301,2.825,0.893,0.065,0.147,0.151,0.156,3.453,0.445,0.254,66.64,436.273,0.151,0.84,1.384,1226.13
|
|
ZINC04617776,34.64,3.391,2.037,0.865,0.085,0.143,0.156,0.154,2.415,0.252,0.319,40.069,194.944,0.151,0.797,0.995,474.314
|
|
ZINC03815165,71.397,3.459,0.998,0.941,0.046,0.147,0.156,0.158,3.026,1.073,0.042,75.854,321.706,0.154,0.912,1.38,644.131
|
|
ZINC03815352,11.46,6.81,2.824,0.543,0.323,0.164,0.153,0.154,0.306,0.739,0.56,21.095,129.641,0.157,0.315,0.535,371.12
|
|
ZINC03815173,84.688,3.516,1.071,0.949,0.039,0.141,0.156,0.166,3.166,1.203,0.056,89.274,392.208,0.154,0.923,1.475,800.313
|
|
ZINC03815367,3.458,1.738,0.89,0.568,0.286,0.169,0.171,1,0.07,0.071,0.246,6.085,10.632,0.307,0.352,0.129,22.063
|
|
ZINC00109589,2.261,1.481,0.89,0.488,0.32,0.17,0.17,1,0.045,0.025,0.254,4.632,6.677,0.307,0.232,0.108,14.288
|
|
ZINC03815364,2.324,1.739,0.68,0.49,0.367,0.156,0.153,0.16,0.222,0.015,0.02,4.743,6.805,0.156,0.285,0.086,14.297
|
|
ZINC03815303,3.715,1.462,0.996,0.602,0.237,0.163,0.167,1,0.222,0.008,0.355,6.173,10.588,0.301,0.403,0.195,22.17
|
|
ZINC03815312,2.093,1.517,0.444,0.516,0.374,0.16,0.158,0.162,0.07,0.151,0.002,4.055,4.78,0.16,0.336,0.074,10.245
|
|
ZINC03815256,5.493,1.237,0.996,0.711,0.16,0.163,0.163,0.728,0.126,0.034,0.355,7.726,13.498,0.269,0.567,0.172,27.991
|
|
ZINC03815253,4.375,2.757,0.996,0.538,0.339,0.162,0.171,0.384,0.098,0.15,0.365,8.127,19.16,0.22,0.316,0.204,39.294
|
|
ZINC03815365,6.171,1.157,0.933,0.747,0.14,0.162,0.164,0.178,0.098,0.038,0.354,8.261,13.977,0.168,0.62,0.163,28.9
|
|
ZINC01386812,5.672,2.369,1.102,0.62,0.259,0.162,0.159,1,0.173,0.051,0.478,9.143,22.301,0.296,0.431,0.234,46.254
|
|
ZINC00020368,7.067,0.942,0.446,0.836,0.111,0.161,0.737,0.162,0.099,0.336,0.004,8.455,10.226,0.268,0.754,0.146,21.647
|
|
ZINC03815297,5.826,2.477,1.234,0.611,0.26,0.158,0.164,0.159,0.16,0.052,0.267,9.537,24.677,0.16,0.416,0.16,52.025
|
|
ZINC03815342,6.941,4.779,0.295,0.578,0.398,0.166,0.166,0.178,0.147,0.467,0.033,12.016,36.639,0.17,0.463,0.216,58.455
|
|
ZINC03815083,3.961,1.101,0.144,0.761,0.211,0.164,0.171,0.166,0.162,0.016,0.001,5.206,5.09,0.167,0.641,0.059,10.925
|
|
ZINC03815293,2.714,0.592,0.546,0.705,0.154,0.176,0.183,0.206,0.058,0.01,0.048,3.851,3.411,0.188,0.557,0.039,8.139
|
|
ZINC03815310,1.918,0.974,0.722,0.531,0.27,0.173,0.173,0.173,0.032,0.087,0.008,3.614,3.956,0.173,0.296,0.042,8.918
|
|
ZINC03815326,3.001,1.47,0.315,0.627,0.307,0.168,0.162,0.182,0.042,0.055,0.106,4.786,5.819,0.17,0.441,0.068,11.993
|
|
ZINC03815341,2.254,1.699,0.489,0.508,0.382,0.17,0.173,0.161,0.199,0.012,0.039,4.442,5.762,0.168,0.335,0.083,12.075
|
|
ZINC03815394,3.172,1.489,0.358,0.632,0.297,0.164,0.16,0.159,0.046,0.031,0.115,5.019,6.393,0.161,0.448,0.064,13.105
|
|
ZINC03815277,3.517,1.431,0.351,0.664,0.27,0.16,0.164,0.164,0.039,0.043,0.105,5.299,6.769,0.163,0.496,0.062,13.835
|
|
ZINC03815156,3.59,0.533,0.385,0.796,0.118,0.168,0.168,0.181,0.083,0.006,0.014,4.508,3.504,0.173,0.694,0.034,8.75
|
|
ZINC03815244,3.242,0.372,0.21,0.848,0.097,0.164,0.162,0.174,0.063,0.03,0.001,3.824,1.965,0.167,0.772,0.031,6.042
|
|
ZINC00020645,3.33,0.617,0.365,0.772,0.143,0.162,0.162,0.162,0.069,0.006,0.044,4.312,3.496,0.162,0.658,0.039,8.558
|
|
ZINC03815402,6.214,1.199,0.132,0.824,0.159,0.158,0.169,0.169,0.098,0.046,0.004,7.545,8.43,0.165,0.735,0.049,16.961
|
|
ZINC03815336,1.727,1.569,0.317,0.478,0.434,0.17,0.159,0.173,0.016,0.041,0.004,3.613,3.755,0.167,0.368,0.02,8.228
|
|
ZINC00023489,2.371,0.814,0.811,0.593,0.204,0.171,0.176,0.171,0.318,0.007,0.011,3.996,4.513,0.172,0.39,0.112,10.074
|
|
ZINC00007342,1.217,0.882,0.667,0.44,0.319,0.169,0.169,0.174,0.01,0.073,0.011,2.767,2.475,0.171,0.16,0.031,5.958
|
|
ZINC03815231,4.434,1.154,0.314,0.751,0.195,0.167,0.167,0.184,0.109,0.027,0.021,5.901,6.868,0.172,0.627,0.052,14.373
|
|
ZINC03815295,4.71,1.009,0.623,0.743,0.159,0.164,0.174,0.162,0.143,0.019,0.03,6.342,8.316,0.167,0.614,0.064,17.62
|
|
ZINC03815257,6.945,2.767,1.254,0.633,0.252,0.158,0.156,0.161,0.318,0.06,0.047,10.966,31.396,0.158,0.45,0.142,66.46
|
|
ZINC03815345,3.797,1.534,0.643,0.636,0.257,0.155,0.154,0.168,0.125,0.012,0.023,5.973,9.249,0.159,0.453,0.053,18.965
|
|
ZINC03815368,3.725,1.474,0.109,0.702,0.278,0.159,0.161,0.151,0.069,0.076,0,5.308,6.058,0.157,0.553,0.048,11.964
|
|
ZINC03815234,2.118,0.339,0.041,0.848,0.136,0.174,0.176,0.183,0.017,0.002,0.006,2.498,0.818,0.178,0.772,0.008,3.346
|
|
ZINC03815200,1.42,0.891,0.288,0.546,0.343,0.176,0.17,0.183,0.041,0.01,0.001,2.599,1.931,0.176,0.334,0.017,4.894
|
|
ZINC00006271,3.152,0.726,0.191,0.775,0.178,0.167,0.168,0.167,0.069,0.011,0.001,4.068,3.026,0.167,0.662,0.027,7.53
|
|
ZINC04617767,3.162,0.65,0.045,0.82,0.169,0.17,0.168,0.168,0.034,0.017,0.001,3.857,2.227,0.169,0.73,0.017,6.177
|
|
ZINC03815028,2.975,1.011,0.237,0.704,0.239,0.17,0.168,0.188,0.105,0.006,0.021,4.223,3.952,0.175,0.557,0.044,8.887
|
|
ZINC03815058,1.465,1.033,0.404,0.505,0.356,0.168,0.168,0.168,0.076,0.006,0.009,2.903,2.524,0.168,0.291,0.03,6.039
|
|
ZINC03815241,1.566,0.648,0.332,0.615,0.255,0.169,0.171,0.174,0.041,0.005,0.002,2.547,1.751,0.171,0.423,0.016,4.635
|
|
ZINC03815054,1.685,0.705,0.472,0.589,0.246,0.17,0.168,0.17,0.036,0.006,0.011,2.862,2.316,0.169,0.383,0.018,5.738
|
|
ZINC03815030,3.416,1.084,0.303,0.711,0.226,0.164,0.166,0.171,0.107,0.007,0.04,4.802,5.065,0.167,0.567,0.052,10.988
|
|
ZINC02391775,3.819,0.794,0.03,0.823,0.171,0.166,0.166,0.178,0.034,0.031,0,4.643,3.171,0.17,0.734,0.022,7.904
|
|
ZINC03815052,3.382,0.783,0.308,0.756,0.175,0.166,0.171,0.171,0.061,0.004,0.026,4.473,3.929,0.169,0.634,0.031,9.217
|
|
ZINC03815057,1.876,0.892,0.328,0.606,0.288,0.166,0.164,0.164,0.039,0.01,0.002,3.096,2.581,0.165,0.409,0.017,6.225
|
|
ZINC03815073,3.326,1.407,0.025,0.699,0.296,0.167,0.169,0.18,0.046,0.03,0,4.758,4.798,0.172,0.548,0.026,9.673
|
|
ZINC03815249,37.96,1.423,0.787,0.945,0.035,0.162,0.182,0.174,2.956,0.065,1.349,40.171,85.024,0.172,0.917,1.457,167.716
|
|
ZINC03815152,46.537,1.105,0.385,0.969,0.023,0.162,0.161,0.18,3.984,0.055,0.065,48.027,69.75,0.168,0.953,1.368,137.567
|
|
ZINC03815116,18.516,2.839,1.383,0.814,0.125,0.155,0.161,0.156,1.763,0.28,0.033,22.739,82.106,0.157,0.721,0.692,177.551
|
|
ZINC04617775,2.582,0.546,0.077,0.806,0.17,0.18,0.188,0.165,0.284,0.037,0,3.206,1.652,0.178,0.708,0.107,4.967
|
|
ZINC03815233,40.351,2.693,1.894,0.898,0.06,0.154,0.169,0.164,1.298,0.576,1.426,44.938,190.209,0.162,0.847,1.1,441.007
|
|
ZINC04617795,2.484,1.165,0.34,0.623,0.292,0.166,0.161,0.156,0.091,0.018,0,3.99,4.137,0.161,0.434,0.036,9.112
|
|
ZINC03815239,34.564,3.887,1.331,0.869,0.098,0.153,0.155,0.155,1.24,0.666,0.351,39.782,185.528,0.154,0.803,0.752,404.137
|
|
ZINC03815188,2.585,1.928,0.204,0.548,0.409,0.158,0.161,0.158,0.096,0.014,0,4.718,5.907,0.159,0.435,0.037,11.645
|
|
ZINC03815095,22.755,2.613,0.17,0.891,0.102,0.162,0.167,0.169,1.897,0.597,0,25.538,63.762,0.166,0.837,0.831,99.395
|
|
ZINC03815103,2.564,1.671,1.135,0.477,0.311,0.17,0.156,0.162,0.286,0.012,0.005,5.369,9.089,0.163,0.216,0.101,19.32
|
|
ZINC03815209,35.24,2.605,1.334,0.899,0.066,0.154,0.164,0.199,1.242,0.411,0.33,39.179,142.276,0.172,0.849,0.661,303.897
|
|
ZINC03815306,36.28,2.209,1.149,0.915,0.056,0.153,0.179,0.167,1.17,0.836,0.138,39.638,124.378,0.166,0.873,0.715,256.13
|
|
ZINC03815208,38.519,4.092,1.296,0.877,0.093,0.154,0.162,0.183,1.412,0.587,0.142,43.907,212.84,0.166,0.816,0.713,461.008
|
|
ZINC03815067,24.102,3.252,0.185,0.875,0.118,0.153,0.159,0.157,1.749,0.683,0.001,27.539,83.438,0.157,0.813,0.811,125.476
|
|
ZINC03815382,4.438,0.723,0.02,0.857,0.14,0.177,0.171,0.174,0.069,0.007,0.004,5.182,3.314,0.174,0.785,0.027,8.561
|
|
ZINC03815179,3.371,2.133,0.143,0.597,0.378,0.167,0.167,0.211,0.022,0.211,0.139,5.647,7.98,0.181,0.462,0.124,14.659
|
|
ZINC03815112,3.681,2.308,0.189,0.596,0.374,0.162,0.174,0.196,0.021,0.214,0.148,6.177,9.624,0.177,0.454,0.128,17.405
|
|
ZINC03815061,3.243,0.91,0.147,0.754,0.212,0.167,0.165,0.179,0.044,0.008,0.001,4.3,3.562,0.171,0.631,0.018,8.296
|
|
ZINC03815048,3.327,0.708,0.124,0.8,0.17,0.167,0.172,0.167,0.042,0.006,0.001,4.159,2.857,0.169,0.7,0.016,7.309
|
|
ZINC03815120,3.369,1.146,0.028,0.742,0.252,0.165,0.165,0.172,0.03,0.036,0,4.543,3.988,0.168,0.612,0.022,8.64
|
|
ZINC03815084,2.952,2.549,0.065,0.53,0.458,0.167,0.169,0.199,0.023,0.071,0.018,5.566,7.88,0.178,0.483,0.037,13.932
|
|
ZINC03815255,10.292,2.254,0.216,0.806,0.177,0.167,0.184,0.172,0.199,0.166,0.138,12.763,25.912,0.174,0.71,0.168,43.693
|
|
ZINC03815186,11.178,2.285,0.293,0.813,0.166,0.162,0.162,0.186,0.191,0.179,0.057,13.756,29.493,0.17,0.719,0.142,50.737
|
|
ZINC03815245,3.253,2.318,0.02,0.582,0.415,0.164,0.162,0.201,0.05,0.023,0,5.592,7.654,0.175,0.495,0.024,13.399
|
|
ZINC03815322,3.117,0.778,0.285,0.746,0.186,0.168,0.168,0.17,0.108,0.004,0.022,4.18,3.534,0.169,0.619,0.045,8.405
|
|
ZINC03815301,3.404,1.747,0.89,0.563,0.289,0.164,0.182,1,0.026,0.131,0.279,6.041,10.53,0.31,0.345,0.145,21.863
|
|
ZINC00327021,3.12,2.158,0.89,0.506,0.35,0.163,0.163,1,0.027,0.132,0.287,6.167,11.428,0.299,0.284,0.149,23.585
|
|
ZINC03815356,3.681,2.042,0.67,0.576,0.319,0.162,0.167,0.161,0.033,0.117,0.127,6.394,11.354,0.163,0.364,0.093,22.786
|
|
ZINC03815340,3.448,2.356,0.71,0.529,0.362,0.16,0.16,0.168,0.043,0.074,0.143,6.514,12.247,0.163,0.336,0.087,24.532
|
|
ZINC04617812,3.681,2.042,0.67,0.576,0.319,0.162,0.167,0.161,0.033,0.117,0.127,6.394,11.354,0.163,0.364,0.093,22.786
|
|
ZINC04617811,3.448,2.356,0.71,0.529,0.362,0.16,0.161,0.168,0.043,0.074,0.143,6.514,12.247,0.163,0.336,0.087,24.533
|
|
ZINC03815093,3.092,1.807,0.046,0.625,0.365,0.168,0.168,0.174,0.053,0.078,0,4.945,5.81,0.17,0.486,0.044,11.01
|
|
ZINC03815222,2.932,0.515,0.43,0.756,0.133,0.168,0.17,0.179,0.112,0.003,0.023,3.877,2.992,0.172,0.634,0.046,7.519
|
|
ZINC00006798,3.517,1.982,0.46,0.59,0.333,0.163,0.163,0.169,0.052,0.094,0.139,5.958,9.496,0.165,0.385,0.095,18.657
|
|
ZINC01609260,3.036,1.75,0.989,0.526,0.303,0.171,0.168,0.166,0.035,0.09,0.33,5.774,10.043,0.168,0.289,0.151,21.069
|
|
ZINC03815377,2.303,1.745,0.124,0.552,0.418,0.164,0.164,0.162,0.043,0.06,0,4.172,4.52,0.163,0.455,0.034,9.189
|
|
ZINC03815366,5.81,1.779,0.966,0.679,0.208,0.158,0.166,0.178,0.118,0.136,0.074,8.555,17.668,0.167,0.519,0.109,36.208
|
|
ZINC03815351,6.419,1.822,0.05,0.774,0.22,0.159,0.166,0.161,0.118,0.111,0,8.292,12.112,0.162,0.661,0.076,20.993
|
|
ZINC03815376,6.059,1.098,0.235,0.82,0.148,0.163,0.186,0.166,0.096,0.56,0.001,7.392,8.333,0.171,0.73,0.219,17.289
|
|
ZINC01609268,4.855,1.768,1.489,0.598,0.218,0.158,0.166,0.178,0.089,0.154,0.028,8.112,18.447,0.167,0.398,0.09,39.343
|
|
ZINC03815391,9.483,2.226,0.005,0.81,0.19,0.155,0.156,0.156,0.227,0.12,0,11.714,21.165,0.156,0.714,0.116,32.982
|
|
ZINC03815323,48.258,3.442,1.929,0.9,0.064,0.149,0.149,0.157,2.287,0.216,0.316,53.63,265.869,0.152,0.85,0.94,640.004
|
|
ZINC03815390,6.164,2.684,1.05,0.623,0.271,0.149,0.155,0.168,0.09,0.027,0.072,9.897,25.832,0.157,0.434,0.063,53.097
|
|
ZINC03815324,55.3,4.597,1.438,0.902,0.075,0.156,0.148,0.165,2.13,0.379,0.167,61.335,340.335,0.156,0.852,0.892,767.177
|
|
ZINC03815025,2.812,1.298,0.097,0.668,0.309,0.168,0.164,0.166,0.054,0.014,0.001,4.206,4.047,0.166,0.503,0.023,8.606
|
|
ZINC03815106,2.448,1.55,0.141,0.591,0.374,0.168,0.181,0.196,0.02,0.081,0.003,4.139,4.359,0.181,0.449,0.035,9.035
|
|
ZINC04617810,6.322,2.089,0.475,0.712,0.235,0.163,0.159,0.182,0.137,0.025,0.435,8.886,17.196,0.168,0.567,0.199,32.348
|
|
ZINC04617809,6.322,2.088,0.475,0.712,0.235,0.163,0.159,0.182,0.137,0.025,0.435,8.885,17.192,0.168,0.567,0.199,32.341
|
|
ZINC03815339,5.854,1.009,0.018,0.851,0.147,0.166,0.212,0.158,0.137,0.426,0,6.881,6.031,0.177,0.776,0.188,13.018
|
|
ZINC04617808,5.853,1.009,0.018,0.851,0.147,0.166,0.218,0.158,0.137,0.426,0,6.881,6.03,0.179,0.776,0.188,13.016
|
|
ZINC04617792,5.161,1.166,1.152,0.69,0.156,0.157,0.162,0.157,0.192,0.461,0.014,7.479,13.309,0.159,0.535,0.222,27.723
|
|
ZINC04617793,5.777,2.995,0.573,0.618,0.32,0.157,0.157,0.177,0.595,0.017,0.552,9.344,22.326,0.163,0.427,0.388,41.584
|
|
ZINC03815184,5.777,2.995,0.573,0.618,0.321,0.157,0.157,0.177,0.595,0.017,0.552,9.345,22.328,0.163,0.427,0.388,41.586
|
|
ZINC04617794,5.161,1.166,1.152,0.69,0.156,0.157,0.162,0.157,0.192,0.461,0.014,7.479,13.31,0.159,0.535,0.222,27.724
|
|
ZINC04617801,4.927,2.51,0.332,0.634,0.323,0.155,0.158,0.171,0.175,0.042,0.04,7.769,14.837,0.161,0.451,0.086,26.711
|
|
ZINC04617802,5.25,2.196,0.272,0.68,0.284,0.154,0.154,0.168,0.316,0.008,0.071,7.718,13.555,0.159,0.52,0.132,24.411
|
|
ZINC04617803,5.213,2.191,0.286,0.678,0.285,0.155,0.158,0.174,0.306,0.008,0.058,7.69,13.538,0.162,0.517,0.124,24.495
|
|
ZINC03815267,4.993,2.627,0.221,0.637,0.335,0.163,0.158,0.171,0.169,0.045,0.024,7.842,14.806,0.164,0.458,0.079,25.552
|
|
ZINC04617798,46.638,4.596,2.015,0.876,0.086,0.148,0.147,0.146,3.328,0.052,0.328,53.249,317.577,0.147,0.814,1.236,802.749
|
|
ZINC03815217,38.61,3.771,2.452,0.861,0.084,0.153,0.15,0.175,3.064,0.102,1.501,44.833,249.517,0.159,0.792,1.556,651.347
|
|
ZINC04617797,46.684,4.3,2.272,0.877,0.081,0.145,0.155,0.188,3.337,0.037,3.2,53.256,316.579,0.162,0.815,2.191,825.946
|
|
ZINC04617799,38.518,3.871,2.429,0.859,0.086,0.157,0.146,0.175,3.05,0.114,0.793,44.818,252.068,0.159,0.789,1.319,659.043
|
|
ZINC03815395,5.964,2.109,1.717,0.609,0.215,0.175,0.159,0.191,0.303,0.074,0.29,9.79,26.436,0.174,0.414,0.223,57.815
|
|
ZINC00021592,3.059,1.774,0.758,0.547,0.317,0.164,0.167,0.173,0.053,0.028,0.06,5.592,9.092,0.168,0.321,0.047,18.799
|
|
ZINC03815265,3.456,0.517,0.427,0.786,0.117,0.167,0.173,0.167,0.128,0.003,0.003,4.4,3.481,0.169,0.678,0.044,8.643
|
|
ZINC00839396,1.886,0.854,0.296,0.621,0.281,0.161,0.166,0.161,0.021,0.005,0.005,3.036,2.422,0.163,0.432,0.011,5.934
|
|
ZINC03815082,5.174,0.846,0.281,0.821,0.134,0.16,0.16,0.168,0.093,0.021,0.005,6.301,6.066,0.163,0.732,0.039,13.594
|
|
ZINC03815194,3.068,0.908,0.487,0.687,0.203,0.159,0.159,0.159,0.098,0.048,0.001,4.463,4.723,0.159,0.531,0.049,10.543
|
|
ZINC00839389,3.146,1.003,0.11,0.739,0.235,0.161,0.167,0.161,0.052,0.021,0,4.259,3.611,0.163,0.608,0.024,8.217
|
|
ZINC03815150,3.433,0.667,0.239,0.791,0.154,0.159,0.162,0.164,0.035,0.011,0.002,4.34,3.272,0.162,0.687,0.016,8.16
|
|
ZINC03815169,7.46,0.373,0.206,0.928,0.046,0.162,0.159,0.162,0.142,0.007,0.001,8.039,4.4,0.161,0.892,0.05,13.014
|
|
ZINC00839395,4.458,0.644,0.39,0.812,0.117,0.157,0.159,0.157,0.048,0.006,0.012,5.492,4.86,0.158,0.718,0.022,11.472
|
|
ZINC03815219,5.267,1.164,0.439,0.767,0.169,0.158,0.158,0.165,0.048,0.025,0.017,6.871,8.958,0.161,0.65,0.03,18.523
|
|
ZINC04617814,5.855,2.718,1.21,0.598,0.278,0.157,0.165,0.157,0.347,0.053,0.067,9.783,26.288,0.159,0.398,0.156,55.33
|
|
ZINC03815409,5.954,2.693,1.18,0.606,0.274,0.17,0.157,0.17,0.386,0.059,0.062,9.828,26.244,0.166,0.409,0.169,55.001
|
|
ZINC03815213,2.717,2.582,0.322,0.483,0.459,0.162,0.164,0.178,0.054,0.14,0.012,5.621,8.721,0.168,0.414,0.069,16.599
|
|
ZINC03815151,2.664,1.198,0.816,0.569,0.256,0.161,0.161,0.167,0.117,0.014,0.018,4.678,6.342,0.163,0.354,0.05,13.624
|
|
ZINC03815230,10.17,2.095,0.49,0.797,0.164,0.162,0.161,0.17,0.692,0.1,0.009,12.755,27.314,0.164,0.696,0.267,50.507
|
|
ZINC00018522,6.078,2.872,0.811,0.623,0.294,0.175,0.169,0.178,0.261,0.03,0.552,9.761,24.713,0.174,0.434,0.281,48.63
|
|
ZINC03815160,3.057,1.146,0.036,0.721,0.27,0.159,0.172,0.159,0.05,0.132,0,4.239,3.653,0.163,0.582,0.061,8.017
|
|
ZINC03815171,5.79,1.792,0.137,0.75,0.232,0.166,0.166,0.172,0.203,0.031,0.003,7.718,11.411,0.168,0.625,0.079,20.548
|
|
ZINC03815161,4.982,1.675,1.525,0.609,0.205,0.155,0.161,0.161,0.105,0.053,0.033,8.182,18.499,0.159,0.413,0.064,39.409
|
|
ZINC03815158,6.209,3.435,0.743,0.598,0.331,0.159,0.159,0.159,0.247,0.071,0.128,10.387,28.494,0.159,0.397,0.149,54.723
|
|
ZINC03815305,6.568,2.119,1.506,0.644,0.208,0.159,0.157,0.16,0.192,0.043,0.218,10.193,27.002,0.159,0.467,0.151,58.156
|
|
ZINC03815157,33.465,2.61,1.648,0.887,0.069,0.145,0.153,0.153,3.03,0.175,0.097,37.723,146.791,0.15,0.831,1.101,328.44
|
|
ZINC03815396,7.931,2.809,0.451,0.709,0.251,0.159,0.16,0.167,0.179,0.064,0.128,11.191,27.122,0.162,0.563,0.124,48.359
|
|
ZINC03815371,6.612,2.574,1.556,0.616,0.24,0.159,0.159,0.162,0.156,0.048,0.257,10.742,31.311,0.16,0.423,0.154,68.529
|
|
ZINC03815389,5.198,2.264,1.606,0.573,0.25,0.158,0.175,0.169,0.206,0.026,0.078,9.067,23.748,0.167,0.36,0.103,51.709
|
|
ZINC03815403,3.34,0.914,0.8,0.661,0.181,0.159,0.172,0.158,0.113,0.083,0.004,5.055,6.458,0.163,0.491,0.067,13.957
|
|
ZINC00006094,1.616,1.06,0.837,0.46,0.302,0.159,0.161,0.158,0.179,0.012,0.006,3.512,3.95,0.16,0.19,0.066,8.895
|
|
ZINC00600430,4.371,2.704,0.709,0.562,0.347,0.163,0.161,0.172,0.135,0.072,0.082,7.784,16.834,0.165,0.363,0.096,32.998
|
|
ZINC03815123,4.214,3.109,0.325,0.551,0.407,0.156,0.156,0.191,0.024,0.099,0.007,7.647,15.475,0.167,0.436,0.043,27.375
|
|
ZINC03815071,4.613,1.958,1.07,0.604,0.256,0.155,0.149,0.147,0.069,0.136,0.006,7.64,16.06,0.15,0.406,0.07,33.361
|
|
ZINC03815047,4.839,1.387,0.048,0.771,0.221,0.159,0.173,0.162,0.037,0.037,0,6.274,7.01,0.165,0.657,0.025,13.607
|
|
ZINC03815094,4.984,1.87,1.089,0.627,0.235,0.145,0.157,0.173,0.028,0.208,0.054,7.944,16.786,0.158,0.441,0.097,34.881
|
|
ZINC03815098,1.71,1.552,0.392,0.468,0.425,0.146,0.152,0.152,0.018,0.02,0.001,3.654,3.933,0.15,0.339,0.013,8.628
|
|
ZINC03815164,3.227,1.931,0.301,0.591,0.354,0.147,0.161,0.151,0.106,0.128,0,5.459,7.785,0.153,0.417,0.078,15.119
|
|
ZINC03815076,4.365,1.197,0.183,0.76,0.208,0.161,0.147,0.163,0.052,0.009,0.001,5.745,6.244,0.157,0.64,0.021,12.946
|
|
ZINC03815354,3.211,1.156,0.976,0.601,0.216,0.158,0.172,0.159,0.038,0.01,0.025,5.342,7.971,0.163,0.401,0.024,16.934
|
|
ZINC00838734,5.997,0.384,0.297,0.898,0.057,0.159,0.177,0.157,0.066,0.034,0.001,6.677,4.196,0.164,0.847,0.033,11.557
|
|
ZINC00601820,5.016,2.229,0.289,0.666,0.296,0.175,0.159,0.182,0.115,0.018,0.011,7.534,13.276,0.172,0.499,0.048,24.044
|
|
ZINC03815288,6.105,4.303,0.293,0.571,0.402,0.161,0.158,0.179,0.127,0.063,0.021,10.701,29.322,0.166,0.459,0.071,47.727
|
|
ZINC03815350,5.303,2.173,0.204,0.691,0.283,0.16,0.165,0.157,0.139,0.017,0.005,7.68,13.048,0.161,0.536,0.054,23.079
|
|
ZINC03815309,9.755,3.69,0.044,0.723,0.274,0.154,0.155,0.193,0.142,0.059,0,13.489,36.588,0.166,0.585,0.067,51.655
|
|
ZINC03815223,7.768,1.516,0.497,0.794,0.155,0.155,0.168,0.16,0.046,0.125,0.034,9.782,16.398,0.161,0.691,0.068,32.039
|
|
ZINC02047503,6.98,1.967,0.149,0.767,0.216,0.154,0.155,0.177,0.091,0.016,0.003,9.095,15.057,0.162,0.651,0.037,26.192
|
|
ZINC03815370,10.827,1.456,0.225,0.866,0.116,0.155,0.155,0.188,0.136,0.036,0.011,12.507,18.524,0.165,0.798,0.061,34.576
|
|
ZINC03815299,53.55,4.432,0.567,0.915,0.076,0.157,0.17,0.177,5.031,0.17,0.055,58.549,270.213,0.168,0.872,1.752,463.382
|
|
ZINC03815128,15.98,3.846,3.245,0.693,0.167,0.149,0.154,0.154,0.844,0.579,0.341,23.072,125.808,0.152,0.539,0.588,348.357
|
|
ZINC03815114,25.633,4.461,2.303,0.791,0.138,0.157,0.159,0.155,0.66,0.367,1.218,32.397,183.643,0.157,0.687,0.748,479.349
|
|
ZINC03815099,27.534,3.977,2.388,0.812,0.117,0.148,0.169,0.159,1.534,2.148,0.133,33.899,184.735,0.159,0.718,1.271,480.073
|
|
ZINC03815074,22.698,3.188,1.729,0.822,0.115,0.156,0.17,0.176,0.555,0.172,1.526,27.615,117.109,0.167,0.733,0.751,269.817
|
|
ZINC03815065,18.038,4.098,2.513,0.732,0.166,0.145,0.157,0.15,0.981,3.11,0.135,24.649,129.549,0.151,0.598,1.409,339.961
|
|
ZINC03815091,4.772,2.032,0.399,0.662,0.282,0.165,0.153,0.158,0.021,0.571,0.006,7.203,12.412,0.159,0.494,0.199,23.487
|
|
ZINC03815279,21.179,3.498,1.446,0.811,0.134,0.156,0.158,0.153,0.708,0.202,0.171,26.123,109.769,0.156,0.716,0.36,243.013
|
|
ZINC03815062,3.751,2.993,0.224,0.538,0.43,0.165,0.15,0.163,0.464,0.007,0.003,6.968,12.739,0.159,0.452,0.158,22.226
|
|
ZINC03815132,5.065,1.217,1.044,0.691,0.166,0.145,0.148,0.158,0.085,0.002,0.114,7.325,12.719,0.15,0.537,0.067,26.477
|
|
ZINC03815113,2.741,1.741,1.013,0.499,0.317,0.159,0.159,0.161,0.046,0.022,0.004,5.495,9.313,0.16,0.248,0.024,19.643
|
|
ZINC03815105,4.11,3.854,2.854,0.38,0.356,0.147,0.165,0.148,0.027,0.607,0.091,10.818,38.57,0.153,0.104,0.242,94.595
|
|
ZINC00837641,5.094,2.06,1.073,0.619,0.25,0.156,0.161,0.161,0.204,0.129,0.012,8.227,18.169,0.16,0.429,0.115,37.653
|
|
ZINC03815109,35.804,3.883,2.876,0.841,0.091,0.144,0.153,0.166,1.532,0.221,0.866,42.563,253.157,0.154,0.762,0.873,695.526
|
|
ZINC03815122,28.094,3.427,1.54,0.85,0.104,0.157,0.157,0.181,0.708,0.192,1.748,33.061,144.833,0.165,0.775,0.883,326.195
|
|
ZINC03815147,11.119,2.749,1.883,0.706,0.175,0.151,0.168,0.161,0.549,0.094,0.233,15.752,56.686,0.16,0.559,0.292,130.004
|
|
ZINC03815178,38.885,4.056,3.415,0.839,0.087,0.142,0.156,0.181,1.17,0.298,1.951,46.356,304.355,0.159,0.758,1.14,889.299
|
|
ZINC03815155,54.84,3.316,1.617,0.917,0.055,0.142,0.153,0.148,1.675,0.456,0.1,59.773,275.921,0.148,0.876,0.744,629.807
|
|
ZINC04617805,29.226,5.731,2.644,0.777,0.152,0.149,0.153,0.152,1.122,0.08,3.323,37.6,259.909,0.151,0.666,1.508,740.329
|
|
ZINC04617806,29.535,5.978,2.187,0.783,0.159,0.144,0.157,0.161,1.154,0.098,0.852,37.701,254.26,0.154,0.675,0.701,678.21
|
|
ZINC04617807,23.006,5.201,2.431,0.751,0.17,0.144,0.161,0.168,1.054,0.22,0.753,30.638,188.223,0.157,0.626,0.676,509.716
|
|
ZINC03815325,22.434,5.075,2.884,0.738,0.167,0.149,0.153,0.168,0.982,0.191,1.521,30.393,193.193,0.156,0.607,0.898,551.94, |