KEYS **** A: Structure ID. B: Crystal Density, in grams per cubic centimeter (g/cm3). C: Lattice Energy, in kJ/mol. D: Number of hydrogen bonds per molecule. E: Number of pi-pi stacking modes per molecule. **** A,B,C,D,E --------------------------------------- SH2_00001,1.3862,-310.1781,8,5 SH2_00002,1.3937,-309.6872,8,6 SH2_00003,1.3846,-308.383,8,4 SH2_00004,1.3857,-307.3108,10,4 SH2_00005,1.5398,-301.6016,10,16 SH2_00006,1.4807,-287.113,14,9 SH2_00007,1.3839,-284.8329,12,3 SH2_00008,1.3752,-284.6897,8,5 SH2_00009,1.3841,-280.5805,12,6 SH2_00010,1.4083,-280.5664,14,6 SH2_00011,1.6779,-279.4092,8,20 SH2_00012,1.4906,-278.2472,10,9 SH2_00013,1.3532,-277.1204,8,2 SH2_00014,1.3426,-276.2312,8,2 SH2_00015,1.4549,-274.7269,8,13 SH2_00016,1.3751,-274.6162,10,4 SH2_00017,1.4768,-273.9684,10,15 SH2_00018,1.2277,-271.7569,8,2 SH2_00019,1.4703,-271.0826,8,13 SH2_00020,1.3101,-271.0676,8,12 SH2_00021,1.3647,-270.4984,12,6 SH2_00022,1.4063,-269.851,10,7 SH2_00023,1.4408,-268.7042,8,14 SH2_00024,1.4102,-268.2037,12,12 SH2_00025,1.4702,-268.0534,10,9 SH2_00026,1.4417,-267.3805,10,8 SH2_00027,1.408,-266.3326,10,7 SH2_00028,1.235,-265.9911,10,6 SH2_00029,1.4511,-265.347,6,9 SH2_00030,1.4144,-264.4996,10,11 SH2_00031,1.493,-263.7771,12,13 SH2_00032,1.3913,-263.6786,10,6 SH2_00033,1.4037,-262.7986,10,11 SH2_00034,1.383,-262.0628,12,7 SH2_00035,1.4941,-261.9121,8,16 SH2_00036,1.5963,-261.8764,8,12 SH2_00037,1.3591,-261.2869,10,6 SH2_00038,1.4819,-260.9396,10,14 SH2_00039,1.4595,-260.1903,6,14 SH2_00040,1.3211,-259.4179,8,8 SH2_00041,1.4741,-259.0877,14,7 SH2_00042,1.5484,-258.3178,12,12 SH2_00043,1.2334,-258.2227,8,8 SH2_00044,1.3215,-258.1273,10,0 SH2_00045,1.2758,-257.8837,8,3 SH2_00046,1.4019,-257.8394,10,10 SH2_00047,1.455,-257.7376,8,10 SH2_00048,1.2776,-257.134,8,12 SH2_00049,1.419,-256.8471,6,12 SH2_00050,1.413,-256.5681,8,4 SH2_00051,1.2982,-256.3187,10,2 SH2_00052,1.3342,-255.9631,10,2 SH2_00053,1.4405,-255.3527,6,12 SH2_00054,1.4102,-255.2371,10,6 SH2_00055,1.4146,-254.715,8,14 SH2_00056,1.4549,-254.3337,8,14 SH2_00057,1.2794,-254.268,10,3 SH2_00058,1.254,-253.9191,8,12 SH2_00059,1.47,-253.3961,8,14 SH2_00060,1.388,-253.3924,10,9 SH2_00061,1.3739,-253.2532,8,8 SH2_00062,1.2648,-253.1305,10,3 SH2_00063,1.3168,-253.1253,8,10 SH2_00064,1.2978,-253.1074,10,2 SH2_00065,1.2582,-253.0979,10,2 SH2_00066,1.4294,-253.0104,12,7 SH2_00067,1.4405,-252.8254,6,10 SH2_00068,1.4413,-252.7111,8,12 SH2_00069,1.3898,-252.5766,8,12 SH2_00070,1.252,-252.5149,6,12 SH2_00071,1.3159,-252.5121,8,10 SH2_00072,1.3398,-252.148,8,10 SH2_00073,1.3872,-252.1201,8,4 SH2_00074,1.2841,-252.0706,8,9 SH2_00075,1.2381,-252.0668,10,3 SH2_00076,1.2617,-252.0563,8,12 SH2_00077,1.3105,-252.0423,8,10 SH2_00078,1.4112,-251.7524,12,4 SH2_00079,1.3582,-251.672,10,0 SH2_00080,1.306,-251.5111,8,11 SH2_00081,1.3576,-251.0425,12,0 SH2_00082,1.4478,-250.8023,6,11 SH2_00083,1.0977,-250.5039,8,4 SH2_00084,1.3122,-250.3662,8,12 SH2_00085,1.3454,-250.3313,8,11 SH2_00086,1.4232,-250.1684,8,16 SH2_00087,1.4673,-250.1533,6,8 SH2_00088,1.2254,-250.1229,12,2 SH2_00089,1.4045,-249.966,14,5 SH2_00090,1.363,-249.8875,8,0 SH2_00091,1.3692,-249.7927,8,0 SH2_00092,1.3304,-249.6863,8,4 SH2_00093,1.4164,-249.4771,6,12 SH2_00094,1.2725,-249.2883,10,0 SH2_00095,1.2547,-249.2735,10,4 SH2_00096,1.2938,-249.2021,6,1 SH2_00097,1.3027,-249.0719,6,12 SH2_00098,1.2423,-248.9958,10,0 SH2_00099,1.4101,-248.9712,8,15 SH2_00100,1.4675,-248.8715,8,8 SH2_00101,1.32,-248.6958,10,4 SH2_00102,1.3392,-248.5876,8,12 SH2_00103,1.2091,-248.4433,8,8 SH2_00104,1.3184,-247.8775,8,6 SH2_00105,1.2704,-247.6725,6,8 SH2_00106,1.3827,-247.6172,12,9 SH2_00107,1.1571,-247.5123,8,5 SH2_00108,1.3915,-247.1465,8,16 SH2_00109,1.2927,-246.875,8,0 SH2_00110,1.2964,-246.6884,8,4 SH2_00111,1.3377,-246.6349,8,7 SH2_00112,1.4461,-246.5189,12,10 SH2_00113,1.3279,-246.4771,8,11 SH2_00114,1.1316,-246.2574,8,13 SH2_00115,1.268,-246.1176,10,8 SH2_00116,1.446,-245.9036,4,18 SH2_00117,1.3438,-245.6796,8,7 SH2_00118,1.3971,-245.6024,6,10 SH2_00119,1.263,-245.3891,8,8 SH2_00120,1.3161,-245.3047,10,5 SH2_00121,1.2353,-245.2467,10,4 SH2_00122,1.3117,-245.0287,8,12 SH2_00123,1.2585,-244.9582,8,8 SH2_00124,1.411,-244.9113,8,9 SH2_00125,1.5371,-244.8727,8,13 SH2_00126,1.4218,-244.4409,4,8 SH2_00127,1.2706,-244.3793,4,8 SH2_00128,1.2926,-243.7414,10,4 SH2_00129,1.5092,-243.5114,8,10 SH2_00130,1.2701,-243.448,8,8 SH2_00131,1.3669,-243.3874,8,10 SH2_00132,1.2481,-243.2503,8,6 SH2_00133,1.3424,-243.1036,8,12 SH2_00134,1.238,-242.9813,10,9 SH2_00135,1.4132,-242.9811,4,8 SH2_00136,1.4527,-242.8795,12,5 SH2_00137,1.2086,-242.684,10,4 SH2_00138,1.1489,-242.6468,10,2 SH2_00139,1.3799,-242.6334,6,13 SH2_00140,1.3056,-242.6243,8,5 SH2_00141,1.3991,-242.5735,10,16 SH2_00142,1.3919,-242.4225,14,5 SH2_00143,1.0993,-241.9066,4,9 SH2_00144,1.3999,-241.887,6,8 SH2_00145,1.2366,-241.7361,8,6 SH2_00146,1.0812,-241.7284,8,10 SH2_00147,1.3099,-241.3779,12,0 SH2_00148,1.1782,-241.1795,10,2 SH2_00149,1.2424,-240.9467,6,10 SH2_00150,1.4017,-240.8567,10,3 SH2_00151,1.3541,-240.3465,8,6 SH2_00152,1.1654,-240.3162,6,6 SH2_00153,1.2724,-240.2494,4,12 SH2_00154,1.3834,-240.2149,6,10 SH2_00155,1.1197,-240.068,10,1 SH2_00156,1.2084,-240.0517,10,4 SH2_00157,1.4454,-239.5951,6,4 SH2_00158,1.2158,-239.5814,8,9 SH2_00159,1.0905,-239.4457,10,11 SH2_00160,1.2047,-239.3243,8,4 SH2_00161,1.1993,-239.3147,6,12 SH2_00162,1.428,-239.2497,4,10 SH2_00163,1.3263,-239.0889,8,10 SH2_00164,1.1427,-238.9227,8,11 SH2_00165,1.2175,-238.6351,8,9 SH2_00166,1.2689,-238.5193,12,2 SH2_00167,1.1794,-238.4162,10,12 SH2_00168,1.4479,-238.3397,6,11 SH2_00169,1.3084,-238.3096,8,10 SH2_00170,1.2849,-238.2648,6,8 SH2_00171,1.1943,-238.1835,12,0 SH2_00172,1.2166,-238.1758,10,10 SH2_00173,1.2146,-238.0978,12,1 SH2_00174,1.2036,-238.0127,8,2 SH2_00175,1.2536,-237.8409,6,12 SH2_00176,1.298,-237.6626,10,4 SH2_00177,1.3597,-237.5156,10,0 SH2_00178,1.4219,-237.4662,8,13 SH2_00179,1.4429,-237.3224,8,8 SH2_00180,1.2232,-237.3067,10,6 SH2_00181,1.3802,-237.2847,10,7 SH2_00182,1.3568,-237.0663,10,7 SH2_00183,1.415,-237.0418,6,0 SH2_00184,1.1404,-236.6012,12,4 SH2_00185,1.4214,-236.3618,6,7 SH2_00186,1.1238,-236.29,4,4 SH2_00187,0.6952,-236.0341,8,6 SH2_00188,1.1704,-235.9459,10,5 SH2_00189,1.3832,-235.9231,6,12 SH2_00190,1.2207,-235.5419,10,0 SH2_00191,1.4443,-235.5241,6,17 SH2_00192,1.2493,-235.4144,6,4 SH2_00193,1.2621,-235.3724,10,2 SH2_00194,1.3642,-235.1945,12,11 SH2_00195,1.0731,-235.0367,8,8 SH2_00196,1.2054,-234.9242,8,6 SH2_00197,1.0044,-234.8962,8,5 SH2_00198,1.1568,-234.8194,8,5 SH2_00199,1.2723,-234.6948,10,0 SH2_00200,1.4341,-234.5991,8,10 SH2_00201,1.3704,-234.5134,10,2 SH2_00202,1.1925,-234.4693,4,2 SH2_00203,1.2505,-234.3768,10,5 SH2_00204,1.3258,-234.2806,6,10 SH2_00205,1.5322,-233.9442,6,11 SH2_00206,1.2955,-233.9388,8,8 SH2_00207,1.1711,-233.9103,4,2 SH2_00208,1.3238,-233.8574,4,12 SH2_00209,1.1198,-233.8551,8,4 SH2_00210,1.3648,-233.8485,8,5 SH2_00211,1.3946,-233.8297,10,11 SH2_00212,1.3658,-233.8017,10,10 SH2_00213,1.3658,-233.7248,8,4 SH2_00214,1.3187,-233.6757,8,7 SH2_00215,1.3521,-233.4224,6,9 SH2_00216,1.4013,-233.4024,4,10 SH2_00217,1.2007,-233.2509,8,8 SH2_00218,1.3088,-233.2223,10,7 SH2_00219,1.4484,-233.1701,6,11 SH2_00220,1.2838,-233.0332,10,6 SH2_00221,1.3167,-233.0159,6,8 SH2_00222,1.4475,-232.8616,8,13 SH2_00223,1.1794,-232.8367,6,8 SH2_00224,1.3887,-232.639,8,8 SH2_00225,1.2487,-232.5875,10,4 SH2_00226,1.2845,-232.5034,10,4 SH2_00227,1.4665,-232.4133,6,10 SH2_00228,1.0182,-232.3965,8,10 SH2_00229,1.2613,-232.1931,10,6 SH2_00230,1.3532,-232.0043,10,10 SH2_00231,1.0927,-231.744,6,9 SH2_00232,1.2394,-231.6389,10,8 SH2_00233,1.3322,-231.6322,4,9 SH2_00234,1.3765,-231.6124,6,12 SH2_00235,1.2332,-231.578,4,4 SH2_00236,1.3454,-231.5162,4,12 SH2_00237,1.1409,-231.4838,6,10 SH2_00238,1.3455,-231.4472,12,12 SH2_00239,1.4372,-231.4154,8,13 SH2_00240,1.4204,-231.3567,8,15 SH2_00241,1.3629,-231.2878,6,6 SH2_00242,1.2452,-231.2686,6,11 SH2_00243,1.2914,-231.263,6,8 SH2_00244,1.3104,-230.8579,8,8 SH2_00245,1.3801,-230.8491,8,9 SH2_00246,1.3279,-230.8171,8,4 SH2_00247,1.3204,-230.7592,10,13 SH2_00248,1.2723,-230.7428,10,2 SH2_00249,1.2585,-230.688,10,5 SH2_00250,1.3721,-230.6815,6,6 SH2_00251,1.3597,-230.1459,8,10 SH2_00252,1.1945,-230.1269,8,5 SH2_00253,1.3525,-229.9618,6,7 SH2_00254,1.3771,-229.9193,10,10 SH2_00255,1.2612,-229.8426,6,8 SH2_00256,1.1919,-229.8141,8,6 SH2_00257,1.4048,-229.814,8,0 SH2_00258,1.4278,-229.8092,12,4 SH2_00259,1.1736,-229.7362,10,10 SH2_00260,1.2634,-229.7354,14,10 SH2_00261,1.2633,-229.6435,8,10 SH2_00262,1.1023,-229.6047,6,6 SH2_00263,1.1681,-229.582,10,8 SH2_00264,1.1717,-229.5708,8,4 SH2_00265,1.4345,-229.5097,4,11 SH2_00266,1.2718,-229.5082,6,8 SH2_00267,1.3491,-229.3676,8,4 SH2_00268,1.1899,-229.3277,12,6 SH2_00269,1.1304,-229.2887,12,3 SH2_00270,1.3726,-229.2543,10,12 SH2_00271,1.392,-229.1358,6,12 SH2_00272,1.2806,-229.0543,8,10 SH2_00273,1.2109,-229.0459,10,1 SH2_00274,1.2129,-228.9696,10,6 SH2_00275,1.2985,-228.8783,12,2 SH2_00276,1.323,-228.8748,12,5 SH2_00277,1.0458,-228.8195,6,10 SH2_00278,1.2619,-228.7653,14,10 SH2_00279,1.3927,-228.7228,6,5 SH2_00280,1.461,-228.6774,4,3 SH2_00281,1.4238,-228.4776,8,13 SH2_00282,1.3059,-228.3947,10,10 SH2_00283,1.1473,-228.3351,10,0 SH2_00284,1.345,-228.1623,10,8 SH2_00285,1.3346,-228.0791,6,4 SH2_00286,1.2708,-228.0095,8,8 SH2_00287,1.3259,-227.9478,8,12 SH2_00288,1.2953,-227.9476,6,6 SH2_00289,1.1952,-227.8174,10,0 SH2_00290,1.3849,-227.7922,10,12 SH2_00291,1.1937,-227.7679,10,0 SH2_00292,1.1859,-227.756,8,10 SH2_00293,1.2332,-227.7187,8,7 SH2_00294,1.4142,-227.6799,8,11 SH2_00295,1.2729,-227.6721,6,2 SH2_00296,1.1813,-227.6254,8,2 SH2_00297,1.1946,-227.5894,8,4 SH2_00298,1.2311,-227.5875,10,9 SH2_00299,1.4117,-227.5713,6,12 SH2_00300,1.1967,-227.5639,6,8 SH2_00301,1.3141,-227.3703,8,0 SH2_00302,1.3445,-227.3453,8,2 SH2_00303,1.2141,-227.0673,12,0 SH2_00304,1.2603,-227.0176,8,0 SH2_00305,1.3672,-226.9924,6,4 SH2_00306,1.2574,-226.9357,12,6 SH2_00307,1.2177,-226.9193,10,0 SH2_00308,1.2336,-226.8643,6,0 SH2_00309,1.3367,-226.6578,10,11 SH2_00310,1.3809,-226.5337,12,10 SH2_00311,1.3798,-226.4746,10,6 SH2_00312,1.1507,-226.4398,10,6 SH2_00313,1.2209,-226.3679,10,4 SH2_00314,1.1371,-226.3207,8,4 SH2_00315,1.2657,-226.222,8,6 SH2_00316,1.1919,-226.2206,6,4 SH2_00317,1.3322,-226.2204,8,7 SH2_00318,1.0885,-226.1687,12,1 SH2_00319,1.3496,-226.073,8,15 SH2_00320,1.1609,-226.0434,10,0 SH2_00321,1.2156,-226.0353,6,8 SH2_00322,1.3248,-225.9906,6,14 SH2_00323,1.108,-225.9682,8,0 SH2_00324,1.2227,-225.8532,10,0 SH2_00325,1.4122,-225.8295,8,9 SH2_00326,1.0133,-225.7449,8,8 SH2_00327,1.0781,-225.7411,4,6 SH2_00328,1.3473,-225.7336,8,11 SH2_00329,1.0731,-225.728,12,0 SH2_00330,1.3062,-225.7218,8,2 SH2_00331,1.0881,-225.6374,10,3 SH2_00332,1.2225,-225.5977,8,0 SH2_00333,1.2042,-225.5724,10,0 SH2_00334,1.2242,-225.559,8,12 SH2_00335,1.3244,-225.5177,10,0 SH2_00336,1.2357,-225.506,10,2 SH2_00337,1.3494,-225.4837,0,12 SH2_00338,1.3496,-225.4733,6,8 SH2_00339,1.2498,-225.39,8,3 SH2_00340,1.329,-225.3329,6,8 SH2_00341,1.2348,-225.3269,4,10 SH2_00342,1.2621,-225.2736,6,8 SH2_00343,1.129,-225.26,8,4 SH2_00344,1.3069,-225.1331,8,8 SH2_00345,1.1366,-225.0994,10,4 SH2_00346,1.2809,-225.0798,2,8 SH2_00347,1.3518,-225.0067,8,8 SH2_00348,1.1696,-224.981,12,0 SH2_00349,1.0278,-224.9613,10,4 SH2_00350,1.3176,-224.8121,8,10 SH2_00351,1.2811,-224.743,10,5 SH2_00352,1.1278,-224.7063,10,4 SH2_00353,1.3475,-224.6613,6,6 SH2_00354,1.2169,-224.6552,10,9 SH2_00355,1.4161,-224.655,4,13 SH2_00356,1.2977,-224.6246,8,7 SH2_00357,1.3276,-224.6145,6,2 SH2_00358,1.199,-224.5421,14,0 SH2_00359,1.2988,-224.3847,8,5 SH2_00360,1.1049,-224.3665,6,8 SH2_00361,1.2312,-224.3335,12,0 SH2_00362,1.2048,-224.3283,8,8 SH2_00363,1.429,-224.3191,10,11 SH2_00364,1.4099,-224.2678,6,9 SH2_00365,1.3362,-224.254,4,9 SH2_00366,0.9804,-224.254,10,6 SH2_00367,1.356,-224.1837,8,8 SH2_00368,1.1958,-224.0392,4,10 SH2_00369,1.1898,-224.0318,4,4 SH2_00370,1.3266,-224.0284,2,12 SH2_00371,1.2033,-224.0122,10,8 SH2_00372,1.2421,-223.9838,10,0 SH2_00373,1.2417,-223.9447,12,6 SH2_00374,1.1566,-223.8779,8,8 SH2_00375,1.1972,-223.7987,10,0 SH2_00376,1.1145,-223.7897,8,11 SH2_00377,1.2448,-223.7379,8,13 SH2_00378,1.2667,-223.6991,10,3 SH2_00379,1.4518,-223.6771,6,19 SH2_00380,1.3582,-223.5612,8,13 SH2_00381,1.223,-223.5256,10,1 SH2_00382,1.1687,-223.4454,8,2 SH2_00383,1.3087,-223.4194,4,12 SH2_00384,1.2205,-223.3682,12,2 SH2_00385,1.3523,-223.3603,6,6 SH2_00386,1.405,-223.3358,8,16 SH2_00387,1.3179,-223.3185,10,5 SH2_00388,1.2195,-223.3079,8,0 SH2_00389,1.4382,-223.303,4,7 SH2_00390,1.3214,-223.1848,6,2 SH2_00391,1.075,-223.1404,8,9 SH2_00392,1.2768,-223.1193,8,6 SH2_00393,1.1793,-223.1081,6,2 SH2_00394,1.2847,-223.0238,4,9 SH2_00395,1.3989,-222.8719,10,8 SH2_00396,1.2581,-222.8652,12,4 SH2_00397,1.3094,-222.7331,4,12 SH2_00398,0.8631,-222.6143,8,7 SH2_00399,1.2436,-222.613,8,10 SH2_00400,1.304,-222.5482,6,6 SH2_00401,1.3427,-222.5289,8,1 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