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
---------------------------------------
TH2_00001,1.0887,-223.858,6,0
TH2_00002,1.0884,-217.164,6,0
TH2_00003,1.3626,-210.6543,2,6
TH2_00004,1.1249,-209.7322,4,0
TH2_00005,1.1314,-209.6744,4,0
TH2_00006,1.2623,-205.2759,4,6
TH2_00007,1.0464,-201.8021,4,3
TH2_00008,1.1723,-199.9764,4,2
TH2_00009,1.1608,-198.2318,4,6
TH2_00010,1.0344,-197.3596,4,1
TH2_00011,1.1708,-197.3139,4,6
TH2_00012,1.1479,-196.4714,4,0
TH2_00013,1.2484,-196.4314,2,3
TH2_00014,1.0532,-194.3833,6,4
TH2_00015,1.1475,-192.6823,4,3
TH2_00016,1.033,-192.6802,6,4
TH2_00017,1.2167,-192.1147,4,1
TH2_00018,0.9754,-191.2986,4,6
TH2_00019,1.2613,-191.1802,2,2
TH2_00020,1.1389,-190.6972,4,6
TH2_00021,0.9314,-190.3621,4,7
TH2_00022,1.0619,-189.9153,4,0
TH2_00023,0.9713,-189.8034,4,8
TH2_00024,1.1323,-189.303,4,8
TH2_00025,0.974,-189.2279,4,2
TH2_00026,1.1411,-189.175,4,0
TH2_00027,1.3542,-189.0118,0,3
TH2_00028,1.2413,-188.9721,4,0
TH2_00029,1.2949,-188.7257,0,1
TH2_00030,1.1668,-188.4199,4,1
TH2_00031,1.1792,-187.5213,4,6
TH2_00032,1.0061,-187.4955,4,1
TH2_00033,0.966,-187.4482,4,8
TH2_00034,1.0852,-187.1313,4,0
TH2_00035,1.3103,-187.0766,2,2
TH2_00036,1.174,-186.9293,4,0
TH2_00037,1.2382,-186.868,2,4
TH2_00038,1.003,-186.8455,4,1
TH2_00039,1.0181,-186.5636,4,7
TH2_00040,1.1467,-185.8994,4,2
TH2_00041,0.965,-185.7335,4,5
TH2_00042,0.9639,-185.7028,4,5
TH2_00043,1.1911,-185.5018,4,2
TH2_00044,1.1978,-185.3897,4,3
TH2_00045,1.0658,-185.383,6,0
TH2_00046,1.0765,-185.294,6,4
TH2_00047,1.156,-185.2648,4,2
TH2_00048,1.135,-185.1258,6,0
TH2_00049,1.2091,-185.0292,0,4
TH2_00050,0.9888,-185.0218,6,3
TH2_00051,0.926,-184.9859,4,0
TH2_00052,1.1925,-184.9461,4,3
TH2_00053,1.2305,-184.9006,2,4
TH2_00054,1.245,-184.1811,2,1
TH2_00055,1.3157,-184.1568,4,5
TH2_00056,1.1369,-184.0472,4,2
TH2_00057,1.1044,-183.9677,6,3
TH2_00058,1.0117,-183.8806,6,0
TH2_00059,1.0606,-183.8008,6,4
TH2_00060,1.1317,-183.7672,2,3
TH2_00061,1.2082,-183.7462,4,6
TH2_00062,1.171,-183.694,2,3
TH2_00063,1.167,-183.6798,4,2
TH2_00064,1.1794,-183.6569,2,2
TH2_00065,1.1964,-183.6409,4,0
TH2_00066,1.1237,-183.5889,6,0
TH2_00067,1.0102,-183.5291,4,7
TH2_00068,1.1795,-183.5196,4,5
TH2_00069,1.1677,-183.0772,4,2
TH2_00070,0.94,-182.9442,4,6
TH2_00071,1.1088,-182.6945,4,2
TH2_00072,1.009,-182.6684,4,6
TH2_00073,0.8923,-182.6588,4,7
TH2_00074,1.2389,-182.5819,2,0
TH2_00075,1.0117,-182.5056,4,6
TH2_00076,1.1118,-182.1848,4,0
TH2_00077,1.0893,-182.0012,6,4
TH2_00078,1.1573,-181.9667,4,5
TH2_00079,1.078,-181.9414,6,4
TH2_00080,1.1549,-181.5773,2,3
TH2_00081,0.6533,-181.5545,6,4
TH2_00082,1.0893,-181.4687,4,2
TH2_00083,1.1311,-181.4661,4,4
TH2_00084,1.1871,-181.3953,4,3
TH2_00085,1.1982,-181.3839,4,0
TH2_00086,1.1742,-181.219,4,0
TH2_00087,1.0998,-181.1889,4,4
TH2_00088,1.1632,-181.1645,4,5
TH2_00089,1.2951,-181.0992,0,4
TH2_00090,1.092,-181.0465,4,4
TH2_00091,1.1929,-181.0085,4,2
TH2_00092,1.1345,-180.9879,4,6
TH2_00093,1.2348,-180.9828,2,0
TH2_00094,1.1234,-180.9439,2,3
TH2_00095,1.1161,-180.9368,6,3
TH2_00096,1.0916,-180.879,4,4
TH2_00097,1.1918,-180.8413,4,3
TH2_00098,1.1368,-180.8256,4,0
TH2_00099,1.0363,-180.7599,6,0
TH2_00100,1.2339,-180.7351,2,0
TH2_00101,1.1976,-180.7078,4,0
TH2_00102,1.135,-180.7001,4,0
TH2_00103,1.1141,-180.6085,4,6
TH2_00104,0.9966,-180.5668,4,1
TH2_00105,1.231,-180.4665,0,0
TH2_00106,0.9205,-180.442,4,1
TH2_00107,1.1057,-180.3693,4,6
TH2_00108,0.913,-180.2453,4,6
TH2_00109,1.0074,-180.1376,4,0
TH2_00110,1.1536,-180.1131,4,0
TH2_00111,0.9513,-180.0226,6,0
TH2_00112,1.1208,-179.9397,2,4
TH2_00113,0.8533,-179.9079,4,0
TH2_00114,1.1227,-179.8577,4,2
TH2_00115,1.106,-179.7627,4,4
TH2_00116,1.1671,-179.7444,4,3
TH2_00117,1.1653,-179.6799,4,2
TH2_00118,0.8547,-179.6386,4,0
TH2_00119,1.2444,-179.5223,2,6
TH2_00120,0.9213,-179.495,4,1
TH2_00121,1.2631,-179.4919,4,6
TH2_00122,1.1367,-179.3595,6,0
TH2_00123,1.171,-179.3567,2,2
TH2_00124,0.652,-179.2262,6,6
TH2_00125,0.8797,-179.2158,4,7
TH2_00126,1.2266,-179.1995,0,2
TH2_00127,1.0819,-179.0128,2,2
TH2_00128,1.1635,-178.9759,4,0
TH2_00129,1.2922,-178.9726,0,5
TH2_00130,0.9448,-178.9551,4,6
TH2_00131,1.0749,-178.9159,4,0
TH2_00132,0.8776,-178.8001,4,0
TH2_00133,1.2506,-178.7518,4,0
TH2_00134,1.058,-178.6673,4,0
TH2_00135,1.1633,-178.6553,4,3
TH2_00136,1.1867,-178.5958,4,6
TH2_00137,0.7145,-178.587,6,0
TH2_00138,1.222,-178.4519,0,4
TH2_00139,1.1781,-178.3098,4,0
TH2_00140,1.2088,-178.237,2,1
TH2_00141,1.0952,-178.1804,4,4
TH2_00142,1.112,-178.0775,4,6
TH2_00143,0.938,-178.0079,4,6
TH2_00144,0.8884,-177.9432,4,0
TH2_00145,0.9787,-177.8897,6,0
TH2_00146,1.175,-177.6571,2,6
TH2_00147,1.1557,-177.5177,4,0
TH2_00148,0.9885,-177.378,4,0
TH2_00149,1.0927,-177.3,4,4
TH2_00150,1.1545,-177.263,4,3
TH2_00151,0.6486,-177.2063,6,3
TH2_00152,1.1586,-177.1406,2,5
TH2_00153,0.8667,-177.0765,4,3
TH2_00154,1.1529,-177.0561,2,4
TH2_00155,1.1333,-177.0462,2,4
TH2_00156,1.1061,-177.0346,4,0
TH2_00157,1.1012,-177.0288,4,4
TH2_00158,1.1796,-177.0272,6,6
TH2_00159,0.9696,-176.9508,4,1
TH2_00160,0.9099,-176.9493,4,0
TH2_00161,1.157,-176.9425,2,2
TH2_00162,0.8762,-176.9072,6,0
TH2_00163,1.0577,-176.899,2,2
TH2_00164,1.165,-176.8862,4,6
TH2_00165,1.1642,-176.6997,4,6
TH2_00166,1.0147,-176.6444,6,0
TH2_00167,1.2803,-176.6236,2,5
TH2_00168,1.0222,-176.5908,4,5
TH2_00169,1.171,-176.5304,4,3
TH2_00170,0.8969,-176.5223,4,5
TH2_00171,1.0383,-176.4852,4,0
TH2_00172,1.0083,-176.4515,4,1
TH2_00173,0.991,-176.4259,4,4
TH2_00174,1.1627,-176.4246,2,2
TH2_00175,1.0979,-176.4172,4,4
TH2_00176,0.9983,-176.3342,2,5
TH2_00177,1.0834,-176.3027,4,3
TH2_00178,1.1008,-176.0473,4,3
TH2_00179,1.105,-176.0266,4,0
TH2_00180,1.2232,-176.0265,2,5
TH2_00181,0.6585,-175.9809,6,4
TH2_00182,1.1438,-175.9558,4,0
TH2_00183,1.1272,-175.9404,4,2
TH2_00184,1.1668,-175.8909,4,0
TH2_00185,1.1378,-175.8865,2,2
TH2_00186,1.2406,-175.7092,2,8
TH2_00187,1.1297,-175.6964,4,4
TH2_00188,1.227,-175.6822,0,0
TH2_00189,1.0796,-175.6599,4,3
TH2_00190,1.2198,-175.6331,4,0
TH2_00191,1.1166,-175.5301,4,0
TH2_00192,1.0958,-175.5059,4,3
TH2_00193,1.1799,-175.4957,4,0
TH2_00194,1.1636,-175.466,4,6
TH2_00195,0.9305,-175.4366,4,3
TH2_00196,1.191,-175.4184,2,2
TH2_00197,1.1796,-175.4018,0,7
TH2_00198,0.7704,-175.3271,6,0
TH2_00199,1.1533,-175.2669,4,0
TH2_00200,0.9259,-175.1879,4,6
TH2_00201,1.117,-175.0566,6,1
TH2_00202,0.9695,-175.0258,4,5
TH2_00203,1.085,-175.0138,4,3
TH2_00204,1.0905,-174.9946,4,2
TH2_00205,1.1793,-174.9386,2,4
TH2_00206,1.0519,-174.9272,6,6
TH2_00207,1.1332,-174.9191,4,0
TH2_00208,1.0851,-174.9089,4,6
TH2_00209,1.0381,-174.796,4,3
TH2_00210,1.1425,-174.7106,4,1
TH2_00211,0.972,-174.6175,4,7
TH2_00212,1.0055,-174.5415,2,0
TH2_00213,1.1883,-174.5152,0,2
TH2_00214,1.0134,-174.5073,6,0
TH2_00215,1.0761,-174.2559,4,0
TH2_00216,1.0592,-174.1754,2,0
TH2_00217,1.215,-174.1179,2,0
TH2_00218,0.8307,-174.0649,6,3
TH2_00219,1.034,-174.0473,4,1
TH2_00220,1.0989,-173.9536,6,0
TH2_00221,1.0463,-173.9503,4,2
TH2_00222,0.9582,-173.9501,4,4
TH2_00223,0.9956,-173.8765,6,0
TH2_00224,1.1062,-173.8256,6,0
TH2_00225,1.1639,-173.792,4,3
TH2_00226,0.6567,-173.7744,6,6
TH2_00227,0.9027,-173.747,6,0
TH2_00228,1.2236,-173.712,2,3
TH2_00229,0.8624,-173.6946,4,2
TH2_00230,0.9707,-173.6502,4,3
TH2_00231,1.0304,-173.6246,4,2
TH2_00232,1.0508,-173.5792,6,1
TH2_00233,1.1235,-173.5732,4,3
TH2_00234,1.0825,-173.5525,4,3
TH2_00235,1.0861,-173.5482,4,3
TH2_00236,1.101,-173.5379,4,0
TH2_00237,1.1499,-173.4837,4,5
TH2_00238,1.1384,-173.4449,4,3
TH2_00239,1.203,-173.4369,2,8
TH2_00240,0.9694,-173.4185,4,3
TH2_00241,0.9337,-173.4065,2,0
TH2_00242,1.1795,-173.4024,0,4
TH2_00243,0.9875,-173.3703,6,0
TH2_00244,1.2445,-173.3686,0,3
TH2_00245,0.8955,-173.3291,6,0
TH2_00246,1.0978,-173.3142,6,0
TH2_00247,0.9417,-173.3017,6,0
TH2_00248,0.9299,-173.2985,4,8
TH2_00249,1.0579,-173.2882,2,0
TH2_00250,1.0608,-173.2713,4,0
TH2_00251,0.8848,-173.2456,6,0
TH2_00252,1.1607,-173.1423,4,3
TH2_00253,0.8716,-173.1349,4,7
TH2_00254,1.131,-173.1158,4,2
TH2_00255,1.1624,-173.0889,0,2
TH2_00256,0.9058,-173.0821,4,0
TH2_00257,1.2136,-173.0252,0,5
TH2_00258,1.2676,-172.9876,6,2
TH2_00259,1.1691,-172.9652,4,2
TH2_00260,0.9733,-172.9469,6,0
TH2_00261,1.0188,-172.9126,4,1
TH2_00262,1.1327,-172.9017,2,0
TH2_00263,1.0027,-172.8996,4,0
TH2_00264,1.0924,-172.8798,4,0
TH2_00265,0.8965,-172.8697,4,7
TH2_00266,0.7675,-172.8663,4,0
TH2_00267,1.0277,-172.7957,4,1
TH2_00268,1.2023,-172.7078,2,0
TH2_00269,1.0264,-172.6595,4,0
TH2_00270,0.8777,-172.6426,6,0
TH2_00271,1.1544,-172.5952,4,0
TH2_00272,1.125,-172.5943,4,3
TH2_00273,0.9587,-172.5403,4,4
TH2_00274,1.1818,-172.4896,2,0
TH2_00275,0.9989,-172.4851,6,2
TH2_00276,1.1071,-172.4053,4,1
TH2_00277,1.1142,-172.2702,4,0
TH2_00278,0.9259,-172.2287,2,0
TH2_00279,1.059,-172.2169,4,0
TH2_00280,0.9935,-172.2115,4,4
TH2_00281,1.1686,-172.1553,4,5
TH2_00282,1.2606,-172.1262,0,5
TH2_00283,1.1278,-172.1067,0,4
TH2_00284,0.9653,-172.0766,4,3
TH2_00285,1.1643,-172.0562,4,0
TH2_00286,1.2025,-171.9732,0,0
TH2_00287,0.8964,-171.9517,6,0
TH2_00288,1.0875,-171.936,4,3
TH2_00289,1.1656,-171.8534,4,2
TH2_00290,0.6534,-171.8346,6,3
TH2_00291,1.1739,-171.8062,4,3
TH2_00292,1.1024,-171.7878,4,4
TH2_00293,1.0029,-171.7815,6,0
TH2_00294,1.1976,-171.7691,0,2
TH2_00295,1.1468,-171.7372,2,2
TH2_00296,0.9098,-171.7339,4,5
TH2_00297,1.0627,-171.7132,4,0
TH2_00298,1.2561,-171.6904,0,5
TH2_00299,1.1151,-171.6877,2,2
TH2_00300,1.1285,-171.6843,2,4
TH2_00301,1.2491,-171.6591,4,6
TH2_00302,1.1755,-171.5828,2,5
TH2_00303,1.0297,-171.5325,4,1
TH2_00304,0.9268,-171.5264,6,2
TH2_00305,1.1805,-171.4805,2,0
TH2_00306,0.9446,-171.4651,4,7
TH2_00307,1.1392,-171.4558,4,3
TH2_00308,0.6847,-171.4264,6,3
TH2_00309,0.6351,-171.4002,6,0
TH2_00310,1.0587,-171.3861,4,4
TH2_00311,0.7938,-171.3081,4,0
TH2_00312,1.133,-171.293,2,0
TH2_00313,0.9323,-171.2633,4,4
TH2_00314,1.0679,-171.2513,4,1
TH2_00315,1.1737,-171.2153,0,6
TH2_00316,1.0641,-171.1922,0,6
TH2_00317,1.1738,-171.1779,2,6
TH2_00318,0.9215,-171.1752,4,2
TH2_00319,1.0767,-171.1394,6,0
TH2_00320,0.9731,-171.046,4,7
TH2_00321,1.0239,-171.0288,6,0
TH2_00322,1.1016,-171.0194,4,6
TH2_00323,1.0503,-170.9562,2,0
TH2_00324,1.1454,-170.9229,4,1
TH2_00325,1.045,-170.9004,4,1
TH2_00326,0.7549,-170.8977,4,0
TH2_00327,1.158,-170.8926,2,0
TH2_00328,1.1264,-170.874,6,1
TH2_00329,1.0817,-170.8437,2,0
TH2_00330,0.7049,-170.7907,6,0
TH2_00331,1.1151,-170.7808,2,0
TH2_00332,0.8287,-170.7714,4,3
TH2_00333,0.8882,-170.7365,6,0
TH2_00334,1.2063,-170.7354,0,0
TH2_00335,1.032,-170.7282,2,2
TH2_00336,1.0342,-170.7164,2,5
TH2_00337,1.2042,-170.6845,6,0
TH2_00338,1.1643,-170.6497,4,0
TH2_00339,1.1759,-170.6466,4,0
TH2_00340,1.0166,-170.6088,4,0
TH2_00341,0.9463,-170.6033,4,4
TH2_00342,1.126,-170.596,2,4
TH2_00343,1.052,-170.5932,2,2
TH2_00344,1.1017,-170.5924,4,2
TH2_00345,1.1127,-170.5586,2,6
TH2_00346,0.8802,-170.5016,4,7
TH2_00347,1.0988,-170.497,2,5
TH2_00348,1.1272,-170.4336,2,0
TH2_00349,1.1629,-170.3953,2,1
TH2_00350,1.0337,-170.38,2,2
TH2_00351,1.1251,-170.3481,4,3
TH2_00352,1.2307,-170.3427,4,1
TH2_00353,1.1889,-170.2957,0,6
TH2_00354,0.955,-170.295,2,2
TH2_00355,1.1091,-170.251,4,0
TH2_00356,1.1728,-170.2376,4,0
TH2_00357,0.9028,-170.2304,6,0
TH2_00358,0.9467,-170.1801,4,3
TH2_00359,0.9196,-170.1614,6,0
TH2_00360,0.9944,-170.138,4,1
TH2_00361,1.1429,-170.1028,4,3
TH2_00362,0.9464,-170.089,6,3
TH2_00363,1.1645,-170.0756,4,3
TH2_00364,0.879,-170.0583,4,0
TH2_00365,1.1548,-170.0486,2,0
TH2_00366,1.0186,-170.04,4,3
TH2_00367,0.9948,-169.9888,6,3
TH2_00368,0.6326,-169.972,6,2
TH2_00369,0.827,-169.9606,4,0
TH2_00370,1.0275,-169.9513,2,0
TH2_00371,1.0997,-169.9271,2,0
TH2_00372,0.9884,-169.9261,4,0
TH2_00373,1.1902,-169.8783,6,0
TH2_00374,1.0479,-169.8456,6,2
TH2_00375,1.1512,-169.8406,2,1
TH2_00376,0.8879,-169.8223,4,7
TH2_00377,1.2207,-169.8129,4,0
TH2_00378,1.0519,-169.7642,4,0
TH2_00379,1.1424,-169.7596,2,0
TH2_00380,1.1926,-169.7207,0,4
TH2_00381,1.0033,-169.7034,4,4
TH2_00382,1.1214,-169.6821,4,0
TH2_00383,0.9557,-169.6676,2,0
TH2_00384,1.154,-169.6364,4,6
TH2_00385,1.0952,-169.6276,6,0
TH2_00386,0.9248,-169.5987,4,0
TH2_00387,1.217,-169.4189,4,0
TH2_00388,1.1509,-169.3834,2,3
TH2_00389,1.2066,-169.2509,0,0
TH2_00390,1.1047,-169.2088,6,0
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