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lymerlevel.features.num_rings_sum_fullpolymerfeaturizer,fullpolymerlevel.features.num_non_aromatic_rings_sum_fullpolymerfeaturizer,fullpolymerlevel.features.num_aromatic_rings_sum_fullpolymerfeaturizer,fullpolymerlevel.features.topological_surface_area_sum_fullpolymerfeaturizer,fullpolymerlevel.features.fraction_bicyclic_rings_sum_fullpolymerfeaturizer,fullpolymerlevel.features.num_aliphatic_heterocycles_sum_fullpolymerfeaturizer,fullpolymerlevel.features.slogp_vsa1_sum_fullpolymerfeaturizer,fullpolymerlevel.features.molecular_weight_sum_fullpolymerfeaturizer,fullpolymerlevel.features.sp3_carbon_count_sum_fullpolymerfeaturizer,fullpolymerlevel.features.sp2_carbon_count_sum_fullpolymerfeaturizer,fullpolymerlevel.features.max_estate_index_sum_fullpolymerfeaturizer,fullpolymerlevel.features.smr_vsa5_sum_fullpolymerfeaturizer,fullpolymerlevel.features.fp_density_morgan1_sum_fullpolymerfeaturizer,fullpolymerlevel.features.total_halogens_sum_fullpolymerfeaturizer,fullpolymerlevel.features.fluorine_count_sum_fullpolymerfeaturizer,fullpolymerlevel.features.chlorine_count_sum_fullpolymerfeaturizer,fullpolymerlevel.features.bromine_count_sum_fullpolymerfeaturizer,fullpolymerlevel.features.single_bonds_sum_fullpolymerfeaturizer,fullpolymerlevel.features.double_bonds_sum_fullpolymerfeaturizer,fullpolymerlevel.features.triple_bonds_sum_fullpolymerfeaturizer,fullpolymerlevel.features.bridging_rings_count_sum_fullpolymerfeaturizer,fullpolymerlevel.features.max_ring_size_sum_fullpolymerfeaturizer,fullpolymerlevel.features.heteroatom_density_sum_fullpolymerfeaturizer,fullpolymerlevel.features.heteroatom_count_sum_fullpolymerfeaturizer,meta.polymer_class,raw_polymer_class,meta.psmiles_embed,BIGSMILES,meta.bigsmiles_embed [*]#C[SiH2]C#Cc1cccc(C#[*])c1,,*C#Cc1cccc(C#C[SiH2]*)c1,345.15,GREA,345.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,13,1,2.882221110666276,0,0,0,1,0,1,0.0,0.0,0,0.0,154.0238767,1,6,3.378541903,0.0,1.3636363636363635,0,0,0,0,4,0,3,0,6,0.2307692307692307,3,2.882221110666276,0,0,0,1,0,1,0.0,0.0,0,0.0,154.0238767,1,6,3.378541903,0.0,1.3636363636363635,0,0,0,0,4,0,3,0,6,0.2307692307692307,3,Polysiloxanes,Polysiloxanes/silanes,"[-1.8906e+00 -1.3767e+00 -1.0188e+00 2.8618e-01 1.8115e+00 -4.4233e-01 -1.2275e+00 -3.7984e-01 1.3975e-01 7.7083e-01 8.3695e-01 4.7508e-01 5.5092e-01 1.2278e+00 1.1916e-01 5.4726e-01 6.9609e-02 -9.3918e-02 -8.1655e-01 2.5957e-01 5.6230e-01 -1.0526e+00 -4.2342e-01 -1.5536e+00 -2.0267e-01 -6.1284e-01 1.3911e+00 -1.3946e+00 2.8649e-01 8.3846e-01 -1.1187e+00 -8.8662e-01 1.4603e+00 1.6644e+00 -1.4504e+00 6.9138e-02 1.3043e+00 6.1896e-01 1.1057e+00 -4.9759e-01 9.9243e-02 7.6886e-01 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[*]/C(C)=C(/[*])[Si](C)(C)CC[Si](C)(C)C,,*/C(C)=C(/*)[Si](C)(C)CC[Si](C)(C)C,473.15,GREA,473.15,,1,0.0,black,9,9.0,9,9,1,4.5,4.5,4.5,4.5,1.0,1,1,1,1,3.2807108400137506,0,0,3,0,0,0,0.0,0.0,0,0.0,160.1103537,9,0,2.462083333333333,44.82324832223838,1.1111111111111112,0,0,0,0,8,0,0,0,0,0.2222222222222222,2,5,1,3.1431973062780685,0,0,0,0,0,0,0.0,0.0,0,0.0,40.03130013,1,2,2.4444444444444446,6.923737199690624,3.0,0,0,0,0,3,1,0,0,0,0.4,2,4.441430501693152,0,0,4,0,0,0,0.0,0.0,0,0.0,198.1260038,10,2,2.6257870370370373,51.74698552,1.0833333333333333,0,0,0,0,12,1,0,0,0,0.2857142857142857,4,Polyvinyls,Polyvinyls,"[-2.1278e-01 -2.7910e-01 1.3229e+00 1.7966e-01 -1.0076e-01 4.7435e-01 5.8311e-01 1.1936e-01 4.4801e-01 7.7861e-01 8.5237e-01 -4.0947e-02 7.7072e-01 3.2802e-02 2.2016e-01 4.1879e-01 1.5455e-01 1.0706e-01 5.9629e-01 -1.0267e+00 6.9276e-01 -1.4195e+00 1.7550e-01 -4.3592e-01 -8.9456e-01 4.3710e-01 1.3337e+00 7.6008e-01 5.9181e-01 9.9190e-01 -1.6143e-01 6.9872e-01 2.7299e-01 -3.7151e-01 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[*]/C(C)=C(/[*])[Si](C)(C)C[Si](C)(C)C,,*/C(C)=C(/*)[Si](C)(C)C[Si](C)(C)C,473.15,GREA,473.15,,1,0.0,black,8,8.0,8,8,1,4.0,4.0,4.0,4.0,1.0,1,1,1,1,3.388924101358251,0,0,2,0,0,0,0.0,0.0,0,0.0,146.0947036,8,0,2.458333333333333,38.402426699312365,1.125,0,0,0,0,7,0,0,0,0,0.25,2,5,1,3.1431973062780685,0,0,0,0,0,0,0.0,0.0,0,0.0,40.03130013,1,2,2.4444444444444446,6.923737199690624,3.0,0,0,0,0,3,1,0,0,0,0.4,2,4.694440008596887,0,0,3,0,0,0,0.0,0.0,0,0.0,184.1103537,9,2,2.623912037037037,45.326163899002985,1.181818181818182,0,0,0,0,11,1,0,0,0,0.3076923076923077,4,Polyvinyls,Polyvinyls,"[-0.608 -0.3536 0.9725 0.0348 0.0471 0.4508 0.8916 -0.1242 0.4682 0.5843 0.8259 -0.1421 0.8433 0.0479 0.4675 0.4967 0.118 0.0918 0.346 -0.8942 0.7294 -1.3789 0.0477 -0.5667 -0.6801 -0.0805 1.4183 0.3877 0.6489 1.2578 -0.4023 0.7182 0.2089 -0.2859 -1.4355 1.0761 0.571 0.5648 0.185 -0.4259 -0.169 -0.319 1.1622 0.9069 -1.1373 1.4353 -1.6437 -0.1995 0.1895 -0.2174 -0.0707 1.1435 -0.459 1.0192 2.1676 0.201 -0.7501 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[*]=C(C#N)c1ccc(C(=O)OC2CCN(C(=[*])c3ccc(OC)cc3)CC2)cc1,,*/C(=C(\C#N)c1ccc(C(=O)OC2CCN(*)CC2)cc1)c1ccc(OC)cc1,456.15,GREA,456.15,,1,0.0,black,10,5.0,8,2,2,2.5,1.0,4.0,5.0,1.0,1,1,2,2,5.832085835,0,2,1,1,0,1,33.02,0.0,0,4.736862953800049,135.0684139,1,7,11.414166666666668,0.0,2.625,0,0,0,0,2,0,1,0,6,0.625,2,19,1,1.8975493070086715,0,3,4,2,1,1,29.54,0.0,1,0.0,229.1102787,5,12,12.03771589191232,18.94560963360032,1.3529411764705883,0,0,0,0,11,3,0,0,6,0.2631578947368421,5,1.522012556852551,0,5,6,3,1,2,62.56,0.0,1,4.736862953800049,360.1473925,6,19,12.464130675135053,18.94560963360032,1.0740740740740742,0,0,0,0,15,3,1,0,6,0.2413793103448276,7,Polyesters,"Polyesters/thioesters, Polyimines","[-1.4530e+00 8.1411e-01 -8.7630e-01 -1.9304e-01 2.6673e-01 1.9810e-01 -5.5154e-01 -7.3269e-01 -1.6812e-01 -3.0855e-01 7.4152e-01 1.4203e+00 1.6950e+00 -1.8278e+00 9.0267e-01 -8.8114e-01 9.3693e-01 3.8158e-01 -6.2782e-01 -7.9549e-01 8.6842e-01 -8.6702e-01 1.1628e+00 -6.9809e-01 -9.1424e-01 1.7612e-02 6.7781e-01 -7.0079e-01 -9.8908e-02 5.5521e-01 -1.7093e+00 -1.1037e+00 1.2639e+00 1.4635e+00 -1.7865e+00 8.1542e-02 1.0213e+00 -4.6162e-01 3.5449e-02 -6.4301e-01 -6.4309e-02 1.1720e+00 1.4382e+00 2.7107e-01 8.9633e-02 2.4377e+00 5.6042e-01 -1.1935e+00 -1.3625e+00 4.0806e-01 -1.2901e-01 -1.4081e+00 -1.0152e+00 -4.3414e-02 2.6048e+00 6.8149e-01 -4.7878e-01 -1.1284e+00 -7.4736e-01 1.2649e+00 -7.2997e-01 9.2916e-01 -1.5276e+00 5.1096e-01 1.0938e-01 6.8082e-01 -5.7299e-01 9.5732e-02 2.6510e-01 -5.3585e-01 -7.4021e-01 -9.1660e-01 -7.0296e-01 9.1606e-01 1.1535e+00 6.3549e-01 -5.2223e-01 -8.3597e-01 -6.3302e-01 -1.2054e+00 -1.4849e+00 -9.6223e-01 9.5126e-01 2.9765e-01 1.6651e+00 9.1187e-01 9.4915e-02 3.8579e-01 5.3495e-01 8.7443e-01 1.3162e-01 5.6517e-01 -1.1587e+00 -5.5910e-01 -2.6666e+00 5.9203e-01 -1.2840e+00 1.2749e+00 4.8111e-01 5.6622e-01 8.1670e-01 2.7443e-01 -4.6133e-01 2.4365e-01 2.4183e-01 -1.5210e+00 -1.5354e+00 7.6088e-01 2.2917e-01 -6.1078e-01 4.6820e-01 -6.4523e-01 8.6035e-01 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3.5584e-01 -3.3062e-01 -6.0851e-01 -8.3998e-01 3.9306e-01 5.6533e-01 2.7746e-01 4.1632e-01 1.1249e+00 6.9513e-04 1.7401e-01 -9.8649e-02 1.6843e-01 -8.1476e-02 -6.2408e-01 -4.0502e-01 5.0818e-01 -4.0919e-01 8.4039e-01 -1.1563e-01 2.7755e-01 2.6264e-01 7.3125e-01 7.6906e-01 4.9692e-01 9.2307e-01 -2.2542e-01 -2.6840e-01 -3.4104e-01 -3.0443e-01 2.6320e-01 1.6764e-01 -8.9018e-02 -3.4462e-02 6.3830e-01 -5.8258e-03 -9.2543e-01 9.4916e-03 7.3811e-01 3.2608e-01 -2.4864e-01 -9.9711e-02 -7.6103e-02 2.4141e-01 9.9596e-01 2.7901e-01 -4.8359e-01 -7.6128e-01 -5.3115e-02 -5.1976e-01 -2.6863e-01 -2.3198e-01 6.1732e-01 -5.1517e-01 6.2832e-01 6.8563e-01 -4.1416e-01 -1.1704e+00 -9.0572e-02 2.8340e-01 5.8109e-02 -7.3785e-02 9.5189e-01 9.9648e-01 -5.7819e-01 -3.1626e-01 5.1791e-01 1.0215e-01 -3.6432e-01 2.2840e-01 1.4741e-01 7.7806e-03 6.8509e-01 -1.6008e-01 6.8612e-02 1.3577e-01 -9.8142e-01 5.1065e-02 5.5928e-01 -4.5558e-01 -3.1273e-01 7.4083e-01 4.9256e-01 2.6494e-02 -1.1067e-01 8.3060e-03 8.9383e-02 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2.0318e-01 -7.4495e-02 4.8627e-02 -1.9704e-01 -1.2256e-01 -9.4438e-02 3.8770e-01 -3.8304e-01 2.4482e-01 -1.9197e-01 -8.1419e-02 -1.7830e-01 1.8535e-01 1.2819e-01 1.1607e-01 6.2024e-01 1.0299e-02 -4.7583e-01 -5.1318e-01 -1.3540e-01 -7.3466e-02 -3.2452e-01 -1.8264e-01 -7.8183e-02 1.7189e-01 -2.1061e-01 -4.2244e-01 2.9098e-01 -3.4737e-01 3.3281e-01 2.9332e-02 3.7499e-01 -3.8332e-01 1.9918e-01 5.7393e-01 -3.8840e-01 -1.8945e-01 -3.4741e-02 4.1950e-01 -3.0018e-01 -2.7900e-01 -3.0572e-01 -3.0170e-01 -1.2144e-01 -5.7802e-01 2.7321e-01 -3.3092e-01 -3.2241e-01 3.6132e-01 6.8613e-01 8.9119e-02 8.5476e-02 7.0387e-01 2.5389e-02 -1.3654e-02 -2.7887e-01 -9.1642e-02 2.2540e-01 -6.6200e-01 -5.4507e-01 1.4575e-01 -2.7100e-01 5.3774e-01 -4.1307e-01 5.4741e-02 -2.3952e-01 1.3347e-01 -4.2052e-01 -6.2628e-02 5.0707e-02 1.5654e-01 1.9244e-01 7.5122e-02 6.1361e-01 -2.5203e-01 1.2214e-01 -2.9317e-02 2.2796e-01 1.1841e-02 -3.4621e-01 -2.7503e-01 -1.2970e-01 -1.0796e-02 5.1775e-01 1.7823e-04 1.3842e-01 3.4960e-02 2.7070e-02 -3.1594e-02 7.3335e-01 -1.2365e-01 -5.1392e-01 2.5537e-02 2.3571e-01 3.8615e-01 1.5460e-01 1.5026e-01 1.6084e-01 -4.2330e-01 -8.8957e-02 2.3382e-01 -6.5500e-02 4.5622e-01 5.8816e-01 6.1165e-01 8.3533e-01 -4.2019e-01 -7.1462e-01 4.8548e-01 3.5690e-01 -8.1403e-01 4.1164e-02 -2.6123e-01 3.4541e-01 1.4687e-01 -2.7163e-01 8.7944e-02 -5.8528e-02 -1.2646e-01 -2.3750e-02 -1.2542e-01 3.4547e-01 -9.6560e-02 6.4603e-02 2.7381e-01 -3.8169e-01 4.7392e-02 -1.9475e-01 8.4824e-02 -3.9590e-01 -3.6195e-01 3.0481e-01 2.6182e-01 -7.1680e-02 7.8513e-02 2.1096e-01]" [*]=C(F)C(F)(F)ON(C(F)(F)F)C(F)(F)C(=[*])F,,*ON(C(F)(F)F)C(F)(F)/C(F)=C(\F)C(*)(F)F,266.15,GREA,266.15,,1,0.0,black,4,4.0,4,4,1,1.0,1.0,1.0,1.0,3.0,3,3,3,1,2.3237900077244498,0,0,0,0,0,0,0.0,0.0,0,0.0,70.00303469,4,0,9.666666666666666,6.679214094208089,1.0,3,3,0,0,3,0,0,0,0,0.75,3,14,1,4.322414967282522,1,2,5,0,0,0,21.26,0.0,0,5.480096598121202,192.996233,10,2,12.309847883597884,12.155053460762629,1.1666666666666667,6,6,0,0,11,2,0,0,0,0.7142857142857143,10,5.434771546177139,0,2,5,0,0,0,12.47,0.0,0,0.0,260.9836176,14,2,12.78727843915344,18.455286761192667,0.9375,9,9,0,0,15,2,0,0,0,0.7222222222222222,13,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-0.6985 -0.6505 -0.8115 -0.5198 0.4748 -0.4503 1.2477 -1.0082 -0.7802 -0.5571 0.2161 -0.0438 -0.7173 -0.8109 -0.7339 -1.2457 -0.1985 0.3551 -0.4591 -0.4023 0.3347 0.4698 -0.1817 -0.433 0.3129 -1.4024 0.4831 0.0606 -0.0059 0.2964 -0.6174 -0.5555 1.3783 0.2391 -0.2876 -0.4851 1.7973 -0.3924 -0.5209 0.8824 0.2558 0.3075 -0.3532 0.2491 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2.1617e-01 -5.4338e-04 2.0804e-02 2.7010e-01 8.2571e-02 -2.0787e-01 3.5968e-01 1.0961e-01 4.1690e-01 -7.2071e-02 -8.5747e-02 -1.3375e-01 2.1753e-01 3.4178e-01 -6.7879e-02 3.5021e-02 1.3395e-01 -6.4410e-01 -9.4261e-01 -2.3473e-01 -4.3527e-02 -3.3644e-01 -1.6304e-01 1.6332e-02 7.0581e-02 -6.6388e-02 -2.3383e-01 -2.0285e-01 -2.4205e-01 3.4026e-01 1.6825e-01 3.9088e-01 -6.9193e-01 3.6292e-01 6.9434e-01 1.8992e-01 4.5087e-02 -2.7016e-01 2.3756e-01 3.5984e-01 -3.0384e-01 -5.4298e-01 -3.0317e-01 2.5550e-01 -6.6731e-01 -2.2781e-01 -3.3608e-01 -3.0338e-01 4.2311e-01 2.9622e-01 -1.3024e-01 4.7254e-01 5.8960e-01 2.8179e-01 2.0273e-01 -1.1607e-01 1.3474e-01 3.5541e-01 -8.4669e-01 -1.9417e-01 1.6237e-01 1.1666e-01 5.8963e-01 6.0874e-02 -1.2854e-02 -4.7984e-01 -2.4650e-02 -9.4812e-02 2.5417e-02 3.4692e-01 4.2565e-01 6.0044e-02 5.8247e-01 7.0092e-01 -1.4307e-01 1.9317e-01 -2.4869e-01 3.0768e-01 5.1359e-01 -4.3535e-01 -2.1588e-01 4.0697e-02 2.6648e-01 4.8440e-01 -2.0597e-01 -2.2123e-02 4.2073e-02 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[*]=C(OC)c1ccc(C(=[*])OC)s1,,*/C(OC)=C(\OC)c1ccc(*)s1,364.15,GREA,364.15,,1,0.0,black,4,2.0,2,2,2,1.0,1.0,1.0,2.0,1.0,1,1,2,1,2.0,2,2,0,0,0,0,40.46,0.0,0,0.0,64.0524295,4,0,14.0,0.0,3.0,0,0,0,0,2,0,0,0,0,1.0,2,9,1,2.9847131061791163,0,1,2,1,0,1,0.0,0.0,1,0.0,108.0033711,0,7,2.400462962962963,0.0,1.4285714285714286,0,0,0,0,2,2,0,0,5,0.3333333333333333,3,2.8620670506634016,0,3,4,1,0,1,18.46,0.0,1,0.0,168.0245005,2,9,5.271448648904006,0.0,1.2727272727272727,0,0,0,0,6,2,0,0,5,0.3846153846153846,5,Polysulfides,Polysulfides,"[-0.2085 0.5673 -1.2205 -0.2578 -0.4816 -0.6463 0.4015 -0.1295 -0.7852 0.8941 0.3792 0.0571 0.4955 -0.8229 -0.0322 -0.035 0.9881 1.5985 -2.5736 -0.6191 1.2393 -1.0131 1.8604 0.3809 -0.8896 0.028 1.5583 -1.3799 -0.3861 -0.1103 -1.0297 -1.1348 0.3607 -0.4869 -0.5983 -0.0498 1.9661 -1.1687 1.0617 0.0084 -1.1024 -0.732 0.8032 0.0904 -0.01 2.0964 -0.3582 -1.7757 -0.9002 1.4095 0.2076 0.1343 -1.8003 -0.0353 0.8937 -0.2239 -1.3501 -0.3305 -0.7135 2.2147 -0.8024 0.3168 -1.7982 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2.0646e-01 -2.2571e-01 3.1944e-01 -2.5923e-01 -3.7784e-03 1.5257e-01 2.0541e-01 3.3324e-01 3.9239e-02 2.2792e-01 -3.1230e-01 -1.4832e-01 -2.5913e-01 1.6415e-01 4.0878e-01 5.8019e-03 -5.0579e-02 4.9785e-02 -2.8275e-01 -5.2979e-01 3.4578e-01 3.0452e-01 -5.5341e-01 -5.6737e-01 -4.6361e-01 -1.9656e-02 4.0247e-01 8.0494e-02 8.4407e-02 1.2174e-01 3.8236e-01 2.2699e-01 -3.8915e-01 2.0342e-01 -3.6422e-01 1.3929e-01 -2.4690e-01 6.2267e-01 -1.5002e-01 -2.7527e-01 4.6969e-01 -1.7748e-01 4.1276e-01 -2.4680e-01 -3.0418e-01 -3.5406e-01 -1.5691e-01 3.8333e-01]" 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0.4379 0.9759 0.4805 -1.7105 0.6303 0.3899 -0.1432 0.1398 -1.2078 -0.0942 -0.1039 0.9533 0.0212 1.3692 1.3702 0.6822 0.5024 0.4019 -0.0765 -0.2774 0.8839 0.4841 0.1358 0.8166 -1.172 0.4846 1.0016 -0.1672 -0.4713 -0.0395 0.4616 -0.4805 0.4651 0.6991 0.2 -0.9025 -0.2018 0.6678 0.3959 0.3016 0.9027 1.0922 0.6842 -0.2056 -1.4274 -0.6058 -1.1215 -0.284 -0.326 0.1205 0.5453 -0.2885 0.204 -1.623 0.0648 -0.3295 0.1072 0.4601 0.2255 -1.133 -0.8213 -0.7331 -0.4482 -0.8813 -0.1514 -0.863 -0.6202 -0.1564 -0.2149 1.0896 -0.0861 -0.6726 -0.6382 0.0861 -0.1845 0.3866 -1.4747 -0.1151 0.1374 -0.1017 1.384 -0.6442 -0.862 0.3378 -1.6489 0.9297 0.4881 -0.0661 -0.1407 0.9697 0.1695 -0.6469 1.6676 -0.6207 0.0525 0.4821 -0.6545]",{<=C1C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)c2cc(ccc21)c3ccc(s3)c4ccc(s4)c5ccc6c(c5)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C6=>},"[ 0.0609 -0.4957 0.7196 0.0613 0.4221 0.5538 -0.2618 -0.0235 0.2629 -0.651 -0.0974 0.0387 0.1902 0.3811 0.0714 0.7397 -0.1554 -0.4806 -0.4723 0.1851 -0.0971 -0.3814 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[*]=CCS(=O)(=O)CC(=[*])C,,*C/C=C(\C)CS(*)(=O)=O,361.35,GREA,361.35,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,10,1,4.1439648799720405,0,2,4,0,0,0,34.14,0.0,0,0.0,132.0245005,4,4,11.068888888888887,6.923737199690624,2.0,0,0,0,0,5,4,0,0,0,0.5,5,4.1439648799720405,0,2,4,0,0,0,34.14,0.0,0,0.0,132.0245005,4,4,11.068888888888887,6.923737199690624,2.0,0,0,0,0,5,4,0,0,0,0.5,5,Polysulfides,Polysulfones/sulfoxides/sufonates/sulfoamides,"[-1.5905e+00 -1.8583e+00 -1.6241e+00 5.4681e-01 -1.7692e+00 1.2927e+00 9.5846e-01 -3.2215e-01 -9.7612e-02 -2.0084e-01 1.4528e+00 -5.5253e-01 2.4682e-01 1.4060e-01 1.4418e+00 1.8120e+00 2.4745e+00 -7.7565e-01 -1.4538e+00 8.1193e-01 7.5213e-01 1.0944e-01 2.3994e-01 4.2085e-01 -6.9033e-01 6.3856e-01 1.9658e+00 -2.9109e-01 9.9997e-01 1.6747e-02 -8.7170e-01 1.1118e+00 1.8743e+00 -1.1546e+00 -9.6690e-01 1.9968e-01 1.0978e+00 -1.1781e+00 -6.7084e-01 5.6614e-01 1.0859e-01 -1.1461e+00 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[*]=Cc1cc(OC)c(/C=C(\c2ccc(OC)cc2)c2ccc(C(=[*])c3ccc(OC)cc3)cc2)cc1OC,,*/C(=C/c1cc(OC)c(/C=C(/c2ccc(*)cc2)c2ccc(OC)cc2)cc1OC)c1ccc(OC)cc1,443.15,GREA,443.15,,1,0.0,black,20,5.0,8,2,4,1.5107142857142857,0.4,4.0,6.042857142857143,3.5,1,6,14,2,7.664171670014181,2,4,2,2,0,2,58.92,0.0,0,9.473725907600098,280.1674592,6,14,23.828333333333333,0.0,5.25,0,0,0,0,6,0,0,0,12,1.25,4,18,1,2.127348257,0,0,4,2,0,2,0.0,0.0,0,0.0,204.0939004,0,16,2.3605469806999526,0.0,0.5625,0,0,0,0,4,3,0,0,6,0.1111111111111111,2,1.7859736427906585,0,4,10,4,0,4,36.92,0.0,0,18.94745182,476.1987594,4,32,5.796169343,0.0,0.5833333333333334,0,0,0,0,14,3,0,0,6,0.1578947368421052,6,Polyphenylenes,Polyphenylenes,"[-0.2611 0.6257 -0.8717 0.5063 -0.2519 0.0915 0.0672 -1.21 -0.8305 0.6854 0.177 -0.3174 1.103 -1.8005 -0.3919 -0.2592 0.8691 0.3787 0.1168 -0.2271 1.0076 -1.722 0.9044 0.5756 -0.4316 1.2056 2.1177 0.19 -0.2853 -1.0664 -0.9802 -0.2592 0.8106 -0.2971 -1.7018 0.7105 1.6536 0.1666 0.1374 0.3259 -0.1163 -0.1874 0.5696 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[*]=Cc1ccc(/C=C(\c2ccccc2)c2ccc(-c3ccc(C(=[*])c4ccccc4)cc3)cc2)cc1,,*/C(=C/c1ccc(/C=C(\c2ccccc2)c2ccc(-c3ccc(*)cc3)cc2)cc1)c1ccccc1,493.15,GREA,493.15,,1,0.0,black,12,6.0,6,6,2,1.875,0.75,3.0,3.75,4.0,1,7,8,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,24,1,1.7392673728151844,0,0,5,3,0,3,0.0,0.0,0,0.0,280.1252005,0,22,2.3672976561721275,0.0,0.4545454545454545,0,0,0,0,5,3,0,0,6,0.083333333,2,1.4311762857761714,0,0,7,5,0,5,0.0,0.0,0,0.0,432.1878008,0,34,2.376352865,0.0,0.4705882352941176,0,0,0,0,7,3,0,0,6,0.055555556,2,Polyphenylenes,Polyphenylenes,"[ 1.2860e-01 1.7920e-01 -1.1757e+00 1.2270e+00 7.3890e-01 1.2657e+00 5.8620e-01 -5.7190e-01 -7.8480e-01 6.5260e-01 7.0850e-01 1.5987e+00 1.1551e+00 -1.1642e+00 9.9000e-02 -2.9010e-01 4.6770e-01 -6.6600e-01 6.8660e-01 1.9300e-02 9.9020e-01 -8.6920e-01 9.5500e-01 -2.7400e-02 -1.0740e+00 6.7400e-02 1.4901e+00 5.1200e-01 -9.4600e-02 4.2110e-01 -5.8100e-01 4.7400e-02 6.3840e-01 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[*]=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccc(/C=C(\C#N)C(=O)NC6CCCCC6NC(=O)C(=[*])C#N)s5)cc4)cc3)cc2)s1,,*/C=C(\C#N)C(=O)NC1CCCCC1NC(=O)/C(C#N)=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccc(*)s5)cc4)cc3)cc2)s1,513.15,GREA,513.15,,1,0.0,black,16,4.0,6,2,4,0.5187908496732027,0.2222222222222222,1.0,2.075163399,9.0,1,16,36,2,12.0,0,2,0,2,0,2,47.58,0.0,0,0.0,210.1156984,0,12,17.0,0.0,3.666666666666667,0,0,0,0,0,0,2,0,12,1.0,2,52,1,0.9520480739069896,4,6,14,6,1,5,82.25999999999999,0.0,2,21.267154416025324,694.2436185,6,44,12.669838642450404,37.76696814999996,0.54,0,0,0,0,22,7,0,0,6,0.1923076923076923,10,0.9647618137414518,2,8,16,8,1,7,112.26,0.0,2,20.433396669713616,896.2967166,6,56,13.28174803209023,37.76696814999996,0.5303030303030303,0,0,0,0,26,7,2,0,6,0.1764705882352941,12,Polysulfides,"Polysulfides, Polyamides/thioamides, Polyimines","[-0.4043 -0.2954 -0.91 -1.5284 1.029 1.073 -1.2182 0.1034 -0.9389 -0.8062 -0.4231 1.8334 1.032 -0.9769 0.3681 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[*]=Cc1ccc(C(=[*])c2ccc(C(F)(F)F)cc2)cc1,,*/C=C(/c1ccc(*)cc1)c1ccc(C(F)(F)F)cc1,472.15,GREA,472.15,,1,0.0,black,10,10.0,10,10,1,5.0,5.0,5.0,5.0,1.0,1,1,1,1,2.966043178581663,0,0,0,1,0,1,0.0,0.0,0,0.0,146.0343348,4,6,11.78787037037037,6.176298517443475,0.9,3,3,0,0,4,0,0,0,6,0.3,3,10,1,2.999871950290996,0,0,2,1,0,1,0.0,0.0,0,0.0,102.0469502,0,8,2.3670748299319726,0.0,1.0,0,0,0,0,2,2,0,0,6,0.2,2,2.262247596603337,0,0,3,2,0,2,0.0,0.0,0,0.0,246.0656349,4,14,12.538291194597388,6.176298517443475,0.9444444444444444,3,3,0,0,7,2,0,0,6,0.25,5,Polyphenylenes,Polyphenylenes,"[-0.0126 0.2061 -1.9585 1.037 0.5078 -0.1365 1.2558 -0.4549 -1.1268 0.4206 1.1127 0.6895 0.6569 -1.6562 -0.8758 -1.0067 1.2843 0.1277 -0.5651 -0.8385 1.2735 -0.133 1.9259 -0.4901 0.228 -0.7316 0.9359 -0.3072 0.3889 0.4168 -0.7666 -0.5246 0.9725 0.3284 -1.4998 -0.8371 1.4989 -0.6639 0.253 -0.1158 0.6639 -0.4718 0.3355 0.9446 -0.9951 2.0288 -0.1125 -1.3801 -0.3666 0.5404 1.0308 -1.1116 -1.0081 0.1478 2.2123 0.8706 0.1464 -0.0516 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0.1676 -0.6832 0.893 -0.9295 1.3637 -1.6741 -0.1649 -0.4279 -0.7785 -1.2368 1.1771 0.5941 0.081 -0.7302 0.1517 1.6618 1.5859 -0.0813 0.0927 -0.0544 0.8804 -0.5077 0.4783 -0.7554 -0.5952 -1.9011 0.3311 -0.3819 0.6674 0.9327 1.5414 1.2788 1.1521 -2.0876 -2.4487 1.2466 0.9699 0.4598 -0.7401 0.1503 0.2457 0.2727 -0.2364 0.5441 -0.1874 0.6311 1.7304 0.9913 1.3102 -1.7116 0.474 1.0699 1.6675 -0.7701 -0.2919 -0.6237 -0.8853 0.1187 0.9971 -0.2596 -0.0035 -0.1493 -1.2133]",{<=Cc1ccc(cc1)C(c2ccc(C(F)(F)F)cc2)=>},"[ 0.355 -0.2597 -0.4015 0.5488 0.4014 0.3668 0.2771 0.2267 -0.216 -0.3646 -0.0089 0.23 0.6066 0.2267 0.4086 -0.6487 -0.1004 0.1225 -0.1063 0.0391 0.6341 0.0305 0.6328 -0.2043 0.4123 0.1129 0.3064 -0.8555 0.1506 0.6005 -0.0069 0.4084 0.1347 0.4953 -0.0872 -0.5344 0.3568 -0.2065 0.4887 -0.177 0.2817 -0.1223 0.1768 0.5739 -0.4317 -0.322 -0.2438 -0.7247 -0.2306 0.0926 0.3825 -0.4072 -0.4492 -0.0355 0.4032 0.085 0.3183 -0.1498 -0.6754 -0.0602 0.0782 -0.1897 -0.4889 -0.1936 0.6789 -0.3993 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[*]=Cc1ccc(N(c2ccccc2)c2ccc(C=C(c3ccc(OC)cc3)c3ccc(C(=[*])c4ccc(OC)cc4)cc3)cc2)cc1,,*c1ccc(/C=C(\c2ccc(OC)cc2)c2ccc(/C(=C/c3ccc(N(*)c4ccccc4)cc3)c3ccc(OC)cc3)cc2)cc1,470.15,GREA,470.15,,1,0.0,black,22,7.333333333333333,8,6,3,2.0,0.8571428571428571,4.0,6.0,4.333333333333333,1,6,13,2,8.664171670014182,0,2,2,3,0,3,18.46,0.0,0,9.473725907600098,294.1619799,2,20,11.828333333333331,0.0,2.583333333333333,0,0,0,0,4,0,0,0,18,0.25,2,25,1,1.6490654690212772,1,1,6,3,0,3,12.03,0.0,0,5.316788604006331,295.1360995,0,23,3.4537511864184154,0.0,0.5217391304347826,0,0,0,0,6,3,0,0,6,0.12,3,1.3459047827315638,0,3,11,6,0,6,21.700000000000003,0.0,0,14.373635638450576,583.2511292959999,2,43,5.466492086583907,0.0,0.5111111111111111,0,0,0,0,13,3,0,0,6,0.1063829787234042,5,Polyimines,Polyimines,"[-8.9877e-03 1.2581e-01 -6.4686e-01 9.0282e-01 1.3904e-01 1.5254e+00 1.2264e-01 -1.1368e+00 -1.0960e+00 1.0905e-01 1.0232e-01 1.3424e-01 7.8295e-01 -1.7553e+00 2.0457e-01 -4.6133e-01 3.1172e-01 -2.6264e-01 8.4005e-01 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[*]=Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(/C=C(\C#N)C(=O)NC4CCCCC4NC(=O)C(=[*])C#N)cc3)cc2)cc1,,*c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2NC(=O)/C(C#N)=C/c2ccc(N(c3ccccc3)c3ccc(N(*)c4ccccc4)cc3)cc2)cc1,512.15,GREA,512.15,,1,0.0,black,16,4.0,6,2,4,0.6448412698412699,0.2222222222222222,1.0,2.5793650793650795,6.5,1,11,26,2,12.000000000000002,0,2,0,2,0,2,47.58,0.0,0,0.0,210.1156984,0,12,17.0,0.0,3.6666666666666665,0,0,0,0,0,0,2,0,12,1.0,2,38,1,1.2749125937779389,4,4,10,4,1,3,82.25999999999999,0.0,0,21.267154416025324,478.2368762,6,30,12.542766295524354,37.76696814999996,0.6666666666666666,0,0,0,0,18,5,0,0,6,0.2105263157894736,8,1.2453544220088604,2,6,12,6,1,5,112.26,0.0,0,20.433396669713616,680.2899744,6,42,13.32834966465184,37.76696814999996,0.5961538461538461,0,0,0,0,22,5,2,0,6,0.1851851851851851,10,Polyamides,"Polyamides/thioamides, Polyimines","[-2.8198e-01 -1.9050e-01 -5.2651e-01 -9.5281e-01 1.2278e+00 4.1135e-01 -1.3923e+00 -4.3403e-01 -4.2666e-01 -2.9580e-01 2.7564e-01 9.7952e-01 9.5852e-01 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[*]=Cc1ccc(OCC(O)COC(=O)CCCCC(=O)OCC(O)COc2ccc(C(=[*])C)cc2)cc1,,*CC(O)COC(=O)CCCCC(=O)OCC(O)COc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,306.15,GREA,306.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,37,1,1.4924769153193056,2,8,17,2,0,2,111.52,0.0,0,9.473725907600098,484.209718,13,22,11.875054388034144,44.81495646689126,0.8285714285714286,0,0,0,0,22,4,0,0,6,0.2702702702702703,10,1.4924769153193056,2,8,17,2,0,2,111.52,0.0,0,9.473725907600098,484.209718,13,22,11.875054388034144,44.81495646689126,0.8285714285714286,0,0,0,0,22,4,0,0,6,0.2702702702702703,10,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters","[-1.4991e-02 -1.0599e-01 -6.3243e-01 5.0074e-01 -1.1432e+00 1.2812e-01 -1.0048e+00 -2.3966e-01 5.6525e-01 5.5908e-01 -3.0608e-01 1.5667e-01 5.7594e-01 -5.2263e-01 -2.2587e-01 2.3727e-01 1.8300e-02 -3.1909e-01 -3.2194e-01 -3.6274e-01 -3.9289e-01 2.6957e-01 -2.0782e-01 5.2271e-01 -2.2768e-01 1.3018e+00 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1.4432e+00 9.0322e-02 -3.9786e-01 1.2369e-01 1.0619e-01 -1.6011e+00 -8.4667e-01 -5.7299e-01 1.0462e-01 2.8263e-01 8.4187e-01 -6.8467e-01 1.3010e-01 3.0294e-01 5.8688e-01 7.5005e-01 5.0293e-02 1.3352e-01 -4.1917e-01 1.5764e-01 7.4713e-01 -7.6859e-01 5.9926e-01 -2.7580e-01 -6.5542e-01 -2.6486e-01 4.7859e-01 6.2055e-01 -8.6409e-01 5.1469e-01 6.7103e-01 -2.0157e-01 6.3242e-01 1.0740e+00 -1.1901e-01 -4.3032e-01 -9.4024e-01 -1.1447e-01 2.8978e-01 1.2727e-02 3.0123e-01 -3.0933e-02 -1.5973e-01 9.8068e-01 7.1074e-01 -3.0927e-01 -3.1605e-04 -1.2060e+00 3.4960e-01 4.7944e-01 3.3503e-01 1.5444e+00 5.5038e-01 1.0909e+00 -2.2169e-01 -2.6822e-01 -9.9880e-01 4.6552e-01 -7.7511e-02 2.1369e-01 2.6561e-01 -7.0832e-01 8.7883e-01 -5.5522e-01 1.1061e+00 -5.6037e-01 -1.7907e-01 -6.2493e-01 -2.9418e-01 5.5000e-01 5.5739e-01 3.1226e-02 7.0155e-01 -9.3128e-01 4.6317e-01 -4.9702e-02 -1.2013e+00 -3.1637e-01 3.2769e-01 -6.8155e-01 -7.0061e-01 6.0952e-03 3.4108e-01 -2.6800e-01 -3.7616e-01 -9.1274e-01 6.8126e-01 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2.9684e-01 8.5955e-01 -2.6289e-01 -2.4939e-01 -2.7478e-01 1.2276e-01 -7.0491e-01 -6.6561e-01 2.9169e-01 9.9021e-02 7.4837e-01 3.5538e-01 -5.5449e-01 6.5682e-01 2.4344e-01 3.7231e-01 3.7902e-01 2.9403e-01 -2.7305e-01 2.2252e-01 -3.2644e-02 8.4583e-01 -6.8730e-01 -2.1393e-01 5.2455e-01 -2.6879e-01 1.1943e-01 -3.2051e-02 2.6685e-01 -1.3878e-01 2.3116e-01 3.9321e-01 6.2580e-02 5.6329e-01 5.3988e-01 -6.0968e-01 -1.8232e-01 -7.0375e-01 -2.1235e-01 5.1763e-01 1.6733e-02 1.6824e-01 9.0476e-02 2.4051e-01 6.7560e-01 -3.7126e-02 -1.3597e-01 4.4296e-01 -2.6138e-01 4.9664e-02 1.0290e-01 -1.2965e-01 4.7027e-01 5.7460e-01 3.9874e-01 3.2058e-01 -4.0883e-01 -7.2571e-01 1.7868e-01 4.7101e-02 1.9582e-01 7.0140e-01 -4.4374e-01 4.3840e-02 -8.0737e-01 7.5183e-01 1.3197e-01 -1.0597e-01 3.0615e-03 4.4308e-01 2.3129e-01 6.0355e-01 4.0654e-01 1.7123e-01 -9.6847e-02 1.7993e-01 5.1043e-01 8.8015e-02 8.6010e-02 -1.1812e-01 -4.1991e-01 3.2456e-01 7.2439e-02 -1.0111e-01 -1.2139e-01 -1.0013e+00 -2.2214e-01 4.0533e-01 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[*]=Cc1ccc(OCC(O)COC(=O)CCCCCCCCC(=O)OCC(O)COc2ccc(C(=[*])C)cc2)cc1,,*CC(O)COC(=O)CCCCCCCCC(=O)OCC(O)COc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,303.15,GREA,303.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,41,1,1.4029964569036493,2,8,21,2,0,2,111.52,0.0,0,9.473725907600098,540.2723182399999,17,22,11.932825353104736,70.49824295859531,0.7435897435897436,0,0,0,0,26,4,0,0,6,0.2439024390243902,10,1.4029964569036493,2,8,21,2,0,2,111.52,0.0,0,9.473725907600098,540.2723182399999,17,22,11.932825353104736,70.49824295859531,0.7435897435897436,0,0,0,0,26,4,0,0,6,0.2439024390243902,10,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters","[ 0.0763 -0.2773 -0.8084 0.4428 -1.2473 0.3098 -0.7729 -0.0635 0.1015 0.3625 -0.3562 -0.1237 0.5252 -0.5859 0.0992 0.6175 -0.1035 -0.4776 -0.0571 -0.0742 -0.4973 0.4173 -0.2333 0.4623 -0.2967 1.2607 0.256 -0.7314 -0.6192 -0.8128 -0.6826 -0.485 1.3926 -0.1258 -0.3504 0.0405 -0.8279 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[*]=Cc1ccc(OCCOCCOCCOc2ccc(C(=[*])C)cc2)cc1,,*CCOCCOCCOc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,289.15,GREA,289.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,27,1,1.4382596509319812,0,4,13,2,0,2,36.92,0.0,0,9.473725907600098,340.1674592,9,16,5.678300075727673,6.923737199690624,0.8,0,0,0,0,14,2,0,0,6,0.2222222222222222,6,1.4382596509319812,0,4,13,2,0,2,36.92,0.0,0,9.473725907600098,340.1674592,9,16,5.678300075727673,6.923737199690624,0.8,0,0,0,0,14,2,0,0,6,0.2222222222222222,6,Polyoxides,Polyoxides/ethers/acetals,"[-0.1259 -0.1535 -2.0228 0.8879 -0.8385 0.6194 0.0304 -0.1255 -0.2452 1.4457 0.4115 -0.6369 0.8641 -0.452 -0.2376 0.4024 1.7798 0.2537 0.6011 -1.5642 0.9462 -0.609 0.5396 0.209 -0.6582 1.5049 1.0427 -0.025 -1.0487 -0.4761 -1.374 0.5335 2.1419 0.6426 -1.368 -0.1056 0.3419 -1.0154 -0.1839 0.3895 -0.1217 0.1589 -0.6405 0.7769 0.1462 0.8779 -0.1059 -0.9249 -0.5704 -0.5577 -0.1412 -0.7818 0.0961 -1.1569 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[*]=Cc1ccc(OCCOCCOc2ccc(C(=[*])C)cc2)cc1,,*CCOCCOc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,312.15,GREA,312.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,24,1,1.558687878787155,0,3,10,2,0,2,27.69,0.0,0,9.473725907600098,296.1412445,6,16,5.678880308361764,6.923737199690624,0.9090909090909092,0,0,0,0,11,2,0,0,6,0.2083333333333333,5,1.558687878787155,0,3,10,2,0,2,27.69,0.0,0,9.473725907600098,296.1412445,6,16,5.678880308361764,6.923737199690624,0.9090909090909092,0,0,0,0,11,2,0,0,6,0.2083333333333333,5,Polyoxides,Polyoxides/ethers/acetals,"[-0.1112 -0.199 -1.744 0.7504 -0.4812 0.3716 0.1167 -0.2018 0.3234 1.4661 0.6944 -0.2412 0.7208 -0.4747 0.1829 0.0221 1.4693 0.1987 0.7505 -1.3697 0.6289 -0.5583 0.4217 0.1166 -0.585 1.3992 1.4079 -0.4112 -0.3528 -0.157 -1.5514 0.3186 2.1783 0.973 -1.3372 0.197 0.48 -1.1815 -0.3011 0.0579 -0.2483 0.1421 -0.3132 1.0034 0.2196 0.859 -0.1811 -1.1959 -0.4612 -0.6858 -0.3652 -0.7741 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[*]=Cc1ccc(Oc2ccc(-c3nnc(-c4ccc(Oc5ccc(C=[*])cc5)cc4)o3)cc2)cc1,,*c1ccc(Oc2ccc(/C=C/c3ccc(Oc4ccc(-c5nnc(*)o5)cc4)cc3)cc2)cc1,488.15,GREA,488.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,35,1,1.2456454627342817,0,5,8,5,0,5,57.38000000000001,0.0,1,9.473725907600098,430.1317424,0,33,5.937738407,0.0,0.5151515151515151,0,0,0,0,8,2,0,0,6,0.2,7,1.2456454627342817,0,5,8,5,0,5,57.38000000000001,0.0,1,9.473725907600098,430.1317424,0,33,5.937738407,0.0,0.5151515151515151,0,0,0,0,8,2,0,0,6,0.2,7,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-0.5473 -0.1884 -1.8559 0.5689 0.289 1.1014 0.7545 -0.5397 -0.7887 1.2731 0.59 -0.2169 -0.7708 -0.6863 0.5036 -0.3577 1.1107 -0.4124 0.8562 -0.5973 1.3085 -1.7041 0.7049 0.6979 -0.7868 0.7291 1.6301 -0.2903 -1.2335 0.4774 -0.998 0.5776 1.7162 0.9398 -1.6584 -0.6462 0.2892 0.0378 -1.2094 0.1911 -0.3218 -0.5578 0.7105 1.1183 0.1183 2.2303 0.1208 -1.3345 -0.6123 0.6081 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[*]=Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(/C=C5\CCC(=[*])C5=O)cc4)cc3)cc2)cc1,,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(/C=C4\CC/C(=C\c5ccc(*)cc5)C4=O)cc3)cc2)cc1,508.15,GREA,508.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,39,1,1.2331770944470084,0,5,8,5,1,4,69.67000000000002,0.0,0,9.473725907600098,506.1187948,3,34,13.16026981997834,22.63261019688757,0.6486486486486487,0,0,0,0,13,6,0,0,6,0.2051282051282051,8,1.2331770944470084,0,5,8,5,1,4,69.67000000000002,0.0,0,9.473725907600098,506.1187948,3,34,13.16026981997834,22.63261019688757,0.6486486486486487,0,0,0,0,13,6,0,0,6,0.2051282051282051,8,Polyoxides,"Polyoxides/ethers/acetals, Polyketones/thioketones, Polysulfones/sulfoxides/sufonates/sulfoamides","[-2.2215e-01 -1.0769e+00 -2.0265e+00 7.3268e-01 -9.7462e-02 6.7489e-01 2.2584e-01 8.9696e-02 -3.5358e-01 1.1117e+00 9.8642e-01 6.4736e-01 -5.1479e-01 -1.1261e+00 3.5022e-01 -7.3474e-02 1.5625e+00 -1.5905e+00 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[*]=Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C5(c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(/C=C%10\CCCCC(=[*])C%10=O)cc9)cc8)cc7)cc6)CCCCCC5)cc4)cc3)cc2)cc1,,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(/C=C9\CCCC/C(=C\c%10ccc(*)cc%10)C9=O)cc8)cc7)cc6)cc5)CCCCCC4)cc3)cc2)cc1,469.15,GREA,469.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,77,1,0.7515292592459991,0,9,16,10,2,8,122.27,0.0,0,18.94745182,1030.320925,13,62,13.698715809217289,89.2051406,0.3866666666666666,0,0,0,0,30,8,0,0,7,0.1688311688311688,13,0.7515292592459991,0,9,16,10,2,8,122.27,0.0,0,18.94745182,1030.320925,13,62,13.698715809217289,89.2051406,0.3866666666666666,0,0,0,0,30,8,0,0,7,0.1688311688311688,13,Polyoxides,"Polyoxides/ethers/acetals, Polyketones/thioketones, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.8616 -0.7232 -1.9484 0.8702 0.3682 1.2338 0.1029 -0.4439 -0.3251 0.5818 1.31 0.9994 0.5497 -2.0885 -0.1977 0.7954 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[*]=Cc1ccc2c(c1)c1cc(/C=C(\C#N)C(=O)OCCCCCCOC(=O)C(=[*])C#N)ccc1n2CCCCCCCCCCCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1,,*/C=C(\C#N)C(=O)OCCCCCCOC(=O)/C(C#N)=C/c1ccc2c(c1)c1cc(*)ccc1n2CCCCCCCCCCCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1,360.15,GREA,360.15,,1,0.0,black,33,11.0,29,2,3,1.780952380952381,0.2,4.142857142857143,5.342857142857143,5.333333333333333,1,9,16,2,7.622619281300486,0,5,14,2,0,2,99.95,0.0,0,4.736862953800049,449.267842,11,18,23.68403667695602,64.71113180602472,3.7586206896551726,0,0,0,0,16,2,2,0,6,1.137931034482759,6,31,1,1.466202902038869,0,5,11,3,0,3,65.49000000000001,0.6666666666666666,1,0.0,388.1548832,6,23,11.995452995999706,25.68328649170404,0.8620689655172413,0,0,0,0,13,5,0,2,6,0.2258064516129032,7,0.9933297188234572,0,10,27,5,0,5,157.48000000000002,0.4,1,4.736862953800049,832.3836000040001,17,41,12.828551120458163,90.01543750395072,0.6451612903225806,0,0,0,0,32,7,2,2,6,0.203125,13,Polyesters,"Polyesters/thioesters, Polyimines","[-1.1096 -0.9604 -1.1257 -1.1102 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[*]=NP(=NP(=NC(=[*])Oc1ccc(Br)cc1)(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1)(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1,,*=NP(=NP(=NC(=*)Oc1ccc(Br)cc1)(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1)(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1,318.15,GREA,318.15,,1,0.0,black,40,8.0,8,8,5,2.6666666666666665,2.0,4.0,13.333333333333332,2.2,1,3,11,1,15.162277660168378,5,5,0,5,0,5,101.15,0.0,0,0.0,859.7618844,5,35,43.67916666666666,0.0,5.625,5,0,0,5,10,0,0,0,30,1.25,10,8,1,3.405228923929077,0,1,3,0,0,0,37.08,0.0,0,0.0,116.9645703,0,6,4.002621882086168,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,0.875,7,1.7605341796299618,0,6,13,5,0,5,83.23000000000002,0.0,0,22.83185160064732,970.6795045,7,39,6.765013975497606,0.0,0.4565217391304347,5,0,0,5,18,4,0,0,6,0.3541666666666667,17,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-1.2156e+00 -1.1333e+00 -2.0326e+00 -1.1535e+00 -5.4506e-01 1.2902e+00 -1.6085e+00 -1.0904e-01 -5.7189e-01 6.5551e-02 1.7057e-01 -5.4372e-02 -7.6853e-01 -1.0190e+00 1.2732e+00 -4.4403e-01 -2.3751e-01 6.2172e-02 1.2601e-01 7.2101e-01 5.0174e-02 -1.0129e+00 -1.1953e+00 7.6168e-01 -2.6678e-01 6.3014e-01 8.3689e-01 -1.2320e+00 4.2257e-01 3.8928e-01 4.3082e-01 1.7649e+00 8.3821e-01 -3.6733e-01 -1.0440e+00 -8.7637e-01 2.4029e+00 1.2714e+00 -1.8468e+00 6.7072e-01 -5.8322e-01 2.5025e-01 1.1605e-03 -6.5079e-01 1.2655e+00 5.3691e-01 4.5832e-01 4.9347e-01 -7.8975e-01 1.2691e-01 -2.7125e+00 -1.0773e+00 4.8550e-01 9.5689e-01 1.6367e+00 -3.8659e-01 -1.8653e-01 -1.2629e+00 1.7799e+00 1.5484e-01 -9.0775e-03 1.7709e+00 -1.5268e-01 3.4138e-01 -1.5838e-01 -5.9785e-01 1.6581e+00 3.8878e-01 6.1893e-01 -5.9686e-01 -1.7046e+00 -9.3080e-02 1.5379e-01 1.3800e+00 1.1595e+00 3.5639e-01 -5.5995e-01 1.7523e-01 -2.3853e+00 -1.1959e+00 1.0625e+00 1.8490e+00 -7.2581e-02 6.9451e-02 7.8559e-01 4.5893e-01 5.1126e-01 -5.6377e-01 -1.2354e+00 -5.3912e-01 2.3206e-02 1.4132e+00 -2.2283e-01 2.1068e-01 -2.1241e+00 6.2017e-01 -3.4751e-01 -1.1706e+00 -2.3155e-01 -1.5288e+00 -2.4393e-01 5.4864e-01 1.6044e+00 8.7543e-01 5.5335e-01 -1.1536e+00 -4.8911e-01 -2.9524e-01 5.8453e-01 6.7849e-01 2.9857e-01 5.3040e-01 -1.4290e-01 -3.6948e-01 1.4104e-01 1.9900e-01 6.6339e-01 -1.2193e+00 -6.2116e-01 -7.4311e-02 -8.5317e-01 7.1552e-01 -3.4479e-01 1.9242e-01 6.8058e-01 -3.1241e-01 -1.2211e+00 1.6225e-01 1.0077e+00 7.9031e-01 6.9397e-01 -7.0085e-01 1.0805e-01 -6.1351e-01 -6.0073e-01 1.8945e+00 -9.5224e-01 -1.0704e+00 -4.8716e-01 3.0325e-01 -9.6180e-01 -1.0662e+00 4.7255e-01 3.8052e-01 -1.6293e-01 2.6973e-01 -9.8211e-01 -1.8730e-01 -1.0588e+00 6.6233e-01 2.7141e-01 3.0473e-01 3.3830e-01 -4.5161e-02 -1.1387e-01 1.7195e+00 -7.1755e-01 8.9335e-01 9.1952e-02 -2.9893e-01 3.6009e-01 7.3139e-01 -1.1659e-01 5.3075e-01 1.2194e+00 -2.6483e-01 -8.5337e-01 -1.4946e+00 -1.4861e+00 -5.0277e-01 1.1736e+00 8.9378e-01 -2.8618e-01 -1.1171e+00 -4.0929e-04 1.6674e+00 1.3545e+00 3.9773e-01 -6.6386e-01 1.2496e+00 -7.0789e-01 -2.3602e+00 1.0902e+00 -1.0052e+00 2.1949e-01 -7.9051e-01 -8.7281e-01 -1.1929e-01 -5.7788e-01 -9.5607e-01 6.2654e-01 1.1634e+00 7.9621e-02 3.3181e-01 -2.2459e-01 1.1795e+00 4.1343e-01 8.8717e-01 -1.1624e-02 -3.2724e-01 -7.3138e-01 -9.6958e-01 -8.8260e-01 -9.2658e-01 1.3904e+00 1.4391e-01 8.2422e-02 7.7732e-01 3.1432e-01 1.1494e+00 1.3741e-01 8.9446e-01 -7.8375e-01 -2.4629e-01 -1.5188e-01 -6.1607e-02 -1.4906e-01 4.3886e-01 -1.0763e+00 -5.7536e-01 -5.1740e-01 6.1615e-01 -2.3423e+00 1.1711e+00 2.4835e-02 -2.2982e+00 -8.4119e-02 -1.3367e+00 5.2868e-01 1.9001e-01 1.3828e-01 -7.4129e-01 2.9605e-01 -1.1738e+00 8.0129e-01 6.7770e-02 2.0357e-01 1.3326e+00 1.4342e+00 5.0878e-01 -7.8917e-01 -6.6042e-01 -9.7174e-01 7.3308e-01 4.3305e-01 1.3586e+00 1.0190e+00 -1.3889e+00 -3.7910e-01 8.8545e-01 -3.2986e-01 -5.7550e-01 -1.2803e+00 -3.5317e-01 -4.0152e-01 -7.7901e-04]",{<=NP(Oc1ccc(Br)cc1)(Oc1ccc(Br)cc1)=NP(Oc1ccc(Br)cc1)(Oc1ccc(Br)cc1)=NC(Oc1ccc(Br)cc1)=>},"[ 1.7058e-02 -5.4539e-01 -7.6447e-01 -3.1595e-01 -4.2392e-01 9.3882e-01 -9.7482e-01 2.2814e-01 2.9062e-01 3.0301e-01 2.8423e-02 -2.0858e-01 -7.6091e-01 2.9416e-03 1.9916e+00 4.6491e-01 -8.3717e-01 -4.8221e-02 6.0396e-01 1.0005e+00 -3.7495e-01 7.9657e-02 -2.6362e-01 4.7487e-01 -2.2166e-01 1.0415e-01 -1.2367e-01 -5.4244e-01 7.5006e-01 4.2775e-01 3.7516e-01 1.9211e+00 1.4206e-02 5.6125e-02 -6.3364e-01 -1.3770e-01 7.7061e-01 6.3715e-01 -8.1418e-01 3.4547e-01 -2.4297e-01 2.0438e-01 1.6208e-01 -1.8921e-01 1.1436e+00 -2.9019e-01 3.9712e-01 2.6688e-01 -6.7971e-01 -2.2392e-01 -1.5745e+00 -1.1425e-01 8.4632e-01 6.1798e-01 -4.5824e-01 -4.0376e-01 1.2879e-01 -8.1586e-01 1.4848e+00 -5.9449e-01 -4.1311e-02 4.9116e-01 1.0298e+00 -2.1619e-01 2.1508e-01 -5.0032e-02 4.3866e-01 3.3674e-01 5.2517e-01 -3.2895e-01 -2.9759e-01 3.8696e-01 -6.2943e-01 1.6076e-01 6.5459e-01 -3.2634e-01 3.3956e-01 3.3843e-01 -1.2098e+00 -4.4912e-01 9.8426e-01 5.5571e-01 1.3123e-01 1.9239e-01 6.4816e-01 4.5162e-01 3.2330e-02 -2.4562e-01 -5.1512e-01 -8.0590e-01 -5.7073e-01 6.1352e-01 3.0171e-01 3.0511e-01 -9.4320e-01 -3.3576e-02 -1.0290e-01 -1.0372e+00 -3.4374e-01 -5.5045e-01 1.0557e-01 -5.7671e-01 7.8941e-01 -9.5376e-02 2.0748e-01 1.3499e-01 4.3888e-01 -1.2441e+00 4.9218e-01 1.2796e-01 3.1990e-01 1.5404e-01 -3.5817e-01 2.4178e-01 5.3423e-02 -5.1390e-01 2.0195e-01 -3.6798e-01 1.2594e-01 -1.1458e-01 8.4256e-02 8.5962e-01 -9.1097e-01 2.9724e-01 7.3261e-01 -4.4007e-01 -7.9767e-01 3.4180e-01 4.6828e-01 9.1459e-01 1.2524e+00 3.7806e-01 -6.1649e-03 -2.7993e-01 3.1883e-01 1.3623e+00 -4.2514e-01 2.3160e-01 1.7340e-02 -3.2747e-01 -3.2523e-01 -1.2696e-03 2.9415e-01 6.9875e-01 1.2280e-01 5.4004e-01 -3.7713e-02 -9.6358e-02 -2.6067e-01 5.9836e-02 5.2025e-01 2.6418e-01 5.1219e-01 8.6077e-01 1.2757e-01 1.4450e+00 -5.4786e-01 -5.5400e-02 4.6904e-01 3.7107e-01 8.8642e-01 -3.0800e-01 -3.5278e-01 -4.4013e-01 -1.4137e-01 2.1646e-01 -1.7338e-01 -9.0170e-01 -4.8578e-01 1.3708e-01 4.5432e-01 6.7957e-01 -5.0196e-01 -1.3770e+00 5.7250e-01 1.8061e-01 9.1019e-01 5.2596e-01 -5.2265e-01 7.1460e-01 5.1648e-01 -1.1089e+00 1.0515e+00 -5.5271e-01 -9.2919e-02 -7.9842e-01 -5.7869e-03 -2.3963e-01 -3.8128e-01 -8.8529e-02 2.0787e-01 6.6511e-01 -2.0240e-01 6.0939e-01 -2.8835e-01 6.7924e-01 1.9657e-01 -5.9869e-02 4.4473e-01 1.9591e-01 -4.7679e-01 -4.0602e-01 3.4901e-01 -1.2252e-01 1.6298e-01 6.2871e-01 -3.9535e-01 5.8466e-01 -2.0580e-01 4.8097e-01 8.4161e-01 2.0128e-01 -1.1498e-01 1.9677e-01 1.0155e-01 -6.7368e-02 2.6247e-01 7.8862e-01 -6.4627e-01 -1.0831e-01 -5.5829e-01 3.8925e-01 -1.1840e+00 1.3993e-01 -7.1698e-02 -1.5603e+00 1.0089e-01 -4.0372e-01 1.6402e-01 -5.2662e-02 -6.0136e-01 -5.0375e-01 -2.1936e-01 -4.5381e-01 5.8741e-01 -3.2531e-01 -5.6982e-01 6.2457e-01 7.9502e-01 -6.5203e-01 -1.0585e+00 -5.7952e-01 -4.1144e-01 6.0913e-01 -4.3649e-01 3.9209e-01 3.0442e-01 -8.5052e-01 5.0613e-01 5.2896e-01 -7.7758e-01 -7.4694e-01 -9.5847e-01 -1.1798e+00 -2.5316e-01 6.3096e-01]" [*]=NP(=NP(=NC(=[*])Oc1ccc(C(=O)OC)cc1)(Oc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1)(Oc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1,,*=NP(=NP(=NC(=*)Oc1ccc(C(=O)OC)cc1)(Oc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1)(Oc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1,325.15,GREA,325.15,,1,0.0,black,55,11.0,11,11,5,3.6666666666666665,2.75,5.5,18.33333333333333,2.2,1,3,11,1,14.476740179943784,5,15,5,5,0,5,232.65,0.0,0,0.0,760.2367206,5,50,54.10435563114135,0.0,6.8181818181818175,0,0,0,0,20,5,0,0,30,1.3636363636363635,15,8,1,3.405228923929077,0,1,3,0,0,0,37.08,0.0,0,0.0,116.9645703,0,6,4.002621882086168,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,0.875,7,1.7894947585876448,0,16,18,5,0,5,214.73,0.0,0,22.83185160064732,871.1543407,7,54,12.394225966554814,0.0,0.4098360655737705,0,0,0,0,28,9,0,0,6,0.3492063492063492,22,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-1.1428 -0.419 -1.4847 -0.2025 -0.1727 0.2187 -0.7754 0.043 -0.351 -0.8797 -0.5706 -0.0243 1.1127 -1.1584 0.4659 -0.2705 0.2141 0.7089 -0.7047 1.1273 -0.2729 -0.6575 0.2417 0.955 -0.8101 0.54 1.6841 -1.0358 -0.6416 -0.2098 0.0118 -0.2995 0.003 -0.3645 -0.8037 0.425 0.42 -0.1699 -0.2572 0.1932 -0.3741 -0.0666 -0.2983 -0.2684 0.9047 1.0551 0.7243 -0.4081 -0.5554 0.4886 -0.7861 -0.957 -1.3508 0.5176 1.8163 -0.5369 -0.2566 -0.9406 0.3062 0.0479 -0.126 0.4677 -0.5459 -0.9442 0.0842 0.1301 1.1937 -0.3496 0.0418 0.0578 -0.9344 -0.2011 0.1708 0.9871 1.4991 0.6787 0.111 -0.6041 -0.6736 -1.5009 0.382 -0.9374 -0.6296 0.6782 0.3313 0.529 -0.061 0.6342 -0.8105 1.1225 0.2321 1.2559 0.0415 -0.2055 -1.1798 0.1104 -0.1925 0.6727 0.5916 0.2212 0.7694 1.2735 1.1156 0.7066 -0.5397 -1.1689 -0.7244 -0.6366 0.2985 -0.0329 0.042 -0.9508 -0.0493 -0.1804 0.7801 0.9189 -0.3958 -0.7725 -0.609 -0.8986 0.0607 0.0734 0.7789 0.0585 -0.2394 0.2434 0.2481 0.6186 0.9008 -0.2818 0.7806 -0.3698 0.4341 -0.2093 -0.0101 1.5887 -0.8221 -0.0059 -0.3047 -0.4955 -0.5025 -0.3387 -0.6593 0.9748 -0.0749 0.2615 0.0971 -0.3144 0.3008 0.7513 1.0591 0.4359 0.8294 1.2196 0.1707 0.3024 0.0453 0.4531 -1.0482 -0.7851 -0.0163 0.8391 0.2399 0.6946 1.676 0.5121 0.1827 -0.4512 0.1281 -0.4647 1.7023 0.9893 -0.3117 -0.3055 -0.9087 1.7826 -0.0255 1.7238 -0.5266 0.1699 0.4646 -1.4019 0.3725 0.2783 0.6444 -0.3938 -0.9028 1.0374 -0.2905 -1.1798 -0.0632 0.4177 0.0399 -1.3015 0.0865 0.3236 0.2631 -0.3733 0.2744 -0.4473 -0.7327 -0.4652 -0.386 0.7895 0.7981 -0.8867 -0.8523 -0.6798 0.0649 0.9323 -0.2786 0.7471 -0.5344 -0.8341 -0.197 0.1573 0.0242 0.349 -0.6404 0.3098 -1.1992 0.9777 -1.1014 1.2025 -0.1171 -1.3088 0.4358 -1.1026 0.8576 -0.2469 0.6445 -1.3951 0.2082 -2.0907 0.5291 0.3102 -1.1962 -0.3889 0.2137 0.9832 -0.5525 0.1487 -0.4973 -0.1873 -0.3473 2.1097 -0.5192 -0.1763 -0.3315 0.485 -0.3652 -0.3077 -1.1457 -0.0457 -0.6142 0.2702]",{<=NP(Oc1ccc(C(=O)OC)cc1)(Oc1ccc(C(=O)OC)cc1)=NP(Oc1ccc(C(=O)OC)cc1)(Oc1ccc(C(=O)OC)cc1)=NC(Oc1ccc(C(=O)OC)cc1)=>},"[ 0.0754 0.0453 -0.018 0.2355 -0.0648 -0.1744 -0.4229 0.6906 0.1834 -0.2183 0.1842 -0.1413 0.3271 0.3549 1.0357 -0.0512 -0.1973 0.5989 -0.4576 1.0803 -0.6657 -0.1639 0.6456 0.7645 -0.5041 0.1465 0.8339 -0.5477 0.1983 0.3794 -0.0812 0.1362 -0.2503 -0.5793 -0.2733 0.5648 0.6022 -0.4028 0.3201 -0.1357 -0.2162 -0.1173 -0.1745 -0.3197 1.0051 0.0254 0.315 -0.4617 -0.5058 0.5632 0.3399 -0.1447 -0.624 0.5976 -0.3208 -0.5885 -0.448 -0.212 0.5127 -0.8179 0.198 -0.1541 0.6496 -1.0303 0.634 0.2605 -0.2058 -0.1908 0.1462 0.1732 0.5934 -0.2247 -0.6763 -0.1905 0.8768 0.021 0.5629 0.0703 -0.1417 -1.0357 0.2697 -1.0157 0.1774 0.7593 -0.0235 0.4277 0.1742 0.841 -0.1397 0.4701 0.1573 0.3408 0.8596 0.0368 -0.1829 0.093 0.0661 0.0397 0.0567 0.6246 0.471 -0.0776 0.4168 0.0869 -0.4828 0.1435 -0.0489 -1.1194 0.2917 -0.2898 0.4912 -0.9741 -0.0404 0.1136 -0.0868 0.4592 -0.0484 -0.1971 -0.0133 -0.1947 0.6939 0.2297 0.4871 0.0918 0.2713 -0.223 0.5417 0.1172 0.7681 0.0831 0.2519 0.4555 0.7519 -0.3184 0.4947 1.3733 0.099 -0.1294 0.1917 -0.7487 -0.1918 0.6897 -0.6611 0.4835 0.1191 0.0281 -0.1674 0.0286 0.2705 0.8128 1.3084 0.5662 0.1639 1.1577 0.5867 0.8331 -0.0585 -0.556 -0.3181 -0.0576 0.646 -0.7079 0.2291 -0.3727 0.4047 0.6952 0.2254 -0.4238 0.4344 -0.0178 0.155 1.0518 -0.822 -0.8026 -0.6526 0.2899 0.379 1.1084 -0.306 -0.0328 0.4219 -0.1773 0.1476 0.0443 0.1638 -0.3198 -0.6196 0.5094 -0.2128 0.0604 -0.0941 -0.1812 0.0332 -0.444 -0.1839 -0.1892 0.049 -0.6401 0.7525 0.2402 -0.4192 0.457 0.6653 1.0897 -0.1817 0.0411 -0.7898 -0.741 -0.0721 0.2803 0.0812 0.1567 -0.0224 -0.0211 0.4806 0.0991 0.3493 -0.1594 -0.4808 0.2959 -0.4768 0.0335 0.1908 0.3963 -0.071 -0.9576 0.7081 -0.1674 0.6327 -0.7426 -0.4421 -0.531 -0.0966 -1.0089 0.2963 0.2934 -1.2487 0.0685 -0.0385 0.1964 -0.8115 0.1235 0.1099 -0.2388 -0.8841 0.7732 -0.1265 0.3677 0.0075 -0.1293 -0.12 -0.7548 -0.9421 -0.3981 -0.0897 0.7715]" [*]=NP(=NP(=NC(=[*])Oc1ccc(C(C)(C)C)cc1)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1,,*=NP(=NP(=NC(=*)Oc1ccc(C(C)(C)C)cc1)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1,347.15,GREA,347.15,,1,0.0,black,55,11.0,11,11,5,3.6666666666666665,2.75,5.5,18.33333333333333,2.2,1,3,11,1,14.968773941299636,5,5,0,5,0,5,101.15,0.0,0,0.0,750.5223253,20,35,45.111989795918376,130.93101034234326,5.0,0,0,0,0,25,0,0,0,30,0.4545454545454546,5,8,1,3.405228923929077,0,1,3,0,0,0,37.08,0.0,0,0.0,116.9645703,0,6,4.002621882086168,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,0.875,7,1.8075780098636496,0,6,13,5,0,5,83.23000000000002,0.0,0,22.83185160064732,861.4399454,22,39,7.1340806803475925,130.93101034234326,0.3770491803278688,0,0,0,0,33,4,0,0,6,0.1904761904761904,12,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-0.5397 0.1895 -0.7334 -0.1791 -0.1202 1.2789 -0.6866 -0.3109 -0.5018 -0.7124 -0.5566 -0.6505 0.9882 -0.7996 0.2257 -0.0355 0.1065 -0.3411 0.5424 0.2877 0.5639 -1.2114 0.2947 0.606 0.0923 0.9507 1.0506 -0.9545 -0.472 1.1079 0.4392 0.7638 0.087 -0.5533 -0.9481 0.4218 0.2786 0.5961 0.2025 -0.3235 0.365 0.186 0.7003 0.2885 0.8462 1.0459 -0.5757 -0.2144 -0.4805 -0.1129 -1.5398 -0.5657 -0.4098 0.2562 2.9667 -1.0451 0.1568 -0.5553 -0.5374 -0.4512 0.5439 0.6694 -0.0505 -0.1673 0.3646 -0.7955 1.4044 0.2309 0.2703 0.3227 -1.0226 0.3038 0.7543 0.5967 0.7352 -0.5518 0.34 -0.7422 -1.4006 -0.4694 0.1314 -0.3086 -0.6996 0.6158 0.7714 0.7383 0.7312 0.0701 -1.2749 -0.3241 0.1637 1.0817 -1.3699 0.1378 -0.5466 0.9245 -0.8391 0.5663 0.1354 -0.8175 0.3859 0.8842 0.3813 -0.511 -0.3744 -0.8505 -0.1704 0.1872 0.1351 0.9776 0.7147 0.2663 0.3511 -0.4837 -0.8783 1.0998 -0.7094 -1.7241 -0.7281 0.0216 -0.4287 0.3921 0.4042 -0.1101 0.7986 0.1367 -0.4635 0.5734 0.1003 -0.5003 0.5726 0.2649 -0.7675 -0.8433 -0.4843 1.8021 -0.1329 0.4883 -0.5997 0.3661 -0.3783 -0.784 -0.6254 1.1193 -0.4975 0.7149 0.2873 -0.7587 0.8372 0.094 -0.043 -0.6661 0.2322 -0.5107 -0.6045 0.1118 -0.2018 0.9968 0.4827 0.871 0.0187 1.4899 -0.9463 0.6657 1.449 -0.1139 -0.0465 -1.0039 -0.137 0.1592 1.5487 -0.386 -0.3164 -0.2573 -0.3777 1.4555 0.3477 0.5539 0.4134 0.2372 -0.0656 -2.1813 0.5535 -0.6588 0.3516 -0.1401 -0.6907 0.4714 -0.0981 -0.2425 -0.9833 0.5668 -0.2181 -1.304 -0.9787 -0.3587 0.5107 0.5534 -0.7607 -0.0429 -0.553 -0.6406 -1.0024 -0.5933 1.1099 0.0872 0.2069 -1.1738 0.6034 0.3118 0.2967 0.4012 -0.771 0.1486 -0.612 0.9826 0.2867 0.8036 -0.4122 0.5659 -0.2112 -0.0794 -0.8344 1.1332 -0.7258 -0.9665 0.23 -0.8965 0.8628 0.2877 0.7758 -0.0291 -0.0348 -1.6916 1.1765 0.6288 0.108 -0.5689 0.9871 2.2261 -0.2677 -0.1633 -0.7232 -1.0018 -0.1622 0.9889 -0.1205 -0.8248 -0.3698 0.2879 0.2065 0.0872 -1.6063 -0.2206 -0.213 -1.011 ]",{<=NP(Oc1ccc(C(C)(C)C)cc1)(Oc1ccc(C(C)(C)C)cc1)=NP(Oc1ccc(C(C)(C)C)cc1)(Oc1ccc(C(C)(C)C)cc1)=NC(Oc1ccc(C(C)(C)C)cc1)=>},"[ 0.4966 0.1712 -0.1042 -0.1539 0.0634 0.3172 -0.5636 0.0959 -0.3719 -0.3543 0.3286 -0.2562 0.1867 -0.0766 0.6087 0.0032 -0.6155 -0.1771 0.5717 0.6673 -0.3671 -0.0858 0.4829 0.6732 0.0103 0.3158 0.5446 -0.3644 0.2915 0.6233 0.2439 1.0514 -0.5202 -0.2651 -0.2882 0.9544 -0.0327 0.3175 0.2877 -0.1981 0.1934 0.4971 0.2785 -0.3293 0.8513 0.0591 -0.2857 -0.1574 -0.4033 0.029 -0.4431 0.1285 -0.1494 -0.065 0.4336 -1.0553 -0.2047 -0.2675 0.2445 -0.7074 0.3076 -0.3982 0.8587 -0.3068 0.4671 -0.7273 0.4389 0.4998 0.5387 -0.2688 0.2892 0.281 -0.2979 -0.4976 -0.0505 -0.7277 0.3555 -0.3016 -0.8493 -0.2087 0.3123 -0.4942 -0.131 0.1492 0.8501 0.5059 0.3564 0.461 -0.5474 -0.363 -0.2496 0.3234 0.1708 0.2194 -0.0876 0.7467 -0.1398 -0.1233 0.0322 0.0486 0.1199 -0.0408 -0.2302 -0.5369 -0.313 0.9773 0.3136 -0.9164 0.1627 -0.114 0.7473 -0.2708 0.2945 0.1078 -1.0678 0.0696 -0.3851 -1.1188 -0.1371 0.1719 0.3925 0.3493 0.2284 -0.3433 0.6462 0.0737 -0.3157 0.392 0.1554 -0.1831 0.408 0.2917 -0.3378 -0.9366 0.2245 0.9844 0.4977 0.6683 0.0266 -0.0602 -0.2821 0.1651 -0.4736 0.7945 0.0792 0.6495 0.5841 0.1282 0.1256 0.0577 0.4795 -0.0375 0.7985 0.0339 0.1786 0.6725 -0.227 0.2047 0.3642 0.9211 0.64 -0.283 -0.021 -0.2529 0.8158 0.0191 0.1535 -0.4935 0.2914 0.294 0.2176 0.1605 -0.8571 -1.1682 -0.3082 0.2532 0.2362 0.4694 0.187 0.5098 0.5942 -0.8745 -0.0142 -0.4863 0.2813 -0.3731 -0.2948 0.0227 -0.4717 0.4286 -0.8813 -0.1316 -0.5279 -0.3171 -0.3203 -0.0037 -0.1179 0.1609 0.3659 0.7784 -0.2377 0.1313 0.48 0.3237 -0.1649 0.8113 -0.4219 -0.5959 0.207 -0.1695 0.6051 -0.3138 0.2526 0.047 0.1703 0.2512 0.3501 0.8112 -0.5868 0.3677 0.0826 0.0267 0.1276 -0.0124 -0.9122 -0.2634 0.1011 -0.2789 -0.1683 -0.277 -0.1482 -0.0051 -0.2366 -0.2651 0.3796 0.2763 -0.6286 -0.0287 0.1548 0.4887 -0.3972 -0.3447 -0.1651 -0.4702 -0.324 0.4646 -0.4246 -0.2111 0.0537 0.2339 0.1875 -0.8978 -0.8914 -0.8691 -0.0348 0.2108]" [*]=NP(=NP(=NC(=[*])Oc1ccc(C(C)(C)c2ccccc2)cc1)(Oc1ccc(C(C)(C)c2ccccc2)cc1)Oc1ccc(C(C)(C)c2ccccc2)cc1)(Oc1ccc(C(C)(C)c2ccccc2)cc1)Oc1ccc(C(C)(C)c2ccccc2)cc1,,*=NP(=NP(=NC(=*)Oc1ccc(C(C)(C)c2ccccc2)cc1)(Oc1ccc(C(C)(C)c2ccccc2)cc1)Oc1ccc(C(C)(C)c2ccccc2)cc1)(Oc1ccc(C(C)(C)c2ccccc2)cc1)Oc1ccc(C(C)(C)c2ccccc2)cc1,328.15,GREA,328.15,,1,0.0,black,80,16.0,16,16,5,5.333333333333333,4.0,8.0,26.666666666666664,2.2,1,3,11,1,12.128529555906091,5,5,10,10,0,10,101.15,0.0,0,0.0,1060.600576,15,65,46.46483056185438,96.31232434389014,3.75,0,0,0,0,25,0,0,0,30,0.3125,5,8,1,3.405228923929077,0,1,3,0,0,0,37.08,0.0,0,0.0,116.9645703,0,6,4.002621882086168,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,0.875,7,1.1557199451557116,0,6,23,10,0,10,83.23000000000002,0.0,0,22.83185160064732,1171.518196,17,69,7.456098804,96.31232434389013,0.2790697674418604,0,0,0,0,33,4,0,0,6,0.1363636363636363,12,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-1.0042e-01 4.5964e-01 -8.5696e-01 2.7804e-01 4.3928e-01 1.4558e+00 -7.4210e-01 -1.7726e-01 1.0298e-01 -6.8502e-01 -9.5427e-01 1.9307e-02 1.3918e+00 -3.1787e-01 4.8462e-01 -1.3385e-01 -1.2108e-01 -5.0838e-01 6.8933e-01 4.1253e-01 5.4370e-01 -6.4595e-01 2.8282e-01 4.6745e-01 -3.1549e-01 1.3830e+00 9.9124e-01 -6.7473e-01 -1.9148e-01 5.9484e-01 -7.1798e-03 7.1821e-01 -2.9562e-01 2.8624e-01 -1.2237e+00 2.8874e-01 -8.2386e-02 1.2744e+00 6.6314e-01 -8.2497e-01 1.4733e+00 4.0280e-01 1.1385e+00 4.8504e-01 8.5967e-01 8.4699e-01 -1.4858e+00 -5.2266e-01 -1.0420e+00 -5.0627e-01 -2.0520e+00 -1.9262e+00 -3.9951e-01 6.5655e-04 2.5103e+00 -1.2120e+00 1.9217e-01 -1.0686e+00 -7.5453e-01 -4.7168e-01 -3.6209e-01 4.2278e-01 2.2173e-02 1.6082e-01 8.1758e-01 -1.0103e-01 9.3083e-01 6.6906e-01 -5.7145e-01 -1.9073e-01 -1.2465e+00 8.4072e-01 2.0621e-01 1.0883e+00 9.6426e-01 -5.5587e-01 1.0029e+00 -4.6822e-01 -1.6339e+00 -7.2335e-01 -4.0908e-01 -1.8496e-01 -5.4947e-01 -3.5609e-01 6.9549e-01 4.0475e-01 3.0407e-01 -3.9266e-01 -5.6632e-01 -1.0728e-01 2.6595e-01 1.0369e+00 -1.7387e+00 -7.6054e-01 -7.3664e-01 4.9376e-01 -1.1218e+00 6.3769e-01 4.3139e-01 -6.8871e-01 9.6842e-01 3.8032e-01 -2.0343e-02 -6.1940e-01 -1.0127e-01 -7.8180e-01 -7.9337e-01 2.7014e-01 1.0856e-01 3.2795e-01 1.2331e+00 -1.1625e-02 -3.3217e-01 -3.6084e-01 -8.4582e-01 5.1037e-02 -6.5880e-01 -2.0830e+00 -1.2414e+00 4.9621e-01 -1.1339e-01 3.2027e-02 2.6169e-01 7.1253e-01 6.4889e-01 7.6916e-01 -2.5789e-01 1.9196e-01 2.0457e-01 -2.3376e-01 9.3365e-01 5.4939e-01 -3.1461e-01 -6.4400e-01 -8.7052e-01 2.0400e+00 -6.1819e-01 2.2324e-01 -1.7757e-01 3.8814e-01 5.5660e-01 -1.3624e+00 -3.1604e-01 1.3199e+00 -2.4235e-01 3.6261e-01 2.5356e-01 -1.0731e+00 6.3157e-01 -7.6773e-02 -6.7843e-01 -1.4938e-01 1.2091e-01 -7.7760e-01 -9.3111e-01 -3.0421e-01 4.0564e-01 1.0935e+00 2.1854e-01 2.6933e-01 4.3504e-01 1.5529e+00 -9.3405e-01 8.5319e-01 1.9924e+00 6.2193e-01 9.2269e-04 -6.5894e-01 -5.6270e-01 -1.7104e-02 1.0510e+00 -5.6302e-01 -2.5209e-01 -9.9934e-01 1.0041e+00 1.5444e+00 -5.7425e-01 2.4107e-01 1.4735e+00 3.0769e-01 -7.3042e-01 -2.0605e+00 8.1713e-01 -3.2488e-01 9.2486e-01 4.7006e-02 -6.4621e-01 7.8395e-01 1.7734e-01 -8.7954e-01 -6.2095e-01 1.0322e+00 -7.3050e-01 -7.0376e-01 -3.9118e-01 -4.9938e-01 6.8902e-01 9.2334e-02 -5.6730e-01 3.0054e-01 -2.4681e-01 -5.1604e-01 6.1917e-02 -9.1148e-01 2.3940e-01 4.0094e-01 1.0778e-01 -5.4185e-01 3.3387e-01 -7.0254e-01 4.8858e-01 2.6354e-01 -7.5895e-01 1.3206e-01 -1.1294e+00 7.2153e-01 8.4240e-01 5.6341e-01 -2.1778e-01 -1.2647e-01 -1.0876e+00 6.4616e-01 -1.1925e+00 3.4256e-01 -8.3471e-02 -9.9655e-01 1.2134e-01 9.2978e-03 5.1575e-01 5.2711e-01 5.7039e-01 -5.6997e-01 -4.4331e-01 -1.1230e+00 3.5626e-01 6.6284e-02 -1.4717e-01 -3.1286e-01 6.3336e-01 1.9856e+00 -4.8596e-01 -2.7449e-01 -7.0249e-01 -1.3033e+00 9.2884e-03 1.1695e+00 -7.6207e-02 -9.0194e-01 3.9457e-01 9.1266e-01 7.7301e-01 -3.9667e-01 -9.5425e-01 -2.6268e-01 -4.4458e-01 -4.0293e-01]",{<=NP(Oc1ccc(C(C)(C)c2ccccc2)cc1)(Oc1ccc(C(C)(C)c2ccccc2)cc1)=NP(Oc1ccc(C(C)(C)c2ccccc2)cc1)(Oc1ccc(C(C)(C)c2ccccc2)cc1)=NC(Oc1ccc(C(C)(C)c2ccccc2)cc1)=>},"[ 0.8898 0.217 -0.2592 0.4571 0.4343 0.6451 -0.197 0.1206 0.2664 -0.2009 -0.1463 -0.2787 0.3572 0.6503 0.6813 0.5674 -0.702 -0.1792 0.3848 0.7135 -0.5937 0.0898 0.6361 0.4601 -0.1431 0.5825 0.5933 0.0335 0.2799 0.3575 0.1698 0.7522 -0.7279 0.235 -0.6932 0.6422 -0.0545 0.4486 0.5043 0.0438 1.0779 0.1414 0.6708 -0.034 0.5743 -0.2477 -0.7742 0.1215 -1.032 -0.2653 -0.9872 -0.6718 -0.1121 0.1643 0.4248 -1.1547 0.2316 -0.4069 -0.035 -0.6377 -0.0759 -0.5117 0.4871 -0.4913 0.5237 0.051 -0.0028 0.5268 -0.7626 -0.5314 -0.2428 0.3243 -0.4963 0.4351 0.1009 -0.3658 0.9674 -0.3518 -0.5953 -0.4149 0.1354 -0.5155 0.064 -0.1899 0.8375 0.4688 0.226 -0.0081 0.1164 -0.1534 -0.0425 -0.0637 -0.1765 -0.2233 -0.3576 0.5339 -0.6431 0.2158 0.1138 0.0158 0.5115 -0.7644 -0.3536 -0.8057 -0.3256 0.5474 -0.0943 -0.6024 0.2765 -0.1054 1.4673 0.2481 -0.11 0.3242 -0.6621 -0.8971 -0.5637 -0.6498 -0.4864 0.0439 0.251 0.218 0.2188 0.4664 0.704 0.6412 -0.4055 -0.0032 0.052 -0.1046 0.5064 -0.0554 0.0536 -0.3601 -0.2829 1.3515 0.3495 0.2955 0.361 0.1925 0.0387 -0.0832 -0.639 0.6024 -0.0935 0.0682 0.5632 -0.467 0.1974 -0.2129 0.0404 0.0406 0.385 -0.1722 0.0247 0.5843 0.1793 0.347 0.5701 0.6304 0.6331 0.085 -0.176 -0.5347 1.0656 0.5043 0.311 0.0925 -0.1311 0.5189 -0.0438 0.0074 -0.8047 -1.5634 0.8157 0.1995 -0.398 0.2464 0.8464 0.844 0.1584 -0.8492 0.0046 -0.2437 0.2199 -0.0744 -0.3365 0.2574 0.3273 0.0239 -0.3026 0.0273 -0.1935 0.3051 0.0721 -0.1111 0.0441 -0.1513 0.3251 0.6012 0.3933 -0.2801 0.9174 -0.4485 -0.721 0.9218 -0.4373 -0.5011 -0.3332 -0.639 0.5918 -0.4421 -0.1376 0.6138 -0.3548 0.2471 0.5112 0.4856 -0.3378 -0.0167 -0.814 0.3103 0.0101 -0.092 -0.3143 -0.3941 -0.0388 0.4365 -0.3386 0.2025 -0.3117 -0.2272 -0.3544 -0.1909 0.1962 0.1746 0.0442 0.1828 -0.2354 0.3341 -0.1402 -0.7758 -0.1277 -0.9484 -0.625 0.5669 0.1509 -0.2997 0.4398 0.3731 0.4781 -0.698 -0.3608 -0.7966 0.1291 0.2057]" [*]=NP(=NP(=NC(=[*])Oc1ccc(C(F)(F)F)cc1)(Oc1ccc(C(F)(F)F)cc1)Oc1ccc(C(F)(F)F)cc1)(Oc1ccc(C(F)(F)F)cc1)Oc1ccc(C(F)(F)F)cc1,,*=NP(=NP(=NC(=*)Oc1ccc(C(F)(F)F)cc1)(Oc1ccc(C(F)(F)F)cc1)Oc1ccc(C(F)(F)F)cc1)(Oc1ccc(C(F)(F)F)cc1)Oc1ccc(C(F)(F)F)cc1,304.15,GREA,304.15,,1,0.0,black,55,11.0,11,11,5,3.6666666666666665,2.75,5.5,18.33333333333333,2.2,1,3,11,1,14.968773941299636,5,5,0,5,0,5,101.15,0.0,0,0.0,810.1462472000001,20,35,59.18972978080121,30.881492587217373,5.0,15,15,0,0,25,0,0,0,30,1.8181818181818183,20,8,1,3.405228923929077,0,1,3,0,0,0,37.08,0.0,0,0.0,116.9645703,0,6,4.002621882086168,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,0.875,7,1.8075780098636496,0,6,13,5,0,5,83.23000000000002,0.0,0,22.83185160064732,921.0638673,22,39,13.584960608308212,30.881492587217373,0.3770491803278688,15,15,0,0,33,4,0,0,6,0.4285714285714285,27,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-8.3434e-01 -2.5418e-01 -1.6149e+00 -1.7218e-01 -3.4783e-02 6.6870e-01 -4.4477e-01 -2.5209e-01 -1.6586e-01 1.0003e-01 -9.5985e-01 -2.4538e-01 -2.0918e-01 -4.3901e-01 1.5680e-01 -9.9789e-01 -3.5410e-02 -6.9971e-02 -1.8307e-01 2.8743e-01 2.4484e-01 -1.1390e-02 8.5662e-01 4.3095e-01 9.0419e-01 1.1516e+00 6.3947e-01 -1.2474e+00 -8.0944e-01 1.1804e-01 5.3652e-01 6.3361e-01 6.1420e-01 -1.5999e-01 -1.1409e+00 -7.9541e-01 1.0902e+00 2.8198e-01 -2.5787e-01 2.2214e-01 2.7220e-01 6.3759e-02 -3.3081e-01 1.1216e-01 4.8443e-01 7.0453e-01 -6.1218e-02 -4.6832e-01 -4.5946e-02 1.0162e+00 -2.0292e+00 -1.4524e+00 -2.3997e-01 6.6865e-01 2.7347e+00 -4.3459e-01 3.5083e-01 2.7311e-01 4.1007e-01 -2.4776e-01 4.2055e-01 1.4467e+00 1.1436e-01 3.2812e-02 1.5187e-01 -1.0839e+00 1.3189e+00 -1.8727e-01 6.7505e-01 -9.7605e-02 -1.5622e+00 -1.0496e+00 6.6986e-01 8.0554e-01 6.7367e-01 -4.1667e-01 1.7664e-01 -5.3163e-01 -8.5548e-01 -1.3119e+00 1.1346e+00 2.4853e-01 -9.9880e-01 7.4105e-03 1.6943e+00 1.6707e+00 5.2052e-01 8.1175e-01 -1.5914e+00 7.6761e-01 -2.2603e-01 1.5966e+00 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-1.1315e+00]",{<=NP(Oc1ccc(C(F)(F)F)cc1)(Oc1ccc(C(F)(F)F)cc1)=NP(Oc1ccc(C(F)(F)F)cc1)(Oc1ccc(C(F)(F)F)cc1)=NC(Oc1ccc(C(F)(F)F)cc1)=>},"[ 0.2669 0.2844 -0.5328 -0.0074 0.1636 0.4058 -0.4174 0.2237 0.1619 0.0558 0.056 -0.3256 0.1885 0.395 0.8394 -0.5239 -0.3251 0.0658 -0.1717 0.3735 -0.3362 0.3836 0.855 0.2514 0.5595 0.5818 0.0792 -0.8221 -0.0017 0.2114 0.4585 1.0779 -0.1152 -0.2151 -0.4086 0.0305 0.4413 -0.1014 -0.255 -0.3406 -0.0902 0.3879 -0.2234 -0.0954 0.5841 -0.4162 0.0024 0.2206 -0.3984 0.6283 -0.4651 -0.6229 0.018 0.349 0.6293 -0.6238 0.1391 -0.2005 0.7934 -0.9186 0.2492 0.5015 0.5072 -0.6528 0.2633 -0.3129 -0.0609 0.3621 0.524 -0.628 -0.1879 -0.5834 -0.3603 -0.2716 0.5402 -1.177 0.686 -0.3203 -0.53 -0.9115 0.6823 -0.3994 -0.3512 0.2136 0.88 1.1971 -0.0988 0.6322 -0.4056 0.2912 0.0787 0.7196 0.2886 -0.0505 -0.0051 -0.1184 0.3063 -0.4764 0.1403 0.055 0.5698 -0.1615 -0.3683 0.1495 -0.2832 0.3831 -0.4166 -0.3069 0.4493 -0.3375 0.6657 -0.4639 -0.3219 0.3009 -1.1656 -0.4084 -0.5417 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-0.7902 0.1742 0.0271]" [*]=NP(=NP(=NC(=[*])Oc1ccc(OC)cc1)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1,,*=NP(=NP(=NC(=*)Oc1ccc(OC)cc1)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1,310.15,GREA,310.15,,1,0.0,black,45,9.0,9,9,5,3.0,2.25,4.5,15.0,2.2,1,3,11,1,14.40777938823068,5,10,5,5,0,5,147.3,0.0,0,23.684314769000245,620.2621474800001,5,40,43.98316326530612,0.0,6.111111111111112,0,0,0,0,15,0,0,0,30,1.1111111111111112,10,8,1,3.405228923929077,0,1,3,0,0,0,37.08,0.0,0,0.0,116.9645703,0,6,4.002621882086168,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,0.875,7,1.7565137867260403,0,11,18,5,0,5,129.38000000000002,0.0,0,46.51616636964757,731.1797676,7,44,6.796282738225379,0.0,0.4117647058823529,0,0,0,0,23,4,0,0,6,0.320754717,17,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-0.7635 0.0051 -1.3175 -0.0101 -0.3966 0.134 -0.31 -0.9376 0.0119 0.3845 -0.1263 -1.4606 0.3401 -0.7281 0.1913 -0.3604 0.6968 0.7137 0.195 -0.2386 0.6331 -1.0679 0.3864 0.478 0.2959 1.24 1.9635 -0.8329 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0.7993 1.6295 0.8193 0.413 -0.8243 0.7256 -0.2578 0.9686 1.0597 -0.3242 -0.7274 -0.7834 1.8131 0.6704 1.2985 -0.2593 0.3359 0.2098 -1.5132 1.451 -0.5138 0.9099 -0.4571 -0.7458 1.2847 -0.6603 -0.8158 1.5091 1.2894 0.7859 0.3178 -1.4965 0.7968 -0.025 0.0452 -0.3785 0.0702 -0.8106 -0.4243 0.5459 0.6766 0.3037 -0.9283 -0.4055 -0.2005 0.9083 1.8889 0.3126 0.861 -0.4509 -0.8043 -0.2967 0.452 -0.2095 -0.0927 -0.536 0.633 -0.2532 0.3547 -1.3719 1.8811 -1.0724 -1.2718 1.7425 -0.8852 1.0267 -0.875 0.0535 -0.6365 0.6523 -2.5658 0.539 1.1378 -0.2439 0.1115 1.9637 0.6686 -0.4525 -0.4248 -0.9807 0.1184 -0.3601 1.9013 0.5519 -0.5227 -0.5448 0.857 0.3357 -0.3136 -1.6679 -0.4016 -0.0391 0.0066]",{<=NP(Oc1ccc(OC)cc1)(Oc1ccc(OC)cc1)=NP(Oc1ccc(OC)cc1)(Oc1ccc(OC)cc1)=NC(Oc1ccc(OC)cc1)=>},"[-1.9983e-02 2.9078e-02 -2.5203e-01 1.9766e-02 -1.7567e-01 -2.6386e-01 -7.4186e-01 -5.5153e-01 6.0652e-01 6.5046e-02 2.6017e-01 -5.6227e-01 -1.8714e-02 1.9834e-02 1.0024e+00 2.3480e-01 -2.2945e-01 2.3986e-01 3.2838e-01 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[*]=NP(=NP(=NC(=[*])Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,,*=NP(=NP(=NC(=*)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,291.15,GREA,291.15,,1,0.0,black,35,7.0,7,7,5,2.333333333333333,1.75,3.5,11.666666666666668,2.2,1,3,11,1,15.107326548620431,5,5,0,5,0,5,101.15,0.0,0,0.0,470.2093241,0,35,43.16111111111111,0.0,5.0,0,0,0,0,5,0,0,0,30,0.7142857142857142,5,8,1,3.405228923929077,0,1,3,0,0,0,37.08,0.0,0,0.0,116.9645703,0,6,4.002621882086168,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,0.875,7,1.741795081880702,0,6,13,5,0,5,83.23000000000002,0.0,0,22.83185160064732,581.1269442,2,39,6.677480158730159,0.0,0.4634146341463415,0,0,0,0,13,4,0,0,6,0.2790697674418604,12,Polyphosphazenes,"Polyphosphazenes, Polyimines","[ 2.0162e-01 -1.1392e+00 -1.6167e+00 -4.2699e-01 1.9893e-01 -1.8186e-01 1.5793e-01 -1.1120e+00 2.6159e-01 9.8960e-02 6.9612e-02 -1.5361e-01 5.5288e-01 -5.4228e-01 1.2205e+00 2.1541e-01 -9.9328e-02 1.5655e-01 5.4306e-01 2.9775e-01 9.1394e-01 1.5991e-01 -8.6078e-02 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1.9221e+00 8.1224e-01 -2.6164e-01 3.8032e-01 2.1449e-01 -1.1129e+00 -2.2353e-01 -4.4516e-01 -4.3379e-01 5.1386e-01 -7.2690e-01 2.8376e-01 -6.9799e-01 -2.5039e-01 6.6672e-02 4.2613e-01 -1.3655e+00 -5.8881e-02 8.3957e-01 -4.6564e-01 8.1526e-01 -7.0604e-01 -4.0792e-01 -1.1339e+00 -1.3787e+00 2.2606e+00 -1.1059e+00 -6.4889e-01 4.8024e-02 1.1934e+00 -1.6556e+00 -2.0579e+00 -1.3910e-01 1.7521e-01 -5.5765e-01 -3.0734e-01 1.8471e-03 -6.8595e-01 -8.0221e-01 -1.4414e-01 1.7719e-01 -2.9514e-01 3.5456e-02 4.7320e-01 1.8793e-01 6.7024e-01 7.2503e-01 1.5134e+00 -4.4926e-02 -3.0849e-01 8.1038e-01 9.8739e-01 7.6201e-01 5.3055e-01 1.8304e+00 1.1933e+00 -4.8828e-01 -1.5639e-01 -2.1777e-01 -5.5661e-01 9.1342e-01 4.7135e-01 -5.1147e-01 -8.5205e-01 -8.5830e-02 1.3049e+00 -4.4714e-01 8.4302e-01 -4.4721e-01 8.6823e-01 -2.0363e-01 -1.5601e+00 2.1848e+00 2.5816e-01 1.1876e+00 -6.4708e-01 -2.7106e-02 1.3143e+00 -1.3589e+00 -9.5614e-01 1.5239e+00 -2.5142e-01 -5.6499e-01 1.3375e-01 -3.3840e-02 1.1360e+00 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[*]=NP(=NP(=NC(=[*])Oc1ccccc1C(F)(F)F)(Oc1ccccc1C(F)(F)F)Oc1ccccc1C(F)(F)F)(Oc1ccccc1C(F)(F)F)Oc1ccccc1C(F)(F)F,,*=NP(=NP(=NC(=*)Oc1ccccc1C(F)(F)F)(Oc1ccccc1C(F)(F)F)Oc1ccccc1C(F)(F)F)(Oc1ccccc1C(F)(F)F)Oc1ccccc1C(F)(F)F,253.15,GREA,253.15,,1,0.0,black,55,11.0,11,11,5,3.6666666666666665,2.75,5.5,18.33333333333333,2.2,1,3,11,1,15.705545952658976,5,5,0,5,0,5,101.15,0.0,0,0.0,810.1462472000001,20,35,59.44351851851852,30.881492587217373,5.454545454545454,15,15,0,0,25,0,0,0,30,1.8181818181818183,20,8,1,3.405228923929077,0,1,3,0,0,0,37.08,0.0,0,0.0,116.9645703,0,6,4.002621882086168,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,0.875,7,1.9925750074569428,0,6,13,5,0,5,83.23000000000002,0.0,0,22.83185160064732,921.0638673,22,39,14.561881577040603,30.881492587217373,0.3934426229508196,15,15,0,0,33,4,0,0,6,0.4285714285714285,27,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-3.4685e-01 -1.4880e+00 -1.3092e+00 -3.4009e-01 2.1993e-01 3.3445e-01 -3.9688e-01 -9.0228e-02 1.6164e-02 -3.4352e-01 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-1.7084e-01 1.0637e+00 -1.9803e+00 1.5223e-01 7.1218e-02 -2.5056e-01 1.4257e-01 4.5655e-02 -1.7579e+00 -6.7585e-01 7.1042e-01 3.8248e-01 -3.9209e-01 9.2593e-01 3.8716e-01 -5.7592e-01 -3.9279e-01 -6.6596e-01 -6.3559e-01 -6.8813e-01 -1.3695e+00 4.6959e-01 4.8140e-01 -2.5579e-01 1.3161e-01 1.0750e+00 1.1853e+00 3.8793e-01 1.0449e+00 -8.5157e-01 -7.9346e-01 1.4795e-01 8.9456e-01 2.0223e-01 1.7914e-01 9.0746e-01 3.7000e-02 -1.4456e+00 8.7530e-01 9.8045e-02 -3.0159e-01 -8.5640e-01 -1.0287e-01 -1.5055e+00 -1.3067e+00 -7.3290e-01 1.1510e+00 -1.5073e+00 1.5782e-02 -7.6017e-01 -9.5668e-01 -7.3786e-01 1.0355e+00 1.3063e-01 1.5828e-01 2.7046e-01 -9.5428e-02 -7.1080e-01 1.2417e+00 2.6061e-01 2.3738e+00 -1.3715e+00 9.1998e-01 8.6707e-01 1.8678e-01 8.3127e-02 2.2186e+00 2.7451e-01 1.1699e+00 -1.0099e+00 -2.4592e-01 1.0014e+00 6.9097e-01 9.2089e-01 -8.1597e-01 -6.6253e-01 -2.7155e-01 1.8686e-01 1.2409e+00 8.1443e-01 1.1154e+00 5.0122e-01 3.6050e-01 -8.6600e-01 -1.9689e+00 4.6038e-01 -8.4254e-02 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-3.2806e-02 -6.5142e-01 2.0840e-01 6.4044e-01 -1.8178e-01 1.3503e-01 -6.9127e-01 7.9802e-01 3.9703e-02 1.6405e+00 -1.4180e-01 -5.0825e-01 -2.1843e-02 -9.7145e-01 8.5045e-03 -4.0083e-01 4.0517e-01 7.4307e-01 -1.3139e-01 7.6747e-01 7.8690e-01 -2.4641e-01 -4.2973e-01 -3.4917e-01 -1.6769e-01 7.1748e-01 1.2926e+00 -5.5573e-01 -3.4542e-01 -8.5648e-01 2.1490e-01 -1.1697e-01 1.3001e-01 -4.6710e-01 -1.7796e-01 -2.9408e-02 6.2044e-01 -6.1275e-01 -4.3065e-01 1.4703e-01 -2.8504e-01 -9.7421e-01 7.0999e-01 -4.4173e-01 7.4559e-01 -7.2934e-01 -8.9664e-01 -3.6912e-03 3.8683e-01 2.9360e-01 -7.9318e-01 2.1701e-01 -1.3833e-01 2.7826e-01 -5.5937e-01 -3.9869e-01 1.3172e-01 2.4442e-01 -3.2715e-01 -1.7344e-01 -1.8686e-01 4.7258e-01 -4.6927e-03 6.5873e-01 -2.3503e-01 -1.1191e-01 -3.3665e-01 -6.5578e-01 7.3349e-01 1.1468e+00 -1.0858e+00 5.9680e-01 4.0559e-01 -1.4313e-01 -9.4768e-01 7.1065e-03 5.0332e-01 -3.1682e-01 1.2617e-01 4.6683e-01 1.6537e+00 3.1933e-01 3.7607e-01 -2.1551e-01 -8.5336e-02 1.2012e-01 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7.0857e-01 2.3023e-02 -1.3095e-01 -1.3364e+00 2.3514e-02 -2.8140e-01 -5.5854e-02 -1.0511e+00 8.1702e-01 3.4772e-01 -5.2158e-01 6.0664e-01 2.5897e-01 -1.9441e-01 9.8539e-02 2.8593e-01 8.7405e-02 3.9680e-01 4.7843e-01 1.7950e-01 7.6424e-01 3.6865e-02 1.2108e-01 1.5757e-02 8.6503e-01 2.4930e-01 -1.9762e-01 6.7464e-01 -8.6886e-01 -2.4732e-01 1.7799e-01 -5.8610e-01 1.3787e+00 -1.7952e-01 -5.4918e-01 2.2541e-01 -2.9626e-01 7.1015e-01 5.3428e-01 7.9444e-01 -2.0231e-01 -2.7493e-01 -9.6226e-01 8.3499e-01 -4.3458e-01 -6.7284e-02 -2.6598e-01 1.0397e-01 9.0527e-01 -9.0168e-02 -3.9321e-01 6.7427e-01 1.1367e-01 -4.8787e-02 -5.9965e-01 3.4932e-01 2.3739e-01 -2.5179e-01 -2.0923e-01 6.9149e-02 5.0202e-01 3.7216e-01 2.4105e-01 2.3309e-01 -5.3223e-01 2.8269e-02 -2.7995e-01 3.9035e-01 1.5131e-01 -1.2007e+00 7.8687e-01 1.0512e+00 -4.6897e-02 -1.8775e-01 -3.2885e-01 -9.2959e-01 -3.5748e-01 -3.4635e-01]" [*]=NP(=NP(=NS(=[*])(=O)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1,,*N=P(N=P(N=S(*)(=O)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1,355.15,GREA,355.15,,1,0.0,black,35,7.0,7,7,5,2.333333333333333,1.75,3.5,11.666666666666668,2.2,1,3,11,1,15.107326548620431,5,5,0,5,0,5,130.1,0.0,0,28.66833738581093,465.2892461,0,35,26.788888888888888,0.0,5.0,0,0,0,0,5,0,0,0,30,0.7142857142857142,5,9,1,3.728702832283423,1,1,3,0,0,0,54.15,0.0,0,0.0,152.9315559,1,6,10.414472159234064,0.0,1.8571428571428568,0,0,0,0,3,5,0,0,0,1.0,9,1.7876109962351552,5,1,13,5,0,5,114.3,0.0,0,25.07127512,612.1738518400001,3,39,14.52001440008204,0.0,0.5,0,0,0,0,13,5,0,0,6,0.3181818181818182,14,Polyphosphazenes,"Polyphosphazenes, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-8.6063e-01 -7.4001e-01 -1.5574e+00 -3.1547e-01 6.3080e-01 7.8760e-01 -1.4867e-01 -1.2029e-01 -5.5524e-01 -7.8482e-01 8.8175e-01 -4.5671e-01 8.6038e-01 -4.0798e-01 1.2665e+00 -2.6912e-01 3.5376e-01 7.2739e-01 8.0599e-01 3.5855e-01 4.5315e-01 -1.0506e-01 -1.7354e-01 3.7052e-01 5.4148e-01 -7.6010e-02 2.2094e+00 3.3008e-01 3.9646e-03 -1.9434e-02 3.8284e-02 2.3104e+00 2.2701e-01 1.3356e-01 -9.1294e-01 -1.3133e+00 5.7709e-01 5.7877e-01 -1.7911e+00 7.7143e-02 4.5375e-01 -5.3893e-01 5.4879e-01 1.1513e-01 -7.9699e-01 4.5851e-02 -7.1694e-01 2.4634e-02 -1.0546e+00 4.8072e-02 -1.8393e+00 2.4766e-01 -5.7931e-01 3.5529e-01 9.7739e-01 -8.4949e-03 8.7115e-01 -7.6729e-01 7.1273e-01 4.0045e-01 -5.8444e-01 7.9220e-01 -9.0160e-01 -2.9719e-01 1.3120e-02 -3.7652e-01 1.9836e-02 1.0368e+00 5.8938e-02 -4.1145e-01 -2.0094e+00 -6.5735e-01 -5.9033e-02 4.7761e-01 5.2235e-01 -1.8789e-01 1.0492e+00 -1.2407e+00 -6.0932e-01 -3.6473e-01 -3.0855e-01 5.1735e-01 -2.1591e-01 -5.6097e-01 -4.6876e-01 1.6037e+00 1.9328e-03 -3.3756e-02 -2.9168e-01 -3.2763e-01 3.6674e-01 5.8286e-01 2.4583e-01 -1.7463e-01 2.8491e-02 -7.8933e-02 -1.7075e+00 -6.0504e-01 4.2587e-01 -2.2977e-01 1.0406e+00 1.2280e+00 7.0115e-01 5.4960e-01 7.3667e-01 -3.9239e-01 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0.8481 0.328 -0.1094 0.4581 0.3826 1.6527 -0.3712 0.4639 -0.6855 -0.3479 0.0143 0.2103 -0.4336 -0.4164 0.485 -0.203 0.1146 -0.1456 -0.3432 -0.1776 -0.4484 0.1203 -1.1221 0.5796 -1.2156 0.5814 -0.145 0.1549 -0.5271 -0.6046 -0.2548 -0.5543 0.2237 -0.7574 -0.2846 -0.1034 0.3108 -0.2193 0.144 -0.3294 -0.5649 0.8713 0.2363 -0.5366 -0.5035 0.0392 -0.9337 -0.2522 0.5214 -0.5081 1.2621 -0.0295 -0.6105 -0.0286 0.073 -0.0572 -0.0176 -0.2781 -0.3127 0.6098 -0.1383 0.0426 -0.2079 0.1807 0.0339 0.111 1.1094 0.0651 -0.0177 -0.075 -0.7916 -0.9388 0.4659 -0.1231 0.8593 0.0209 0.2053 0.0223 0.069 0.7615 0.1083 -1.0847 0.3352 -1.272 1.7485 0.1424 -0.335 0.2811 -0.2975 -0.9499 -0.9985 -0.0976 0.1239 0.785 -0.1002 0.5753 -0.351 -0.0397 0.3692 0.4076 -0.9946 0.3953 0.585 0.1519 0.3833 -0.0158 -0.5628 -0.5018 -0.6493 1.0508 -0.8122 0.0071 0.4829 0.2337 -0.889 -0.507 -0.4737 -0.3567 -0.5326 -0.5025 -0.5243 -0.0509 -0.2632 -0.5601 -0.1247 -0.4739 0.7659 0.6821 0.2675 0.404 0.6053 1.1222 0.7414 0.0955 0.8906 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[*]=NP(=NP(=NS(=[*])Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,,*N=P(N=P(/N=S(/*)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,342.15,GREA,342.15,,1,0.0,black,65,13.0,13,13,5,4.333333333333333,3.25,6.5,21.666666666666664,2.2,1,3,11,1,12.11927986385212,5,5,5,10,0,10,101.15,0.0,0,0.0,850.3658247,0,65,45.51786974048879,0.0,3.076923076923077,0,0,0,0,10,0,0,0,30,0.3846153846153846,5,8,1,3.405228923929077,1,1,3,0,0,0,37.08,0.0,0,0.0,136.9366413,1,5,4.059027777777778,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,1.0,8,1.133698534,0,6,18,10,0,10,83.23000000000002,0.0,0,22.27807407949697,981.2555158,3,68,7.241870552991829,0.0,0.2816901408450704,0,0,0,0,18,4,0,0,6,0.1780821917808219,13,Polysulfides,"Polysulfides, Polyphosphazenes, Polyimines","[-5.9897e-01 4.6567e-02 -1.3600e+00 5.7774e-01 2.0283e-01 1.6214e+00 -6.0584e-01 -6.7671e-01 -3.8771e-01 2.7026e-02 -1.0536e-01 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0.4191 -0.8111 -0.2092 0.0972 -0.492 -0.1279 0.1341 0.1733 -0.2879 -0.1523 0.0672 0.2057 0.5165 0.3918 -0.0821 0.7637 0.1375 0.7662 -0.5429 -0.393 -0.5251 0.7488 0.7741 -0.3061 -0.1383 -0.2453 -0.0081 0.173 0.8531 -1.0772 -1.8287 0.954 0.1596 -0.1998 0.2157 0.6425 0.6515 -0.1872 -0.8198 0.5775 -0.3394 0.0265 -0.3786 0.5362 0.6163 0.1814 0.1172 0.2669 -0.1533 -0.5749 1.098 -0.0163 0.2579 0.3351 0.0758 0.5707 0.22 0.5039 -0.1243 1.2496 0.0091 -0.7613 0.6767 -0.6816 0.2058 0.2475 -0.762 0.8463 -0.4642 -0.3255 0.5092 -0.1562 0.2352 0.6343 0.3453 -0.3101 -0.0411 -0.7808 -0.096 -0.4807 -0.0935 -0.404 -0.6413 0.7392 0.3053 -0.4491 0.322 -0.1418 -0.2299 -0.5373 -0.3008 0.5281 0.3409 -0.1615 0.0363 0.6238 0.0032 -0.4642 -0.9434 -0.186 0.294 -0.3225 0.721 0.3202 0.0501 0.6135 0.4529 0.2177 -0.7513 -0.4776 -0.7933 0.0765 0.1543]" [*]=NP(=NP(=NS(=[*])Oc1ccc(C(C)(C)C)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,,*N=P(N=P(/N=S(/*)Oc1ccc(C(C)(C)C)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,327.15,GREA,327.15,,1,0.0,black,63,12.6,13,11,5,4.133333333333333,3.25,5.5,20.666666666666664,2.2,1,3,11,2,12.689178679341625,5,5,4,9,0,9,101.15,0.0,0,0.0,830.3971248,4,59,45.43669375157471,26.186202068468653,3.4615384615384617,0,0,0,0,13,0,0,0,30,0.3986013986013986,5,8,1,3.405228923929077,1,1,3,0,0,0,37.08,0.0,0,0.0,136.9366413,1,5,4.059027777777778,0.0,1.8333333333333333,0,0,0,0,3,4,0,0,0,1.0,8,1.2208059461269078,0,6,17,9,0,9,83.23000000000002,0.0,0,22.27807407949697,961.2868159,7,62,7.228724840895068,26.186202068468653,0.3623188405797101,0,0,0,0,21,4,0,0,6,0.1830985915492957,13,Polysulfides,"Polysulfides, Polyphosphazenes, Polyimines","[-0.556 -0.004 -1.2115 0.4182 0.3086 1.6966 -0.2226 -0.3299 -0.4802 -0.3927 0.0993 -0.5014 1.184 -0.3932 0.6299 -0.2519 0.4067 -0.4901 0.3123 0.2154 0.6181 -1.0806 0.5417 0.3519 -0.3289 1.3704 1.7771 -0.4815 -0.5299 0.638 0.0151 1.4297 0.3443 -0.4669 -0.8812 -0.2891 0.7527 1.1658 -0.356 -0.3731 0.6193 -0.1323 0.7383 0.7615 0.6233 1.0065 -0.7955 -0.4555 -1.2695 0.0973 -1.7055 -1.5235 -0.3471 0.266 2.7495 -0.9398 -0.2996 -0.906 0.1515 -0.4696 -0.702 1.1047 0.2692 -0.2932 0.6198 -0.2529 0.636 0.357 -0.1549 -0.3424 -1.7714 -0.0922 -0.1536 1.0342 1.2445 0.2845 0.9769 -0.5145 -1.2405 -0.6925 -0.0387 0.0738 -0.4841 -0.5875 0.5516 1.0561 0.1974 -0.1067 -0.9502 -0.3839 0.4318 1.042 -1.0641 -0.822 -1.1901 0.5092 -1.3228 0.1015 0.3203 -0.9911 1.0716 0.997 0.2585 -0.104 0.0586 -0.748 -0.4973 0.1308 0.0984 0.2831 1.0957 0.5736 -0.547 -0.0223 -0.0956 0.3648 -0.6292 -1.4936 -0.3339 0.5947 -0.6965 0.1975 0.2273 0.1339 0.2354 0.4269 -1.2225 0.1498 0.9672 -0.42 0.9923 0.5431 0.2325 -1.2681 -0.9314 1.8127 -0.8584 -0.4649 -0.066 0.6368 -0.762 -1.0927 -0.4328 0.0783 -1.2543 -0.2396 -0.2594 -1.0585 -0.2251 0.3214 0.3316 -0.3879 -0.4167 -0.0597 0.0823 -0.1125 0.1645 0.9511 0.1569 -0.1907 0.6464 0.8794 -0.7302 0.5102 1.7924 0.5833 -0.1829 -0.1807 -0.4043 -0.248 1.384 0.5057 -0.3805 -0.9696 0.679 1.7909 -0.0599 0.8843 1.0984 0.7631 -0.7276 -1.6969 1.1733 -0.7501 1.0633 0.1543 -0.9024 1.0932 -0.3533 -1.0191 0.466 0.9713 -0.0671 0.1646 -0.2868 0.1431 0.6454 0.3668 -0.7312 -0.5576 -0.1817 -0.6326 0.0131 -0.8003 0.3432 -0.306 -0.09 -0.2059 0.5533 0.3429 0.9815 0.3037 -0.8392 0.4366 -0.7512 0.9403 0.6599 0.145 -0.2725 0.4122 -1.132 -0.0759 -1.5052 0.8188 -0.7187 -1.1773 1.1685 -0.6896 0.494 0.2164 0.4395 -0.4833 0.2782 -1.2206 0.5954 0.6986 -0.0621 0.2765 1.327 2.0667 -0.1184 -0.6047 -0.4816 -0.1568 -0.1596 1.3617 0.4959 -0.7817 0.1513 0.8482 0.6584 -0.1552 -1.1548 -0.3308 -0.1925 -0.5025]",{<=NP(Oc1ccc(c2ccccc2)cc1)(Oc1ccc(c2ccccc2)cc1)=NP(Oc1ccc(c2ccccc2)cc1)(Oc1ccc(c2ccccc2)cc1)=NS(Oc1ccc(C(C)(C)C)cc1)=>},"[ 2.5711e-01 6.5205e-02 -2.2250e-01 1.5326e-01 5.5498e-01 7.2359e-01 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[*]=NP(=NS(=O)(=NP(=[*])(NC)NC)NC)(NC)NC,,*N=P(N=P(N=S(*)(=O)NC)(NC)NC)(NC)NC,295.15,GREA,295.15,,1,0.0,black,10,2.0,2,2,5,0.7666666666666666,0.5,1.0,3.833333333333333,1.8,1,3,9,1,5.0,5,5,0,0,0,0,130.1,0.0,0,28.66833738581093,155.21099579999998,10,0,22.5,0.0,7.5,0,0,0,0,5,0,0,0,0,2.5,5,9,1,4.056776400917214,1,2,3,0,0,0,54.15,0.0,0,0.0,152.9315559,1,6,10.610648148148147,0.0,2.0,0,0,0,0,3,5,0,0,0,1.0,9,6.110914455765029,5,4,8,0,0,0,114.3,0.0,0,25.07127512,302.0956015,13,4,12.83875,0.0,1.1176470588235294,0,0,0,0,13,5,0,0,0,0.7368421052631579,14,Polyphosphazenes,"Polyphosphazenes, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-2.8200e+00 -2.2185e-01 -1.4463e+00 -1.0240e-01 1.9263e-01 2.0343e+00 6.9973e-01 -5.2243e-01 -3.1447e-01 -3.2531e-01 4.6026e-01 -5.6536e-01 -7.5145e-01 -8.9974e-01 4.2123e-01 3.4826e-01 8.1536e-01 1.9844e+00 -3.5648e-01 -4.3187e-01 1.5317e+00 -1.1040e+00 -1.6731e+00 -8.4065e-01 -3.8683e-01 -1.0027e+00 3.2600e+00 2.5433e-01 1.0370e+00 1.0737e+00 -2.5360e-01 1.1681e+00 8.4671e-01 -2.5175e-01 -7.9512e-01 3.3299e-01 1.6220e+00 -3.1152e-01 -1.8785e+00 1.7279e+00 -4.4074e-01 -1.0595e+00 3.3443e-02 3.3182e-01 -2.1246e+00 -5.9695e-01 -6.1317e-01 2.6037e-01 -4.1029e-01 2.9086e-01 -1.3120e+00 2.8367e+00 -8.9742e-01 6.9384e-01 7.9570e-01 1.2495e-01 -1.7400e+00 -5.4483e-01 1.5973e+00 1.9955e+00 1.1773e+00 5.6834e-01 -8.0471e-01 -2.3272e+00 2.4521e-01 -6.2817e-01 7.8868e-01 -1.0169e-02 8.7370e-01 -5.0981e-01 -2.2937e+00 -1.2055e+00 1.5053e+00 -2.3499e-01 5.8527e-01 3.1581e-01 1.4011e+00 -2.6937e-01 -7.3431e-01 -4.3313e-01 1.3675e+00 -4.3635e-01 3.8301e-01 1.1104e-01 -1.1395e+00 1.6029e+00 1.4085e-03 2.9746e-01 -9.6728e-01 -1.2787e-01 1.4278e+00 -6.7869e-01 1.8890e-01 6.0412e-01 8.5785e-01 -9.8692e-01 -4.8867e-01 4.9628e-01 1.6211e-01 2.9100e-01 8.0787e-01 1.5037e+00 8.0671e-01 5.2832e-01 -4.2231e-01 -9.8153e-01 -4.2934e-02 -1.6315e+00 -1.1151e+00 -6.6320e-01 -1.5846e+00 5.3737e-01 -1.8779e-01 -1.0859e+00 1.4396e+00 4.8318e-01 -1.9876e+00 1.1636e+00 3.5060e-01 -6.5010e-02 -1.7276e+00 1.2357e+00 -7.9031e-01 -7.9374e-02 2.3548e-01 1.6128e+00 -5.9434e-01 1.5812e+00 9.4615e-01 7.1925e-01 7.4985e-01 -1.5645e+00 -1.4147e+00 -9.8450e-01 -4.5165e-01 -1.4291e-01 -1.0109e-01 -2.1730e-01 -1.4673e+00 3.9653e-01 -2.4117e+00 5.6902e-01 -2.3016e+00 -4.9716e-01 -1.0440e+00 -8.0190e-01 -3.7915e-01 -1.9111e-01 -3.5995e-01 -2.9250e-01 8.8568e-01 -1.1134e+00 1.3804e-01 1.0706e+00 4.1217e-01 5.5880e-01 -8.3243e-01 1.5351e+00 2.5445e-01 9.6194e-02 1.3219e+00 1.6013e-01 -1.0783e+00 -1.1533e+00 6.1894e-01 6.9186e-01 -1.3188e+00 -7.0305e-01 1.0088e+00 -3.2755e-01 1.9525e+00 1.1843e+00 -8.3517e-01 1.3064e-01 1.2476e-02 -5.1727e-01 4.4406e-01 8.8060e-01 -2.0379e+00 1.6043e+00 7.7433e-01 -1.5026e+00 2.3883e+00 -5.4121e-01 1.5338e+00 1.6838e-01 -3.9461e-01 4.3394e-01 -4.3482e-01 2.3917e+00 1.9993e+00 5.8099e-01 1.7245e+00 9.1883e-01 -3.5010e-02 1.3315e+00 6.5388e-01 1.6717e+00 -3.3132e-01 -2.4046e+00 -3.6002e-01 -1.1714e+00 -3.5952e-01 -7.2272e-02 6.6115e-01 -3.8441e-01 -3.2518e-01 -3.7647e-01 6.0679e-02 7.8033e-01 1.0475e+00 -1.2656e+00 -1.6347e+00 3.1963e-01 2.5304e-02 1.2781e+00 2.2464e+00 8.0199e-01 -1.8840e-01 1.4526e+00 -2.9675e+00 -3.4290e-01 -6.4093e-01 1.9203e+00 -9.9982e-01 -9.1965e-01 2.1455e+00 -1.5410e+00 -8.1860e-01 -8.2363e-01 1.1563e+00 -1.2122e+00 -3.7302e-01 -8.4273e-01 1.8665e+00 4.7823e-01 1.1409e-01 6.8138e-01 1.6237e+00 9.1753e-01 1.0990e+00 -3.0116e-01 2.8883e-01 8.7086e-01 -7.1607e-01 2.4822e+00 -6.2905e-01 -2.3205e-01 -5.8925e-01 1.4505e+00 -5.4329e-01 6.0976e-01 -1.4236e+00 -4.1160e-01 -1.3515e+00 -2.1402e-01]",{<=NP(NC)(NC)=NS(=O)(NC)=NP(NC)(NC)=>},"[-6.7722e-01 -2.4969e-01 -4.6131e-01 -1.9534e-01 2.0398e-01 6.8861e-02 2.2296e-01 -1.1723e-01 3.1010e-01 -5.7580e-02 4.3098e-02 3.2418e-01 -8.7800e-01 -7.9176e-01 6.2821e-02 3.0724e-01 -4.4007e-02 1.3785e+00 3.6900e-01 4.4494e-01 1.8979e-01 1.4910e-01 -6.7140e-01 -2.0162e-01 2.6346e-01 -9.7267e-01 1.0226e+00 3.6456e-01 1.2016e-01 3.9049e-01 -6.0682e-01 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2.6843e-01 -2.1917e-01 -3.5188e-02 6.2013e-01 -3.7610e-01 6.3621e-01 2.3394e-01 9.1524e-01 -4.8120e-01 8.0256e-01 3.0768e-01 3.6504e-01 -2.0003e-01 -9.7924e-01 -3.8778e-01 -9.8441e-02 -2.5757e-01 3.1405e-01 -4.5772e-01 4.2897e-01 -1.9511e-01 -2.5377e-01 -1.1592e+00 8.5908e-01 -1.2539e+00 -3.0254e-01 -3.0969e-02 -5.9656e-01 -6.8068e-01 -1.7413e-01 2.4495e-01 -6.1497e-01 -1.5281e-01 -3.6083e-01 6.0428e-01 1.2868e+00 4.9173e-01 9.2458e-01 -1.4360e-01 2.4123e-01 -1.2487e-02 4.9863e-02 6.4936e-01 2.4353e-01 -7.1508e-01 -1.2252e+00 1.3327e-02 5.6117e-02 -2.5951e-02 -1.9931e-01 5.9199e-01 3.8617e-01 7.4862e-01 1.2341e+00 -8.1531e-01 -1.5731e-01 -5.9754e-02 -9.9654e-03 3.6607e-01 2.1175e-01 -1.1539e+00 1.0342e+00 5.9325e-01 -6.3904e-01 1.1028e+00 5.5715e-02 4.0209e-04 4.1631e-01 -4.8901e-02 -3.4384e-01 1.7118e-01 1.1482e+00 1.3415e+00 -3.8281e-01 6.7577e-01 6.7545e-01 5.2037e-01 8.5119e-01 6.2962e-03 -1.8214e-01 3.1289e-01 -3.5712e-01 -1.2451e-01 -4.1495e-01 -1.5638e-01 4.7934e-01 -4.3629e-01 6.2745e-01 -1.0044e-01 -3.0025e-01 -1.3323e-01 3.8566e-01 -1.9125e-01 -4.4034e-01 -6.0948e-01 8.3127e-02 3.6982e-01 4.9989e-01 7.1996e-01 2.6967e-01 -1.0113e-02 8.7226e-01 -1.2039e+00 -2.7991e-01 -3.6342e-01 6.0793e-01 -5.5787e-01 -5.6415e-01 7.0151e-01 -6.4969e-01 -4.8442e-01 -1.3739e-01 4.5839e-01 -2.3510e-01 -6.9555e-01 5.9612e-02 9.9696e-01 5.5179e-02 -1.3205e-01 6.7799e-01 5.0027e-01 -4.7641e-01 4.1064e-01 -6.2641e-01 1.1070e-02 7.0614e-01 -7.4564e-01 5.9899e-01 -1.2166e-02 -3.1068e-01 2.2997e-01 4.2870e-01 -2.1199e-01 -2.3241e-01 -1.0083e+00 -5.1908e-01 -4.7091e-01 -4.6460e-02]" [*]=NP(=NS(=O)(=NP(=[*])(NCC)NCC)NCC)(NCC)NCC,,*N=P(N=P(N=S(*)(=O)NCC)(NCC)NCC)(NCC)NCC,277.15,GREA,277.15,,1,0.0,black,15,3.0,3,3,5,1.15,0.75,1.5,5.75,1.8,1,3,9,1,8.164965809,5,5,0,0,0,0,130.1,0.0,0,28.66833738581093,225.2892461,15,0,24.23611111111111,34.61868599845312,10.0,0,0,0,0,10,0,0,0,0,1.6666666666666663,5,9,1,4.056776400917214,1,2,3,0,0,0,54.15,0.0,0,0.0,152.9315559,1,6,10.610648148148147,0.0,2.0,0,0,0,0,3,5,0,0,0,1.0,9,6.341303647805024,5,4,13,0,0,0,114.3,0.0,0,25.07127512,372.17385184000005,18,4,13.533718820861678,34.61868599845312,0.9545454545454546,0,0,0,0,18,5,0,0,0,0.5833333333333334,14,Polyphosphazenes,"Polyphosphazenes, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-2.3242 -0.3911 -1.0814 0.1652 0.0968 1.935 0.5694 -0.8394 0.296 -0.168 0.4617 -0.5891 -0.8553 -0.6695 0.6645 0.7721 0.7703 1.8953 0.1234 -0.2292 1.4959 -0.9806 -1.6594 -0.9683 -0.348 -0.7274 2.6323 0.2909 0.5855 0.9919 -0.4395 1.2164 0.5073 -0.2154 -0.6345 0.6958 1.3245 -0.3648 -1.7476 1.3409 0.1648 -1.206 -0.0525 0.554 -2.3038 -0.3385 -0.7927 0.6526 -0.9302 0.164 -1.2542 2.5264 -0.6927 0.9374 0.3394 0.2078 -1.7234 -0.797 1.4325 1.4064 1.0984 0.2702 -1.0797 -2.2373 0.3897 -0.1228 0.667 -0.0522 0.9659 -0.689 -2.1382 -0.9098 0.9693 -0.0907 0.6687 0.0049 1.2472 -0.2821 -0.5343 -0.0683 1.0466 -0.163 0.6549 0.3616 -0.9033 1.1647 -0.1295 0.4826 -0.5747 0.552 1.5294 -0.7232 0.2502 1.0624 0.8264 -0.8728 -0.47 0.4002 0.2665 0.4289 0.6599 1.2913 0.9209 0.521 -0.4494 -0.5701 0.1387 -1.894 -1.1524 -0.8525 -1.0967 0.4471 -0.4527 -0.6162 1.3062 0.3253 -2.1159 1.0469 0.5011 -0.0855 -1.3502 1.1649 -0.6931 0.2612 0.6276 1.6116 -0.2412 1.5209 0.7411 0.5655 0.2191 -1.4435 -1.0545 -0.4963 -0.7058 0.2219 -0.3678 0.0531 -0.9336 0.3318 -1.6262 0.4613 -2.1448 -0.6297 -1.0428 -0.82 -0.5785 -0.618 0.0323 -0.6698 1.0491 -1.302 0.2784 0.9696 0.2222 -0.0062 -0.7193 1.4545 0.546 0.2113 1.0381 0.3494 -0.9755 -0.6626 0.1867 0.7718 -1.1418 -0.6503 0.7236 -0.4949 1.9177 1.2601 -0.6528 0.395 0.3503 -0.2807 1.0907 0.4553 -1.8916 0.8766 1.1288 -1.0885 2.6874 -0.1474 1.5379 0.1168 -0.5138 0.5307 -0.7963 2.0675 2.1375 0.5426 1.8284 1.1563 -0.0338 1.3787 0.6842 1.1145 -0.2029 -1.4869 -0.0745 -0.9794 -0.2762 0.0452 -0.0119 -0.2428 -0.5259 0.0211 0.3238 1.1117 0.8948 -0.8298 -1.7794 0.0888 0.2531 1.2906 2.3128 0.5761 0.2357 0.9646 -2.7748 -0.4763 -0.587 1.7449 -1.2792 -0.8089 1.8622 -1.2735 -0.5151 -0.8956 1.5892 -1.0602 -0.4779 -1.4354 2.1191 0.4028 0.2078 0.3453 1.5378 1.1856 0.8253 -0.1478 0.2664 1.0598 -1.1653 2.2725 -0.3968 -0.4515 -0.3355 1.2371 -0.6862 0.2912 -1.7046 -0.6482 -1.0414 -0.1446]",{<=NP(NCC)(NCC)=NS(=O)(NCC)=NP(NCC)(NCC)=>},"[-5.6776e-01 -4.2875e-01 -4.9041e-01 2.0463e-01 5.2759e-01 2.2990e-01 1.6562e-01 -3.8805e-01 3.6367e-01 -3.7655e-01 2.1342e-01 3.9110e-01 -8.4043e-01 -4.7608e-01 2.1371e-01 8.4600e-01 6.4204e-02 1.6063e+00 3.8388e-01 7.7540e-01 2.5042e-01 -1.4869e-02 -8.2261e-01 -3.8020e-01 -1.6297e-02 -9.6128e-01 9.2533e-01 2.3701e-01 3.9222e-03 3.2056e-01 -7.1264e-01 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2.4536e-01 -4.4083e-01 -6.6769e-02 6.6812e-01 -7.5665e-02 5.3382e-01 5.1445e-01 7.5690e-01 5.6527e-02 7.8650e-01 4.2511e-01 1.3346e-01 -5.4045e-01 -5.5242e-01 -3.1083e-02 9.3413e-02 -2.5429e-01 4.7894e-01 -5.0735e-01 7.2109e-01 2.0224e-01 -3.0747e-02 -5.6538e-01 7.4532e-01 -9.5097e-01 -4.7476e-01 -1.4611e-01 -7.0635e-01 -1.1119e+00 -1.1449e-01 1.6537e-01 -6.7966e-01 1.2607e-01 -9.8104e-01 7.9923e-01 1.1153e+00 5.0155e-01 6.4971e-01 -1.6067e-01 3.9509e-01 1.9071e-01 2.2990e-01 6.3545e-01 2.0510e-01 -5.1556e-01 -7.8576e-01 -1.0533e-01 1.2327e-01 -5.7982e-01 -3.3539e-01 3.3383e-01 2.5986e-01 7.1864e-01 1.3284e+00 -6.9341e-01 8.6561e-02 -8.4240e-02 -1.2537e-01 8.4777e-01 -1.6142e-01 -1.2466e+00 4.1325e-01 7.3837e-01 -5.4328e-01 1.2983e+00 -3.1310e-02 -2.1783e-01 4.3917e-01 -1.0069e-01 9.1819e-02 -1.1331e-01 9.2813e-01 1.0177e+00 -2.9669e-01 5.9520e-01 8.8447e-01 8.6400e-01 5.5976e-01 1.2587e-01 6.2885e-02 5.6506e-01 -1.1549e-01 1.9716e-01 -4.2636e-02 3.4828e-01 1.4277e-01 -6.6354e-01 1.1775e+00 -2.9214e-01 1.0431e-01 3.2943e-01 2.3395e-01 -5.5057e-01 -2.1707e-02 -8.4757e-01 1.3231e-01 2.1117e-01 3.1148e-01 7.8088e-01 -1.7510e-01 -9.8064e-02 6.6529e-01 -1.0459e+00 -3.5288e-01 -2.1841e-01 5.0518e-01 -7.0661e-01 -4.9450e-01 1.5197e-01 -4.2032e-01 -7.5032e-01 -1.3030e-01 6.6420e-01 -3.1330e-01 -7.0568e-01 -1.3688e-01 1.1083e+00 6.1151e-03 -3.5562e-01 7.3736e-01 3.0194e-01 -2.0460e-01 3.4229e-01 -5.0033e-01 6.4871e-02 6.7860e-01 -7.4875e-01 5.6540e-01 -1.4027e-01 -5.4202e-01 5.4916e-01 3.2389e-01 -2.2473e-01 -3.8643e-01 -1.1380e+00 -2.5262e-01 -2.4886e-01 -2.4974e-01]" [*]=NP(=NS(=O)(=NP(=[*])(NCC=C)NCC=C)NCC=C)(NCC=C)NCC=C,,*N=P(N=P(N=S(*)(=O)NCC=C)(NCC=C)NCC=C)(NCC=C)NCC=C,255.15,GREA,255.15,,1,0.0,black,20,4.0,4,4,5,1.5333333333333332,1.0,2.0,7.666666666666666,1.8,1,3,9,1,11.484176309595693,5,5,5,0,0,0,130.1,0.0,0,28.66833738581093,285.2892461,10,10,24.54861111111111,0.0,10.0,0,0,0,0,10,5,0,0,0,1.25,5,9,1,4.056776400917214,1,2,3,0,0,0,54.15,0.0,0,0.0,152.9315559,1,6,10.610648148148147,0.0,2.0,0,0,0,0,3,5,0,0,0,1.0,9,6.6154131072089255,5,4,18,0,0,0,114.3,0.0,0,25.07127512,432.17385184000005,13,14,13.894829931972788,0.0,0.8518518518518519,0,0,0,0,18,10,0,0,0,0.4827586206896552,14,Polyphosphazenes,"Polyphosphazenes, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.7735e+00 -1.5642e+00 -8.2702e-01 -2.1565e-01 2.6918e-01 2.1100e+00 6.4198e-01 -1.3892e+00 3.3918e-01 -2.8730e-01 5.7885e-01 -2.5565e-01 -1.4943e-01 -8.4949e-01 7.9880e-01 1.0115e+00 4.7101e-01 2.2178e+00 2.9162e-01 1.1569e+00 1.2672e+00 -2.3147e-01 -2.1374e+00 -3.5261e-01 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-0.4073 0.1257 0.1664 0.3043 -0.7677 -0.5013 0.2916 -0.5914 -0.5282 -0.5119 0.0418 -1.4702 0.6071 -1.294 1.0064 -0.3218 0.4477 0.3849 -1.1597 -0.9915 -0.6634 0.9048 0.059 0.4083 -0.017 -0.4604 -0.7129 0.8446 -0.245 -0.0936 -0.0793 -0.2353 -0.649 -0.4235 -0.1217 0.6388 0.218 0.9516 -0.3699 -0.0671 -0.2129 -0.5761 -0.3615 0.4579 -0.7069 0.526 -0.1084 -0.3235 0.4952 0.0704 0.8655 -0.4442 1.3983 1.0052 0.1708 1.223 -0.0486 -0.0182 -0.2431 -0.9294 0.7086 0.2914 0.311 0.4987 -0.4887 0.1344 1.1305 -0.2737 0.4145 0.1233 -0.417 0.5697 -1.2044 0.8902 0.5791 0.5204 0.264 0.1849 -0.9496 -0.8605 0.0254 -1.0227 -1.2437 0.4621 1.1221 -0.4132 0.2405 -0.1158 1.3769 0.1578 0.5238 0.5245 0.2629 -0.5563 -0.2666 0.0587 -0.4602 -0.6874 0.5549 -0.4759 0.5024 -0.0711 0.3429 0.3215 -0.5121 -1.0418 -0.0128 -0.2359 -0.7203 -0.7274 0.2777 0.0593 0.3165 0.7909 -0.4479 0.3179 1.5141 0.7623 0.8625 -0.6408 0.5828 0.6039 0.1289 0.2791 0.5294 -1.0473 -0.7038 0.5542 0.6563 0.2043 -0.4624 0.5155 0.1727 1.2585 0.8188 -0.3487 -0.5197 0.1453 0.1365 -0.225 0.6986 -0.8833 0.3651 0.9514 0.3676 1.5619 0.3751 -0.126 -0.0168 0.659 0.2918 0.5566 0.8012 0.7159 0.2796 0.9191 0.7202 0.5437 0.8361 0.6385 1.1672 -0.6528 -0.1726 1.1698 -0.5765 0.4248 0.3662 -0.1394 0.5962 -0.1802 0.1821 0.6368 -0.6481 -0.1615 -0.6922 -0.0741 -0.4378 0.4383 0.2004 1.2421 0.1085 -0.9181 0.3971 -1.6564 -0.4893 -0.846 0.2622 -0.9016 0.4399 -0.0024 -0.3732 -0.3823 0.7259 0.47 -0.6061 -1.1447 -1.1109 0.0796 -0.4523 -1.2996 0.4617 0.1015 -0.4184 0.0028 -0.6846 -0.1382 0.302 -0.0687 0.9536 -0.9739 -0.4456 1.0865 0.6763 0.0893 -0.6737 -1.7895 -0.5082 -0.6924 0.1619]" [*]=NP(=NS(=O)(=NP(=[*])(NCCC)NCCC)NCCC)(NCCC)NCCC,,*N=P(N=P(N=S(*)(=O)NCCC)(NCCC)NCCC)(NCCC)NCCC,279.15,GREA,279.15,,1,0.0,black,20,4.0,4,4,5,1.5333333333333332,1.0,2.0,7.666666666666666,1.8,1,3,9,1,9.873724356957949,5,5,5,0,0,0,130.1,0.0,0,28.66833738581093,295.3674964,20,0,25.13888888888889,66.72279411308317,8.75,0,0,0,0,15,0,0,0,0,1.25,5,9,1,4.056776400917214,1,2,3,0,0,0,54.15,0.0,0,0.0,152.9315559,1,6,10.610648148148147,0.0,2.0,0,0,0,0,3,5,0,0,0,1.0,9,6.442151785003975,5,4,18,0,0,0,114.3,0.0,0,25.07127512,442.2521021600001,23,4,14.04592403628118,66.72279411308317,0.8148148148148148,0,0,0,0,23,5,0,0,0,0.4827586206896552,14,Polyphosphazenes,"Polyphosphazenes, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.9466e+00 -2.0180e-01 -1.0361e+00 1.4796e-01 2.5812e-01 1.7146e+00 3.6722e-01 -9.9836e-01 2.4311e-01 -4.8018e-01 1.1794e+00 -3.0618e-01 -7.0562e-01 -7.1880e-01 6.9825e-01 1.3041e+00 7.2546e-01 1.8873e+00 3.8169e-01 1.1854e-01 1.1684e+00 -7.0691e-01 -1.7978e+00 -9.4390e-01 -2.4696e-01 -7.8548e-01 2.2376e+00 3.5198e-01 7.0997e-01 4.6688e-01 -1.1875e+00 1.3220e+00 1.5883e-01 -1.8923e-01 -6.2157e-01 5.2812e-01 7.0537e-01 -4.7409e-01 -1.7449e+00 1.1489e+00 6.7331e-01 -8.9059e-01 -2.2217e-02 2.4229e-01 -2.0217e+00 -6.9087e-02 -6.7719e-01 1.8690e-01 -1.2596e+00 2.7835e-01 -1.5409e+00 2.3519e+00 -5.7282e-01 8.0925e-01 4.7231e-01 1.3556e-01 -7.9047e-01 -8.5853e-01 1.5735e+00 8.7708e-01 1.5921e+00 -2.8928e-02 -1.0063e+00 -2.3343e+00 8.6168e-01 2.0758e-01 6.2892e-01 -6.0918e-02 9.5580e-01 -1.0242e+00 -2.1362e+00 -6.5017e-01 2.8424e-01 -3.8718e-01 4.3676e-01 -1.0121e+00 6.9727e-01 -7.4773e-01 -2.7985e-01 2.5888e-01 1.0330e+00 -3.5690e-02 8.5766e-01 -3.6046e-03 -6.7111e-02 1.3792e+00 -1.0345e-01 2.9243e-01 -5.3016e-01 9.2372e-01 1.1735e+00 6.5319e-02 7.5253e-01 5.1015e-01 9.5712e-01 -7.0010e-01 -5.1759e-01 1.6251e-01 3.1225e-01 7.2078e-01 3.2181e-01 1.3930e+00 6.7065e-01 6.5749e-01 1.1642e-03 -5.8435e-01 2.5313e-01 -2.1684e+00 -1.1774e+00 -1.3439e+00 -1.7851e-01 5.6488e-01 -5.9104e-01 -5.8864e-01 6.2617e-01 9.8266e-02 -2.5651e+00 5.7346e-01 1.0544e+00 -1.7437e-01 -1.0161e+00 1.2579e+00 -1.0580e+00 2.6307e-01 7.7642e-01 6.8456e-01 -5.3311e-01 2.0277e+00 8.8232e-01 2.7656e-01 3.7797e-01 -1.1181e+00 -6.4278e-01 -1.2165e-01 -7.7360e-01 3.4061e-02 -3.9183e-01 9.1461e-01 -4.5801e-01 6.4841e-01 -1.4910e+00 2.4358e-02 -1.5496e+00 -1.0332e+00 -1.0046e+00 -7.7949e-01 -1.0239e+00 -2.4670e-01 -1.7665e-02 -9.2467e-01 1.3471e+00 -1.6927e+00 5.1113e-01 8.1150e-01 5.2734e-01 -2.4774e-01 -5.6309e-01 1.2796e+00 8.2211e-01 3.9846e-01 1.0379e+00 1.9131e-01 -9.0054e-01 -5.9522e-01 3.0803e-01 9.0137e-01 -1.2905e+00 -7.6889e-01 5.4714e-01 -4.7567e-01 1.9908e+00 1.6164e+00 -6.5362e-01 2.3991e-01 6.0616e-01 -3.3128e-02 1.3031e+00 -8.1451e-02 -1.6240e+00 9.9458e-01 1.7452e+00 -9.0512e-01 2.7352e+00 -3.8169e-01 1.5364e+00 -2.2724e-01 -4.1909e-01 2.3567e-01 -1.1633e+00 1.6380e+00 1.8488e+00 3.5596e-01 1.9763e+00 1.0497e+00 5.5406e-01 1.2900e+00 8.9525e-01 9.3063e-01 3.4989e-02 -9.3287e-01 1.1960e-01 -6.3741e-01 -3.6206e-01 -3.1654e-01 -6.3161e-01 2.2572e-01 -9.1649e-01 5.7345e-01 6.4737e-01 7.5449e-01 9.5971e-01 -3.9039e-02 -1.9793e+00 -1.3294e-01 1.2406e-01 1.2779e+00 2.2235e+00 4.8928e-01 -2.2887e-01 5.5435e-01 -2.2992e+00 -8.5273e-01 -6.5141e-01 1.6665e+00 -1.6979e+00 -4.7913e-01 1.3685e+00 -1.0329e+00 -1.1750e+00 -5.4030e-01 1.8049e+00 -8.1522e-01 -4.7963e-01 -1.5332e+00 1.8796e+00 -8.6950e-02 -3.6672e-01 -2.5648e-02 1.8755e+00 1.3096e+00 4.7267e-01 -2.4735e-01 5.2813e-01 1.1766e+00 -9.8001e-01 2.0127e+00 -3.7606e-01 -5.2880e-01 2.6457e-01 1.0299e+00 -1.0868e+00 2.7972e-01 -2.1418e+00 -9.6844e-01 -5.9655e-01 -3.6058e-01]",{<=NP(NCCC)(NCCC)=NS(=O)(NCCC)=NP(NCCC)(NCCC)=>},"[-3.2422e-01 -4.0410e-01 -6.1679e-01 2.1101e-01 6.0594e-01 1.8067e-01 2.8690e-01 -2.4080e-01 9.4337e-02 -1.9964e-01 7.8319e-01 4.1619e-01 -9.0686e-01 -3.3566e-01 3.7733e-01 1.0811e+00 6.4959e-02 1.2220e+00 4.4657e-01 1.1669e+00 -1.5932e-01 -1.7485e-01 -8.6164e-01 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[*]=NP(=NS(=O)(=NP(=[*])(NCCCC)NCCCC)NCCCC)(NCCCC)NCCCC,,*N=P(N=P(N=S(*)(=O)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC,257.15,GREA,257.15,,1,0.0,black,25,5.0,5,5,5,1.9166666666666667,1.25,2.5,9.583333333333334,1.8,1,3,9,1,10.953048435821252,5,5,10,0,0,0,130.1,0.0,0,28.66833738581093,365.4457468,25,0,25.695138888888888,98.82690222771322,8.0,0,0,0,0,20,0,0,0,0,1.0,5,9,1,4.056776400917214,1,2,3,0,0,0,54.15,0.0,0,0.0,152.9315559,1,6,10.610648148148147,0.0,2.0,0,0,0,0,3,5,0,0,0,1.0,9,6.486123015,5,4,23,0,0,0,114.3,0.0,0,25.07127512,512.3303524800001,28,4,14.440017321743516,98.82690222771322,0.71875,0,0,0,0,28,5,0,0,0,0.4117647058823529,14,Polyphosphazenes,"Polyphosphazenes, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.4551e+00 1.3015e-02 -7.3404e-01 6.3463e-02 5.9613e-01 1.4670e+00 2.5509e-01 -9.7214e-01 -6.0257e-02 -2.9655e-01 1.1768e+00 -1.5232e-01 -5.3632e-01 -5.3944e-01 3.7231e-01 1.2148e+00 5.8521e-01 1.8835e+00 6.8389e-01 4.8404e-01 9.6355e-01 -5.2253e-01 -1.7328e+00 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[*]=NP(=NS(=O)(=NP(=[*])(NCCCCCC)NCCCCCC)NCCCCCC)(NCCCCCC)NCCCCCC,,*N=P(N=P(N=S(*)(=O)NCCCCCC)(NCCCCCC)NCCCCCC)(NCCCCCC)NCCCCCC,255.15,GREA,255.15,,1,0.0,black,35,7.0,7,7,5,2.6833333333333336,1.75,3.5,13.416666666666668,1.8,1,3,9,1,12.237364439381718,5,5,20,0,0,0,130.1,0.0,0,28.66833738581093,505.6022474,35,0,26.34644274376417,163.0351184569733,5.7142857142857135,0,0,0,0,30,0,0,0,0,0.7142857142857142,5,9,1,4.056776400917214,1,2,3,0,0,0,54.15,0.0,0,0.0,152.9315559,1,6,10.610648148148147,0.0,2.0,0,0,0,0,3,5,0,0,0,1.0,9,6.506555176236881,5,4,33,0,0,0,114.3,0.0,0,25.07127512,652.4868531200001,38,4,15.007867912660933,163.03511845697338,0.5476190476190477,0,0,0,0,38,5,0,0,0,0.3181818181818182,14,Polyphosphazenes,"Polyphosphazenes, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.0590e+00 7.2059e-03 -5.3190e-01 -1.7949e-01 1.5486e-01 1.3967e+00 2.9456e-01 -1.0534e+00 -2.7404e-01 -6.3393e-03 1.5071e+00 -6.6388e-01 -8.2324e-01 -7.6861e-01 1.7993e-01 1.0877e+00 1.8501e-01 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[*]=NP(Cl)(Cl)=NP(Cl)(Cl)=NC(=[*])Cl,,*=NP(Cl)(Cl)=NP(Cl)(Cl)=NC(=*)Cl,252.15,GREA,252.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,13,1,5.218579014423943,0,1,3,0,0,0,37.08,0.0,0,0.0,290.8010087,7,4,5.799097222222222,0.0,1.2727272727272727,5,0,5,0,8,4,0,0,0,0.9230769230769232,12,5.218579014423943,0,1,3,0,0,0,37.08,0.0,0,0.0,290.8010087,7,4,5.799097222222222,0.0,1.2727272727272727,5,0,5,0,8,4,0,0,0,0.9230769230769232,12,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-0.6269 -0.9034 -1.8196 -2.3728 0.1045 0.2877 0.3404 -0.5759 -0.786 0.9369 0.2878 0.9542 -1.1891 -1.8995 1.2232 -0.4113 0.5943 1.1259 -0.7484 -0.487 1.7109 0.5684 -0.7662 -0.2856 0.9016 -1.1431 2.0604 -0.2045 0.0415 0.6901 1.0751 1.6337 1.5535 -0.2983 -0.6565 -0.3794 2.2163 -0.6489 -1.3042 1.4041 0.1352 -1.5642 -0.0713 -1.0658 -0.7908 0.0321 0.073 1.1058 0.2029 0.3647 -2.1914 1.8906 0.3745 1.5512 1.7507 0.1499 -0.7702 0.6866 -0.1289 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0.5534 1.4299 1.0039 2.261 -0.7961 -0.885 -1.0995 -2.1481 -2.085 0.3788 1.835 0.6413 -0.7148 -0.1877 0.2315 0.1349 0.5574 -0.8177 -0.7373 0.2787 -0.4338 0.3107 2.2024 0.4001 -0.8343 0.3371 -1.1777 0.7246 0.4003 1.9562 -0.0729 0.3954 1.81 -0.8501 -1.8452 0.6658 1.9282 -0.0124 -0.9467 0.7422 1.9185 -0.2071 -0.0592 -1.0775 1.1988 1.3752 1.93 0.351 -0.8525 1.3286 0.0453 1.8457 -0.3047 -0.6028 -0.9014 -0.3633 -1.0566 0.1902 -0.8781 0.0322 0.5956 -0.4696]",{<=NP(Cl)(Cl)=NP(Cl)(Cl)=NC(Cl)=>},"[-2.8647e-01 -5.6516e-01 -6.0574e-01 -1.1908e+00 5.0454e-01 -3.4166e-01 5.9609e-02 1.4374e-01 -4.2259e-01 8.9694e-01 2.3337e-01 7.2339e-01 -3.7198e-01 -6.1194e-01 6.1497e-01 -2.2429e-01 2.2969e-01 5.7519e-01 -2.3450e-01 1.1704e-01 6.4395e-01 3.2833e-01 -5.2088e-01 9.4056e-02 6.8917e-01 -6.9608e-01 1.1395e+00 7.8660e-02 -4.8213e-01 3.4094e-01 3.8570e-01 1.0458e+00 6.2378e-01 6.2071e-03 -6.6037e-01 4.5573e-01 8.3098e-01 -1.0897e-02 -1.8493e-01 5.1801e-01 1.5576e-01 -4.2774e-01 2.7771e-01 -6.6039e-01 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-1.3983e+00 -8.6167e-01 -5.3332e-01 -1.6134e-01 1.1110e+00 5.3909e-01 1.6568e-01 -4.2862e-01 2.2954e-01 -1.2464e+00 -2.8225e-01 -2.1482e-02 3.9242e-01 3.7935e-01 -1.6071e-01 -8.9730e-01 -7.6143e-01 -2.8092e-01 -9.9496e-01 -2.7815e-01 -8.1800e-02 7.7546e-02 8.0470e-01 5.1802e-01 1.1115e+00 -2.0652e-01 2.5380e-01 9.6824e-01 3.7048e-01 6.1975e-01 -4.7558e-01 1.2566e-01 -1.4635e+00 -3.1561e-02 3.2809e-01 3.6554e-01 -6.9435e-01 1.5478e+00 7.7711e-01 1.4124e+00 3.1300e-01 -6.7636e-01 -4.9191e-01 -5.3661e-01 -3.8398e-01 9.5422e-02 2.5291e-01 -1.9322e+00 6.6570e-01 3.0425e-01 -1.1940e+00 8.9395e-01 -9.7643e-01 -4.6260e-01 -3.7356e-01 4.5791e-01 -5.7031e-01 6.2620e-01 1.0959e+00 9.2652e-01 -4.1660e-01 1.8719e-01 2.8923e-01 1.4101e-01 4.3250e-01 4.2034e-01 1.5223e-01 -3.5300e-02 -2.9256e-01 -6.2171e-01 -8.5725e-01 -7.0475e-01 6.2028e-01 3.9092e-01 1.9108e-01 1.1515e-01 -5.1109e-01 -3.0713e-01 -4.5309e-01 1.7641e-01 -8.3014e-01 1.1939e-01 4.3660e-01 -1.9053e-01 1.6594e-01 1.3911e+00 7.4438e-02 -3.6860e-01 3.4924e-01 -6.4546e-01 1.9811e-01 1.4576e-02 1.0506e+00 -3.2381e-01 5.7357e-01 1.0857e+00 -2.2926e-01 -9.9892e-01 -3.0492e-02 8.3352e-01 7.4610e-03 -7.9309e-01 4.0395e-01 1.4388e+00 -4.2362e-01 -8.9834e-01 -6.6197e-02 4.2648e-01 -9.9362e-03 6.1015e-01 -5.9123e-01 -4.9938e-01 9.3066e-01 -2.7763e-01 5.3060e-01 -1.4049e-01 3.1540e-01 -2.2118e-01 1.8305e-01 -6.1377e-01 -3.4983e-01 -3.9129e-01 2.1734e-01 4.0393e-01 1.9384e-01]" [*]=NP(Cl)(Cl)=NP(Cl)(Cl)=NS(=[*])(=O)F,,*N=P(Cl)(Cl)N=P(Cl)(Cl)N=S(*)(=O)F,217.15,GREA,217.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,14,1,5.535131961642319,0,1,3,0,0,0,54.15,0.0,0,0.0,310.7975448,8,4,12.746033320735702,0.0,1.4166666666666667,5,1,4,0,8,5,0,0,0,1.0,14,5.535131961642319,0,1,3,0,0,0,54.15,0.0,0,0.0,310.7975448,8,4,12.746033320735702,0.0,1.4166666666666667,5,1,4,0,8,5,0,0,0,1.0,14,Polyphosphazenes,"Polyphosphazenes, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.5697e+00 -9.6446e-01 -2.1459e+00 -1.3282e+00 5.5838e-01 1.2278e+00 8.2971e-01 -1.5917e-02 -4.3543e-01 8.7738e-01 9.1559e-01 6.6381e-01 -9.5481e-01 -1.3938e+00 6.0275e-01 -1.6027e-01 1.5274e+00 8.7533e-01 -1.3896e+00 -3.6231e-01 1.4247e+00 -5.2975e-02 -2.7306e-01 1.4401e-01 6.8307e-01 -6.5687e-01 2.4477e+00 5.1806e-01 2.9727e-01 -1.8835e-01 1.4773e-01 1.5623e+00 1.8435e+00 -5.7907e-01 -5.3362e-01 -4.0529e-01 1.9359e+00 -9.1879e-01 -1.6230e+00 2.4620e+00 3.3992e-01 -1.0454e+00 -7.8006e-02 -9.6457e-01 -7.9748e-01 -6.8736e-01 -3.3706e-01 1.1093e-01 -3.8197e-02 1.0048e+00 -1.9238e+00 2.3636e+00 8.0385e-01 7.7414e-01 2.1952e+00 -4.2028e-01 -9.8446e-01 7.0872e-01 4.6231e-01 2.2516e+00 -2.4723e-01 1.9950e+00 -3.6055e-01 -9.6468e-01 -3.1899e-01 -6.8468e-01 7.8702e-01 -3.8119e-01 5.0535e-01 -1.8384e-01 -1.9489e+00 -1.4816e+00 1.9308e+00 1.0544e+00 1.1143e-01 2.8725e-02 1.3301e+00 6.2254e-03 -5.3544e-01 1.1615e-03 1.7309e+00 -3.2604e-01 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[*]=NP(Cl)(Cl)=NP(Cl)(Cl)=NS(=[*])Cl,,*N=P(Cl)(Cl)N=P(Cl)(Cl)/N=S(/*)Cl,233.15,GREA,233.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,13,1,5.218579014423943,0,1,3,0,0,0,37.08,0.0,0,0.0,310.7730797,8,3,5.826874999999999,0.0,1.2727272727272727,5,0,5,0,8,4,0,0,0,1.0,13,5.218579014423943,0,1,3,0,0,0,37.08,0.0,0,0.0,310.7730797,8,3,5.826874999999999,0.0,1.2727272727272727,5,0,5,0,8,4,0,0,0,1.0,13,Polysulfides,"Polysulfides, Polyphosphazenes, Polyimines","[-1.0719 -0.8038 -1.8787 -1.8356 0.4845 1.2491 0.2343 -0.5085 -0.7335 0.6677 0.4446 0.4527 -0.841 -1.759 0.8663 -0.2558 0.9875 0.844 -1.1533 -0.4967 2.1438 -0.0701 -0.6735 0.0146 0.665 -0.7866 2.6425 0.3018 -0.1281 0.8838 0.8433 1.6468 1.4418 -0.603 -0.2767 -0.6356 1.9921 -0.4797 -1.5335 2.0742 -0.0584 -1.2317 0.1244 -0.702 -1.0198 -0.0655 0.1694 0.5553 0.1107 0.509 -2.1104 1.8852 0.6904 0.9072 2.2821 -0.2758 -0.876 0.192 0.3628 2.2737 -0.3969 1.8205 -0.7747 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-0.3444 -0.2926 -0.4718 0.3845 -0.683 -0.0699 0.4022 -0.2668 -0.0537 1.0895 -0.009 -0.0252 0.7151 -0.7787 -0.1835 -0.1816 0.6977 -0.5327 0.3753 1.2281 -0.3588 -1.2702 0.0494 0.7974 0.1684 -0.6783 0.3847 1.1857 -0.424 -0.9436 -0.1025 0.4394 -0.1051 0.6148 -0.6237 -0.1083 0.905 -0.206 0.4262 -0.0094 0.2471 -0.1788 0.4013 -0.6195 -0.4193 -0.5196 0.4308 -0.1338 0.0225]" [*]=NS(=NP(=NP(=[*])(Cl)Oc1cccc(-c2ccccc2)c1)(Oc1cccc(-c2ccccc2)c1)Oc1cccc(-c2ccccc2)c1)Oc1cccc(-c2ccccc2)c1,,*N=P(Cl)(N=P(/N=S(/*)Oc1cccc(-c2ccccc2)c1)(Oc1cccc(-c2ccccc2)c1)Oc1cccc(-c2ccccc2)c1)Oc1cccc(-c2ccccc2)c1,305.15,GREA,305.15,,1,0.0,black,52,13.0,13,13,4,4.333333333333333,3.25,6.5,17.333333333333332,2.25,1,3,9,1,9.900742693454148,4,4,4,8,0,8,80.92,0.0,0,0.0,680.2926598,0,52,37.09750566893424,0.0,2.769230769230769,0,0,0,0,8,0,0,0,24,0.3076923076923077,4,9,1,3.5909949457215293,1,1,3,0,0,0,37.08,0.0,0,0.0,172.913319,3,4,5.717968946837994,0.0,2.142857142857143,1,0,1,0,4,4,0,0,0,1.0,9,1.2801154465800222,0,5,15,8,0,8,74.00000000000001,0.0,0,17.75432691778516,847.1590285719999,4,55,7.604000150702733,0.0,0.4067796610169492,1,0,1,0,16,4,0,0,6,0.2131147540983606,13,Polysulfides,"Polysulfides, Polyphosphazenes, Polyimines","[ 6.2198e-02 -5.9493e-01 -1.5023e+00 2.1988e-01 1.1248e-01 1.5456e+00 -4.6383e-01 -4.5051e-01 -3.8296e-01 1.4675e-01 -8.1153e-02 -3.6067e-01 1.0103e+00 -1.9199e-01 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[*]=NS(=NP(Cl)(=NP(=[*])(Cl)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1,,*N=P(Cl)(N=P(Cl)(/N=S(/*)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1,352.15,GREA,352.15,,1,0.0,black,39,13.0,13,13,3,4.694444444444444,3.25,6.5,14.083333333333332,2.0,1,3,6,1,7.608211338004843,3,3,3,6,0,6,60.69,0.0,0,0.0,510.2194948,0,39,28.69184240362812,0.0,2.0769230769230766,0,0,0,0,6,0,0,0,18,0.2307692307692307,3,10,1,4.063031482447143,1,1,3,0,0,0,37.08,0.0,0,0.0,208.8899967,5,3,5.764953703703703,0.0,1.75,2,0,2,0,5,4,0,0,0,1.0,10,1.442619386244556,0,4,12,6,0,6,64.77000000000001,0.0,0,13.230579756073343,713.0625413,5,42,7.490931621032933,0.0,0.5106382978723404,2,0,2,0,14,4,0,0,6,0.2653061224489796,13,Polysulfides,"Polysulfides, Polyphosphazenes, Polyimines","[-1.0892e-01 -6.5706e-01 -1.5071e+00 -6.1739e-01 -1.7748e-01 1.1306e+00 -9.3682e-01 -4.8840e-02 3.4415e-02 -1.6454e-01 1.9066e-01 8.9827e-02 3.4046e-01 -9.1223e-01 1.4997e+00 2.6815e-01 -2.3689e-01 -5.5342e-01 -4.2102e-03 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0.0494 -0.0395 0.6235 0.3219 -0.9032 0.4014 0.7998 1.8415 -0.2774 -0.0073 -0.582 -0.2089 -0.1218 0.4039 -0.5213 -0.3579 0.1071 -0.6746 0.1576 -0.3676 0.584 -0.0377 -0.5548 0.7891 -0.5063 0.4119 -1.231 -0.6554 0.2543 0.4869 0.0251 -0.626 -0.363 -0.2949 0.0825 -0.951 -0.9025 0.3776 0.413 0.0373 -0.2507 0.239 0.0975 -0.0996 0.0128 -0.3894 -0.7175 -0.274 -0.5868 0.6898 1.3404 -0.3361 0.8363 0.3961 -0.7003 -0.1617 0.3818 0.271 -0.1388 -0.4271 -0.5489 0.5443 -0.0313 -0.0232 -0.3574 -0.1185 -0.0205 0.6111 0.8034 -0.097 -0.3683 -0.1209 -0.7792 -0.978 0.7056 -0.0296 0.3962 -0.4327 0.081 0.051 -0.286 0.4227 0.5143 -0.1096 -0.0731 -0.6668 1.1422 0.4868 -0.8128 -0.2839 -0.4596 -0.7737 -0.2941 -0.3185 -0.0973 0.5941 0.0248 0.6927 -0.1905 -0.0599 0.3623 0.6679 -0.8678 -0.0138 0.4858 0.4218 0.2934 0.5462 -0.0618 -0.9641 -0.2244 1.0937 -0.2799 0.4808 0.6962 0.4293 -0.6072 -0.713 0.412 0.0544 -0.3126 -0.1243 -0.2525 -0.714 -0.1025 -0.438 -0.1575 -0.2624 0.1813 0.2674 0.2102 0.5445 0.0536 0.5629 0.3614 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[*]=Nc1ccc(/N=C(\C)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C(=[*])C)cc5)cc4)cc3)cc2)cc1,,*Oc1ccc(/C(C)=N/c2ccc(/N=C(\C)c3ccc(Oc4ccc(C(C)(C)c5ccc(*)cc5)cc4)cc3)cc2)cc1,434.15,GREA,434.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,43,1,1.211260820794825,0,4,10,5,0,5,43.18000000000001,0.0,0,9.473725907600098,536.2463783,5,36,6.164166105913324,33.10993926815928,0.5609756097560976,0,0,0,0,14,3,0,0,6,0.1395348837209302,6,1.211260820794825,0,4,10,5,0,5,43.18000000000001,0.0,0,9.473725907600098,536.2463783,5,36,6.164166105913324,33.10993926815928,0.5609756097560976,0,0,0,0,14,3,0,0,6,0.1395348837209302,6,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-4.6262e-03 5.6177e-01 -1.0901e+00 5.1825e-01 3.6076e-01 1.1932e+00 -1.6730e-01 -2.2399e-01 -1.6781e-01 6.3793e-01 3.0161e-01 5.7757e-01 4.2281e-01 -1.2295e+00 3.7124e-01 -3.9282e-01 9.3976e-01 -1.3135e-02 7.9664e-01 -2.4471e-01 3.6464e-01 -1.0241e+00 2.6069e-01 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1.6487e-01 -2.2994e-03 9.6030e-02 3.3295e-01 1.0570e-01 -2.8205e-01 3.2564e-01 -9.0287e-01 -1.8318e+00 -1.4086e+00 3.1359e-01 9.3631e-02 -1.3579e-01 -6.6857e-01 7.4216e-01 5.0283e-01 1.0039e+00 2.5231e-01 1.6667e-01 6.1321e-01 5.5948e-01 1.0882e+00 -2.2596e-01 -7.9340e-01 1.0954e-01 -2.8114e-01 1.0430e+00 -1.6406e+00 -4.1145e-01 -1.9790e-01 6.0532e-01 6.4691e-01 -4.0846e-01 3.5638e-01 6.9345e-01 3.1612e-01 2.1069e-01 2.6428e-01 6.0336e-01 5.8598e-01 -1.8772e-01 -4.8667e-01 7.0678e-01 -3.4537e-01 -2.7055e-01 -2.7617e-01 -9.0569e-01 -8.1485e-02 9.4230e-01 2.2867e-01 8.0716e-01 -5.7530e-01 1.3678e+00 -3.5428e-01 3.9578e-01 1.2217e+00 -4.6647e-02 4.2208e-01 -4.2804e-01 -4.7452e-01 -8.2852e-01 9.7787e-01 -6.4724e-01 7.9882e-01 -4.5178e-01 2.9675e-01 6.7572e-01 2.0132e-01 8.8278e-01 3.1696e-01 5.4794e-01 -9.6222e-01 -1.4439e+00 1.8370e+00 3.6321e-01 9.2760e-01 1.0025e-01 -1.4695e+00 2.0042e-01 8.9229e-03 -9.2301e-01 -8.8164e-01 2.3441e+00 -1.5376e-01 -2.5306e-01 -7.9728e-01 -7.1135e-02 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[*]=Nc1ccc(/N=C(\C)c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc(C(=[*])C)cc5)cc4)cc3)cc2)cc1,,*Oc1ccc(/C(C)=N/c2ccc(/N=C(\C)c3ccc(Oc4ccc(C(c5ccccc5)(c5ccccc5)c5ccc(*)cc5)cc4)cc3)cc2)cc1,451.15,GREA,451.15,,1,0.0,black,12,6.0,6,6,2,0.5,0.5,0.5,1.0,11.0,11,11,22,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,41,1,1.1476797284132243,0,4,10,5,0,5,43.18000000000001,0.0,0,9.473725907600098,508.21507813599993,3,36,6.095997171672961,20.268296022307258,0.5641025641025641,0,0,0,0,12,3,0,0,6,0.1463414634146341,6,1.1844545523020968,0,4,12,7,0,7,43.18000000000001,0.0,0,9.473725907600098,660.2776784,3,48,6.375595622164269,19.26246486877803,0.4509803921568627,0,0,0,0,14,3,0,0,6,0.1132075471698113,6,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-1.2108e-01 5.2717e-01 -1.0476e+00 6.3652e-01 3.7277e-01 1.2317e+00 -8.4787e-02 -4.4431e-01 -5.5506e-01 5.7058e-01 9.5667e-02 4.4142e-01 9.1882e-01 -1.1734e+00 1.8728e-01 -2.3301e-01 7.6172e-01 -2.9831e-02 1.0817e+00 -1.2699e-01 4.2569e-01 -1.1615e+00 5.1823e-01 -2.0760e-01 5.9457e-02 7.9252e-01 1.3952e+00 1.1892e-01 -7.9646e-01 1.9163e-01 -3.2397e-01 8.9270e-01 7.5520e-01 1.9576e-01 -2.0737e+00 -1.0784e-01 6.5799e-01 8.6337e-01 2.3616e-01 -6.3168e-01 3.2041e-01 2.6808e-02 6.0489e-01 8.8927e-01 2.8680e-02 2.0862e+00 -1.2065e+00 -3.0049e-01 -1.0066e+00 -2.2498e-01 -1.1811e+00 -1.4477e+00 -3.4879e-01 -4.3024e-01 2.1331e+00 -3.8756e-01 4.4651e-01 -7.7177e-01 -5.2168e-01 5.1368e-01 -1.1639e-01 1.5109e+00 -9.4526e-01 4.2602e-01 2.2086e-01 -1.4453e-01 4.3802e-01 9.3346e-01 -4.0692e-01 -5.3507e-01 -1.3696e+00 -6.2146e-02 5.8760e-01 9.4111e-01 1.0152e+00 -9.1722e-03 2.8054e-01 -4.0218e-01 -1.2136e+00 -5.8753e-01 -7.2328e-01 -7.8239e-01 1.0120e-01 -2.1925e-01 4.9075e-01 1.8834e+00 -3.5170e-01 5.3260e-02 -8.8351e-01 2.6864e-01 3.6026e-01 -1.0639e-01 -1.6581e+00 -3.7015e-01 -1.4925e+00 -6.0825e-02 -9.3108e-01 2.5067e-01 -1.0758e-01 -3.0725e-01 1.4090e+00 8.2828e-04 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[*]=Nc1ccc(/N=C(\c2ccccc2)c2ccc(C(=[*])c3ccccc3)cc2)cc1,,*=Nc1ccc(/N=C(\c2ccccc2)c2ccc(C(=*)c3ccccc3)cc2)cc1,452.15,GREA,452.15,,1,0.0,black,12,6.0,6,6,2,1.9285714285714288,0.8571428571428571,3.0,3.857142857142857,3.5,1,6,7,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,18,1,2.1273482565839594,0,2,4,2,0,2,24.72,0.0,0,0.0,206.0843983,0,16,4.466548563869992,0.0,0.875,0,0,0,0,4,3,0,0,6,0.2222222222222222,4,1.7111676866656462,0,2,6,4,0,4,24.72,0.0,0,0.0,358.1469986,0,28,5.011399698385629,0.0,0.5357142857142857,0,0,0,0,6,3,0,0,6,0.1333333333333333,4,Polyimines,Polyimines,"[ 0.2854 0.4567 -1.938 0.7675 0.4353 0.0381 0.5593 -0.5114 -0.8315 0.6731 0.3975 0.9299 1.0584 -1.5491 0.4359 -0.4617 1.1581 -0.5015 0.4596 0.2344 0.9167 -0.1953 1.2229 -0.4461 -0.2729 0.2543 1.5562 0.0851 -0.0855 -0.0121 -0.396 0.6681 0.4055 0.0857 -1.578 -0.5056 1.4257 0.4118 -0.3291 -0.3505 0.876 -0.2786 0.8369 1.1122 -0.4942 1.9187 -0.7481 -0.6082 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[*]=Nc1ccc(/N=C(\c2ccccc2)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=[*])c6ccccc6)cc5)cc4)cc3)cc2)cc1,,*Oc1ccc(-c2ccc(Oc3ccc(/C(=N/c4ccc(/N=C(\c5ccccc5)c5ccc(*)cc5)cc4)c4ccccc4)cc3)cc2)cc1,468.15,GREA,468.15,,1,0.0,black,12,6.0,6,6,2,1.875,0.75,3.0,3.75,4.0,1,7,8,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,38,1,1.1753199197524484,0,4,9,5,0,5,43.18000000000001,0.0,0,9.473725907600098,466.1681279,0,36,6.047151776967577,0.0,0.5,0,0,0,0,9,3,0,0,6,0.1578947368421052,6,0.9914217392660644,0,4,11,7,0,7,43.18000000000001,0.0,0,9.473725907600098,618.2307282,0,48,6.2251759858154525,0.0,0.3958333333333333,0,0,0,0,11,3,0,0,6,0.12,6,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[ 4.8696e-02 2.2541e-01 -1.7646e+00 5.7616e-01 3.6030e-01 8.7129e-01 1.3691e-02 -3.7505e-01 -7.0472e-01 1.1115e+00 4.3227e-01 6.6345e-01 7.5567e-01 -1.4101e+00 7.2509e-01 -6.4090e-01 9.2435e-01 -3.2662e-01 5.0765e-01 -7.8880e-02 4.3154e-01 -1.1036e+00 9.2757e-01 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[*]=Nc1ccc(/N=C(\c2ccccc2)c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc(C(=[*])c6ccccc6)cc5)cc4)cc3)cc2)cc1,,*Oc1ccc(/C(=N/c2ccc(/N=C(\c3ccccc3)c3ccc(Oc4ccc(C(c5ccccc5)(c5ccccc5)c5ccc(*)cc5)cc4)cc3)cc2)c2ccccc2)cc1,471.15,GREA,471.15,,1,0.0,black,24,6.0,6,6,4,1.1875,0.5,3.0,4.75,7.5,1,11,30,1,12.000000000000004,0,0,0,4,0,4,0.0,0.0,0,0.0,312.1878008,0,24,8.0,0.0,1.3333333333333333,0,0,0,0,0,0,0,0,24,0.0,0,39,1,1.132374716938362,0,4,10,5,0,5,43.18000000000001,0.0,0,9.473725907600098,480.18377800799993,1,36,6.049633272763724,6.4208216229260096,0.5405405405405406,0,0,0,0,10,3,0,0,6,0.1538461538461538,6,0.9989634981195916,0,4,14,9,0,9,43.18000000000001,0.0,0,9.473725907600098,784.3089785,1,60,6.503783291393966,5.414990469,0.3442622950819672,0,0,0,0,14,3,0,0,6,0.095238095,6,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-7.8062e-03 -1.0102e-01 -1.2062e+00 3.7558e-01 6.1606e-01 1.2119e+00 -2.9991e-02 -5.7347e-01 -9.5869e-01 3.6076e-01 3.1774e-02 4.6099e-01 1.1425e+00 -1.1004e+00 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1.9258e+00 -6.8260e-01 -1.3418e-01 5.4205e-01 5.6484e-01 -1.3783e+00 -1.4895e+00 3.9601e-01 2.1661e-01 -6.7280e-01 1.2284e+00 1.0707e+00 -2.6127e-01 9.9826e-03 -8.4455e-02 -6.3127e-01 -1.0606e+00 -1.7413e+00 -5.3265e-01 7.6018e-01 -1.1256e-01 -4.3495e-01 9.5928e-02 7.8899e-01 6.8550e-01 1.5459e+00 -3.7896e-01 -5.4382e-01 7.4313e-01 1.3710e-01 9.4802e-01 -3.0386e-01 -2.8614e-01 -1.4690e-01 -9.9850e-01 2.2154e+00 -2.0983e+00 -9.0071e-01 8.8291e-01 6.0530e-01 5.0956e-01 -8.7632e-01 -6.7335e-02 5.0419e-01 -7.9536e-02 -2.8862e-01 -4.7459e-01 3.6550e-02 1.5643e-01 -6.5112e-01 -3.1796e-01 -4.1852e-01 -1.1017e+00 -2.6890e-02 -1.6569e-01 -7.5609e-01 3.0556e-01 6.0586e-01 1.6530e-01 1.9199e-01 2.2500e-01 1.7115e+00 -6.6069e-02 1.3608e+00 1.4193e+00 1.1866e+00 -3.3401e-01 -8.0861e-02 -7.9279e-01 -3.2736e-01 8.7901e-01 -7.8840e-01 1.5734e-01 -2.5301e-01 5.1569e-01 9.4378e-01 -8.6738e-01 1.1131e+00 1.1041e+00 8.8716e-01 -1.6077e+00 -1.1973e+00 2.0841e+00 2.5764e-01 1.0112e+00 1.9486e-01 -1.4109e+00 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[*]=Nc1ccc(/N=C(\c2ccccc2)c2ccc(Oc3ccc(Oc4ccc(C(=[*])c5ccccc5)cc4)cc3)cc2)cc1,,*Oc1ccc(Oc2ccc(/C(=N/c3ccc(/N=C(\c4ccccc4)c4ccc(*)cc4)cc3)c3ccccc3)cc2)cc1,449.15,GREA,449.15,,1,0.0,black,12,6.0,6,6,2,1.875,0.75,3.0,3.75,4.0,1,7,8,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,32,1,1.3431816642453942,0,4,8,4,0,4,43.18000000000001,0.0,0,9.473725907600098,390.1368278,0,30,5.955388397134463,0.0,0.5666666666666667,0,0,0,0,8,3,0,0,6,0.1875,6,1.121382351386872,0,4,10,6,0,6,43.18000000000001,0.0,0,9.473725907600098,542.1994281,0,42,6.156185230240862,0.0,0.4285714285714285,0,0,0,0,10,3,0,0,6,0.1363636363636363,6,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[ 0.1202 0.365 -1.7017 0.4265 0.1292 0.4477 0.4438 -0.309 -1.1678 0.9367 0.8148 0.3392 0.7487 -1.4998 0.6279 -0.4439 0.9743 -0.2366 0.7432 0.1394 0.4882 -0.9905 1.1911 -0.483 0.2456 0.5588 1.0829 0.1877 -0.9524 -0.0775 -0.4436 1.7405 0.9898 -0.0296 -1.9763 -0.3034 1.0723 0.2681 -0.4656 -0.5046 0.692 -0.0256 0.6845 0.8292 0.3052 2.359 -1.3601 -0.1987 -1.0813 -0.1752 -0.91 -1.2787 -0.7025 0.2387 2.032 -0.4404 0.3442 -0.9817 -0.665 0.6122 -0.6513 1.8012 -1.2667 0.8993 0.4083 -0.3992 0.4001 0.8645 -0.1808 -1.1612 -1.1704 -0.5594 0.536 1.6142 0.8202 0.6223 0.4163 -0.5284 -1.0866 -1.0338 -0.5884 -0.3191 0.2849 -0.4303 0.097 2.1696 -0.2024 0.7466 -0.6938 0.0368 0.4678 -0.3044 -1.6763 0.3355 -1.8013 -0.0602 -1.2358 0.3994 0.0828 -0.4749 1.8308 0.0168 -0.1083 0.5408 0.9151 -1.2351 -1.5496 0.2702 0.1822 -0.4264 0.9227 0.6465 0.0718 0.1052 0.0103 -0.0977 -0.7129 -1.6149 -0.5389 0.8168 -0.4138 -0.9638 0.0177 0.2456 1.0534 0.8791 -0.248 -0.3909 1.0412 0.1434 1.0427 -0.7782 -0.5213 -0.0461 -0.5447 2.0319 -2.1054 -0.7536 0.3021 1.3805 0.0486 -1.2356 0.62 0.2324 0.059 -0.2766 -0.3093 0.8562 0.0734 -0.522 -0.0912 0.0921 -0.8097 0.384 0.1446 -0.4047 0.4731 0.8235 0.0998 0.3809 -0.1342 0.8028 0.0107 1.0605 1.5944 1.3491 -0.5207 -0.2192 -0.2158 -0.7599 0.5931 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[*]=Nc1ccc(/N=C(\c2ccccc2)c2ccc(Oc3ccc4ccc(Oc5ccc(C(=[*])c6ccccc6)cc5)cc4c3)cc2)cc1,,*Oc1ccc2ccc(Oc3ccc(/C(=N/c4ccc(/N=C(\c5ccccc5)c5ccc(*)cc5)cc4)c4ccccc4)cc3)cc2c1,444.15,GREA,444.15,,1,0.0,black,12,6.0,6,6,2,1.875,0.75,3.0,3.75,4.0,1,7,8,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,36,1,1.2702535921797165,0,4,8,5,0,5,43.18000000000001,0.2,0,9.473725907600098,440.1524779,0,34,6.1260523778724325,0.0,0.5588235294117647,0,0,0,0,8,3,0,1,6,0.1666666666666666,6,1.07352088,0,4,10,7,0,7,43.18000000000001,0.1428571428571428,0,9.473725907600098,592.2150781,0,46,6.319300411984994,0.0,0.4347826086956521,0,0,0,0,10,3,0,1,6,0.125,6,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[ 0.1583 -0.195 -1.2665 0.6052 0.1633 0.5519 0.091 -0.4635 -0.8351 1.1065 0.6083 0.3534 0.6458 -1.1471 0.182 -0.5313 0.5621 -0.1981 0.5501 -0.0336 0.1444 -1.0293 1.1065 -0.5363 0.2452 0.7201 1.1472 0.5077 -0.7992 0.0348 -0.1087 1.368 0.9807 0.0421 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0.2445 0.4002 -0.3478 -0.0482 0.4765 0.2668 0.5171 -0.0552 0.0054 0.576 -0.5454 0.343 -0.4263 -0.5965 -0.3011 -0.1312 -0.3138 -0.0079 0.1403 0.0726 0.2612 -0.4534 -0.0077 -0.3488 0.1106 0.5298 0.0756 0.1597 0.017 0.1281 -0.088 0.6564 -0.0897 -0.6145 -0.0929 0.214 -0.2327 0.3547 0.2272 -0.0706 0.0156 0.0082 -0.5296 -0.2978 0.0832 -0.1535 -0.4762 -0.3173 -0.337 0.4765 -0.1679 0.1418 -0.2321 -0.2077 0.0835 -0.2725 -0.1098 0.2752 -0.673 -0.4582 0.1682 -0.0693 -0.1295 -0.0469 0.8815 -0.2893 -0.3623 0.19 0.1355 -0.035 -0.7569 0.2088 0.1373 0.1175 0.3311 0.127 -0.3867 -0.3171 -0.1157 -0.7453 0.0876 -0.2406 0.0228 0.2206 0.3586 -0.5141 0.2911 0.3095 0.3837 0.6754 -0.1147 -0.3143 0.1494 -0.0136 0.3397 -0.1244 -0.24 -0.2047 -0.4064 0.1261 -0.4046 -0.2984 0.1733 0.0705 0.0037 -0.1126 -0.1067 0.3202 0.0847 -0.396 0.1494 -0.1269 0.1455 -0.1773 -0.0535 0.1211 -0.302 -0.1468 -0.1792 -0.0735 -0.1119 -0.0101 0.4559 0.588 -0.0876 -0.4376 0.0343 0.1711 0.1474 0.9193 -0.1449 -0.2658 -0.1537 -0.0557 0.4297 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[*]=Nc1ccc(Cc2ccc(NC(=[*])C)cc2)cc1,,*=Nc1ccc(Cc2ccc(NC(=*)C)cc2)cc1,415.15,GREA,415.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,19,1,2.054348077652563,1,2,5,2,0,2,24.39,0.0,0,5.316788604006331,222.1156984,2,15,4.4031841012214805,13.344558822616634,1.1176470588235294,0,0,0,0,6,2,0,0,6,0.2105263157894736,4,2.054348077652563,1,2,5,2,0,2,24.39,0.0,0,5.316788604006331,222.1156984,2,15,4.4031841012214805,13.344558822616634,1.1176470588235294,0,0,0,0,6,2,0,0,6,0.2105263157894736,4,Polyimines,Polyimines,"[-2.9681e-01 4.5898e-01 -1.3058e+00 8.9711e-01 -3.9296e-01 3.5082e-01 3.3253e-02 -1.9476e-02 -2.0959e-02 7.6926e-01 1.0622e+00 4.3421e-01 -1.3735e-01 -7.9393e-01 3.3305e-01 -1.7814e-01 1.0139e+00 1.9653e-01 9.7424e-01 -3.6676e-01 4.3227e-01 -3.6888e-01 1.0115e-01 -6.1545e-02 -3.3370e-01 5.0523e-01 1.6586e+00 -4.8575e-01 2.6015e-01 9.6635e-03 -2.9704e-01 4.1410e-02 9.6307e-01 2.9351e-01 -1.9419e+00 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3.5524e-01 -1.5250e+00 -8.8825e-02 -9.8877e-01 -1.8393e-01 -2.9112e-01 2.3916e-01 1.2265e-01 7.7121e-01 1.0278e+00 -1.0890e+00 -1.3908e+00 6.2094e-01 -9.4170e-01 9.2746e-01 -1.2638e+00 -4.8627e-01 1.1040e-01 5.5670e-01 1.4528e-01 -5.4944e-01 6.4229e-01 -1.4695e-01 6.0815e-01 7.0020e-02 -3.3212e-02 1.2668e+00 -5.7003e-01 -1.4139e-01 -1.0924e+00 -4.4335e-02 -9.1766e-01 -5.9624e-02 4.2829e-01 -1.4591e+00 5.0918e-01 1.2229e+00 1.3664e+00 3.0938e-01 -1.2199e+00 1.1100e+00 6.0718e-01 9.9714e-02 9.8213e-01 -9.4067e-02 1.7683e-01 -6.9043e-01 -3.0161e-01 -1.5718e+00 3.8219e-01 -3.6603e-01 4.5945e-01 8.0836e-01 -8.4733e-01 1.1151e-01 7.8358e-01 2.6612e-01 -3.8707e-01 3.4475e-01 -3.5180e-01 -1.6782e-01 1.7285e+00 1.3045e+00 9.5078e-01 5.2018e-01 -9.5241e-01 -6.1745e-01 6.1557e-04 -2.9537e-01 -1.1973e+00 9.8540e-01 -8.4449e-02 -7.6590e-01 -5.7713e-02 1.1382e+00 -1.3713e+00 1.1216e+00 -2.0371e+00 -4.7201e-02 -9.9225e-01 -6.5844e-01 -1.1574e+00 5.3448e-01 1.9463e-01 4.2367e-01 -7.3610e-01 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0.3169 0.1286 -0.3865 -0.103 0.6348 0.426 0.5272 -0.3317 -0.2698 0.2858 -0.6007 -0.5818 0.7808 -0.1736 -0.1143 0.2966 -0.1105 -0.0786 -0.1842 -0.1111 -0.5059 0.0595 -0.2669 0.4969 -0.1336 -0.3789 -0.5797 -0.301 -0.1556 -0.0957 -0.2348 -0.6194 -0.1975 -0.5537 0.0607 -0.1767 -0.593 -0.1503 0.5021 0.401 0.2975 -0.1728 0.5588 -0.3948 -0.1154 0.3568 0.2362 0.4485 -0.2839 0.0021 -0.0559 -0.6318 -0.3164 0.3562 0.1306 0.3534 -0.3016 0.2226 0.3629 -0.4707 -0.5648 0.5716 -0.4631 0.0169 -0.1559 0.2394 -0.0321 -0.5624 0.4596 -0.2613 0.0735 -0.1614 0.322 0.4259 0.6376 0.5179 -0.4561 -0.266 0.6621 -0.3516 0.1694 -0.6494 -0.1032 -0.013 -0.265 0.2991 -0.1108 -0.0891 -0.2117 0.5363 0.3446 -0.1962 0.6747 0.0561 0.2038 -0.0617 0.0992 -0.4353 0.4337 -0.0187 -0.1912 0.2888 0.2427 0.9881 -0.0443 -0.4883 -0.0377 0.1108 -0.3264 0.068 0.5341 -0.0449 -0.4347 0.2598 -0.0832 0.3619 0.0573 0.138 0.4451 -0.8431 -0.7336 0.2365 0.1938 0.2239 -0.0655 0.3619 0.9758 0.7463 1.3236 0.9268 -0.1181 -0.3853 -1.0554 0.21 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[*]=Nc1ccc(Cc2ccc(NC(=[*])CC)cc2)cc1,,*=Nc1ccc(Cc2ccc(NC(=*)CC)cc2)cc1,403.15,GREA,403.15,,1,0.0,black,2,2.0,2,2,1,1.0,1.0,1.0,1.0,1.0,1,1,1,1,1.0,0,0,0,0,0,0,0.0,0.0,0,0.0,30.04695019,2,0,2.0,13.847474399381248,1.0,0,0,0,0,1,0,0,0,0,0.0,0,18,1,2.0737040183644075,1,2,5,2,0,2,24.39,0.0,0,5.316788604006331,208.1000484,1,15,4.394952126643353,6.4208216229260096,1.0625,0,0,0,0,5,2,0,0,6,0.2222222222222222,4,2.0202341109523743,1,2,6,2,0,2,24.39,0.0,0,5.316788604006331,236.1313485,3,15,4.411244721919465,19.765380445542643,1.1111111111111112,0,0,0,0,7,2,0,0,6,0.2,4,Polyimines,Polyimines,"[-0.3086 0.5962 -1.179 1.0384 -0.0487 -0.0901 -0.1268 -0.1876 -0.1402 1.156 0.7518 0.846 -0.2101 -0.2418 0.1435 -0.0871 0.9616 0.4565 0.728 0.4609 0.2171 -0.3135 0.4191 -0.2787 -0.264 0.2235 1.8812 -0.5308 0.2535 -0.5034 -0.585 -0.2078 0.6537 0.1804 -1.5392 -0.7723 0.8675 -0.1873 -0.4142 0.1315 0.0705 -0.5767 0.5083 1.019 -0.8712 1.4658 0.6473 -1.1839 -0.7703 0.0836 -0.1134 0.27 -0.746 -0.46 1.4537 0.7934 0.7569 -0.787 -0.6975 2.0899 0.6193 1.1669 -1.4565 -0.4949 0.3539 -0.977 0.3942 1.6735 0.3604 -0.8768 -0.1857 -0.7997 0.6825 0.1305 0.2756 -0.6781 0.0694 -1.1912 0.3195 -0.2214 -0.8139 -0.3625 0.0045 0.2355 -0.0029 1.1247 -0.6218 0.0376 -0.631 0.3494 0.1557 -1.1799 -0.7381 0.1859 -0.2471 0.5733 -0.7141 0.4578 -0.3771 0.2773 0.8309 0.5906 0.6288 0.9208 1.0656 -1.0112 -2.108 -0.0777 -0.1558 -0.4388 0.5938 0.4232 0.1477 0.3172 -0.1613 -0.1345 0.494 -0.9868 -0.7619 -0.3073 -1.2334 0.4514 -1.2439 -0.1295 -0.7276 -0.2139 -0.1392 0.4496 -0.0136 0.4616 0.7364 -1.3663 -1.1744 0.7759 -0.672 0.4966 -1.3963 -0.0971 0.2744 0.7262 0.3955 -0.6593 0.5746 0.1156 0.8839 0.0192 -0.007 1.1631 -0.5955 -0.2081 -0.9697 -0.314 -0.7383 0.1189 0.4178 -1.0436 0.6364 1.0528 0.8716 -0.1073 -1.0545 1.0023 0.9925 0.2047 0.7901 0.2303 -0.145 -0.5992 0.1184 -1.544 0.1917 -0.0513 0.5268 1.2101 -0.6689 0.2874 0.9171 0.1632 -0.3808 0.3246 0.1278 0.1337 1.8351 0.9713 1.4364 0.3821 -0.8098 -0.5626 -0.1968 -0.4755 -0.9645 0.9781 0.0328 -0.4637 0.2465 1.1016 -1.6115 0.9259 -1.5883 0.0741 -0.9854 -0.4851 -1.0776 0.2514 -0.0231 0.6228 -0.823 -0.5155 1.4068 1.631 -0.3055 0.0948 -0.3229 0.4841 0.3484 -0.3335 0.4085 -0.2956 -2.2607 0.0975 0.2604 0.3092 -0.1287 1.4204 2.1709 0.3144 -0.8794 -2.5068 0.0309 -0.5207 0.461 0.1462 0.6512 0.1266 0.5248 -0.7061 -0.2567 1.0307 0.8085 0.6234 1.0844 -0.1239 -1.3334 0.7363 0.8827 2.1171 -1.8032 -0.2988 -0.4562 0.2372 0.0297 1.1828 -1.048 0.4775 0.2685 -0.8221]",{<=Nc1ccc(cc1)Cc2ccc(cc2)NC(CC)=>},"[ 0.4544 0.4833 -0.3916 0.4165 0.5058 -0.1334 0.1203 0.3835 0.0548 0.3718 -0.2949 0.4253 -0.3325 0.3886 -0.0425 0.0132 0.1515 0.1966 0.507 0.4429 0.0891 -0.1377 -0.198 -0.5556 0.0392 0.2931 0.5921 -0.8193 -0.0538 -0.1331 -0.1984 -0.486 0.0818 0.1141 0.2405 -0.5643 -0.1044 -0.3141 0.2499 0.5272 0.3871 0.2953 -0.3621 0.3334 -0.5057 -0.0111 0.5251 -0.7389 -0.4329 -0.0597 0.0722 0.1544 -0.3964 -0.5191 -0.1701 0.3229 0.1093 -0.466 -0.187 0.2672 0.542 0.5998 -0.2786 -0.5233 0.7504 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[*]=Nc1ccc(Cc2ccc(NC(=[*])CCC)cc2)cc1,,*=Nc1ccc(Cc2ccc(NC(=*)CCC)cc2)cc1,383.15,GREA,383.15,,1,0.0,black,3,3.0,3,3,1,1.5,1.5,1.5,1.5,1.0,1,1,1,1,1.6329931618554523,0,0,0,0,0,0,0.0,0.0,0,0.0,44.06260026,3,0,2.125,20.268296022307258,1.3333333333333333,0,0,0,0,2,0,0,0,0,0.0,0,18,1,2.0737040183644075,1,2,5,2,0,2,24.39,0.0,0,5.316788604006331,208.1000484,1,15,4.394952126643353,6.4208216229260096,1.0625,0,0,0,0,5,2,0,0,6,0.2222222222222222,4,1.977168705734672,1,2,7,2,0,2,24.39,0.0,0,5.316788604006331,250.1469986,4,15,4.418240186772072,26.186202068468653,1.105263157894737,0,0,0,0,8,2,0,0,6,0.1904761904761904,4,Polyimines,Polyimines,"[-2.5710e-01 5.3472e-01 -1.1249e+00 1.5431e+00 3.5281e-02 6.3038e-02 -1.9913e-01 -4.2966e-01 3.2879e-01 1.2923e+00 1.2114e+00 1.2218e+00 -2.0444e-01 -2.4327e-01 1.8625e-01 2.3853e-01 1.0827e+00 8.3480e-02 7.4049e-01 2.8700e-01 3.1860e-01 -6.1549e-01 2.5701e-01 -3.3069e-01 -4.2341e-01 4.3993e-01 1.9165e+00 -4.6658e-01 3.0608e-01 -5.9459e-01 -8.6557e-01 -5.0204e-02 4.3396e-01 3.0394e-01 -1.6155e+00 -8.6144e-01 1.2197e+00 -2.8842e-01 -4.7973e-01 4.9689e-02 1.9271e-01 -5.6223e-01 3.7672e-01 9.3777e-01 -8.4651e-01 1.6424e+00 6.4082e-01 -1.3417e+00 -8.0402e-01 2.7272e-01 -2.6690e-01 1.9539e-02 -7.0731e-01 -4.2337e-01 1.6299e+00 8.8940e-01 8.7285e-01 -1.3464e+00 -8.6906e-01 2.3003e+00 8.0803e-01 1.0896e+00 -1.7347e+00 -6.0628e-01 4.9766e-01 -1.1242e+00 5.5466e-01 1.6219e+00 5.1380e-01 -1.2787e+00 9.0790e-02 -7.1470e-01 5.2807e-01 -4.8083e-02 2.4517e-01 -1.0926e+00 1.1183e-01 -1.1717e+00 2.0401e-01 1.3633e-02 -7.1282e-01 -1.2361e-01 8.5482e-02 4.3765e-02 9.3202e-02 1.2114e+00 -5.7953e-01 -9.4416e-02 -4.8439e-01 4.3167e-01 1.6956e-01 -1.2839e+00 -4.7925e-01 1.8967e-01 -3.6991e-01 4.8024e-01 -6.4382e-01 3.0063e-01 -6.2033e-01 3.1268e-01 6.6970e-01 5.6878e-01 5.0008e-01 1.0498e+00 1.0310e+00 -1.0695e+00 -2.0853e+00 1.4263e-01 -1.1087e-01 -4.6538e-01 5.0684e-01 5.5779e-01 2.1525e-03 2.4338e-01 -3.4562e-01 -4.3289e-01 4.4488e-01 -1.0821e+00 -8.4793e-01 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6.1903e-01 -3.7843e-01 -2.3612e-02 9.3719e-02 9.3412e-02 4.7488e-01 3.5405e-01 3.8703e-01 -1.3832e-01 7.4475e-01 -7.5410e-01 5.1938e-02 2.9537e-01 -9.0319e-01 -5.8119e-01 -2.1786e-01 -1.1881e-01 -4.1298e-02 -9.7897e-02 -5.7577e-01 -7.3632e-02 4.6768e-01 3.5332e-02 -5.0727e-01 -9.2042e-02 4.1762e-01 5.2259e-01 4.4579e-01 -1.8383e-01 -6.0397e-01 8.4526e-01 -7.4173e-01 -3.8177e-01 6.2013e-01 5.5068e-02 -3.9574e-01 -9.9857e-02 2.1107e-01 -4.7919e-02 -2.6480e-01 6.2878e-02 -5.1566e-01 -4.2786e-02 -4.8122e-01 5.3686e-01 3.4996e-01 -3.0678e-01 -7.8564e-01 -2.2683e-01 -2.9713e-01 1.3077e-01 1.4695e-01 -5.8281e-01 -1.1840e-02 -1.0912e-01 6.6404e-01 -1.8365e-01 -5.3446e-01 1.5103e-02 2.4327e-01 7.0299e-01 3.8498e-01 -1.0090e-01 1.4720e-01 -6.2129e-02 2.7626e-01 2.4957e-01 1.2833e-01 5.7579e-02 -3.5546e-01 3.6559e-01 -6.5666e-02 -8.4957e-01 -4.0109e-01 3.9474e-01 -7.3675e-02 3.9415e-01 -3.9852e-01 8.5467e-02 2.5165e-01 -4.5628e-01 -5.5840e-01 1.4979e-01 -4.7267e-01 -1.3834e-01 -7.4702e-01 3.0534e-01 -1.0799e-01 -2.3444e-01 7.0307e-01 -1.8311e-01 2.4752e-02 1.4629e-01 3.5869e-01 6.0817e-02 5.7590e-01 2.0954e-01 -2.1069e-01 -3.1443e-01 8.2197e-01 -4.4813e-01 -3.8234e-02 -1.8223e-01 1.9509e-04 3.2265e-01 1.4826e-02 7.3078e-01 8.4489e-02 2.8657e-01 -2.0050e-01 5.0297e-01 -3.2516e-02 -5.5629e-03 3.4561e-01 -1.3902e-01 -6.2989e-02 4.9594e-02 -2.4166e-01 -4.5233e-01 9.9298e-03 2.6292e-01 -3.3075e-01 1.4349e-02 -7.8072e-02 6.8867e-01 2.5078e-01 -3.4297e-01 1.1260e-01 1.8279e-01 -4.3447e-01 8.6110e-02 4.0821e-01 -4.9509e-01 2.6569e-01 -3.3940e-02 -1.8768e-01 2.2956e-01 4.0088e-01 -1.0255e-01 4.4311e-01 -3.7874e-01 -5.8889e-01 7.4023e-01 2.2319e-01 7.3477e-02 -9.7781e-02 9.3683e-01 9.6891e-01 9.3902e-01 9.8796e-01 8.7098e-01 -1.4943e-01 -3.0680e-01 -5.2705e-01 3.2265e-01 -3.5600e-02 -8.7369e-02 -1.8549e-01 -1.0982e-01 2.7690e-01 -1.3768e-01 2.0435e-01 -6.6224e-01 -2.6036e-01 -8.2386e-01 1.5110e-01 -3.6865e-01 5.1482e-01 -1.9914e-01 4.1542e-01 -5.7477e-01 6.8684e-01 -3.6166e-01 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[*]=Nc1ccc(Cc2ccc(NC(=[*])CCCC)cc2)cc1,,*=Nc1ccc(Cc2ccc(NC(=*)CCCC)cc2)cc1,379.15,GREA,379.15,,1,0.0,black,4,4.0,4,4,1,2.0,2.0,2.0,2.0,1.0,1,1,1,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,58.07825032,4,0,2.180555555555556,26.689117645233267,1.0,0,0,0,0,3,0,0,0,0,0.0,0,18,1,2.0737040183644075,1,2,5,2,0,2,24.39,0.0,0,5.316788604006331,208.1000484,1,15,4.394952126643353,6.4208216229260096,1.0625,0,0,0,0,5,2,0,0,6,0.2222222222222222,4,1.929341293017364,1,2,8,2,0,2,24.39,0.0,0,5.316788604006331,264.1626486,5,15,4.424368658994294,32.60702369139466,1.1,0,0,0,0,9,2,0,0,6,0.1818181818181818,4,Polyimines,Polyimines,"[-0.611 0.6979 -0.9594 1.3426 -0.3327 0.2205 -0.1985 -0.2871 0.3316 1.4148 1.6059 1.447 -0.6256 -0.0387 0.1596 0.4594 1.4361 -0.0111 0.6612 0.2626 0.4675 -0.7326 0.3776 -0.9049 -0.3069 0.6915 2.1521 -0.3078 0.4643 -0.5584 -0.9005 -0.2665 0.3548 0.2156 -1.8165 -1.1854 1.5125 0.2619 -0.2353 -0.1246 0.1546 -0.3378 0.5888 0.8095 -0.7338 2.2192 0.632 -1.4568 -0.6776 0.1668 -0.4414 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3.8209e-01 1.7257e-01 2.5966e-01 -2.1291e-01 4.8782e-01 -7.5970e-01 4.5105e-02 2.0195e-01 -6.0695e-01 -6.5245e-01 -3.3096e-01 -1.6387e-01 5.0366e-02 -6.5586e-02 -5.5728e-01 1.7539e-02 2.0302e-01 -1.7830e-01 -8.6833e-01 -7.6876e-02 3.6128e-01 3.7008e-01 3.4478e-01 -2.8779e-01 -5.2244e-01 8.8907e-01 -9.4637e-01 -2.7253e-01 3.8536e-01 5.3861e-02 -3.9287e-01 9.0500e-02 -2.0407e-02 4.9989e-02 -3.4885e-01 5.2330e-02 -7.4135e-01 -4.1933e-02 -6.2673e-01 4.2598e-01 -8.9928e-02 -2.7045e-01 -4.7917e-01 -2.5638e-01 -2.7340e-01 -2.3770e-02 5.8864e-03 -5.4355e-01 3.4233e-02 6.2202e-03 7.3318e-01 -1.7211e-01 -5.8955e-01 -8.9837e-02 4.2391e-01 7.1525e-01 4.4538e-01 -3.5325e-02 2.4937e-01 -6.5840e-02 3.2797e-01 3.5960e-01 1.0525e-01 -1.1005e-02 -5.1786e-01 5.0735e-01 -2.6242e-02 -9.5183e-01 -7.5800e-02 4.9262e-01 7.6944e-02 4.6005e-01 -4.5716e-01 -2.5314e-01 1.4537e-01 -7.0688e-01 -6.2073e-01 2.8042e-02 -3.6234e-01 -6.3088e-02 -4.3611e-01 4.0878e-01 -1.8048e-01 -3.5606e-03 5.8699e-01 -1.5168e-01 -8.4260e-02 1.4136e-01 3.0761e-01 2.1768e-01 4.1407e-01 2.7684e-01 -4.3179e-01 -3.4518e-01 9.3148e-01 -1.5518e-01 5.1649e-02 -2.0344e-01 -2.2726e-01 3.5521e-01 2.3425e-01 6.4221e-01 -7.0033e-02 1.2815e-01 -2.4444e-01 4.5498e-01 -1.4216e-01 -1.5496e-01 5.0600e-01 -3.2487e-02 -1.6895e-01 -1.5013e-01 -2.5505e-01 -6.2608e-01 2.1184e-02 3.5549e-01 -1.0736e-01 6.3015e-03 -1.1850e-01 4.7742e-01 4.4055e-01 -2.6825e-01 6.2990e-02 1.2586e-01 -2.1145e-01 4.6135e-02 3.7968e-01 -4.9339e-01 9.0395e-02 -4.8030e-02 -2.6887e-01 1.7003e-01 1.6216e-01 -1.0774e-01 4.6075e-01 -5.1661e-01 -3.2106e-01 6.9547e-01 2.7417e-01 2.7753e-01 3.3621e-02 8.7265e-01 8.6109e-01 9.3046e-01 1.0334e+00 5.2834e-01 -1.6330e-01 -2.7791e-01 -4.5556e-01 3.1989e-01 1.3868e-02 1.3709e-01 -3.0793e-01 3.0974e-01 4.6299e-01 -1.3698e-01 6.4945e-02 -6.0571e-01 -1.2618e-01 -6.3228e-01 3.1836e-01 -1.0227e-01 6.3602e-01 -3.9940e-01 1.2308e-01 -3.8198e-01 6.0408e-01 -3.1293e-01 -5.5446e-02 4.8074e-01 3.4504e-01 -3.3592e-01 4.7358e-01 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[*]=Nc1ccc(Cc2ccc(NC(=[*])c3ccccc3)cc2)cc1,,*=Nc1ccc(Cc2ccc(NC(=*)c3ccccc3)cc2)cc1,431.15,GREA,431.15,,1,0.0,black,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,3.000000000000001,0,0,0,1,0,1,0.0,0.0,0,0.0,78.04695019,0,6,2.0,0.0,0.3333333333333333,0,0,0,0,0,0,0,0,6,0.0,0,18,1,2.0737040183644075,1,2,5,2,0,2,24.39,0.0,0,5.316788604006331,208.1000484,1,15,4.394952126643353,6.4208216229260096,1.0625,0,0,0,0,5,2,0,0,6,0.2222222222222222,4,1.6418939006333169,1,2,6,3,0,3,24.39,0.0,0,5.316788604006331,284.1313485,1,21,4.428155708330794,6.4208216229260096,0.8636363636363636,0,0,0,0,6,2,0,0,6,0.1666666666666666,4,Polyimines,Polyimines,"[-0.1659 0.7013 -1.6606 0.6667 0.1099 0.0707 0.3408 -0.3481 -0.5842 0.9362 1.1906 0.7091 0.1823 -0.3965 0.2379 -0.6396 1.0039 -0.0845 0.5555 0.1982 0.5808 -0.0591 1.2521 -0.4518 0.2454 -0.0875 1.5693 -0.2548 -0.1042 -0.1226 -0.6773 0.2436 0.4308 0.2447 -1.5367 -0.9586 1.1162 0.0676 -0.0721 -0.4459 0.382 -0.3232 0.7893 1.1006 -0.9386 1.9328 0.0825 -0.6749 -0.9129 -0.0697 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[*]=Nc1ccc(N=C(C=CC(=[*])c2ccccc2)c2ccccc2)cc1,,*=Nc1ccc(/N=C(/C=C/C(=*)c2ccccc2)c2ccccc2)cc1,430.15,GREA,430.15,,1,0.0,black,12,6.0,6,6,2,2.1,1.2,3.0,4.2,2.5,1,4,5,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,14,1,2.6776742098050974,0,2,4,1,0,1,24.72,0.0,0,0.0,156.0687483,0,12,4.308796656786376,0.0,1.1666666666666667,0,0,0,0,4,4,0,0,6,0.2857142857142857,4,1.9296344917882795,0,2,6,3,0,3,24.72,0.0,0,0.0,308.1313485,0,24,4.892913517258755,0.0,0.7083333333333334,0,0,0,0,6,4,0,0,6,0.1538461538461538,4,Polyimines,Polyimines,"[ 3.6122e-01 -3.3840e-01 -2.3009e+00 1.9637e-01 4.7550e-01 1.0973e-01 -1.8741e-02 -4.1006e-01 -4.9113e-01 4.0606e-01 1.0470e+00 8.7778e-01 1.4062e+00 -1.5680e+00 1.1840e+00 -9.3608e-01 1.6004e+00 -1.0043e+00 5.8813e-01 6.9411e-01 3.7589e-01 -4.6327e-01 7.6890e-01 -7.5624e-01 1.2445e-01 3.4800e-01 1.5439e+00 -6.1539e-01 3.3658e-01 2.6958e-02 -6.2013e-01 9.9653e-01 7.7112e-01 5.5424e-01 -1.6062e+00 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[*]=Nc1ccc(Oc2ccc(/N=C(\C)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc(C(=[*])C)cc6)cc5)cc4)cc3)cc2)cc1,,*Oc1ccc(/N=C(\C)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(/C(C)=N/c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,414.15,GREA,414.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,50,1,1.040872796935398,0,5,12,6,0,6,52.41000000000001,0.0,0,14.210588861400147,628.2725930119999,5,43,6.201996178,33.10993926815928,0.4791666666666667,0,0,0,0,16,3,0,0,6,0.14,7,1.040872796935398,0,5,12,6,0,6,52.41000000000001,0.0,0,14.210588861400147,628.2725930119999,5,43,6.201996178,33.10993926815928,0.4791666666666667,0,0,0,0,16,3,0,0,6,0.14,7,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-0.2432 0.5858 -0.8847 0.3483 0.0809 1.2674 -0.0372 -0.1715 0.0056 0.8641 0.07 0.1021 0.206 -1.0898 0.1967 0.2161 0.8433 -0.1391 1.1671 -0.5512 0.4629 -1.3543 0.4407 -0.3423 -0.1294 1.0272 1.1713 0.4308 -0.8827 0.5016 -0.4011 0.638 0.9188 0.2827 -2.5583 0.1823 0.7312 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-3.3536e-01]",{<=Nc1ccc(cc1)Oc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)c3ccc(cc3)Oc4ccc(cc4)/N=C5/OC(=O)c6ccc(cc65)C(=O)c7ccc8c(c7)C(OC8=O)=>},"[-5.3806e-01 -4.0776e-01 -3.5307e-01 -1.3788e-01 -1.5265e-01 -1.1491e-01 7.0157e-02 -1.4276e-01 3.2513e-01 2.7850e-01 -1.3880e-01 9.7342e-02 -1.6018e-01 -4.9088e-01 8.9030e-01 4.7916e-01 -3.5315e-02 -5.4592e-01 -5.1473e-01 3.6826e-01 -2.7668e-01 1.2410e-01 7.7790e-01 2.7797e-02 8.3138e-02 6.4711e-02 1.4493e-02 -1.4837e-01 3.2993e-01 9.3782e-02 1.7466e-01 3.8753e-01 -2.3731e-01 -2.5991e-03 -4.3287e-01 2.1451e-01 4.5081e-01 -1.8773e-01 -7.1234e-01 -5.4432e-02 1.9028e-01 3.6592e-01 7.4042e-02 -1.3158e-01 2.5675e-01 1.0554e-01 -1.6020e-01 2.7017e-01 -2.7014e-02 6.6463e-02 -2.5005e-01 2.8279e-01 -2.7166e-01 1.3245e-01 1.9466e-01 -3.4000e-01 1.6881e-01 4.9912e-02 9.1452e-02 -1.9725e-01 1.9939e-01 1.1432e-01 -5.6493e-01 4.6901e-01 -3.0330e-01 3.0722e-01 1.3734e-01 4.7837e-02 8.2898e-01 -4.4744e-01 -7.8246e-02 2.8052e-01 2.1637e-01 3.1481e-01 1.7807e-01 3.5227e-01 -3.0822e-01 8.3161e-02 -1.1913e+00 -6.0853e-02 7.4239e-02 -3.8473e-01 -2.7739e-01 4.9275e-01 4.1639e-01 4.4718e-01 -9.7201e-02 6.2810e-01 -3.7556e-01 -3.7975e-02 4.1598e-02 2.6301e-01 -1.8403e-01 4.5739e-01 2.5015e-02 -3.2035e-01 1.0128e+00 3.1041e-01 -5.9596e-01 -2.2737e-01 4.5550e-01 -1.2604e-01 -7.5879e-01 4.8806e-02 6.1004e-01 -3.9839e-01 -7.4666e-01 -2.1168e-01 2.8616e-01 9.5755e-03 1.4401e-01 -3.8830e-01 2.3125e-01 -2.5183e-01 5.2019e-01 6.2128e-01 -4.5577e-01 -5.1245e-01 1.9197e-01 -2.4861e-01 4.7567e-01 -3.1522e-01 3.3963e-01 3.3978e-01 4.6412e-01 4.7283e-01 -2.5359e-01 -1.4451e-01 1.7198e-01 8.4772e-03 -5.0130e-03 1.7230e-01 1.4837e-01 1.1624e-01 -3.4911e-01 8.5074e-02 1.3264e-01 -3.9518e-01 1.4163e-01 -3.0280e-01 -1.6043e-01 -9.3498e-02 -8.9193e-02 2.9478e-01 5.1450e-01 -3.3542e-01 -2.6762e-01 -2.6396e-01 -3.3687e-01 3.6342e-01 2.2585e-01 3.8748e-01 -1.6848e-01 2.5729e-01 2.7221e-01 1.0595e-02 -2.8559e-01 -9.6661e-02 -1.8097e-01 7.5379e-01 5.2360e-01 -5.1159e-01 -3.6362e-02 5.2445e-01 -6.8999e-01 8.6567e-01 2.8448e-01 -1.2937e-01 2.6739e-01 6.6633e-01 4.3185e-01 3.9832e-02 5.4758e-01 1.1132e-03 -4.3604e-01 -3.1266e-01 9.3032e-02 9.7534e-01 -1.9203e-01 -1.0891e-01 4.2909e-02 -2.1475e-02 9.4431e-01 -1.3584e-02 1.2624e-01 -6.4916e-01 1.3713e-01 2.8478e-01 1.0760e-01 -1.8054e-01 -2.1877e-01 6.1501e-01 4.3268e-01 4.0331e-01 -7.7812e-01 -4.9530e-01 3.1498e-01 -2.6654e-01 3.5889e-01 1.8256e-01 -3.3303e-01 9.7288e-02 5.7224e-01 -2.1904e-01 2.0925e-01 -4.9987e-03 -7.8755e-01 2.2850e-01 -7.1645e-02 4.3448e-01 -3.3218e-01 -3.8188e-01 2.2217e-01 -1.7536e-01 2.2036e-02 5.8823e-02 -1.4208e-01 6.3249e-01 -3.3928e-02 -6.7433e-01 -6.5549e-01 -5.5229e-02 -7.4467e-02 7.4144e-01 1.5408e-01 3.5264e-01 3.5003e-01 -3.0914e-01 1.4263e-01 -1.5480e-01 -4.1892e-01 -1.6219e-01 -3.8650e-01 -3.0203e-01 1.1375e-01 -8.9297e-01 -8.0705e-01 -4.7093e-01 -2.3105e-02 -6.4814e-01 5.2157e-01 2.6529e-01 -2.1676e-01 -5.1186e-01 1.7143e-01 -1.0547e-01 2.3187e-01 1.0277e-01 3.1241e-01 5.3443e-01 -4.5108e-01 1.3610e-01 -3.3666e-01 -3.2494e-02 -3.7268e-01 3.5024e-01]" [*]=Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N=C5OC(=O)c6cc7c(cc65)C(=[*])OC7=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,*=Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(/N=C5/OC(=O)c6cc7c(cc65)C(=*)OC7=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,560.15,GREA,560.15,,1,0.0,black,8,4.0,4,4,2,0.3333333333333333,0.3333333333333333,0.3333333333333333,0.6666666666666666,11.0,11,11,22,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,140.0060694,8,0,19.33333333333333,13.35842818841618,2.0,6,6,0,0,6,0,0,0,0,1.5,6,45,1,0.9741037058967942,0,8,8,7,2,5,95.78,0.2857142857142857,2,9.473725907600098,564.1321363599999,1,42,12.457321985543306,6.4208216229260096,0.5813953488372093,0,0,0,0,16,5,0,2,6,0.2222222222222222,10,1.1158187899377263,0,8,8,7,2,5,95.78,0.2857142857142857,2,9.473725907600098,700.1069056,9,42,14.744919596283186,17.76758750428373,0.5490196078431373,6,6,0,0,24,5,0,2,6,0.3018867924528302,16,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters, Polyimines","[-7.1158e-01 -2.8254e-02 -1.5271e+00 -2.2842e-01 2.8202e-01 3.4711e-01 9.0736e-02 -3.7275e-01 -7.8825e-01 2.7463e-01 -3.2466e-01 1.7091e-02 7.1892e-01 -7.7945e-01 3.8098e-01 -1.4033e+00 3.2452e-01 -1.0316e+00 -8.3331e-01 5.5717e-01 -4.9970e-01 -1.0105e+00 1.4735e+00 8.5010e-02 6.8905e-01 3.2614e-01 1.3120e-01 -3.9903e-01 -6.1974e-01 -1.9405e-01 4.3833e-02 3.3019e-01 5.3335e-01 -5.6029e-01 -6.7596e-01 -8.2113e-02 7.1736e-01 3.9252e-01 -1.8219e-01 -1.5458e-02 2.7061e-01 4.0231e-01 1.3673e-01 6.5336e-01 -1.5482e-01 8.5198e-01 -6.2124e-01 2.3964e-02 1.0886e-01 7.7563e-01 3.5808e-01 -9.1153e-01 -1.4748e-02 3.0401e-03 1.6292e+00 -8.0111e-01 1.9311e-01 5.4599e-01 -4.2974e-01 -2.5294e-01 8.3506e-01 1.4281e+00 -3.8638e-01 5.0776e-01 -3.7793e-01 -9.8683e-01 4.8717e-01 6.4915e-01 1.0839e+00 -7.6312e-01 -5.1180e-01 -1.3207e+00 1.1715e+00 1.3199e+00 8.5806e-01 6.7865e-01 -3.1762e-01 -5.2803e-01 -1.6856e+00 -6.9480e-01 2.1347e-01 -2.4801e-01 -5.3106e-01 3.0018e-01 5.5993e-01 2.0525e+00 6.8689e-02 1.5691e+00 1.7908e-03 5.1157e-01 2.9578e-01 5.1443e-01 -1.3292e+00 -4.9929e-01 -5.9228e-01 5.1423e-01 5.7104e-01 2.9576e-01 3.6111e-01 -7.2891e-01 5.9820e-01 -1.2739e-01 -9.9922e-01 4.0106e-01 9.7073e-01 -1.4972e+00 -1.4688e+00 2.0262e-01 1.1316e-01 -3.4936e-01 7.2934e-01 -4.6029e-01 8.7346e-01 -7.1426e-01 -5.3726e-01 5.5176e-01 -9.8110e-01 -1.6356e+00 7.8368e-01 1.0860e-01 9.1931e-02 -6.9215e-01 1.0117e+00 1.0277e+00 4.1785e-02 7.9575e-01 8.2801e-02 -6.3447e-01 1.0239e+00 2.5173e-01 3.6656e-01 4.8620e-01 2.8393e-01 -5.3797e-02 -4.3443e-01 4.2426e-01 -2.3309e-01 -9.4587e-01 2.5067e-02 2.1540e-01 1.0982e+00 -1.0207e+00 -9.4796e-01 -1.5669e-01 4.6877e-02 -2.4981e-01 -5.6924e-01 3.0110e-01 -5.7013e-01 1.4313e+00 2.4252e-01 2.9343e-01 5.4154e-01 -6.2061e-02 8.6937e-01 1.1787e+00 -3.6010e-01 1.6996e-01 -1.3473e+00 3.8523e-01 7.5616e-01 6.6548e-01 6.6976e-02 9.0781e-01 1.2905e+00 5.1654e-01 -4.8156e-01 -2.3256e-01 1.1212e+00 1.7980e-01 5.9416e-01 3.9650e-02 3.0446e-01 2.0243e-02 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-3.4334e-01]",{<=Nc1ccc(cc1)Oc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)c3ccc(cc3)Oc4ccc(cc4)N=C5OC(=O)c6cc7c(cc65)C(OC7=O)=>},"[-0.3415 -0.4182 -0.232 -0.2575 -0.1091 0.263 0.1258 -0.1824 0.3088 0.1372 -0.1206 -0.3672 -0.2804 -0.3424 0.8345 0.2186 0.0235 -0.5951 -0.3445 0.2112 -0.1916 0.0158 0.5615 0.0227 -0.0216 0.18 0.1636 -0.2797 -0.3734 0.2262 -0.0428 0.532 -0.1999 0.0707 -0.2633 -0.1186 0.163 -0.0448 -0.7277 -0.0402 -0.1526 0.5367 0.0665 0.179 -0.1406 -0.2044 -0.3703 0.4793 -0.0646 -0.0012 -0.304 0.4253 -0.2108 -0.0932 0.2276 -0.2876 -0.1333 0.2818 0.2642 -0.286 0.3016 0.0282 -0.2317 0.475 -0.4447 0.234 -0.0736 0.0953 0.9071 -0.4987 0.0153 -0.0147 0.0121 -0.2114 -0.0795 0.2572 -0.5796 0.0118 -1.0243 0.0857 0.1864 -0.177 -0.4186 0.1861 0.0837 0.4663 -0.0314 0.7124 -0.2648 0.1615 -0.0703 0.2505 -0.1875 0.2203 0.0764 -0.1192 0.799 0.2935 -0.4713 -0.234 0.097 -0.1886 -0.9567 -0.0028 0.6113 -0.1529 -0.7129 -0.1478 0.4908 -0.1279 0.3088 -0.5938 -0.09 -0.1629 0.2062 0.2002 -0.2969 -0.4535 0.4276 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0.1547]" [*]=Nc1ccc(Oc2ccc(N=C(c3ccccc3)c3ccc(Oc4ccc(-c5ccc(Oc6ccc(C(=[*])c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1,,*Oc1ccc(/N=C(\c2ccccc2)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(/C(=N/c6ccc(*)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1,447.15,GREA,447.15,,1,0.0,black,12,6.0,6,6,2,1.7307692307692308,0.4615384615384615,3.0,3.4615384615384617,6.5,1,12,13,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,45,1,1.0077116897122214,0,5,11,6,0,6,52.41000000000001,0.0,0,14.210588861400147,558.1943427,0,43,6.084981848874403,0.0,0.4186046511627907,0,0,0,0,11,3,0,0,6,0.1555555555555555,7,0.901314782,0,5,13,8,0,8,52.41000000000001,0.0,0,14.210588861400147,710.2569429,0,55,6.263006057722279,0.0,0.3454545454545454,0,0,0,0,13,3,0,0,6,0.1228070175438596,7,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-2.5210e-01 8.7267e-02 -1.3168e+00 7.7693e-01 -2.0033e-01 9.3918e-01 8.2990e-03 -7.8336e-01 -9.2270e-01 1.1793e+00 5.8657e-01 5.8061e-02 5.1123e-01 -1.6287e+00 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1.2856e+00 -1.2404e-01 -2.1008e+00 -4.8719e-01 2.1605e+00 3.2623e-01 8.3371e-02 -1.0361e+00 -2.7134e-03 -6.6636e-01 2.3121e-01 -7.7475e-01 6.6769e-01 -6.3857e-01 -7.1171e-02 3.4895e-01 -6.2174e-01 6.1552e-01 -5.4166e-01 3.8930e-03 6.1990e-01 -2.3835e-01 9.9056e-01 -1.1974e-01 -8.8292e-02 -2.9801e-01 2.9678e-01 -8.2715e-01 1.3370e-01 2.8881e-01 -5.7634e-02 -1.3534e+00 -9.0987e-01 -1.1299e+00 1.2729e+00 -1.4209e+00 1.5484e+00 4.6259e-01 2.4328e-01 4.6278e-02 -1.4321e+00 9.8304e-01 2.2408e-01 3.1921e-01 -7.0283e-01 -8.2892e-01 -5.6556e-01 4.3071e-02 3.6063e-01 -6.1642e-01 2.2067e-01 1.1522e+00 7.8142e-04 8.9893e-01 -3.3947e-02 -1.4272e+00 -5.2213e-01 6.3559e-01 2.0390e+00 -2.5129e-01 4.1637e-01 1.0058e+00 9.8164e-01 -4.6521e-02 6.7184e-01 -4.6188e-01 -2.8048e-01 5.3083e-01 -4.0207e-01]",{<=Nc1ccc(cc1)Oc2ccc(cc2)N=C(c3ccccc3)c3ccc(cc3)Oc4ccc(cc4)c5ccc(cc5)Oc6ccc(cc6)C(c7ccccc7)=>},"[ 2.6837e-01 -1.8238e-01 -2.1608e-01 3.8080e-01 3.7149e-01 5.1460e-01 4.5501e-02 -3.6126e-01 -9.3045e-02 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1.0109e+00 7.1615e-02 2.2991e-01 -3.0179e-01 -9.6833e-03 5.5218e-01 -2.2255e-02 3.1537e-02 1.7752e-02 4.3765e-01 3.1667e-01 3.7709e-01 -7.1341e-01 -3.2598e-01 -3.4735e-01 -1.7768e-01 -3.2317e-02 1.5693e-01 -5.4839e-01 2.6491e-01 9.6261e-01 -9.8277e-02 -2.3371e-01 9.6114e-02 -2.5160e-01 2.7885e-01 -1.3194e-01 -1.3352e-01 1.5718e-01 -3.2964e-01 4.1057e-01 1.0721e-01 4.4715e-02 1.1989e-01 1.9835e-01 6.7132e-01 -2.2763e-01 -6.9494e-01 -1.3015e-01 2.9018e-01 -4.7453e-01 3.0241e-01 4.0079e-02 2.1855e-01 4.7638e-01 -2.8989e-01 -7.7975e-02 -2.2769e-01 -4.4588e-01 -3.5081e-01 -8.0630e-01 3.7344e-01 2.6097e-01 -4.5848e-01 -1.1018e-01 -1.2616e-01 4.0294e-01 -5.6439e-01 3.2127e-01 -3.5772e-01 -1.8958e-01 -1.9122e-02 2.0007e-01 3.2720e-01 -1.7962e-01 1.2670e-01 7.0183e-01 7.0150e-01 1.3327e-01 7.9773e-02 -2.1893e-01 -4.8991e-01 -3.3857e-01 4.3636e-01]" [*]=Nc1ccc(Oc2ccc(N=C(c3ccccc3)c3ccc(Oc4ccc(Oc5ccc(C(=[*])c6ccccc6)cc5)cc4)cc3)cc2)cc1,,*Oc1ccc(Oc2ccc(/C(=N/c3ccc(Oc4ccc(/N=C(\c5ccccc5)c5ccc(*)cc5)cc4)cc3)c3ccccc3)cc2)cc1,435.15,GREA,435.15,,1,0.0,black,12,6.0,6,6,2,1.7307692307692308,0.4615384615384615,3.0,3.4615384615384617,6.5,1,12,13,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,39,1,1.133380909113301,0,5,10,5,0,5,52.41000000000001,0.0,0,14.210588861400147,482.1630426,0,37,5.993218469,0.0,0.4594594594594595,0,0,0,0,10,3,0,0,6,0.1794871794871795,7,1.0070490800270135,0,5,12,7,0,7,52.41000000000001,0.0,0,14.210588861400147,634.2256428,0,49,6.1940153021476885,0.0,0.3673469387755102,0,0,0,0,12,3,0,0,6,0.1372549019607843,7,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-9.4147e-02 2.9903e-02 -1.5636e+00 6.7978e-01 2.2568e-01 8.8170e-01 3.2069e-01 -5.7797e-01 -8.2957e-01 7.4770e-01 4.6434e-01 2.5609e-01 5.7077e-01 -1.4991e+00 2.4883e-01 -2.9719e-01 8.0672e-01 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[*]=Nc1ccc(Oc2cccc(N=C3OC(=O)c4ccc(C(=O)c5ccc6c(c5)C(=[*])OC6=O)cc43)c2)cc1,,*C(=O)c1ccc2c(c1)/C(=N\c1ccc(Oc3cccc(/N=C4/OC(=O)c5ccc(*)cc54)c3)cc1)OC2=O,526.15,GREA,526.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,39,1,1.2916858964983071,0,8,6,6,2,4,103.62,0.3333333333333333,2,4.736862953800049,486.0851862,0,37,13.340094011004217,0.0,0.7297297297297297,0,0,0,0,14,6,0,2,6,0.2564102564102564,10,1.2916858964983071,0,8,6,6,2,4,103.62,0.3333333333333333,2,4.736862953800049,486.0851862,0,37,13.340094011004217,0.0,0.7297297297297297,0,0,0,0,14,6,0,2,6,0.2564102564102564,10,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters, Polyimines, Polyketones/thioketones","[-6.6034e-01 -6.4022e-01 -1.8240e+00 3.4290e-01 -5.9025e-01 -3.6627e-01 3.1832e-01 -3.5456e-01 -2.6140e-01 5.0447e-01 3.4217e-01 6.2735e-01 1.5919e-01 -6.4922e-01 6.4161e-01 -3.7153e-01 1.8016e-01 -1.1024e+00 -1.1107e+00 7.4055e-01 -5.7435e-01 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[*]=Nc1cccc(Oc2cccc(Oc3cccc(N=C4OC(=O)c5ccc(C(=O)c6ccc7c(c6)C(=[*])OC7=O)cc54)c3)c2)c1,,*C(=O)c1ccc2c(c1)/C(=N\c1cccc(Oc3cccc(Oc4cccc(/N=C5/OC(=O)c6ccc(*)cc65)c4)c3)c1)OC2=O,463.15,GREA,463.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,46,1,1.1207951755411418,0,9,8,7,2,5,112.85,0.2857142857142857,2,9.473725907600098,578.1114009159999,0,44,13.446741681171224,0.0,0.6136363636363636,0,0,0,0,16,6,0,2,6,0.2391304347826087,11,1.1207951755411418,0,9,8,7,2,5,112.85,0.2857142857142857,2,9.473725907600098,578.1114009159999,0,44,13.446741681171224,0.0,0.6136363636363636,0,0,0,0,16,6,0,2,6,0.2391304347826087,11,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters, Polyimines, Polyketones/thioketones","[-0.3622 -0.6587 -1.8637 0.3562 -0.7295 -0.7222 0.3236 -0.3775 -0.4976 1.0582 0.0283 0.2199 0.137 -0.6838 0.5343 -0.5366 0.1789 -0.8023 -1.2972 0.3608 -0.6328 -0.9939 1.4815 0.1137 0.5009 0.5847 0.4168 -0.1315 -0.0997 -0.87 0.2467 0.6022 0.7321 -0.3794 -1.3592 -0.2952 1.5897 -0.4115 -0.8373 0.121 0.876 0.7073 -0.31 -0.3342 0.9019 -0.0554 -0.2834 -0.1821 0.2279 0.8012 -0.3732 -1.3061 0.0094 0.2442 0.7311 -2.2233 0.2061 -0.4147 -0.9976 0.4713 -0.3168 0.8765 -1.2734 1.2077 -0.4341 -1.042 0.8311 0.0024 -0.4324 -0.5417 -0.73 -0.6901 1.1189 2.2137 1.4504 0.8201 -0.1644 -0.1746 -2.1613 -0.5916 0.4276 -0.34 -0.1219 1.0989 -0.1124 1.1858 -0.1233 1.3529 0.1007 0.2176 0.429 0.5073 -0.0452 -0.0152 -0.9294 0.3498 0.0688 0.9047 0.1967 -0.2556 0.7706 -0.2195 -1.1505 0.0603 0.7581 -1.2703 -1.6578 0.5288 0.377 0.1274 0.2734 0.4778 0.8423 -0.0091 0.7531 0.2186 -0.2802 -0.7969 -0.5575 0.313 -0.6255 -0.5567 0.9121 0.0576 0.3164 1.1012 0.0969 -0.5109 0.9091 0.5671 0.9347 -0.6698 -0.4334 0.2342 -1.0509 1.1604 -0.3607 -1.3436 0.3082 0.8442 -0.2608 -1.5175 -0.1885 -0.3399 0.1222 -1.22 -0.8182 0.4066 -0.377 0.8845 -0.2021 0.4828 0.0527 0.6673 0.7684 0.8884 0.0778 -0.0985 -1.8034 -0.0059 0.7524 0.9012 -0.1594 0.3781 1.5935 0.7171 0.3563 0.2104 0.2863 -0.6021 0.3294 -0.2164 0.0096 -1.0789 0.0814 0.38 -0.8397 1.2412 -0.2214 0.4574 -1.2595 -0.1114 1.5538 0.0788 0.0401 0.8352 -0.5814 0.475 0.2686 -0.7158 0.3791 1.1463 0.375 -0.5974 -0.3818 -0.8879 -0.5069 0.9493 -0.4626 -0.2485 0.0361 0.3691 0.0506 -0.2817 1.3091 -0.5888 -0.4376 -0.3189 -0.0073 0.432 0.1149 0.1553 0.4877 0.5527 -0.0322 -0.6169 -0.8124 -0.0472 -0.6208 -0.7105 -1.4444 1.2365 -0.341 1.2835 0.1963 0.679 0.1447 -0.7069 0.5185 -0.3009 -0.5636 -1.2261 0.2417 -1.3736 0.2002 -0.0365 -1.0765 0.9352 -0.2392 -0.6063 0.537 -0.4184 -0.4366 -1.2428 0.1381 1.3829 0.4102 -0.0671 -0.3006 0.5967 -0.6822 0.9258 -0.2622 -0.3467 -0.0732 0.134 ]",{<=Nc1cccc(c1)Oc2cccc(c2)Oc3cccc(c3)N=C4OC(=O)c5ccc(cc54)C(=O)c6ccc7c(c6)C(OC7=O)=>},"[ 2.2977e-01 -8.1656e-01 -2.8395e-01 -7.3930e-02 -1.3501e-01 -3.9667e-01 2.2365e-01 -4.5473e-01 2.5610e-01 7.2196e-01 -1.8663e-01 -1.0585e-02 -1.9817e-01 1.0865e-01 7.6860e-01 3.5454e-01 -7.5772e-02 -4.3320e-01 -6.7946e-01 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-1.9721e-01 -9.5496e-01 9.7753e-02 1.2937e-01 -1.0028e-01 1.7223e-01 -8.5258e-02 3.3263e-01 -3.8854e-03 4.9262e-01 -2.7351e-01 -2.8877e-01 -1.2763e-01 2.2825e-02 2.5607e-01 2.1656e-01 -7.4594e-01 5.1377e-01 -1.0023e-01 4.4005e-01 1.9467e-01 2.1394e-01 -3.8888e-01 4.9824e-01 7.0542e-02 2.4043e-01 -2.1205e-01 -9.0033e-02 4.1184e-01 -1.8708e-01 4.5043e-01 3.0913e-01 -3.0868e-01 2.1103e-01 -3.8615e-02 -3.1740e-01 -4.5906e-01 1.1594e-01 -6.5158e-02 3.7454e-01 -4.2154e-01 6.1291e-02 -2.6370e-01 3.9536e-02 3.9163e-01 8.0725e-02 4.5197e-01 -2.3392e-01 4.7054e-01 2.0446e-01 4.4780e-01 -4.4986e-01 3.1440e-02 -5.0221e-02 4.2266e-01 1.5124e-01 1.0575e-01 8.6258e-02 4.3487e-02 1.5554e-01 7.1489e-01 3.8446e-01 2.2331e-01 3.7543e-01 4.5361e-03 5.3913e-01 3.3262e-01 3.8468e-01 -3.8535e-01 1.0879e-01 -3.0575e-01 3.5235e-02 5.6505e-01 -3.0204e-01 1.2076e-01 1.2584e-01 1.2915e-01 1.0570e+00 9.2269e-03 6.5784e-02 2.9629e-02 1.0573e-01 1.9795e-01 2.6040e-01 8.8974e-02 3.4811e-01 4.8494e-01 6.7689e-02 6.1272e-02 -3.3289e-01 -6.0519e-01 -2.5135e-01 3.5053e-01 -8.8179e-02 5.1583e-02 -2.2538e-01 -1.2654e-01 3.2692e-01 7.5607e-02 3.4034e-01 -1.4551e-01 -5.4744e-01 7.3275e-02 -9.2049e-02 5.6312e-03 3.2175e-01 -1.1625e-01 3.7850e-01 -1.5490e-01 2.1143e-01 -8.0284e-02 -7.7502e-02 2.2212e-01 3.3324e-02 -2.7530e-01 -7.2846e-01 5.7084e-01 2.7232e-01 4.2390e-01 4.7459e-03 4.4183e-01 2.1397e-01 -8.3767e-02 -9.0295e-02 -1.2460e-01 -8.1908e-01 -4.5157e-01 -6.3818e-02 -2.5866e-01 6.4904e-02 -2.8000e-01 -4.2279e-01 -4.2177e-02 -1.3334e-01 -5.8741e-01 1.4546e-01 -2.9833e-01 -1.4261e-01 -2.9699e-01 8.5435e-02 1.0770e-01 1.6860e-01 9.4947e-02 -9.4945e-02 -8.5069e-03 -4.1379e-01 1.8821e-01 -5.1609e-02 -3.8664e-01 -1.3880e-01 7.2396e-01]" [*]=Nc1cccc(S(=O)(=O)c2cccc(/N=C3/OC(=O)c4ccc(Oc5ccc6c(c5)C(=O)OC6=[*])cc43)c2)c1,,*=Nc1cccc(S(=O)(=O)c2cccc(/N=C3/OC(=O)c4ccc(Oc5ccc6c(c5)C(=O)OC6=*)cc43)c2)c1,463.15,GREA,463.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,40,1,1.3169095504314454,0,9,6,6,2,4,120.69,0.3333333333333333,2,4.736862953800049,522.0521717879999,1,37,13.270599025124064,9.790966951,0.7105263157894737,0,0,0,0,14,7,0,2,6,0.3,12,1.3169095504314454,0,9,6,6,2,4,120.69,0.3333333333333333,2,4.736862953800049,522.0521717879999,1,37,13.270599025124064,9.790966951,0.7105263157894737,0,0,0,0,14,7,0,2,6,0.3,12,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters, Polyimines, Polysulfones/sulfoxides/sufonates/sulfoamides","[-0.7288 -0.8729 -2.2809 0.0744 -0.7003 -1.033 0.5603 0.1402 -0.0608 0.9532 0.6238 0.1982 0.5212 0.2033 0.494 -0.335 1.0939 -1.2417 -1.5569 0.6932 -0.9457 -0.6423 2.2148 -0.0309 0.3402 0.3453 0.7824 0.5325 0.3275 -0.5544 0.305 0.2871 0.5683 -0.4883 -1.1847 -0.5525 1.6537 -0.864 -0.7702 0.357 0.6851 0.976 -0.484 -0.306 0.9634 -0.0625 -0.1272 -0.2152 0.2685 0.3098 -0.102 -0.8017 -0.285 0.4719 0.5681 -2.0282 0.8987 -0.3484 -0.8453 0.7691 0.0585 0.1689 -1.0308 1.1019 -0.3226 -1.0678 0.7253 0.7551 0.47 -0.4734 -0.5799 -1.0925 0.8714 1.9782 1.3207 0.7217 -0.0965 -0.3707 -1.8505 -0.0454 0.1419 -0.2468 -0.1388 1.7323 -0.2686 1.0892 -0.3769 1.0811 -0.485 0.2197 0.4696 -0.1413 0.5052 -0.8294 -0.5217 0.0259 0.2783 0.5587 0.0995 -0.392 0.7235 0.0694 -0.7877 -0.2621 0.9052 -1.1191 -0.8604 0.733 0.4223 -0.1893 0.2393 0.8197 0.9099 0.3422 0.9827 1.1053 0.0565 -0.8947 -0.7241 0.3126 -1.2344 -0.1689 1.0619 -0.4687 0.4087 0.8001 0.0757 -0.4942 -0.3089 0.0417 0.8085 -1.1652 -0.7437 0.8257 -0.8631 0.4915 -0.6052 -0.7288 0.3786 1.4821 -0.066 -1.406 -0.5523 -0.3804 -0.4831 -1.3439 -0.0665 0.7446 -0.8529 0.5955 -0.2887 0.2633 -0.2477 -0.0411 0.6785 0.1943 0.1029 0.7367 -1.6658 -0.3122 0.2599 0.4825 -0.6067 0.2862 1.2877 0.8584 0.3069 0.5697 1.065 -0.1556 0.1551 0.3443 -0.6197 -1.8526 0.1933 0.0091 -0.3933 0.9654 -0.5672 0.8508 -1.0814 -0.0579 0.8711 -0.502 0.2729 0.7488 -0.1586 -0.3974 0.2667 -0.7888 0.5663 1.2612 0.0104 -1.2893 -0.4185 -0.6871 -0.2082 1.2813 -0.2155 -1.309 -0.1006 0.4626 -0.1893 -0.2769 0.7379 -0.302 -0.7387 -0.5928 -0.1354 -0.3955 0.1354 -0.4587 0.1817 1.7275 0.0296 -0.7816 -0.2884 -0.0827 -1.0042 -0.652 -1.4786 1.1661 -0.3325 1.5382 0.2779 0.4287 0.358 -0.6002 0.0721 -0.3331 -0.4461 -1.0986 0.9261 -1.4117 0.2506 -0.3984 -0.8253 1.6266 -0.5851 -0.3586 0.5378 -0.2795 -0.6916 -0.9639 0.1706 1.3768 0.3361 0.0307 -1.1044 -0.023 -0.5782 1.0265 -0.411 -0.0899 -0.0751 -0.5613]",{<=Nc1cccc(c1)S(=O)(=O)c2cccc(c2)/N=C3/OC(=O)c4ccc(cc43)Oc5ccc6c(c5)C(=O)OC6=>},"[-0.3079 -0.8068 -0.5503 -0.2249 -0.3986 -0.3095 0.4922 0.2816 0.1182 0.5044 0.1848 0.1564 -0.0064 0.0189 0.9173 0.415 0.3325 -0.6774 -1.1667 0.7859 -0.3224 -0.0396 0.5625 0.0683 0.08 0.4121 0.4021 0.1743 0.0672 -0.3256 -0.2152 0.3993 0.0369 -0.2185 -0.5958 0.1666 0.5789 -0.4366 -1.0237 0.4705 -0.0293 0.1572 -0.0154 -0.3927 0.2479 -0.3592 -0.3834 0.3352 0.3039 -0.3122 -0.2292 -0.0489 -0.094 0.1323 -0.3766 -0.8684 0.1095 -0.1514 -0.2811 -0.133 0.1873 -0.0425 -0.0435 0.1578 -0.1042 -0.1015 0.3613 0.0513 0.436 0.0108 0.1114 -0.0738 -0.3145 0.2408 0.3734 0.3167 -0.1159 -0.1732 -1.0639 -0.5633 0.26 -0.1358 0.2146 0.7708 -0.0238 0.1487 -0.5078 0.9594 -0.0262 0.0624 0.7402 -0.1461 0.3268 -0.087 -0.1429 -0.039 0.2765 0.3548 -0.2663 -0.029 0.1989 -0.0433 -0.7611 -0.2437 0.1111 -0.2837 -0.5059 -0.1992 0.2476 0.3812 0.1115 0.2545 -0.0108 0.0327 0.6545 0.3107 -0.561 -0.1652 -0.0499 0.2444 -0.1288 -0.4164 0.6218 -0.11 -0.052 0.3639 0.1686 -0.2062 0.2993 -0.1652 0.1895 -0.1911 0.2556 0.6103 -0.3912 0.0267 0.1543 -0.2194 0.3715 0.2074 -0.5551 -0.5456 -0.0214 -0.193 0.1767 -0.4865 -0.1424 -0.3035 -0.1576 0.5267 0.0143 0.5201 -0.0602 0.486 0.2945 0.5233 -0.2759 0.0466 -0.5876 0.2806 0.6925 -0.3227 -0.1044 -0.0219 -0.1431 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[*]C(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cc([*])cc(CCCCC)c3)cc2)cc1,,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cc(CCCCC)cc(C(*)=O)c3)cc2)cc1,443.15,GREA,443.15,,1,0.0,black,5,5.0,5,5,1,1.25,1.25,1.25,1.25,3.0,3,3,3,1,2.190609687,0,0,2,0,0,0,0.0,0.0,0,0.0,72.09390038,5,0,2.211805555555556,33.10993926815928,1.0,0,0,0,0,4,0,0,0,0,0.0,0,29,1,1.7612315157379368,0,6,5,3,0,3,86.74000000000001,0.0,0,15.540092976061707,380.0354591,1,26,12.763544657736574,9.790966951,0.8148148148148148,0,0,0,0,9,4,0,0,6,0.3103448275862069,9,1.7171936739134637,0,6,9,3,0,3,86.74000000000001,0.0,0,15.540092976061707,450.1137094,6,26,12.909075220750124,42.397990642430216,0.875,0,0,0,0,14,4,0,0,6,0.2647058823529412,9,Polyesters,"Polyesters/thioesters, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.4163e+00 -5.6428e-02 -1.1641e+00 6.3351e-01 -6.0970e-01 8.1164e-01 2.3187e-01 -5.7142e-01 -2.6596e-01 1.1428e-01 1.3384e+00 7.3956e-01 2.3420e-02 -9.3766e-01 1.0861e-02 6.5997e-01 1.5936e+00 -1.0601e-01 -3.2535e-01 6.5571e-01 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[*]C(=O)c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc([*])cc4C3=O)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C2=O,,O=C(C1=CC=C([*])C=C12)N(C3=CC=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F)C(N4C(C5=CC(C([*])=O)=CC=C5C4=O)=O)=C3)C2=O,467.15,Qiu,467.15,,1,0.0,black,33,33.0,33,33,1,3.6666666666666665,3.6666666666666665,3.6666666666666665,3.6666666666666665,8.0,8,8,8,1,7.026446028,1,1,9,0,0,0,20.23,0.0,0,0.0,549.9848573,33,0,13.247908163265304,59.479061030294666,0.303030303,21,21,0,0,32,0,0,0,0,0.6666666666666666,22,32,1,1.535973069667936,0,5,3,5,2,3,91.83,0.4,2,15.866186530162564,394.0589714,0,30,13.033339526301283,0.0,0.6666666666666666,0,0,0,0,13,5,0,2,6,0.28125,9,1.5651392175521075,0,6,14,5,2,3,101.06,0.4,2,20.60304948396261,942.0281787,32,31,15.03863327410414,59.479061030294666,0.492063492,21,21,0,0,46,5,0,2,6,0.4769230769230769,31,Other class,Other class,"[-0.4147 -0.9034 0.1203 -0.0773 0.7046 -0.3119 0.0341 -0.0891 -1.3632 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[*]C(=O)c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc([*])cc4C3=O)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C2=O,,O=C(C1=CC=C([*])C=C12)N(C3=CC=C(OCC(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)F)C(N4C(C5=CC(C([*])=O)=CC=C5C4=O)=O)=C3)C2=O,496.15,Qiu,496.15,,1,0.0,black,24,24.0,24,24,1,2.6666666666666665,2.6666666666666665,2.6666666666666665,2.6666666666666665,8.0,8,8,8,1,6.416916932209112,1,1,6,0,0,0,20.23,0.0,0,0.0,399.99443801600006,24,0,12.804305555555556,41.71147352601093,0.4166666666666667,15,15,0,0,23,0,0,0,0,0.6666666666666666,16,32,1,1.535973069667936,0,5,3,5,2,3,91.83,0.4,2,15.866186530162564,394.0589714,0,30,13.033339526301283,0.0,0.6666666666666666,0,0,0,0,13,5,0,2,6,0.28125,9,1.5769651014261743,0,6,11,5,2,3,101.06,0.4,2,20.60304948396261,792.0377594,23,31,14.832014816803865,41.71147352601093,0.5740740740740741,15,15,0,0,37,5,0,2,6,0.4464285714285714,25,Other class,Other class,"[-0.1692 -0.897 -0.051 -0.0169 0.0135 0.0121 0.0918 -0.1091 -1.4863 -0.828 -0.0227 -0.857 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[*]C(=O)c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc([*])cc4C3=O)ccc1OCC(F)(F)C(F)(F)C(F)(F)F)C2=O,,O=C(C1=CC=C([*])C=C12)N(C3=CC=C(OCC(F)(C(F)(C(F)(F)F)F)F)C(N4C(C5=CC(C([*])=O)=CC=C5C4=O)=O)=C3)C2=O,535.15,Qiu,535.15,,1,0.0,black,12,12.0,12,12,1,1.3333333333333333,1.3333333333333333,1.3333333333333333,1.3333333333333333,8.0,8,8,8,1,4.847021821216797,1,1,2,0,0,0,20.23,0.0,0,0.0,200.0072123,12,0,11.70659722222222,18.02135685363263,0.8333333333333334,7,7,0,0,11,0,0,0,0,0.6666666666666666,8,32,1,1.535973069667936,0,5,3,5,2,3,91.83,0.4,2,15.866186530162564,394.0589714,0,30,13.033339526301283,0.0,0.6666666666666666,0,0,0,0,13,5,0,2,6,0.28125,9,1.6023475818487356,0,6,7,5,2,3,101.06,0.4,2,20.60304948396261,592.0505336,11,31,14.131290964763048,18.02135685363263,0.7380952380952381,7,7,0,0,25,5,0,2,6,0.3863636363636363,17,Other class,Other class,"[ 0.2087 -1.2094 -0.4627 0.043 -0.029 -0.6296 0.5004 0.0301 -1.6232 -0.9823 0.4627 -0.2692 -0.4183 -0.2449 -0.0029 -1.3363 -1.0968 -1.041 -1.5745 0.6437 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[*]C(=O)c1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc([*])cc7)cc6C5=O)cc4)cc2)C3=O)c1,,O=C(N1C2=CC=C(OC3=CC=C(N4C(C5=CC=C(OC6=CC=C(C(C7=CC=CC(O[*])=C7)=O)C=C6)C=C5C4=O)=O)C=C3)C=C2)C8=CC([*])=CC=C8C1=O,483.15,Qiu,483.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,53,1,0.9272778233811616,0,8,9,8,2,6,119.52,0.25,2,30.07677539156272,670.1376157,0,51,13.417692066716167,0.0,0.4509803921568627,0,0,0,0,19,5,0,2,6,0.2264150943396226,12,0.9272778233811616,0,8,9,8,2,6,119.52,0.25,2,30.07677539156272,670.1376157,0,51,13.417692066716167,0.0,0.4509803921568627,0,0,0,0,19,5,0,2,6,0.2264150943396226,12,Other class,Other class,"[-0.2745 -0.4837 -1.2993 0.0634 -1.0581 -0.9065 0.3092 -0.3344 -0.644 0.7554 0.9475 -0.4799 -0.9078 -0.6304 0.314 -0.2064 0.0205 -0.1723 -0.289 0.2391 -0.6531 -0.4753 1.2251 1.12 0.4057 0.5035 -0.2171 0.4551 -1.4784 -0.5202 -0.3757 0.1574 1.2433 -0.4238 -1.4636 -0.2926 0.4019 -0.3463 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[*]C(=O)c1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(Oc6ccc([*])cc6)cc5C4=O)c2)C3=O)c1,,O=C(N1C2=CC=CC(N3C(C4=CC=C(OC5=CC=C(C(C6=CC=CC(O[*])=C6)=O)C=C5)C=C4C3=O)=O)=C2)C7=CC([*])=CC=C7C1=O,512.15,Qiu,512.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,46,1,1.1348244267047938,0,7,7,7,2,5,110.29000000000002,0.2857142857142857,2,25.339912437762663,578.1114009,0,44,13.55680679076124,0.0,0.5227272727272727,0,0,0,0,17,5,0,2,6,0.2391304347826087,11,1.1348244267047938,0,7,7,7,2,5,110.29000000000002,0.2857142857142857,2,25.339912437762663,578.1114009,0,44,13.55680679076124,0.0,0.5227272727272727,0,0,0,0,17,5,0,2,6,0.2391304347826087,11,Other class,Other class,"[ 0.4536 -0.7523 -1.2908 0.2667 -1.2069 -1.3195 0.4716 -0.3512 -0.3594 0.7844 0.7751 -0.404 -1.219 -0.2846 0.059 -0.3476 -0.4445 -0.4028 -1.2672 -0.219 -0.707 -0.5884 1.2612 1.2054 1.3085 0.6137 -0.1489 0.4211 -0.7589 -1.2518 -0.1284 -0.1824 0.7595 -0.4193 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[*]C=CC1CC([*])CC1(C#N)[Si](C)(C)O[Si](C)(C)C,,*/C=C/C1CC(*)C(C#N)([Si](C)(C)O[Si](C)(C)C)C1,361.15,GREA,361.15,,1,0.0,black,10,5.0,8,2,2,1.25,0.5,2.0,2.5,3.0,3,3,6,2,6.388924101358251,0,2,2,0,0,0,33.02,0.0,0,0.0,175.0848672,8,0,12.21527777777778,32.735056768405435,2.625,0,0,0,0,7,0,1,0,0,0.875,4,9,1,2.3001815631471376,0,0,1,1,1,0,0.0,0.0,0,0.0,94.07825032,5,2,2.5018055555555554,25.68328649170404,1.7142857142857142,0,0,0,0,8,1,0,0,5,0.2222222222222222,2,3.185327043085593,0,2,4,1,1,0,33.02,0.0,0,0.0,265.1318174,13,2,9.998273652053417,57.03578626,1.4705882352941178,0,0,0,0,17,1,1,0,5,0.3157894736842105,6,Polyvinyls,Polyvinyls,"[-1.5397e-01 -6.6484e-01 3.9025e-01 -4.3518e-01 5.3074e-01 5.7404e-01 -2.1396e-01 -5.1270e-01 -1.7643e-01 -5.9570e-01 5.8450e-01 -1.1331e+00 1.6483e-01 -1.6050e-01 7.0966e-01 -4.6753e-01 -1.9938e-02 2.7802e-01 -6.8620e-01 -1.0979e-01 7.9735e-01 -4.3629e-01 -6.1432e-01 3.0422e-01 -9.5644e-01 2.7112e-01 4.7709e-01 -1.1068e+00 5.3728e-01 1.3970e+00 1.1215e-01 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[*]C=CC1CC([*])CC1(C#N)[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,,*/C=C/C1CC(*)C(C#N)([Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)C1,320.15,GREA,320.15,,1,0.0,black,14,7.0,12,2,2,1.75,0.5,3.0,3.5,3.0,3,3,6,2,7.0410212903773095,0,3,4,0,0,0,42.25,0.0,0,0.0,249.1036586,12,0,12.52625,45.82907947576761,2.4166666666666665,0,0,0,0,11,0,1,0,0,0.9166666666666669,6,9,1,2.3001815631471376,0,0,1,1,1,0,0.0,0.0,0,0.0,94.07825032,5,2,2.5018055555555554,25.68328649170404,1.7142857142857142,0,0,0,0,8,1,0,0,5,0.2222222222222222,2,3.147077241,0,3,6,1,1,0,42.25,0.0,0,0.0,339.1506088,17,2,10.19870886085916,70.12980896793287,1.238095238095238,0,0,0,0,21,1,1,0,5,0.3478260869565217,8,Polyvinyls,Polyvinyls,"[-1.8306e-01 -3.4592e-01 6.6189e-01 -5.1741e-01 5.6472e-01 1.3459e-01 1.4440e-01 -3.3552e-01 -1.9040e-01 -8.6415e-01 7.1558e-01 -1.1869e+00 3.5103e-01 -2.9657e-01 3.1137e-01 -7.4387e-01 1.5833e-01 2.4799e-01 -4.4137e-01 -2.7793e-01 7.8443e-01 -7.4361e-01 -5.9056e-01 2.8301e-01 -1.0202e+00 2.0769e-01 4.6361e-01 -1.1568e+00 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[*]C=Cc1cccc(/C=C/[Si](C)(CCC(F)(F)F)c2ccc([Si]([*])(C)CCC(F)(F)F)cc2)c1,,*/C=C/c1cccc(/C=C/[Si](C)(CCC(F)(F)F)c2ccc([Si](*)(C)CCC(F)(F)F)cc2)c1,307.65,GREA,307.65,,1,0.0,black,12,6.0,6,6,2,1.9285714285714288,0.8571428571428571,3.0,3.857142857142857,3.5,1,6,7,1,6.336979745341138,0,0,0,0,0,0,0.0,0.0,0,0.0,196.0686696,12,0,21.569444444444443,39.041714680120215,2.6666666666666665,6,6,0,0,10,0,0,0,0,1.0,6,22,1,2.099774466,0,0,5,2,0,2,0.0,0.0,0,10.373451291374916,292.1103537,4,16,2.497998866213152,13.094022707362171,0.95,0,0,0,0,9,2,0,0,6,0.1818181818181818,4,2.3471961696342696,0,0,9,2,0,2,0.0,0.0,0,10.373451291374916,484.1477232,16,16,13.122482394074622,50.37645454193409,0.8125,6,6,0,0,21,2,0,0,6,0.2941176470588235,10,Polysiloxanes,Polysiloxanes/silanes,"[-5.6450e-01 -4.5542e-01 7.5551e-01 7.9703e-01 1.1328e+00 1.4696e+00 -5.4777e-02 4.2522e-03 -5.4466e-01 2.5007e-01 -2.1896e-01 -2.7324e-01 7.5022e-01 5.3943e-01 -2.6656e-01 -7.8890e-01 -1.4254e-01 -4.5248e-01 -3.1379e-01 3.1791e-01 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[*]C=Cc1cccc(/C=C/[Si](C)(CCC(F)(F)F)c2cccc([Si]([*])(C)CCC(F)(F)F)c2)c1,,*/C=C/c1cccc(/C=C/[Si](C)(CCC(F)(F)F)c2cccc([Si](*)(C)CCC(F)(F)F)c2)c1,282.65,GREA,282.65,,1,0.0,black,12,6.0,6,6,2,2.0,1.0,3.0,4.0,3.0,1,5,6,1,6.336979745341138,0,0,0,0,0,0,0.0,0.0,0,0.0,196.0686696,12,0,21.569444444444443,39.041714680120215,2.6666666666666665,6,6,0,0,10,0,0,0,0,1.0,6,22,1,2.1533986659506588,0,0,5,2,0,2,0.0,0.0,0,10.373451291374916,292.1103537,4,16,2.523503660340781,13.094022707362171,0.95,0,0,0,0,9,2,0,0,6,0.1818181818181818,4,2.4335317053561965,0,0,9,2,0,2,0.0,0.0,0,10.373451291374916,484.1477232,16,16,13.190069255590515,50.37645454193409,0.8125,6,6,0,0,21,2,0,0,6,0.2941176470588235,10,Polysiloxanes,Polysiloxanes/silanes,"[ 0.0757 -0.8 0.7006 1.0971 1.046 1.2499 0.1811 -0.2061 -0.3609 0.4312 -0.5759 -0.5188 0.754 0.8275 -0.1324 -0.3275 -0.029 -0.5407 -0.5518 -0.0254 0.4539 -0.7314 -0.3281 0.1731 -0.0903 1.3341 1.223 -0.3321 0.2051 0.5807 -0.2647 0.1125 1.0663 -0.1169 -1.4368 0.5713 0.8967 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[*]C=Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(NC([*])=O)c4)cc3C2=O)c1,,*C(=O)Nc1cccc(NC(=O)/C=C/c2cccc(N3C(=O)c4ccc(*)cc4C3=O)c2)c1,530.65,GREA,530.65,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,33,1,1.5846758742022065,2,4,5,4,1,3,95.58,0.25,1,15.533486938863138,409.106256,0,31,13.09068217941116,0.0,0.8709677419354839,0,0,0,0,13,5,0,1,6,0.2727272727272727,9,1.5846758742022065,2,4,5,4,1,3,95.58,0.25,1,15.533486938863138,409.106256,0,31,13.09068217941116,0.0,0.8709677419354839,0,0,0,0,13,5,0,1,6,0.2727272727272727,9,Polyimides,"Polyimides/thioimides, Polyamides/thioamides","[ 1.2369e-01 -1.2164e+00 -6.5385e-01 -1.6548e-01 -1.3598e+00 -1.3086e+00 4.6696e-01 -1.2858e+00 -3.5567e-01 -5.8628e-01 1.2369e+00 7.4276e-01 -4.9141e-01 -5.7312e-01 4.3464e-01 -7.2887e-02 -5.3493e-01 -3.0291e-03 -1.1611e+00 -2.3493e-01 2.8254e-01 -1.7621e-01 2.1558e-01 7.0336e-01 -6.0002e-02 6.9460e-01 1.1750e+00 9.8453e-01 6.1012e-01 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[*]CC([*])(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,,*CC(*)(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,345.5,GREA,345.5,,1,0.0,black,22,22.0,22,22,1,11.0,11.0,11.0,11.0,1.0,1,1,1,1,5.334385963468591,0,5,11,0,0,0,53.99000000000001,0.0,0,0.0,382.1483303,19,3,10.331703068573104,71.38801958297226,0.7272727272727273,0,0,0,0,20,1,0,0,0,0.4090909090909091,9,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,5.294669345664154,0,5,12,0,0,0,53.99000000000001,0.0,0,0.0,422.1796304,22,3,12.325175290795327,91.15340003,0.92,0,0,0,0,25,1,0,0,0,0.4074074074074074,11,Polyacrylics,"Polyacrylics, Polyvinyls","[ 1.2153e-01 2.8374e-01 1.1904e+00 -8.0923e-01 -4.3211e-01 -3.1503e-01 5.7929e-01 -1.4456e-01 5.3313e-01 -4.6447e-01 -3.0080e-01 -1.3531e+00 4.4228e-02 1.0359e-01 -3.4593e-01 -3.1458e-01 3.6059e-03 9.4842e-02 -3.9252e-01 -3.6755e-01 7.2224e-01 -5.4791e-01 -1.0178e+00 6.2734e-01 -7.6228e-01 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[*]CC([*])(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,*CC(*)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,279.15,GREA,279.15,,1,0.0,black,18,18.0,18,18,1,9.0,9.0,9.0,9.0,1.0,1,1,1,1,5.160606674291696,0,2,6,0,0,0,26.3,0.0,0,0.0,292.01458338000003,15,3,12.624922052154195,30.36470764465321,0.8333333333333334,9,9,0,0,16,1,0,0,0,0.6111111111111112,11,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,46.02187832,3,0,11.604166666666668,13.598328171965532,3.0,1,1,0,0,4,0,0,0,0,0.6,3,5.044532028220005,0,2,7,0,0,0,26.3,0.0,0,0.0,336.0208116,18,3,13.50706644463341,43.460120239854135,0.9523809523809524,10,10,0,0,21,1,0,0,0,0.6086956521739131,14,Polyacrylics,Polyacrylics,"[-0.5115 -0.4878 0.7371 0.2946 0.8224 -0.4795 0.4167 -0.4838 -0.619 -0.3667 0.098 0.0352 -0.7414 -0.144 -1.0052 -2.0774 -0.2123 -0.8319 -1.1368 -0.6484 -0.8621 -0.5446 -0.1995 -1.0249 0.5546 -1.081 -1.2772 -0.0789 0.071 -1.6032 -0.2471 -0.5727 1.1438 0.098 -0.6068 -0.1751 1.8361 -0.5987 -0.4181 -0.2595 1.1797 0.5859 -0.261 0.3869 -1.1612 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[*]CC([*])(F)C(C)=O,,*CC(*)(F)C(C)=O,415.15,GREA,415.15,,1,0.0,black,3,3.0,3,3,1,1.5,1.5,1.5,1.5,1.0,1,1,1,1,2.1874960973678963,0,1,0,0,0,0,17.07,0.0,0,0.0,44.02621475,1,2,8.805555555555555,6.923737199690624,2.0,0,0,0,0,1,1,0,0,0,0.3333333333333333,1,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,46.02187832,3,0,11.604166666666668,13.598328171965532,3.0,1,1,0,0,4,0,0,0,0,0.6,3,3.9084966379068447,0,1,2,0,0,0,17.07,0.0,0,0.0,88.032443,4,2,12.766203703703704,20.01914979489154,2.5,1,1,0,0,6,1,0,0,0,0.5,4,Polyhalo-olefins,Polyhalo-olefins,"[ 3.0838e-01 -6.2606e-01 -7.4116e-01 7.8298e-01 6.1258e-01 -1.4326e+00 1.6098e+00 -1.3231e-01 4.7095e-01 1.6208e+00 -6.8492e-02 7.9869e-01 -1.0201e+00 -1.1668e-01 -1.0041e-01 3.3959e-01 1.3754e+00 -7.6788e-01 -7.8220e-01 -3.4116e-01 -4.6816e-01 1.6411e-01 4.4805e-01 -1.9319e+00 -1.3167e-01 2.1020e-01 -3.2995e-01 -1.3438e+00 3.6743e-01 1.0718e-01 -5.1295e-01 -1.4694e-01 6.7785e-01 -3.1353e-01 -4.8837e-01 2.8270e-01 1.6944e+00 -6.2066e-01 5.3383e-01 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[*]CC([*])C(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br,,*CC(*)C(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br,454.15,GREA,454.15,,1,0.0,black,15,15.0,15,15,1,7.5,7.5,7.5,7.5,1.0,1,1,1,1,3.3141652845195724,0,2,3,1,0,1,26.3,0.0,0,0.0,525.6049898360001,6,9,10.152039950239356,6.606881964512918,0.8666666666666667,5,0,0,5,8,1,0,0,6,0.4666666666666667,7,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.9989452694664376,0,2,4,1,0,1,26.3,0.0,0,0.0,551.6206399000001,8,9,11.823752913202316,19.951440787129552,1.1176470588235294,5,0,0,5,12,1,0,0,6,0.4736842105263157,9,Polyacrylics,"Polyacrylics, Polyvinyls","[-6.8628e-01 -1.7483e+00 -3.8279e-01 -5.4599e-01 -5.8372e-01 6.5013e-01 -2.5412e+00 -5.1297e-02 -1.0087e+00 2.6274e-01 2.1673e-01 3.6839e-01 -8.3764e-01 -9.7284e-01 5.0683e-01 -1.0378e+00 -7.3617e-01 -1.3074e+00 -8.0038e-01 -8.4274e-01 -6.5477e-01 -1.3775e+00 -1.1046e+00 -1.0760e-01 -1.2892e+00 2.9554e-02 -1.1948e+00 -1.8117e+00 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[*]CC([*])c1cc(C(=O)Oc2ccc(OCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCC)cc1,,*CC(*)c1cc(C(=O)Oc2ccc(OCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCC)cc1,376.75,GREA,376.75,,1,0.0,black,34,34.0,34,34,1,17.0,17.0,17.0,17.0,1.0,1,1,1,1,1.512399909,0,6,12,3,0,3,71.06,0.0,0,18.94745182,462.2042386799999,8,26,12.426740578852186,39.53076089108528,0.5294117647058824,0,0,0,0,16,2,0,0,6,0.1764705882352941,6,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,1.6935535531163428,0,6,14,3,0,3,71.06,0.0,0,18.94745182,488.2198887439999,10,26,13.116134002888469,52.87531971370193,0.75,0,0,0,0,20,2,0,0,6,0.2105263157894736,8,Polystyrenes,"Polystyrenes, Polyvinyls","[-3.2647e-01 3.9015e-01 -2.9469e-01 2.7831e-01 5.2350e-01 -2.1973e-01 -8.3915e-01 -5.2284e-01 -1.7349e-01 3.8027e-01 2.3866e-01 9.2216e-01 1.0681e+00 -9.2509e-01 -4.2122e-01 3.6416e-01 1.5700e+00 -6.1975e-02 4.1993e-01 -6.2849e-01 4.3799e-01 -9.5044e-01 2.8788e-01 -3.7166e-01 -7.5207e-01 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[*]CC([*])c1ccc(C(=O)OCCCC)cc1,,*CC(*)c1ccc(C(=O)OCCCC)cc1,349.15,GREA,349.15,,1,0.0,black,13,13.0,13,13,1,6.5,6.5,6.5,6.5,1.0,1,1,1,1,2.4047966563065137,0,2,4,1,0,1,26.3,0.0,0,0.0,178.0993797,4,9,11.297272297808012,19.765380445542643,1.3076923076923077,0,0,0,0,6,1,0,0,6,0.1538461538461538,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.575408463029009,0,2,6,1,0,1,26.3,0.0,0,0.0,204.1150298,6,9,11.675939389644746,33.10993926815928,1.5333333333333334,0,0,0,0,10,1,0,0,6,0.2352941176470588,4,Polystyrenes,"Polystyrenes, Polyvinyls","[-1.0063e+00 6.3665e-01 -1.6914e-01 9.0972e-01 -3.0010e-01 5.7951e-02 -4.9997e-01 -9.3672e-01 5.6867e-01 4.9297e-01 1.1816e+00 2.2006e+00 1.1571e+00 9.4534e-02 4.0588e-01 6.0137e-01 1.5639e+00 -2.7406e-01 -1.2770e-01 -3.4855e-01 8.8503e-01 -4.6526e-01 -3.3417e-02 -7.7411e-01 -1.4138e+00 4.1887e-01 5.4920e-01 4.1500e-02 9.2765e-01 -3.5531e-01 -1.0869e+00 -2.1129e+00 1.2450e-01 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[*]CC([*])c1ccc(C[Si](C)(C)C)cc1,,*CC(*)c1ccc(C[Si](C)(C)C)cc1,355.15,GREA,355.15,,1,0.0,black,11,11.0,11,11,1,5.5,5.5,5.5,5.5,1.0,1,1,1,1,2.657660984532225,0,0,2,1,0,1,0.0,0.0,0,0.0,164.102127,5,6,2.4027777777777777,25.68512983795973,1.0,0,0,0,0,5,0,0,0,6,0.090909091,1,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.7248070729614184,0,0,4,1,0,1,0.0,0.0,0,0.0,190.1177771,7,6,2.448515684051398,39.02968866057636,1.3076923076923077,0,0,0,0,9,0,0,0,6,0.2,3,Polystyrenes,"Polystyrenes, Polyvinyls","[-0.1108 -0.0534 0.4187 1.3297 0.0834 1.1243 -0.0584 -0.0178 0.2711 -0.4157 -0.067 -0.4719 0.7866 0.3637 0.6107 0.3313 0.1716 -0.8773 0.0963 -0.3297 0.3631 -0.212 -0.2028 0.3812 -1.1391 0.1305 1.3983 -0.6069 0.7207 0.5399 -0.5103 -0.392 0.7518 0.3729 -0.7355 -0.1342 -0.2889 0.7569 0.2944 -0.2915 0.3541 -0.8268 1.5038 1.1599 -0.682 0.7098 -0.0521 -1.259 -0.0272 -1.0114 0.0279 -0.039 0.2917 0.9048 2.7581 0.8298 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[*]CC([*])c1ccc(S(=O)(=O)OCCC)cc1,,*CC(*)c1ccc(S(=O)(=O)OCCC)cc1,490.15,GREA,490.15,,1,0.0,black,13,13.0,13,13,1,6.5,6.5,6.5,6.5,1.0,1,1,1,1,2.8273906689992083,0,3,4,1,0,1,43.370000000000005,0.0,0,0.0,200.0507152,5,8,11.368842592592593,18.24004229813441,1.2307692307692308,0,0,0,0,5,2,0,0,6,0.3076923076923077,4,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.8692737668969834,0,3,6,1,0,1,43.370000000000005,0.0,0,0.0,226.0663653,7,8,11.747509684429328,31.58460112075104,1.4666666666666666,0,0,0,0,9,2,0,0,6,0.3529411764705882,6,Polystyrenes,"Polystyrenes, Polyvinyls","[-2.0239 0.3569 -1.7233 1.2471 -0.557 0.9172 0.3356 -0.445 0.4549 0.6457 1.8679 1.5732 0.9424 -0.3847 0.4216 1.3584 3.1255 -0.9553 -0.7964 -0.7839 0.6565 -0.5504 0.8785 -0.2056 -1.8695 0.8322 1.3559 0.0905 1.1248 -0.7884 -1.1907 -0.844 1.5821 -1.2394 -0.6865 -0.5704 1.2128 -0.3469 -0.6305 0.4363 0.6369 -0.1505 -0.1862 0.2262 0.1994 0.8997 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[*]CC([*])c1ccc([SiH](C)C)cc1,,*CC(*)c1ccc([SiH](C)C)cc1,378.15,GREA,378.15,,1,0.0,black,9,9.0,9,9,1,4.5,4.5,4.5,4.5,1.0,1,1,1,1,2.848234050597751,0,0,1,1,0,1,0.0,0.0,0,5.186725645687458,136.0708269,3,6,2.342592592592593,13.094022707362171,1.0,0,0,0,0,3,0,0,0,6,0.1111111111111111,1,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.807573099,0,0,3,1,0,1,0.0,0.0,0,5.186725645687458,162.086477,5,6,2.404583333333333,26.438581529978805,1.4545454545454546,0,0,0,0,7,0,0,0,6,0.2307692307692307,3,Polystyrenes,"Polystyrenes, Polyvinyls","[-1.0960e+00 1.6316e-01 -3.0527e-03 2.0374e+00 5.8883e-01 1.0295e+00 1.1587e-01 -9.9829e-01 9.7321e-01 -3.8765e-01 9.8316e-01 5.0005e-01 9.6913e-01 -8.9025e-01 2.3559e-03 1.2155e+00 9.0555e-01 -5.2367e-01 1.0448e+00 -1.3601e+00 1.2346e+00 -1.3018e+00 -1.7693e-01 -1.5642e-01 -1.3356e+00 2.5931e-01 1.7063e+00 -1.1837e-01 6.3542e-01 5.8571e-01 -1.3773e+00 -9.5111e-01 6.5758e-01 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[*]CC([*])c1ccc([Si](C)(C)C)cc1,,*CC(*)c1ccc([Si](C)(C)C)cc1,409.15,GREA,409.15,,1,0.0,black,10,10.0,10,10,1,5.0,5.0,5.0,5.0,1.0,1,1,1,1,2.966043178581663,0,0,1,1,0,1,0.0,0.0,0,5.186725645687458,150.086477,4,6,2.363425925925926,19.64103406104326,0.9,0,0,0,0,4,0,0,0,6,0.1,1,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.892668537162588,0,0,3,1,0,1,0.0,0.0,0,5.186725645687458,176.102127,6,6,2.4220738063744016,32.98559288365989,1.3333333333333333,0,0,0,0,8,0,0,0,6,0.2142857142857142,3,Polystyrenes,"Polystyrenes, Polyvinyls","[-0.5496 0.4084 -0.0064 1.4264 0.3664 0.9011 0.0238 -0.6885 0.676 0.1266 0.4253 -0.1335 0.3529 -0.2065 0.5421 0.6223 0.4656 -0.5141 0.308 -0.74 0.5357 -0.4782 0.3 0.1827 -1.19 0.2131 1.6415 -0.372 0.6506 1.1726 -0.7036 -0.9723 0.8995 0.0735 -1.0595 0.2867 0.8773 0.6435 0.6258 -0.1367 0.3811 -0.9156 1.3143 1.316 -0.3068 1.2576 -0.3292 -1.8137 -0.3814 -1.0807 -0.3448 0.2281 0.2398 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[*]CC([*])c1ccc([Si](C)(C)O)cc1,,*CC(*)c1ccc([Si](C)(C)O)cc1,420.15,GREA,420.15,,1,0.0,black,10,10.0,10,10,1,5.0,5.0,5.0,5.0,1.0,1,1,1,1,2.966043178581663,1,1,1,1,0,1,20.23,0.0,0,5.186725645687458,152.06574153399998,4,6,9.62787037,13.094022707362171,1.1,0,0,0,0,4,0,0,0,6,0.2,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.892668537162588,1,1,3,1,0,1,20.23,0.0,0,5.186725645687458,178.08139159799998,6,6,9.942533619929453,26.438581529978805,1.5,0,0,0,0,8,0,0,0,6,0.2857142857142857,4,Polystyrenes,"Polystyrenes, Polyvinyls","[-1.0257e+00 2.2480e-01 -2.6242e-01 1.2272e+00 1.1821e-01 3.0459e-01 3.2331e-01 -5.4270e-01 7.1691e-01 -3.2751e-01 5.8241e-02 -9.9665e-02 2.9863e-01 2.8572e-01 3.3144e-01 5.2607e-01 2.1911e-01 -4.0769e-01 2.4738e-01 -8.5326e-01 7.5495e-01 -1.3305e-01 -1.7836e-01 -2.0596e-01 -1.6850e+00 2.2279e-02 1.9133e+00 -2.3484e-01 4.7877e-01 1.1252e+00 -3.4674e-01 -1.0440e+00 2.5819e-01 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[*]CC([*])c1ccc([Si](C)(C)OC(C)C)cc1,,*CC(*)c1ccc([Si](C)(C)OC(C)C)cc1,453.15,GREA,453.15,,1,0.0,black,13,13.0,13,13,1,6.5,6.5,6.5,6.5,1.0,1,1,1,1,2.810733935725913,0,1,3,1,0,1,9.23,0.0,0,5.186725645687458,194.1126917,7,6,5.962592592592593,33.04546349449173,1.0769230769230769,0,0,0,0,7,0,0,0,6,0.1538461538461538,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.862331422735255,0,1,5,1,0,1,9.23,0.0,0,5.186725645687458,220.1283418,9,6,6.117246236457547,46.39002231710835,1.3333333333333333,0,0,0,0,11,0,0,0,6,0.2352941176470588,4,Polystyrenes,"Polystyrenes, Polyvinyls","[-0.6072 0.526 -0.0529 0.9506 -0.1521 0.8182 0.2119 -0.5868 0.4845 -0.1055 0.7527 -0.8213 0.562 -0.4144 0.2512 0.2745 0.2698 -0.6276 0.0903 -0.8411 0.9501 -0.6235 -0.4089 0.0647 -1.2519 0.7339 1.1197 -0.5611 0.6291 0.7682 -0.4895 -0.6169 0.7737 0.1033 -0.9114 0.2929 0.8153 0.4191 0.1832 0.3531 -0.1479 -0.7371 0.6524 0.8641 -0.3624 0.6335 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[*]CC([*])c1ccc([Si](C)(C)O[Si](C)(C)C)cc1,,*CC(*)c1ccc([Si](C)(C)O[Si](C)(C)C)cc1,308.65,GREA,308.65,,1,0.0,black,14,14.0,14,14,1,7.0,7.0,7.0,7.0,1.0,1,1,1,1,2.8612960793576097,0,1,3,1,0,1,9.23,0.0,0,5.186725645687458,224.1052683,8,6,6.288981481481481,32.735056768405435,0.8571428571428571,0,0,0,0,8,0,0,0,6,0.2142857142857142,3,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.902540531451592,0,1,5,1,0,1,9.23,0.0,0,5.186725645687458,250.1209184,10,6,6.443635125346434,46.07961559102206,1.1875,0,0,0,0,12,0,0,0,6,0.2777777777777778,5,Polystyrenes,"Polystyrenes, Polyvinyls","[-3.2081e-01 1.9673e-01 3.4544e-01 5.9333e-01 7.8635e-02 6.8107e-01 3.8733e-01 -4.3993e-01 6.2445e-01 -5.9336e-01 2.6177e-01 -7.1442e-01 8.3492e-01 -1.3171e-02 5.1546e-01 1.8027e-01 -1.8129e-02 -4.9991e-01 1.6633e-01 -6.1831e-01 9.2809e-01 -7.4231e-01 -3.0102e-01 2.3096e-01 -1.0122e+00 -2.9934e-02 1.2331e+00 -4.2257e-01 5.1827e-01 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[*]CC([*])c1ccc([Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc1,,*CC(*)c1ccc([Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc1,246.15,GREA,246.15,,1,0.0,black,18,18.0,18,18,1,9.0,9.0,9.0,9.0,1.0,1,1,1,1,2.825917103,0,2,5,1,0,1,18.46,0.0,0,5.186725645687458,298.1240597,12,6,6.477662037037037,45.82907947576761,0.7222222222222222,0,0,0,0,12,0,0,0,6,0.2777777777777778,5,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.894324859927691,0,2,7,1,0,1,18.46,0.0,0,5.186725645687458,324.1397097,14,6,6.632315680901991,59.17363829838423,1.0,0,0,0,0,16,0,0,0,6,0.3181818181818182,7,Polystyrenes,"Polystyrenes, Polyvinyls","[-0.415 0.2983 0.4707 0.2797 -0.0088 0.5137 0.3336 -0.2289 0.5331 -0.6255 0.3764 -1.2692 0.6069 -0.2539 0.1458 -0.1469 -0.1594 0.0734 0.2512 -0.5685 1.1115 -0.7763 -0.5201 0.2706 -1.0957 0.2075 1.2812 -0.3659 0.3019 1.0902 -0.7382 0.0845 0.599 0.3556 -0.8743 0.5254 0.5575 0.44 -0.1822 0.2009 0.0454 -0.4439 0.9251 0.97 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[*]CC=CCS([*])(=O)=O,,*C/C=C/CS(*)(=O)=O,359.15,GREA,359.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,9,1,3.651215938,0,2,3,0,0,0,34.14,0.0,0,0.0,118.0088504,3,4,10.586337868480726,6.923737199690624,1.7142857142857142,0,0,0,0,5,3,0,0,0,0.5555555555555556,5,3.651215938,0,2,3,0,0,0,34.14,0.0,0,0.0,118.0088504,3,4,10.586337868480726,6.923737199690624,1.7142857142857142,0,0,0,0,5,3,0,0,0,0.5555555555555556,5,Polysulfides,Polysulfones/sulfoxides/sufonates/sulfoamides,"[-2.0419e+00 -1.8919e+00 -2.6002e+00 -3.4161e-01 2.5623e-02 1.3563e+00 -1.3274e-01 -6.8543e-01 -6.6216e-02 4.5335e-01 2.3566e+00 2.1897e-01 3.0266e-01 -6.3730e-01 5.1469e-01 1.6015e+00 3.9991e+00 -1.4093e+00 -1.7444e+00 -4.4203e-01 1.1896e+00 1.4326e-01 5.1625e-01 2.3091e-01 4.0788e-02 -7.1588e-02 2.1822e+00 1.1068e-01 1.8205e+00 2.8381e-02 -1.2039e+00 8.5628e-02 3.7394e+00 -1.5397e+00 -6.9982e-01 1.0517e-01 1.5695e+00 -3.1640e-01 -7.6045e-01 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[*]CC=CC[Si]([*])(C)C,,*C/C=C/C[Si](*)(C)C,215.65,GREA,215.65,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,9,1,3.3812371852004897,0,0,3,0,0,0,0.0,0.0,0,0.0,112.0708269,5,2,2.5273526077097506,26.061855683969267,1.7142857142857142,0,0,0,0,7,1,0,0,0,0.3333333333333333,3,3.3812371852004897,0,0,3,0,0,0,0.0,0.0,0,0.0,112.0708269,5,2,2.5273526077097506,26.061855683969267,1.7142857142857142,0,0,0,0,7,1,0,0,0,0.3333333333333333,3,Polysiloxanes,Polysiloxanes/silanes,"[ 5.7608e-01 -8.3275e-01 3.7353e-01 4.9161e-01 -3.4315e-01 1.1040e+00 1.1713e-01 -1.0071e+00 2.7009e-02 2.7783e-01 1.3582e+00 -1.1508e+00 3.8876e-01 1.3284e-01 5.1111e-01 7.6336e-01 6.9311e-01 -6.6724e-01 1.6019e-01 -1.0771e+00 9.7379e-01 -4.8956e-01 -1.3458e-01 -3.2585e-01 -4.9861e-01 -3.3108e-01 2.0949e+00 6.1455e-01 1.1586e+00 1.6932e+00 -7.0511e-01 5.5827e-01 1.5662e+00 3.1821e-01 -1.4452e+00 8.5381e-01 4.7804e-01 3.8150e-01 2.6723e-01 -9.0325e-01 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[*]CC=CC[Si]([*])(C)CCCOc1ccc(-c2ccccc2)cc1,,*C/C=C/C[Si](*)(C)CCCOc1ccc(-c2ccccc2)cc1,283.15,GREA,283.15,,1,0.0,black,16,16.0,16,16,1,8.0,8.0,8.0,8.0,1.0,1,1,1,1,2.134328002,0,1,4,2,0,2,9.23,0.0,0,4.736862953800049,212.1201151,3,13,5.546016156462585,13.344558822616634,0.8125,0,0,0,0,5,0,0,0,6,0.0625,1,8,1,3.025847674469288,0,0,3,0,0,0,0.0,0.0,0,0.0,98.05517685,4,2,2.506519274376417,19.51484433028818,2.0,0,0,0,0,6,1,0,0,0,0.375,3,1.7569868912379518,0,1,9,2,0,2,9.23,0.0,0,4.736862953800049,308.1596419,7,15,5.959896148274124,31.97976173013066,1.0454545454545454,0,0,0,0,12,1,0,0,6,0.1666666666666666,4,Polysiloxanes,Polysiloxanes/silanes,"[ 0.2571 -0.0764 -0.1348 1.4413 0.3218 1.3165 -0.4477 -0.743 -0.0096 0.9365 0.3443 -0.8204 0.2179 -0.255 0.4216 0.383 0.2662 -0.0298 0.978 -0.5543 1.196 -0.9135 0.0478 0.0772 -0.8181 1.138 1.6797 -0.026 -0.3849 0.5136 -0.7805 0.3447 1.1808 0.4936 -1.4409 -0.0207 0.3837 0.9871 0.4223 -1.0375 0.0943 -0.6104 0.833 1.5711 -1.0192 1.1789 -0.9913 -1.1082 -0.8064 -0.2458 -1.1176 -0.5527 -0.0469 -0.1896 2.1918 0.3259 -0.1646 -1.0339 -1.1276 2.1321 -1.3803 0.5356 0.0251 0.0449 0.5599 0.0323 0.4895 0.8247 0.2707 -0.0378 -1.0499 -0.6992 0.5238 -0.2155 0.2446 0.5292 1.1827 -1.0144 -0.1739 -0.2484 -0.5249 0.4045 0.9994 0.12 0.0137 0.8084 -0.1068 -0.1885 -0.4271 0.5635 0.637 -1.1322 -1.5694 -0.203 -1.2148 0.1572 -1.2032 -0.493 -0.5276 -0.0707 1.0574 0.8582 -0.0942 -0.014 0.6305 -0.5083 -1.3647 0.8631 -0.685 -0.2288 0.2961 0.4596 -0.7672 1.3222 0.0105 -0.5783 -0.4248 -0.9273 -1.6558 0.5495 -0.9929 -0.2452 -0.5353 -0.3691 -0.8492 -0.5636 0.7916 -0.5873 -0.3841 -0.2151 0.5876 -0.521 -0.6196 -0.1349 -0.4579 0.9966 -1.3901 0.2883 -0.0475 0.5226 0.5952 -0.4583 -0.6509 0.1719 -0.3966 -0.1154 0.0553 -0.0245 -0.1158 -0.3521 -0.7739 0.1173 -0.9119 -0.4039 0.0159 -1.0793 1.0595 1.6887 0.6055 0.0699 -0.5132 0.3053 0.4233 1.3536 1.2327 0.5071 0.6051 0.0635 -0.1993 -0.6217 0.2643 -1.1192 0.4615 0.1818 0.3799 0.9406 0.3165 0.5303 0.4026 -0.2924 -0.4646 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[*]CC=CC[Si]([*])(C)CCCOc1ccc2ccccc2c1,,*C/C=C/C[Si](*)(C)CCCOc1ccc2ccccc2c1,272.15,GREA,272.15,,1,0.0,black,14,14.0,14,14,1,7.0,7.0,7.0,7.0,1.0,1,1,1,1,2.315209941671528,0,1,3,2,0,2,9.23,0.5,0,4.736862953800049,186.1044651,3,11,5.563251133786848,13.344558822616634,1.0,0,0,0,0,4,0,0,1,6,0.071428571,1,8,1,3.025847674469288,0,0,3,0,0,0,0.0,0.0,0,0.0,98.05517685,4,2,2.506519274376417,19.51484433028818,2.0,0,0,0,0,6,1,0,0,0,0.375,3,1.7855243719805487,0,1,8,2,0,2,9.23,0.5,0,4.736862953800049,282.1439919,7,13,5.977131125598387,31.97976173013066,1.2,0,0,0,0,11,1,0,1,6,0.1818181818181818,4,Polysiloxanes,Polysiloxanes/silanes,"[ 0.5595 -0.9314 0.1748 0.6703 -0.3077 1.1073 -0.4541 -0.4289 0.1603 1.0482 1.1824 -1.1054 -0.4335 0.0998 0.6397 0.1717 0.1782 -0.3402 0.6589 -1.0522 0.7331 -0.186 -0.1849 -0.1385 -0.7377 1.111 1.6699 0.2919 0.1902 0.4635 -0.6055 0.3565 2.0411 0.7764 -1.224 0.4242 0.4224 0.4743 -0.1152 -1.0076 0.6877 -0.5975 0.615 1.5992 -1.2619 0.4651 -1.5108 -0.8577 -0.6543 0.0986 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0.0633 0.841 -0.2218 0.1584 -0.5772 -0.6475 0.5395 0.8101 0.3334 -0.6037 -0.3968 -0.1886 0.2819 0.5989 -0.7348 0.3425 0.8029 -1.1713 -0.5601 -0.2879 0.0983 -0.8525 0.3475 0.1063 0.9169 0.0341 2.1495 0.1862 0.2323 0.239 0.0102 -0.4768 0.777 -0.7415 -1.1203 0.1305 -1.3844 0.8392 0.2425 -0.2555 0.7519 1.0029 0.1535 -0.5124 0.1787 0.0433 0.9147 0.0185 0.1147 0.2672 -0.4182 0.7892 1.254 0.3298 1.0573 0.8074 0.0904 -0.1725 -1.1399 0.8562 0.2711 1.2513 -1.7312 -0.306 -0.0711 0.6506 0.1353 -0.4022 -0.2054 -1.0709 0.3207 -1.2195]",{},"[ 8.1133e-01 -1.0071e+00 -2.6113e-01 3.6457e-01 -2.9666e-01 8.6768e-01 -8.1214e-02 -7.3266e-01 2.1419e-01 2.1341e-01 1.2237e-01 -9.5566e-01 -6.2447e-01 4.0050e-01 3.7420e-01 6.7450e-01 -1.6372e-01 -3.1967e-01 3.7017e-01 -5.2115e-02 7.2624e-02 3.6782e-01 -4.0248e-01 8.7467e-02 1.9083e-01 8.1258e-01 5.9028e-01 2.9081e-01 4.2554e-01 8.7451e-02 2.3323e-02 7.6744e-01 7.6607e-01 1.7204e-01 -2.5987e-01 3.6100e-01 -3.8888e-01 5.3585e-01 2.6709e-01 -5.8092e-01 1.4684e-02 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-7.0592e-01 -4.4799e-01 7.3827e-01 -1.9991e-01 -4.2223e-01 -5.8997e-01 -2.1527e-01 7.1490e-02 4.5496e-02 -1.3428e-01 7.7928e-01 -2.3133e-01 4.9033e-01 -8.5644e-02 -9.8256e-02 -1.2540e-01 -4.9822e-01 -4.7362e-01 2.0602e-01 -4.7727e-01 3.7765e-01 -2.0422e-01 2.5515e-01 -9.4236e-01 -8.3175e-02 5.6275e-02 3.1750e-01 -9.9704e-01 -1.1259e-01 1.1672e-01 1.1109e+00 5.8375e-02 -2.5219e-01 9.6777e-02 -1.9989e-01 -1.1327e-01 5.8202e-01 2.8768e-02 6.1914e-01 7.1338e-01 9.1930e-01 3.6130e-01 -4.8871e-01 -4.1121e-01 -3.5601e-01 -1.8672e-01 -4.2833e-01 4.0729e-01 -4.6530e-01 -2.9962e-01 -6.9740e-01 7.5462e-01 -1.7742e-01 -9.2321e-01 1.6987e-01 -1.1447e-01 2.2172e-03 -8.8551e-02 1.9322e-01 3.6165e-01 -1.3944e-01 -1.6216e-01 4.0221e-01 6.4920e-01 5.3296e-01 -1.4594e-01 4.2422e-01 -1.8995e-01 9.1190e-02 1.6948e-01 5.8198e-01 1.2578e-01 -1.0808e-01 7.2670e-01 -7.3680e-01 2.5396e-01 8.3788e-02 -2.6857e-01 5.8571e-01 2.3416e-01 2.5861e-01 6.0454e-01 -7.8952e-01 1.4109e+00 3.9867e-01 1.7461e-01 9.3307e-02 5.5770e-02 -2.2558e-01 6.3750e-01 -4.8118e-01 -8.4311e-01 3.0233e-02 -6.4046e-01 1.5646e-01 2.9460e-01 -1.0939e+00 1.1082e-03 6.2916e-01 3.8427e-01 1.2710e-01 -5.2912e-01 3.5954e-01 -3.2069e-01 -5.8058e-02 -5.9832e-01 8.1036e-01 -4.5994e-01 3.0542e-01 5.0832e-01 7.7854e-01 6.7171e-01 2.4051e-01 -6.6878e-02 -3.5894e-01 -6.0172e-01 5.3957e-01 1.6722e-01 1.3696e-02 -5.4146e-01 -3.2212e-01 1.9400e-01 4.2361e-01 5.0030e-01 -9.7022e-02 6.0886e-01 -5.6959e-01 4.6134e-01 -5.5817e-01]" [*]CC=CC[Si]([*])(C)CCCOc1ccccc1,,*C/C=C/C[Si](*)(C)CCCOc1ccccc1,243.15,GREA,243.15,,1,0.0,black,10,10.0,10,10,1,5.0,5.0,5.0,5.0,1.0,1,1,1,1,2.4265223465879537,0,1,3,1,0,1,9.23,0.0,0,4.736862953800049,136.088815,3,7,5.355138888888889,13.344558822616634,1.2,0,0,0,0,4,0,0,0,6,0.1,1,8,1,3.025847674469288,0,0,3,0,0,0,0.0,0.0,0,0.0,98.05517685,4,2,2.506519274376417,19.51484433028818,2.0,0,0,0,0,6,1,0,0,0,0.375,3,2.183769252740104,0,1,8,1,0,1,9.23,0.0,0,4.736862953800049,232.1283418,7,9,5.769018880700428,31.97976173013066,1.375,0,0,0,0,11,1,0,0,6,0.2222222222222222,4,Polysiloxanes,Polysiloxanes/silanes,"[ 0.6785 -0.6943 0.257 0.6224 0.0533 0.583 -0.6871 -0.935 0.2028 0.6231 0.8751 -0.9643 -0.0175 0.0443 0.9471 0.3851 -0.118 -0.3657 0.5689 -0.7216 1.0894 -0.4854 -0.2786 -0.04 -0.4525 1.1897 1.9315 0.3805 0.4177 0.165 -0.9377 0.8089 1.23 0.7868 -1.6524 0.2085 0.4386 1.1209 -0.181 -1.0445 0.5571 -0.386 0.5104 1.6261 -1.4761 0.3655 -1.1169 -1.05 -0.3602 0.0559 -1.5557 -0.3116 0.5788 0.1068 1.8875 0.0283 0.2593 -0.9746 -0.9837 2.0517 -1.7706 0.0625 -0.3292 0.445 0.1112 -0.5797 0.9212 0.8096 1.0016 -0.4906 -1.1613 -0.1701 0.4754 -0.1441 0.4575 0.2573 0.5792 -0.8296 -0.8142 -0.0196 -0.4758 0.6023 0.9635 0.6865 -0.0585 0.6251 -0.0663 0.1695 -0.3313 0.4584 0.1556 -0.7194 -1.2059 -0.2375 -0.4998 -0.16 -1.2935 -1.0531 -0.5741 -0.0844 0.7371 0.7867 -0.5442 -0.5461 1.0927 -0.527 -1.0674 0.6966 -1.4053 -0.0556 0.2215 0.4883 -0.386 0.7863 0.1353 -0.5957 -0.5251 -0.9249 -1.6266 0.3438 -1.0335 -0.4203 -0.7535 -0.7253 -0.3856 -0.688 0.5781 -0.5826 -0.3918 0.1425 0.5436 -1.0889 -1.2342 0.0259 -0.8069 0.6265 -0.636 0.5004 0.5781 0.5601 0.4098 -1.0919 -0.4536 -0.1071 -0.1556 -0.3653 -0.2823 -0.2479 -0.5227 -0.6608 -0.7895 0.0871 -0.7868 -0.3697 -0.0333 -0.9299 0.7309 1.3415 0.7596 -0.0758 -0.0224 0.3133 0.6384 1.4613 0.7371 0.4745 0.5975 0.1357 0.0688 -0.4432 0.3679 -1.0942 0.1727 0.3336 0.6051 0.6046 -0.2921 -0.1141 -0.0382 -0.4315 -0.1946 -0.2939 1.6302 -0.4186 -0.1551 0.7068 -0.2542 0.4973 -0.53 -0.3097 -0.08 1.0304 0.2079 -0.4705 -0.0732 0.0246 0.0819 0.4531 -1.1473 0.3491 0.6054 -1.0691 -0.5742 -0.3975 0.4126 -0.7623 0.1274 0.0841 1.0104 0.4871 1.9313 -0.3504 0.5202 -0.0507 -0.2781 0.0782 1.0375 -0.7736 -1.0929 0.4086 -1.3226 0.5431 0.3237 0.1093 0.6158 0.9751 0.7005 -0.5841 -0.3246 -0.2639 0.9023 -0.177 -0.2352 0.4383 -0.2875 -0.2628 0.7387 0.1734 1.1676 0.6641 -0.0129 -0.2073 -1.3194 0.3436 0.324 1.4296 -1.8839 -0.2539 -0.2573 0.6048 -0.3133 -0.3774 -0.1979 -0.544 0.1761 -1.2618]",{},"[ 8.6007e-01 -8.4288e-01 1.2110e-02 3.9327e-01 2.9711e-03 5.3161e-01 -1.7778e-01 -4.8431e-01 -2.1521e-01 -5.4812e-02 -5.3697e-04 -6.9545e-01 -3.9773e-01 4.8857e-01 8.1499e-01 5.6541e-01 -3.1925e-01 -1.4888e-01 2.9685e-01 1.3429e-01 1.5291e-01 2.9166e-01 -3.1037e-01 2.2178e-01 -2.2907e-01 6.6752e-01 5.1450e-01 1.9532e-01 -6.2677e-02 4.2241e-01 -9.6472e-02 1.1958e+00 1.9880e-01 3.0782e-01 -7.1059e-01 2.8705e-01 -4.2803e-01 9.3820e-01 3.8424e-01 -4.2968e-01 -7.8532e-02 -2.0398e-01 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-1.6339e-01 4.5076e-01 3.9973e-02 -2.1933e-01 -3.6613e-01 5.1147e-02 2.2028e-01 4.0390e-01 -2.5599e-01 8.2909e-01 1.6667e-02 7.0986e-02 2.2898e-01 -1.0735e-01 -6.8681e-01 -5.1825e-01 -2.2826e-01 4.7642e-01 -4.4461e-01 2.2075e-02 -4.3513e-01 3.3959e-01 -4.9205e-01 -2.2292e-01 -8.5537e-02 6.6328e-01 -7.0485e-01 7.4186e-02 1.5077e-01 8.7138e-01 7.4467e-01 -1.7311e-01 1.7418e-01 1.8384e-01 1.7200e-02 4.9282e-01 -1.3989e-01 -7.9617e-02 1.9741e-01 4.5698e-01 3.7618e-01 -1.1780e-01 2.9696e-01 -5.2699e-01 -1.4889e-01 -2.4423e-01 2.8621e-01 -5.5467e-01 -5.0090e-01 -4.0290e-01 3.1570e-01 -3.3584e-01 -4.0117e-01 -1.5611e-01 2.8431e-01 -1.3818e-01 -4.2381e-01 3.8078e-01 1.9481e-01 -3.0546e-02 2.7791e-02 1.5288e-01 4.4130e-01 7.1255e-01 -1.5695e-01 1.5412e-01 -8.2354e-02 1.6430e-01 -8.4647e-02 2.3249e-01 6.7234e-02 -2.5952e-01 4.0370e-01 -6.8472e-01 2.6170e-01 -8.3577e-02 -2.4163e-01 3.3646e-01 4.4488e-02 4.3886e-01 4.1284e-01 -7.4711e-01 1.1547e+00 5.4405e-02 2.5160e-01 1.8169e-01 2.5163e-01 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[*]CC=CC[Si]([*])(C)c1ccccc1,,*C/C=C/C[Si](*)(C)c1ccccc1,272.15,GREA,272.15,,1,0.0,black,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,3.000000000000001,0,0,0,1,0,1,0.0,0.0,0,0.0,78.04695019,0,6,2.0,0.0,0.3333333333333333,0,0,0,0,0,0,0,0,6,0.0,0,8,1,3.025847674469288,0,0,3,0,0,0,0.0,0.0,0,0.0,98.05517685,4,2,2.506519274376417,19.51484433028818,2.0,0,0,0,0,6,1,0,0,0,0.375,3,2.701816426283697,0,0,4,1,0,1,0.0,0.0,0,5.186725645687458,174.086477,4,8,2.564389644746788,19.51484433028818,1.4166666666666667,0,0,0,0,7,1,0,0,6,0.2142857142857142,3,Polysiloxanes,Polysiloxanes/silanes,"[ 0.3223 -0.6843 0.051 0.8838 -0.0266 0.9342 -0.4154 -0.8192 -0.056 -0.0412 0.8099 -0.9327 0.5178 0.013 1.0504 0.3681 0.2804 -0.5441 0.8467 -0.313 1.1736 -0.164 -0.0249 -0.0609 -0.9628 0.5271 2.3522 0.2526 0.3722 0.9327 -1.0226 0.4908 1.1333 0.9769 -1.7914 0.3007 0.5548 1.2917 0.0664 -0.9524 0.818 -0.9353 1.1001 1.9858 -1.4239 0.58 -1.3928 -1.1172 -0.2721 -0.0321 -1.2065 -0.2247 0.3291 0.0928 2.7387 0.3185 0.551 -0.5515 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-4.3272e-01 -8.2650e-02 2.7352e-02 -2.0874e-01 3.0672e-01 -4.2853e-01 5.6801e-02 1.6905e-01 4.3527e-01 4.8222e-01 -4.7506e-01 -1.1847e+00 1.8485e-02 2.4915e-01 5.7974e-01 -3.6808e-01 2.5319e-01 -4.5846e-01 7.4849e-01 -3.2553e-01 1.1743e-01 1.2124e-02 2.1350e-01 9.9060e-02 -3.8400e-01 -1.1634e-01 1.5336e+00 7.9017e-01 -3.9964e-01 5.1986e-01 3.3603e-01 9.2692e-02 4.2701e-01 4.0314e-01 2.0935e-01 2.2411e-01 6.9425e-01 4.5705e-01 1.7840e-01 -2.8230e-01 -6.9196e-01 -1.7630e-01 -3.6873e-01 3.3655e-01 -4.5254e-01 -6.0434e-01 -2.0626e-01 6.7698e-01 2.3915e-01 -5.6705e-01 -3.9649e-01 4.0551e-01 -3.1987e-01 3.1297e-01 8.5546e-02 -4.6713e-01 3.5774e-01 2.3226e-01 -3.4544e-01 -8.9979e-02 9.3165e-01 1.8367e-01 8.8211e-02 1.9417e-01 1.5591e-01 1.1024e-01 3.3855e-01 -3.5648e-01 -2.7238e-02 -7.9103e-03 -6.5290e-01 1.9011e-01 2.6318e-01 -4.3550e-01 5.6154e-01 1.8963e-01 4.4483e-01 -5.4781e-02 -2.2463e-01 1.6021e+00 -2.5289e-01 1.5396e-01 4.0796e-01 4.2242e-01 2.1962e-01 1.3376e+00 -2.4891e-02 -1.3513e+00 7.7309e-01 -8.9247e-01 1.6036e-01 9.5430e-02 -8.9426e-01 6.6955e-01 1.0495e+00 2.0098e-01 -6.9520e-02 -1.4097e-01 4.8554e-01 -3.8807e-01 -2.5831e-01 -6.2524e-01 7.6475e-01 -4.5175e-01 -4.1900e-01 3.5783e-01 1.2954e-01 2.9667e-01 4.6132e-02 -2.0755e-01 -9.4202e-02 -9.4164e-01 -6.8149e-03 9.6025e-02 1.6916e-01 -7.8858e-01 -9.8323e-03 6.5362e-01 1.1191e-01 1.6598e-01 -1.3265e-01 3.0823e-02 -5.2004e-01 3.9203e-01 -5.0613e-01]" [*]CC=CC[Si]([*])(C=C)C=C,,*C/C=C/C[Si](*)(C=C)C=C,208.15,GREA,208.15,,1,0.0,black,4,2.0,2,2,2,1.0,1.0,1.0,2.0,1.0,1,1,2,1,4.0,0,0,0,0,0,0,0.0,0.0,0,0.0,56.06260026,0,4,6.0,0.0,2.0,0,0,0,0,0,2,0,0,0,0.0,0,7,1,2.7771492902446893,0,0,3,0,0,0,0.0,0.0,0,0.0,84.03952679,3,2,2.4228395061728394,12.967832976607095,2.0,0,0,0,0,5,1,0,0,0,0.4285714285714285,3,3.9721146800528944,0,0,5,0,0,0,0.0,0.0,0,0.0,136.0708269,3,6,3.917062862,12.967832976607095,1.4444444444444444,0,0,0,0,7,3,0,0,0,0.2727272727272727,3,Polysiloxanes,Polysiloxanes/silanes,"[-0.6482 -1.527 -0.1634 0.2543 -0.0549 2.0825 0.7416 -1.5959 -0.3316 0.492 0.6354 -0.6548 0.3919 0.3478 0.4449 0.4168 0.3891 0.5457 0.1172 0.0221 1.5871 -0.0257 -0.6291 -0.7233 -0.6743 -0.3204 2.9573 0.7234 1.3655 0.8066 -1.0718 -0.0263 1.7466 0.9548 -2.0513 0.5633 0.7442 -0.0581 0.4139 -0.458 0.3018 -0.6508 0.3992 2.2899 -1.9522 -0.3931 -1.95 -1.0212 -1.084 0.6426 -1.6184 0.9782 -0.8465 0.2652 2.5576 -0.3879 -1.2158 0.1351 -0.661 2.486 -0.2266 -0.383 -1.221 -0.2489 0.5289 -1.3745 -0.0181 1.4604 0.8534 -1.048 -1.1901 -0.0131 1.3767 -0.075 0.7867 0.0972 1.1039 -0.7836 -1.0578 -0.8481 -0.5216 0.3173 1.493 0.7485 -1.0655 0.179 -0.6751 0.3771 -0.0391 1.1196 0.7555 -1.1507 -0.5714 -0.698 -0.5883 -0.1058 -0.9836 0.076 -0.6117 0.4347 0.1981 0.0465 -1.2696 0.2701 -0.0077 -0.6258 -0.4409 0.1328 -1.5472 -0.9114 -0.5212 0.8544 -0.4577 0.0097 0.6266 -0.6262 0.4445 -0.8758 -1.5551 0.047 -1.0519 0.6259 -0.7025 -1.3835 -1.3238 0.5619 1.0632 -0.6253 -0.0504 0.6651 0.5066 -0.6903 -1.5968 -0.5972 -0.5905 -0.6362 -0.3719 0.2859 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-3.2748e-01 1.2735e-02 2.6512e-01 -2.3281e-01 -7.6038e-01 -3.4256e-01 -1.8270e-01 8.2455e-02 5.6413e-01 8.6953e-02 3.8891e-02 -7.5991e-01 -1.0318e+00 7.0574e-02 3.6226e-01 3.7287e-02 6.9385e-03 3.4303e-01 -9.6896e-01 -1.9144e-01 -4.4322e-01 -7.8125e-01 -3.3892e-01 -1.0468e+00 -7.7401e-02 -8.1247e-01 -7.1692e-01 -4.4125e-01 1.0164e+00 7.4883e-01 -1.8934e-01 -5.9406e-01 5.2757e-01 -2.7812e-01 -1.7396e-01 -1.1762e-01 -4.8598e-02 -4.1760e-01 -5.5158e-02 -8.7185e-01 2.4489e-01 -3.6924e-01 1.6156e-01 8.3222e-01 -6.9685e-01 -1.3989e+00 -7.0530e-01 3.6312e-01 -1.6459e-01 -1.6159e+00 1.5247e-01 -4.6749e-01 1.0813e+00 2.4714e-01 -2.6396e-01 9.7467e-01 8.7387e-01 -1.5105e-01 8.9891e-02 -2.3704e-01 4.7834e-01 -1.6001e-01 -2.7730e-01 1.2325e+00 7.4104e-01 -1.5272e+00 1.5188e-01 3.2615e-01 -4.1803e-02 5.2429e-01 -2.3599e-01 3.5483e-01 -2.0214e-01 3.4761e-01 -2.8916e-01 -6.6460e-02 1.3338e-01 3.9268e-01 4.4689e-01 -7.1202e-01 -2.2602e-01 7.4659e-03 -5.9094e-01 1.8500e-01 2.5277e-01 1.1238e+00 2.3481e-01 1.9654e-01 6.8597e-01 2.1103e-01 7.7668e-01 8.7144e-01 1.7902e-01 8.6659e-01 8.0782e-01 8.2356e-01 3.7688e-01 -1.3074e-02 2.0563e-01 -8.6679e-02 9.9728e-01 2.9455e-02 -1.7802e-01 4.3576e-01 -5.8922e-01 9.6684e-02 2.3631e-01 2.8257e-01 4.8361e-01 9.0373e-01 7.4302e-01 7.2693e-01 -4.0305e-01 4.4705e-01 -2.3578e-01 1.1269e+00 -1.0098e-01 6.5637e-01 -7.9672e-01 7.6116e-01 -4.0034e-01 -1.6029e+00 6.4001e-01 -1.0939e+00 -5.4869e-01 -7.6477e-01 -2.8941e-01 -3.2390e-01 6.1029e-01 1.8596e-01 -6.1394e-01 -4.0725e-01 7.5334e-02 7.7346e-02 -1.2960e+00 -9.1813e-01 -8.3977e-02 -6.9156e-01 -4.7440e-01 -1.5973e-01 -1.4720e-01 2.8534e-01 -1.8140e-01 -4.1323e-02 -1.2163e+00 -5.3648e-01 3.2840e-01 -4.2466e-01 6.1344e-01 -1.5785e+00 -2.1104e-01 -1.0876e-02 9.0467e-01 7.0097e-01 -5.2840e-01 -5.1349e-01 -5.3072e-01 -4.3002e-01 -5.7094e-01]" [*]CC=CC[Si]([*])(CCCOc1ccccc1)c1ccccc1,,*C/C=C/C[Si](*)(CCCOc1ccccc1)c1ccccc1,268.15,GREA,268.15,,1,0.0,black,16,8.0,10,6,2,4.0,3.0,5.0,8.0,1.0,1,1,2,2,5.426522346587955,0,1,3,2,0,2,9.23,0.0,0,4.736862953800049,214.1357652,3,13,7.355138888888889,13.344558822616634,1.5333333333333332,0,0,0,0,4,0,0,0,12,0.1,1,7,1,2.7771492902446893,0,0,3,0,0,0,0.0,0.0,0,0.0,84.03952679,3,2,2.4228395061728394,12.967832976607095,2.0,0,0,0,0,5,1,0,0,0,0.4285714285714285,3,1.9322836534687904,0,1,9,2,0,2,9.23,0.0,0,9.923588599487507,294.1439919,6,15,5.9048961482741245,25.432750376449576,1.0,0,0,0,0,11,1,0,0,6,0.1739130434782608,4,Polysiloxanes,Polysiloxanes/silanes,"[ 0.5131 -0.557 -0.4163 0.7642 0.471 0.366 -0.7229 -1.3684 0.1217 0.4133 0.3591 -0.8529 0.1092 -0.4294 0.9409 0.6597 0.0374 -0.6528 0.7587 -0.4626 1.2264 -0.1205 -0.3947 0.1871 -0.4612 1.4867 1.9264 -0.5167 0.1797 -0.2391 -1.114 0.633 1.0109 0.7537 -1.5742 -0.137 0.5464 1.4873 -0.243 -1.3678 1.0985 -0.7946 0.3394 1.4347 -1.3212 0.6646 -1.0675 -1.2383 -0.3384 0.0386 -1.8138 -1.4772 0.3767 0.4506 1.832 -0.0926 0.3734 -0.749 -1.1662 1.5287 -1.7636 -0.0161 -0.2396 0.9574 0.5635 0.0194 0.8085 0.1009 0.4992 -0.8985 -1.3563 -0.3821 -0.5003 0.2732 0.6302 0.5657 0.3367 -1.0537 -0.7891 -0.2065 -0.8518 1.1359 1.1925 0.0946 -0.1613 0.6388 0.0638 -0.2596 -0.0233 0.4847 0.1102 -0.8821 -1.0359 -1.0224 -1.0198 -0.3258 -1.7644 -0.5248 -0.1516 -0.1806 0.7318 0.7485 -0.6361 0.3597 1.0093 -0.4272 -1.2538 0.9081 -0.4611 -0.6581 1.385 1.1238 -0.5549 0.7613 -0.1319 -1.3573 -0.6457 -1.36 -1.4159 0.7363 -0.5045 -0.7428 -0.3964 -0.2575 -0.6023 -0.4256 0.6138 -0.6921 -0.4634 0.3659 0.025 -1.0884 -0.8609 0.0175 -1.2658 1.1537 -1.0786 0.2709 0.7519 0.8247 0.4484 -1.3625 -0.5388 0.1113 -0.3793 -0.6273 -0.6993 -0.1939 -0.5485 -0.4439 -1.0169 0.074 -0.8059 -0.5808 0.3173 -0.91 1.2635 1.3535 0.4441 -0.5006 0.0036 0.9167 0.9977 1.6683 1.2131 1.1966 0.0459 0.0262 0.23 -0.5083 0.0526 -1.1618 0.3959 0.7602 0.5942 1.0537 -0.3724 -0.2691 0.3187 -0.1626 -0.7549 -0.612 1.8161 -0.2278 0.5479 0.6526 -0.4919 1.4276 -0.6696 -0.9954 -0.0467 1.4338 -0.2571 -0.0351 0.3073 0.7768 -0.3077 0.6084 -1.0545 0.4162 0.7023 -1.09 -0.2121 -0.2551 0.1513 -0.4972 0.4139 0.6445 1.3874 0.9531 1.8611 -0.1132 0.2615 -0.0052 -0.2685 -0.1374 0.9102 -1.2382 -1.3323 0.6805 -1.3366 0.9513 0.2707 -0.4374 0.9108 0.8078 0.6174 -0.7443 -0.4409 0.2439 0.7012 -0.6399 -0.157 0.187 0.2367 0.078 0.7673 0.2706 1.4493 0.8777 -0.2793 0.2621 -1.4718 0.432 0.4619 1.7166 -1.3745 -0.5967 0.0322 0.9956 0.3263 -0.7134 0.0093 -0.3334 0.3226 -0.9944]",{},"[ 0.5973 -0.7004 -0.4047 0.5517 0.1555 0.4734 -0.1917 -0.7204 0.2565 -0.1543 -0.5046 -0.6105 0.058 0.3016 0.9922 0.7668 -0.3097 -0.4768 0.7914 0.2846 0.4542 0.7049 -0.3834 0.3122 -0.0855 0.6204 0.4787 -0.113 -0.1156 0.4425 -0.1993 1.3566 -0.0924 0.1492 -0.3404 -0.2736 -0.4371 0.8564 0.2779 -0.6909 0.0358 -0.5516 -0.0608 0.6841 -0.2038 -0.2017 -0.4816 0.0505 -0.2232 -0.2228 -1.0262 -0.7769 0.4295 0.3298 0.1704 -0.2595 0.3333 -0.3197 -0.2389 -0.7971 -1.2418 -0.0316 0.7734 0.3196 0.1512 -0.0287 -0.3678 0.5303 0.0906 -0.4338 -0.7034 0.1121 -1.1206 0.0588 0.7157 0.0578 0.6523 -0.3952 -0.4481 -0.3866 -0.1151 0.4519 0.8128 -0.1083 -0.5807 0.2991 -0.296 -0.0771 -0.1274 0.2566 -0.329 -0.469 0.2711 -0.3552 -0.866 0.1865 -0.9133 -0.6131 0.2279 -0.0446 0.0564 -0.1016 -0.1477 -0.0993 0.388 0.7589 0.3167 0.2767 0.1379 -0.4131 1.4464 0.6545 -0.4709 0.81 -0.8488 -1.3436 -0.0166 -0.4409 -0.3707 0.6081 0.0617 -0.3313 0.1954 0.0114 -0.1714 -0.0688 -0.234 -0.347 -0.3117 0.3669 -0.0418 0.1694 -0.1039 -0.1178 -0.2226 0.4129 -0.4669 0.6057 0.2466 0.424 0.6349 -0.7408 -0.505 -0.2936 -0.0887 0.4133 -0.3018 0.0756 -0.2653 0.3181 -0.2255 -0.0603 -0.3748 0.3942 -0.2098 -0.1757 0.1497 0.2973 0.5058 -0.3833 0.172 0.2046 -0.1933 0.3317 0.1716 0.1686 -0.2996 0.7517 0.188 0.1117 0.1414 -0.0881 0.1446 -0.3128 0.2385 -0.0057 -0.8019 -0.4087 0.5603 -0.0972 -0.3527 -0.0712 0.486 0.1334 0.1309 0.2559 -0.0391 0.4604 -0.0379 -0.1712 0.1576 0.444 -0.3731 0.5888 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[*]CC=CC[Si]([*])(c1ccccc1)c1ccccc1,,*C/C=C/C[Si](*)(c1ccccc1)c1ccccc1,308.05,GREA,308.05,,1,0.0,black,12,6.0,6,6,2,3.0,3.0,3.0,6.0,1.0,1,1,2,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,7,1,2.7771492902446893,0,0,3,0,0,0,0.0,0.0,0,0.0,84.03952679,3,2,2.4228395061728394,12.967832976607095,2.0,0,0,0,0,5,1,0,0,0,0.4285714285714285,3,2.4134949246598403,0,0,5,2,0,2,0.0,0.0,0,10.373451291374916,236.102127,3,14,2.492283950617284,12.967832976607095,0.8823529411764706,0,0,0,0,7,1,0,0,6,0.1578947368421052,3,Polysiloxanes,Polysiloxanes/silanes,"[-0.015 -0.4537 -0.6383 0.7597 0.9143 0.5781 0.089 -0.9181 -0.4539 0.2821 0.3795 -0.4157 0.6752 -0.3797 0.7383 0.3867 0.0122 -0.4893 0.7021 -0.0237 1.4884 0.3145 0.2953 -0.2128 -0.6648 0.5498 2.1509 -0.4762 0.1443 0.4245 -1.3248 0.5107 0.8424 0.6005 -1.4732 -0.3337 0.7866 1.3635 -0.2634 -0.8912 1.3071 -0.6555 0.8153 1.5048 -1.1138 0.7863 -1.4195 -0.9499 -0.3816 0.0757 -1.6438 -1.5219 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[*]CCC(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC([*])C,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCC(*)C,177.15,GREA,177.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,25,1,4.8591691150678535,0,5,12,0,0,0,46.150000000000006,0.0,0,0.0,396.1639803719999,23,0,6.495684681279919,92.2789724,0.7391304347826086,0,0,0,0,24,0,0,0,0,0.44,11,4.8591691150678535,0,5,12,0,0,0,46.150000000000006,0.0,0,0.0,396.1639803719999,23,0,6.495684681279919,92.2789724,0.7391304347826086,0,0,0,0,24,0,0,0,0,0.44,11,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-6.0936e-02 7.5622e-01 6.8865e-01 -8.1143e-02 -6.2656e-01 8.9733e-04 1.0136e+00 -5.8656e-01 5.0691e-01 5.3876e-02 3.9561e-01 -1.8924e+00 2.8726e-01 -2.1743e-01 -7.0912e-01 1.5312e-01 1.0210e-01 5.6322e-01 8.9344e-02 -6.4008e-01 1.4341e+00 -6.0936e-01 -5.7254e-01 2.9497e-01 -1.0240e+00 4.7297e-01 7.6811e-02 -5.1770e-01 -4.5374e-01 9.0042e-01 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[*]CCC(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC([*])C,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCC(*)C,167.15,GREA,167.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,29,1,5.032876305438534,0,6,14,0,0,0,55.38000000000001,0.0,0,0.0,470.1827717139999,27,0,6.576260314310909,105.37299511106995,0.6296296296296297,0,0,0,0,28,0,0,0,0,0.4482758620689655,13,5.032876305438534,0,6,14,0,0,0,55.38000000000001,0.0,0,0.0,470.1827717139999,27,0,6.576260314310909,105.37299511106995,0.6296296296296297,0,0,0,0,28,0,0,0,0,0.4482758620689655,13,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[ 1.2098e-03 9.4379e-01 1.0048e+00 -2.2104e-01 -5.3573e-01 2.2386e-01 9.9811e-01 -4.3870e-01 1.6106e-01 4.5469e-03 3.3371e-01 -1.8684e+00 3.7506e-02 -2.8309e-01 -7.8070e-01 2.2312e-01 -1.7548e-01 4.9717e-01 3.5235e-01 -3.0902e-01 1.3293e+00 -8.0947e-01 -7.1272e-01 6.6408e-01 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[*]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(CCC(F)(F)F)O[Si]([*])(C)CCC(F)(F)F,,*O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,262.15,GREA,262.15,,1,0.0,black,12,6.0,6,6,2,2.25,1.5,3.0,4.5,2.0,1,3,4,1,6.336979745341138,0,0,0,0,0,0,0.0,0.0,0,0.0,196.0686696,12,0,21.569444444444443,39.041714680120215,2.6666666666666665,6,6,0,0,10,0,0,0,0,1.0,6,41,1,6.8439446233533205,0,1,16,0,0,0,9.23,0.0,0,0.0,660.0420326,39,0,13.955704248489743,98.12879061076706,0.4871794871794871,20,20,0,0,40,0,0,0,0,0.6097560975609756,25,7.006529544962438,0,1,20,0,0,0,9.23,0.0,0,0.0,852.0794021040001,51,0,14.61859788439875,135.41122244533898,0.392156863,26,26,0,0,52,0,0,0,0,0.5849056603773585,31,Polysiloxanes,Polysiloxanes/silanes,"[-0.7292 0.1179 1.1281 0.7185 0.0932 0.8951 -0.1094 -0.0972 -0.5053 -0.0468 -0.8649 -0.8706 -0.5351 -0.0864 -1.1369 -0.4267 -0.9916 -0.3675 -0.461 0.4604 -0.2537 -0.5781 -1.0394 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1.1011 -0.8756 -1.0415 0.5715 1.7303 -1.2108 -0.4152 -1.0154 -1.1263 1.1101 1.6222 1.0126 -0.3852 0.4414 0.6231 0.0927 -0.1621 1.1116 1.1282 -1.2381 -0.1672 -0.857 -1.6405 -0.6434 -1.3645 -1.0696 -2.9137 1.2668 0.5935 -0.0913 -0.244 -0.5625 -0.678 1.1867 0.5226 -1.0493 0.2907 1.0932 0.2105 0.2243 0.009 0.4635 -0.584 -0.701 0.1441 0.6743 0.0362 -0.0986 -0.9583 0.2904 -0.8193 0.6812 -0.5407 -0.5091 0.2795 0.2646 1.8161 -0.0469 1.8764 0.5576 0.4217 -1.0635 -0.7598 0.3335 0.4932 -0.3931 0.0616 0.7804 -0.3729 0.3165 0.6155 0.0293 0.611 -0.9884 -0.5901 -0.1575 -0.5899 0.8488 -1.0652 -0.0591 0.8839 -0.7217 0.5706 -1.09 0.5255 -0.3026 0.3547 0.6772 0.0236 0.0793 0.8816 -0.1764 0.7359 0.6854 0.53 0.0056 -1.8939]",{},"[-0.0373 0.1473 0.3232 0.4563 0.2979 0.3866 -0.103 0.1284 -0.046 0.3813 -0.6041 -0.3483 -0.208 0.0288 -0.1881 0.2681 -0.3847 -0.3812 -0.1095 0.4052 -0.3945 -0.1505 -0.2851 0.4843 0.5215 0.1573 -0.3983 0.0865 0.0484 -0.2218 -0.0076 0.1011 -0.3087 0.3524 0.3315 0.063 -0.2012 -0.2492 0.1412 0.1058 -0.0405 -0.0906 0.1361 0.3699 -0.3718 0.5359 0.2762 -0.6648 0.0113 0.6437 0.1235 -0.6216 -0.1598 0.186 0.2552 0.2057 0.4399 0.0888 0.153 0.0013 -0.1189 0.0377 0.7606 -0.2185 -0.2285 0.0539 0.2878 -0.102 -0.0973 0.246 0.055 -0.034 -0.1812 -0.6584 -0.1677 -0.637 0.2953 -0.294 0.2362 0.1862 0.7802 -0.4308 -0.1084 -0.1644 0.2538 0.2502 0.126 0.1359 -0.3586 0.3382 0.2335 0.511 -0.1113 -0.148 -0.2121 -0.3865 0.6415 -0.3686 0.0749 -0.328 0.2903 -0.2204 -0.0061 0.5105 -0.3781 0.0657 0.2598 0.0059 0.2022 -0.0508 -0.3188 -0.1127 -0.1024 0.076 -0.5331 -0.3233 0.1013 -0.525 -0.0077 0.0829 -0.08 -0.2765 -0.171 0.269 0.1412 -0.0665 -0.1628 -0.0502 -0.8061 0.4413 0.1962 0.2043 0.3001 0.2504 -0.1208 -0.5818 -0.0291 0.869 -0.0966 -0.3442 0.0476 -0.0394 -0.75 0.1751 -0.3317 0.2056 -0.3741 -0.1413 -0.1397 0.1855 0.2707 0.0488 -0.307 0.1846 -0.3274 0.1666 0.6846 0.232 0.1076 0.3349 -0.3507 -0.3581 0.0963 0.4086 -0.4403 -0.2787 0.1414 0.3498 -0.0946 0.5997 0.1266 0.331 0.1564 -0.0098 -0.1718 0.0667 0.0689 0.3297 -0.3261 -0.2275 -0.4077 0.0681 -0.0625 -0.0686 -0.2906 -0.5773 0.4817 -0.1039 0.5675 -0.0588 -0.2861 -0.2477 -0.2152 0.5781 0.0401 0.0861 0.228 0.0994 0.1748 0.1956 0.1607 -0.1977 -0.0127 0.1602 0.1209 0.0799 -0.0161 -0.1874 0.2862 -0.143 0.1868 -0.5782 -0.2516 -0.175 0.3931 0.0538 -0.0758 0.435 -0.02 0.034 -0.4785 -0.4493 0.0253 -0.2353 -0.0232 -0.4317 0.164 -0.0269 -0.0442 0.3743 -0.1835 0.6193 -0.5819 -0.5327 -0.0542 -0.4791 -0.3543 -0.4278 -0.0249 -0.0354 -0.5764 0.3049 -0.4966 0.4851 -0.3111 0.0571 -0.0712 0.2852 -0.1551 0.0097 -0.1762 0.4066 -0.0347 0.2072 0.2237 -0.4617]" [*]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(CCC(F)(F)F)O[Si]([*])(C)CCC(F)(F)F,,*O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,245.15,GREA,245.15,,1,0.0,black,12,6.0,6,6,2,2.25,1.5,3.0,4.5,2.0,1,3,4,1,6.336979745341138,0,0,0,0,0,0,0.0,0.0,0,0.0,196.0686696,12,0,21.569444444444443,39.041714680120215,2.6666666666666665,6,6,0,0,10,0,0,0,0,1.0,6,35,1,6.446359683650504,0,1,14,0,0,0,9.23,0.0,0,0.0,560.0484197119999,33,0,13.870307372776937,86.28373227457791,0.5757575757575758,16,16,0,0,34,0,0,0,0,0.6,21,6.706570468,0,1,18,0,0,0,9.23,0.0,0,0.0,752.0857892240001,45,0,14.543328166742668,123.56616410914984,0.4444444444444444,22,22,0,0,46,0,0,0,0,0.574468085,27,Polysiloxanes,Polysiloxanes/silanes,"[-0.6549 0.042 1.5698 0.7762 0.5149 0.5849 -0.0473 -0.0651 -0.6677 -0.287 -0.913 -1.0866 -0.3747 0.5065 -0.925 -0.8847 -1.0276 -0.701 -0.4717 0.4061 -0.5967 -0.7583 -1.0285 0.6934 0.6695 -0.0916 -0.4929 -0.0858 -0.0265 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-1.4149 0.0219 -0.9742 -0.978 1.0949 1.5353 0.6151 -0.7539 0.4086 1.0477 0.1402 -0.3923 0.9065 1.1321 -1.0883 -0.3463 -0.8306 -0.9567 -0.3431 -0.7985 -1.2599 -2.7671 1.2543 0.7636 -0.2817 -0.014 -0.3051 -0.5107 1.6605 0.9068 -0.6939 0.8134 1.1423 0.2487 0.3925 -0.1485 0.256 -0.0816 -0.8133 0.6903 0.7413 -0.0256 -0.1652 -1.0543 0.4615 -0.3352 0.5872 -0.3648 -0.4074 0.2294 -0.2126 1.8247 0.0068 0.9181 0.7023 0.0494 -1.0568 -0.7609 0.4826 0.5992 -0.4122 0.5089 0.5551 -0.0669 0.0853 0.573 0.3102 0.2959 -1.0195 -0.4054 -0.2694 -0.2627 0.5573 -1.0174 -0.3558 0.8559 -0.4566 0.4564 -1.1996 0.7478 -0.3919 -0.2474 0.8038 0.0196 0.3699 0.7845 -0.3206 0.6936 1.0625 0.6227 0.1382 -2.0179]",{},"[ 0.086 0.0463 0.7288 0.6008 0.435 0.4617 0.0425 0.5517 -0.4026 0.075 -0.488 -0.4979 0.0563 0.3367 -0.2869 -0.2066 -0.4642 -0.5438 -0.4121 0.2337 -0.5404 -0.5314 -0.346 0.2315 0.3277 0.1797 -0.464 0.0621 -0.0288 -0.3427 -0.0244 -0.1166 -0.4087 0.3347 0.0991 0.0899 -0.0543 -0.2097 0.2101 -0.1018 0.0205 0.1999 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-0.3393 -0.5298 -0.1882 -0.0734 -0.2196 -0.3856 -0.653 0.4543 -0.0056 0.618 -0.0708 -0.1087 0.024 -0.0626 0.8512 -0.1421 0.3145 0.4947 -0.1845 0.3381 0.1812 0.0454 -0.4633 -0.1654 0.2588 0.0202 0.0821 0.3059 -0.2875 0.3223 -0.1959 0.1224 -0.4528 -0.2213 -0.0981 0.2262 -0.2513 -0.1388 0.0611 -0.0275 -0.0539 -0.6137 -0.6763 -0.3642 -0.3223 0.3953 -0.2018 0.175 0.1595 0.0908 0.5381 -0.2775 0.6889 -0.5467 -0.4715 0.1414 -0.3463 -0.5349 0.1191 -0.0866 0.2391 -0.7164 -0.0381 -0.4475 0.4551 -0.4698 -0.3531 0.0378 0.211 -0.0513 0.0186 -0.1423 0.517 0.1173 -0.028 0.4536 -0.3318]" [*]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si]([*])(C)CCC(F)(F)F,,*O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,230.15,GREA,230.15,,1,0.0,black,24,6.0,6,6,4,1.5625,0.75,3.0,6.25,4.0,1,7,16,1,12.673959490682275,0,0,0,0,0,0,0.0,0.0,0,0.0,392.1373393,24,0,43.138888888888886,78.08342936024043,5.333333333333333,12,12,0,0,20,0,0,0,0,2.0,12,35,1,5.564302256803866,0,3,16,0,0,0,27.69,0.0,0,0.0,580.0610894,33,0,14.07105088569795,87.53269664575093,0.6060606060606061,12,12,0,0,34,0,0,0,0,0.6,21,7.362273922861994,0,3,24,0,0,0,27.69,0.0,0,0.0,964.1358284,57,0,15.029422402607302,162.0975603148948,0.3684210526315789,24,24,0,0,58,0,0,0,0,0.559322034,33,Polysiloxanes,Polysiloxanes/silanes,"[-0.7041 0.1426 1.1984 0.5646 0.1648 0.8545 0.1305 0.0322 -0.7089 0.1607 -0.8873 -1.0692 -0.3681 0.2559 -0.874 -0.5118 -0.7096 -0.5559 -0.6117 0.6922 -0.3373 -0.6267 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[*]CCCC(=O)Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)CCC[Si](C)(C)O[Si]([*])(C)C)cc3)cc2)cc1,,*O[Si](C)(C)CCCC(=O)Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)CCC[Si](*)(C)C)cc3)cc2)cc1,333.15,GREA,333.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,43,1,1.4418752312232423,0,7,15,3,0,3,86.55,0.0,0,9.473725907600098,586.2319254,13,28,12.333702702314898,64.83916488303548,0.7317073170731707,0,0,0,0,23,4,0,0,6,0.2558139534883721,11,1.4418752312232423,0,7,15,3,0,3,86.55,0.0,0,9.473725907600098,586.2319254,13,28,12.333702702314898,64.83916488303548,0.7317073170731707,0,0,0,0,23,4,0,0,6,0.2558139534883721,11,Polyesters,"Polyesters/thioesters, Polyimines, Polysiloxanes/silanes","[-6.7602e-01 4.6727e-02 -1.0545e-01 -2.2426e-01 -7.2854e-01 8.2917e-01 -5.8373e-01 4.8433e-01 -3.4237e-01 1.1201e-01 -5.0125e-01 -2.7777e-01 5.9450e-02 7.5080e-03 7.7596e-01 -8.8854e-01 2.1357e-01 -1.0922e-01 -7.7392e-02 7.9827e-01 1.0082e-01 -5.4293e-01 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[*]CCCC(=O)Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(OC(=O)CCC[Si](C)(C)O[Si]([*])(C)C)cc4)cc3)cc2)cc1,,*O[Si](C)(C)CCCC(=O)Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(OC(=O)CCC[Si](*)(C)C)cc4)cc3)cc2)cc1,341.15,GREA,341.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,50,1,1.2012814062628108,0,7,17,4,0,4,86.55,0.0,0,9.473725907600098,676.2788756,14,34,12.395890394726573,71.25998650596149,0.6666666666666666,0,0,0,0,25,4,0,0,6,0.22,11,1.2012814062628108,0,7,17,4,0,4,86.55,0.0,0,9.473725907600098,676.2788756,14,34,12.395890394726573,71.25998650596149,0.6666666666666666,0,0,0,0,25,4,0,0,6,0.22,11,Polyesters,"Polyesters/thioesters, Polyimines, Polysiloxanes/silanes","[-0.7712 0.2946 -0.2287 -0.2696 -0.7505 1.1504 -0.4963 0.2794 -0.0655 0.447 -0.7418 -0.0806 -0.5907 -0.0722 0.5232 -0.6972 0.2487 -0.1816 0.0135 0.8206 0.1916 -0.3063 -0.3801 0.4382 0.1378 1.105 0.5728 0.3101 -0.0199 0.4045 0.117 0.5164 0.9269 0.1649 -0.8424 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[*]CCCCC(C)O[Si](C)(C)O[Si](C)(C)OC([*])C,,*O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC(*)C,186.15,GREA,186.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,19,1,4.217523664000217,0,3,10,0,0,0,27.69,0.0,0,0.0,276.1576978,17,0,6.2987638573948095,78.93257023483547,1.0588235294117647,0,0,0,0,18,0,0,0,0,0.3684210526315789,7,4.217523664000217,0,3,10,0,0,0,27.69,0.0,0,0.0,276.1576978,17,0,6.2987638573948095,78.93257023483547,1.0588235294117647,0,0,0,0,18,0,0,0,0,0.3684210526315789,7,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[ 1.7314e-01 8.7735e-01 8.7530e-01 1.5518e-01 -7.5699e-01 2.5775e-01 6.7407e-01 -7.0673e-01 4.2125e-01 5.7862e-01 1.2733e+00 -1.6993e+00 -4.4324e-01 -2.0886e-01 -5.8394e-01 2.4437e-01 4.7858e-03 7.7080e-01 1.5050e-01 -6.9837e-01 1.3744e+00 -6.5136e-01 -4.5607e-01 3.7993e-01 -8.6067e-01 5.7270e-01 4.8858e-01 -2.3726e-01 3.3896e-02 9.1202e-01 -1.0553e+00 3.3882e-01 5.2543e-01 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[*]CCCCC(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC([*])C,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC(*)C,179.15,GREA,179.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,23,1,4.542145029,0,4,12,0,0,0,36.92,0.0,0,0.0,350.1764891579999,21,0,6.440512251196775,92.02659294219764,0.8571428571428571,0,0,0,0,22,0,0,0,0,0.391304348,9,4.542145029,0,4,12,0,0,0,36.92,0.0,0,0.0,350.1764891579999,21,0,6.440512251196775,92.02659294219764,0.8571428571428571,0,0,0,0,22,0,0,0,0,0.391304348,9,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[ 0.0998 0.5999 0.8206 -0.0238 -0.5869 0.0897 0.8154 -0.4884 0.396 0.0575 1.0058 -1.9004 -0.0578 -0.2442 -0.679 0.2745 -0.0471 0.6277 0.184 -0.46 1.2973 -0.8061 -0.5774 0.2788 -0.8392 0.3551 0.2038 -0.2323 -0.1652 0.9101 -0.9505 0.3389 0.2186 0.1109 -1.2094 0.2956 -0.2817 -0.1405 -0.5644 0.4091 0.138 -0.6656 0.1287 0.3663 -0.5137 0.7935 -1.5258 -0.4104 0.0049 0.2375 -1.7508 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[*]CCCCC(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC([*])C,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC(*)C,175.15,GREA,175.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,27,1,4.783372253602376,0,5,14,0,0,0,46.150000000000006,0.0,0,0.0,424.1952804999999,25,0,6.530172999,105.1206156495598,0.72,0,0,0,0,26,0,0,0,0,0.4074074074074074,11,4.783372253602376,0,5,14,0,0,0,46.150000000000006,0.0,0,0.0,424.1952804999999,25,0,6.530172999,105.1206156495598,0.72,0,0,0,0,26,0,0,0,0,0.4074074074074074,11,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[ 0.0207 1.0099 0.8061 0.1034 -0.5961 0.3646 0.8738 -0.6696 0.1104 -0.1392 0.7352 -1.9905 0.1085 -0.6098 -1.2133 0.2266 -0.2832 0.5964 0.1303 -0.4438 1.3348 -0.8998 -0.4915 0.5974 -0.9282 0.6123 0.3408 -0.0978 0.0406 0.8265 -0.7936 0.2161 -0.0748 -0.201 -1.0133 0.48 -0.2348 -0.0698 -0.4342 0.716 -0.0617 -0.6219 0.2337 0.327 -0.7251 0.53 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[*]CCCCC(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC([*])C,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC(*)C,169.15,GREA,169.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,31,1,4.968104784216996,0,6,16,0,0,0,55.38000000000001,0.0,0,0.0,498.2140718419999,29,0,6.610748632,118.21463835692198,0.6206896551724138,0,0,0,0,30,0,0,0,0,0.4193548387096774,13,4.968104784216996,0,6,16,0,0,0,55.38000000000001,0.0,0,0.0,498.2140718419999,29,0,6.610748632,118.21463835692198,0.6206896551724138,0,0,0,0,30,0,0,0,0,0.4193548387096774,13,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-7.0221e-03 9.0395e-01 8.3977e-01 -1.5116e-01 -4.4015e-01 -1.5974e-02 8.0182e-01 -4.9366e-01 1.6020e-01 -4.8239e-02 2.2563e-01 -2.0711e+00 -2.5125e-01 -5.1120e-01 -9.5629e-01 2.3278e-02 -3.8781e-01 3.1651e-01 3.7049e-01 -7.1633e-01 1.4041e+00 -1.1106e+00 -7.4874e-01 6.4427e-01 -7.1667e-01 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[*]CCCCCn1c(=O)c2cc3c(=O)n(CCCCCC(=O)Oc4ccc(OC([*])=O)cc4-c4ccccc4)c(=O)c3cc2c1=O,,*CCCCCC(=O)Oc1ccc(OC(=O)CCCCCn2c(=O)c3cc4c(=O)n(*)c(=O)c4cc3c2=O)c(-c2ccccc2)c1,355.15,GREA,355.15,,1,0.0,black,6,6.0,6,6,1,1.0,1.0,1.0,1.0,5.0,5,5,5,1,3.000000000000001,0,0,0,1,0,1,0.0,0.0,0,0.0,78.04695019,0,6,2.0,0.0,0.3333333333333333,0,0,0,0,0,0,0,0,6,0.0,0,40,1,1.351675702213857,0,10,13,4,0,4,130.73999999999998,0.5,2,31.71079348780813,518.1689157919999,10,28,12.98176080768336,64.95900137199784,0.6578947368421053,0,0,0,0,17,6,0,2,6,0.3,12,1.2121000730255551,0,10,14,5,0,5,130.73999999999998,0.4,2,31.710793487808125,594.2002159199999,10,34,13.130629910510226,64.95900137199784,0.6590909090909091,0,0,0,0,18,6,0,2,6,0.2608695652173913,12,Polyimides,"Polyimides/thioimides, Polyesters/thioesters","[ 1.9806e-01 -3.5627e-01 -5.9905e-01 7.7708e-01 -4.8746e-01 -5.7849e-01 1.9099e-01 -1.3433e+00 2.6354e-01 2.6523e-01 8.4548e-01 1.3846e+00 -8.3173e-01 -5.3207e-01 5.6130e-01 -3.0683e-01 1.3110e-01 -6.7851e-01 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[*]CCC[Si]([*])(c1cccc2ccccc12)C1CCCCC1,,*CCC[Si](*)(c1cccc2ccccc12)C1CCCCC1,320.65,GREA,320.65,,1,0.0,black,16,8.0,10,6,2,4.0,3.0,5.0,8.0,1.0,1,1,2,2,4.888051601657992,0,0,0,3,1,2,0.0,0.5,0,0.0,212.1565006,6,10,3.62037037,38.524929737556064,0.8333333333333333,0,0,0,0,6,0,0,1,12,0.0,0,6,1,2.3390923149762908,0,0,3,0,0,0,0.0,0.0,0,0.0,72.03952679,4,0,1.7256944444444444,19.388654599533105,2.25,0,0,0,0,5,0,0,0,0,0.5,3,2.063794110884847,0,0,5,3,1,2,0.0,0.3333333333333333,0,5.186725645687458,280.1647273,10,10,2.553961010330058,57.03394291431502,1.05,0,0,0,0,13,0,0,1,6,0.1363636363636363,3,Polysiloxanes,Polysiloxanes/silanes,"[ 0.2103 -1.0179 0.0601 1.5383 -0.0577 0.5084 0.4158 -0.698 -0.335 0.6298 1.2003 -0.4118 -0.2805 -0.3759 0.744 1.1274 0.0421 0.2317 0.6049 -0.0151 1.2689 0.5939 0.4939 -0.0145 -1.0279 0.5654 1.6655 0.5063 0.4166 0.8427 -0.4919 0.6632 0.7199 0.3181 -1.624 -0.7331 0.5611 0.5348 -0.0368 -1.0679 0.981 -1.8559 0.826 0.6334 -0.8326 1.2534 -1.4575 -0.9982 -0.1614 0.288 -1.3435 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0.079 -0.7268 0.8936 -0.212 -1.2032 0.4091 1.0026 0.2368 -0.1489 0.9682 0.4627 0.7588 1.445 -0.4802 -0.5576 0.8806 -1.4765 0.0826 -1.0012 0.06 -0.2315 -0.1875 0.6484 1.5615 -0.0096 1.635 0.0187 -0.6939 0.1001 -0.1403 -0.0635 0.9874 -0.9011 -1.1029 0.7403 -0.636 0.412 0.845 -0.4297 1.6797 0.1316 0.6057 -1.0232 0.2372 0.3077 0.8664 -0.1458 1.2271 0.2904 -0.7434 0.6608 1.2308 -0.0091 1.4604 0.3563 0.5113 0.6781 -1.2312 0.5181 1.3767 1.1553 -0.5492 -0.4005 0.5973 0.9209 0.5229 0.1938 -0.1318 -0.4934 0.299 -1.246 ]",{},"[ 0.2644 -0.1783 0.4014 0.8676 0.1056 0.1679 -0.3845 -0.1204 0.0536 0.1892 0.1343 -0.195 -0.5669 0.0612 0.6561 -0.2154 -0.3887 -0.0458 0.5563 0.2229 0.1407 0.8035 0.3213 -0.0573 0.0419 0.1418 0.4261 0.8417 -0.3089 1.0288 0.0612 0.3691 -0.698 0.2988 -0.6312 -0.6902 -0.0715 0.3341 0.2335 -1.1361 0.4992 -0.8724 0.3545 0.15 -0.0216 0.4631 -1.1492 -0.5501 -0.5438 0.6619 -0.5043 -0.5827 -0.487 0.5855 0.073 -0.095 -0.0338 -0.3805 -0.5418 -0.4349 -0.6514 -0.5235 0.4462 -0.0919 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[*]CCC[Si]([*])(c1ccccc1)c1ccc(N(C)C)cc1,,*CCC[Si](*)(c1ccccc1)c1ccc(N(C)C)cc1,325.15,GREA,325.15,,1,0.0,black,15,7.5,9,6,2,3.75,3.0,4.5,7.5,1.0,1,1,2,2,5.848234050597752,0,1,1,2,0,2,3.24,0.0,0,4.899909730850478,199.1360995,2,13,4.083333333333334,0.0,1.3333333333333333,0,0,0,0,3,0,0,0,12,0.1111111111111111,1,6,1,2.3390923149762908,0,0,3,0,0,0,0.0,0.0,0,0.0,72.03952679,4,0,1.7256944444444444,19.388654599533105,2.25,0,0,0,0,5,0,0,0,0,0.5,3,2.3963505038778914,0,1,6,2,0,2,3.24,0.0,0,15.273361022225394,267.1443262,6,13,2.4343124842529607,19.388654599533105,1.0,0,0,0,0,10,0,0,0,6,0.1904761904761904,4,Polysiloxanes,Polysiloxanes/silanes,"[-0.7377 0.5857 -0.0357 0.8753 0.716 0.4387 0.347 -0.529 0.1306 0.0911 0.4997 -0.4738 0.3616 -0.1816 0.3607 0.6558 0.2531 0.4063 1.408 -0.7291 1.4444 -0.6226 -0.0133 -0.2395 -0.6655 0.3987 1.7358 -0.6926 -0.0234 0.8168 -1.5333 -0.345 0.836 0.4528 -1.2431 -0.4855 0.4474 0.9741 0.5352 -0.434 0.4057 -1.2323 1.2211 0.912 -0.9487 1.148 -1.0102 -1.1643 -0.1138 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0.4462 -0.6631 0.0074 0.5026 0.05 0.4201 0.0033 -0.5994 -0.1612 0.1366 -1.0805 -0.487 0.1907 -0.4272 0.1914 -0.7878 -0.444 -0.2714 -0.7137 0.5244 -0.118 -0.2599 -1.3217 -0.494 -0.117 -0.5117 0.2093 -0.1789 -0.3873 -0.583 -0.1223 0.6453 0.0277 0.2241 -0.5566 -0.0506 0.3515 0.1412 -0.1203 -0.0922 0.2966 -0.2992 0.6016 0.4879 0.2224 -0.3297 0.5938 -0.1878 1.1721 -0.0339 -0.2051 -0.5819 -0.9306 -0.5341 0.0249 0.2979 0.3718 0.5132 -0.4475 -0.1221 -0.1611 0.7497 -0.0319 -0.3292 0.5244 0.6479 0.2228 -0.2211 -0.1394 -0.4909 0.097 0.1587 -0.0602 0.2117 -0.7175 0.4 -0.2565 0.4377 0.6711 0.3081 -0.693 0.2886 0.0842 0.8195 0.1569 0.7505 0.3183 0.0336 -1.0676 -0.1821 -0.1582 -0.0051 0.1852 -0.261 0.4955 -0.1943 -0.0322 -0.0715 -0.0158 -0.104 -0.4253 0.1781 0.6818 0.0308 -0.718 -0.3055 0.2291 0.0744 0.0834 0.1512 -0.0486 0.016 -0.0199 -0.3379 0.1919 -0.7022 0.14 0.6615 -0.3267 -0.2924 -0.0255 -0.0541 0.5304 -0.2292 -0.4943 0.4527 0.5682 0.0697 -0.6001 0.4223 -0.1948 -0.1087 0.1909 0.6293 -0.7832 0.3284 0.0795 0.1445 0.1957 0.418 0.2497 0.3905 -0.7706 0.3416 0.3967 -0.413 -0.15 0.2561 0.319 -0.0806 -0.581 0.2166 -0.228 0.4837 0.4514 0.1375 -1.0527 0.9528 -0.238 -0.2626 0.6745 -0.7221 -0.0453 0.1622 0.1017 -0.0762 0.2685 0.212 -0.2771 -0.0518 -0.1796 -0.0278 0.0924 -0.1911 0.1357 0.2501 0.4204 -0.038 -0.3105 -0.0883 -1.0109 0.0885 -0.0767 0.4273 -0.2234 -0.5149 0.2221 0.4924 0.0257 -0.3871 -0.0763 -0.1072 -0.4165 -0.679 ]" [*]CCCn1c(=O)c2cc3c(=O)n(CCCC([*])(C)C)c(=O)c3cc2c1=O,,*CCCC(C)(C)CCCn1c(=O)c2cc3c(=O)n(*)c(=O)c3cc2c1=O,408.15,GREA,408.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,27,1,2.1183434784662034,0,6,7,3,0,3,78.14,0.6666666666666666,2,22.23706758020803,340.1423071,9,16,12.723462359499967,59.04109532583644,0.84,0,0,0,0,11,4,0,2,6,0.2962962962962963,8,2.1183434784662034,0,6,7,3,0,3,78.14,0.6666666666666666,2,22.237067580208027,340.1423071,9,16,12.723462359499967,59.04109532583644,0.84,0,0,0,0,11,4,0,2,6,0.2962962962962963,8,Polyimides,Polyimides/thioimides,"[ 6.8586e-01 -5.2549e-01 2.2059e-01 1.6448e+00 -5.3663e-01 1.9249e-01 8.8106e-01 -1.4310e+00 2.2294e-01 -1.5077e-02 1.4278e+00 8.2353e-01 -1.0218e+00 5.4290e-02 6.8083e-01 -2.5273e-01 1.0837e-01 -7.4312e-01 -3.5177e-02 -9.2675e-01 9.9759e-01 -9.2569e-01 3.4043e-01 3.1041e-01 -1.8347e-01 1.3226e-01 1.6925e+00 1.2575e+00 1.1381e+00 1.7771e-01 8.3880e-01 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[*]CNC(=O)c1ccc(C(=O)NCc2cc(C)c([*])cc2C)cc1,,*Cc1cc(C)c(CNC(=O)c2ccc(C(=O)N*)cc2)cc1C,498.15,GREA,498.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,24,1,2.0250731170395704,2,2,5,2,0,2,58.2,0.0,0,16.699944276474273,294.1368278,4,18,12.298709293902746,20.392230805293824,1.0,0,0,0,0,11,2,0,0,6,0.25,6,2.0250731170395704,2,2,5,2,0,2,58.2,0.0,0,16.699944276474273,294.1368278,4,18,12.298709293902746,20.392230805293824,1.0,0,0,0,0,11,2,0,0,6,0.25,6,Polyamides,Polyamides/thioamides,"[-2.0805e+00 1.1732e+00 -4.9269e-02 1.3937e+00 -1.4928e+00 1.0108e+00 9.0126e-01 3.0583e-01 -6.5089e-01 -1.0526e+00 2.2994e+00 -5.5282e-01 -1.2216e+00 -2.2337e+00 -6.0903e-01 1.9177e-01 -1.6998e-01 8.4852e-01 8.2105e-02 -6.0310e-01 2.1131e-01 7.3982e-01 1.2460e+00 -8.0729e-01 -1.3093e+00 2.2154e-01 7.1041e-01 -9.2805e-01 -8.9877e-02 2.3169e-01 -5.7847e-01 -1.4403e+00 2.6943e-01 -1.3289e+00 -3.5304e+00 3.2765e-01 3.6448e-01 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[*]COC(=O)OCC(OC(=O)C(=O)OCC)C([*])OC(=O)C(=O)OCC,,*CC(OC(=O)C(=O)OCC)C(COC(=O)O*)OC(=O)C(=O)OCC,326.95,GREA,326.95,,1,0.0,black,16,8.0,8,8,2,3.333333333333333,2.6666666666666665,4.0,6.666666666666666,1.5,1,2,3,1,6.980906133204307,2,6,2,0,0,0,127.2,0.0,0,0.0,236.0532173,4,12,19.842129629629632,13.847474399381248,3.25,0,0,0,0,10,4,0,0,0,1.0,8,10,1,3.052375189045708,0,3,4,0,0,0,35.53,0.0,0,0.0,116.0473441,4,4,10.533837868480726,13.344558822616634,1.625,0,0,0,0,8,1,0,0,0,0.5,5,4.955574694766579,0,11,8,0,0,0,140.73,0.0,0,0.0,348.06926133199994,8,16,11.67753948147211,26.558322751642468,0.8333333333333334,0,0,0,0,20,5,0,0,0,0.5,13,Polycarbonates,Polycarbonates/thiocarbonates,"[-8.3127e-01 4.5673e-02 -1.0407e+00 -4.0194e-01 -1.0212e+00 -1.7157e+00 -3.3298e-01 5.9002e-02 5.9346e-01 4.5372e-01 -9.7857e-01 -1.0473e+00 6.3440e-01 -8.0383e-01 -4.8593e-01 1.0729e+00 6.7540e-02 5.7863e-01 -1.3222e+00 3.8652e-01 -6.1204e-02 4.5909e-01 -1.7584e-01 5.6960e-01 -2.2081e-01 -1.1100e-01 -6.7450e-01 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[*]COC(=O)OCC(OC(=O)Oc1ccc(C(=O)OC)cc1)C([*])OC(=O)Oc1ccc(C(=O)OC)cc1,,*CC(OC(=O)Oc1ccc(C(=O)OC)cc1)C(COC(=O)O*)OC(=O)Oc1ccc(C(=O)OC)cc1,364.05,GREA,364.05,,1,0.0,black,28,14.0,14,14,2,5.833333333333334,4.666666666666667,7.0,11.666666666666668,1.5,1,2,3,1,5.559408606249189,2,8,4,2,0,2,145.66,0.0,0,9.473725907600098,392.0743467,2,26,21.935141093474428,0.0,2.4285714285714284,0,0,0,0,12,4,0,0,12,0.7142857142857143,10,10,1,3.052375189045708,0,3,4,0,0,0,35.53,0.0,0,0.0,116.0473441,4,4,10.533837868480726,13.344558822616634,1.625,0,0,0,0,8,1,0,0,0,0.5,5,2.0159626557134507,0,13,10,2,0,2,159.18999999999997,0.0,0,9.473725907600098,504.0903906999999,6,30,12.38167956,12.71084835226122,0.7222222222222222,0,0,0,0,22,5,0,0,6,0.3947368421052631,15,Polycarbonates,Polycarbonates/thiocarbonates,"[-3.8998e-01 -2.4066e-02 -5.3863e-01 -1.7157e-01 -8.0243e-01 -1.2910e+00 -5.0671e-01 9.6402e-02 1.4065e-01 -3.6659e-02 -7.2994e-02 -7.5442e-02 7.7892e-01 -1.1170e+00 -4.1156e-01 -4.9725e-01 3.6488e-01 7.8471e-01 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[*]COC(=O)OCC(OC(C)=O)C([*])OC(C)=O,,*CC(OC(C)=O)C(COC(=O)O*)OC(C)=O,331.75,GREA,331.75,,1,0.0,black,8,4.0,4,4,2,1.6666666666666663,1.3333333333333333,2.0,3.333333333333333,1.5,1,2,3,1,5.606078975348103,2,2,0,0,0,0,74.6,0.0,0,0.0,120.0422587,2,6,18.0,13.847474399381248,4.0,0,0,0,0,4,2,0,0,0,1.0,4,10,1,3.052375189045708,0,3,4,0,0,0,35.53,0.0,0,0.0,116.0473441,4,4,10.533837868480726,13.344558822616634,1.625,0,0,0,0,8,1,0,0,0,0.5,5,4.339485460369205,0,7,6,0,0,0,88.13,0.0,0,0.0,232.0583027,6,10,11.045815224237844,26.558322751642468,1.1875,0,0,0,0,14,3,0,0,0,0.5,9,Polycarbonates,Polycarbonates/thiocarbonates,"[-0.3919 0.0273 -1.4589 -0.1486 -0.5993 -1.6924 0.6151 0.0065 0.5966 0.3927 -0.1854 -0.4521 -0.0812 -0.8664 0.0788 1.3788 0.7307 0.7089 -0.8164 0.2967 -0.1424 1.7719 0.1688 0.9661 -0.5923 0.6461 -1.3214 -1.2091 -0.3145 -0.1143 -0.1025 -1.0578 -0.104 -0.1654 0.0876 0.4671 -0.1302 -1.9098 0.159 1.4182 0.2617 -0.6813 -1.7341 -1.1023 -0.2774 0.7175 0.5887 -0.0829 -0.5077 0.6421 -0.6826 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[*]COC(=O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C(=O)OC(C)COC(C)COC([*])C)cc3)cc2)cc1,,*Oc1ccc(C(=O)OC(C)COC(C)COC(C)COC(=O)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,309.15,GREA,309.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,43,1,1.4759229078669278,0,10,14,3,0,3,123.66,0.0,0,9.473725907600098,562.1838971599999,11,30,12.611418756271004,39.58602634,0.6097560975609756,0,0,0,0,23,4,0,0,6,0.2790697674418604,12,1.4759229078669278,0,10,14,3,0,3,123.66,0.0,0,9.473725907600098,562.1838971599999,11,30,12.611418756271004,39.58602634,0.6097560975609756,0,0,0,0,23,4,0,0,6,0.2790697674418604,12,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters","[-2.8016e-01 3.9417e-01 -4.6935e-01 -1.4344e-01 -1.2944e+00 8.6785e-01 -4.4917e-01 -2.6689e-01 -1.6573e-01 2.9682e-01 -7.0457e-01 -5.6616e-01 7.2129e-01 -5.9677e-01 -6.1442e-02 -5.7720e-01 1.3290e-01 -3.0874e-01 -2.3346e-01 2.7346e-01 5.2895e-01 9.1777e-02 3.8998e-01 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[*]Cc1ccc(-c2sc(-c3ccc(CC(=O)Nc4cccc5c(NC([*])=O)cccc45)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,*c1ccc(CC(=O)Nc2cccc3c(NC(=O)Cc4ccc(-c5sc(*)c(-c6ccccc6)c5-c5ccccc5)cc4)cccc23)cc1,528.15,GREA,528.15,,1,0.0,black,12,6.0,6,6,2,0.7083333333333333,0.6666666666666666,0.75,1.4166666666666663,7.5,7,8,15,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,37,1,1.2705324803249054,2,3,7,5,0,5,58.2,0.2,1,10.633577208012662,474.1401989,2,33,12.88416505285116,13.344558822616634,0.6857142857142857,0,0,0,0,11,2,0,1,6,0.1891891891891892,7,1.2296739155330705,2,3,9,7,0,7,58.2,0.1428571428571428,1,10.633577208012662,626.2027992000001,2,45,13.3248252,13.344558822616634,0.5319148936170213,0,0,0,0,13,2,0,1,6,0.1428571428571428,7,Polysulfides,"Polysulfides, Polyamides/thioamides","[ 1.0101e-01 2.5543e-01 -3.3744e-01 6.5744e-01 3.6266e-01 1.1468e+00 -7.1623e-01 -8.1389e-01 -4.9312e-02 6.8037e-01 -3.4425e-01 1.0164e+00 1.9906e-01 -2.9154e-01 5.2215e-01 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[*]Cc1ccc(OC(=O)CCC(=O)Oc2ccc(CCC(=O)NC([*])C(=O)OCC(C)C)cc2)cc1,,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCC(C)C)cc1,348.15,GREA,348.15,,1,0.0,black,7,7.0,7,7,1,3.5,3.5,3.5,3.5,1.0,1,1,1,1,2.8099823316091586,0,2,3,0,0,0,26.3,0.0,0,0.0,102.0680796,4,3,9.487083333333333,13.847474399381248,1.7142857142857142,0,0,0,0,5,1,0,0,0,0.2857142857142857,2,29,1,1.721016763266141,1,5,10,2,0,2,81.70000000000002,0.0,0,14.790514511606428,367.1419728,6,21,11.954657963978123,32.60702369139466,0.7777777777777778,0,0,0,0,15,3,0,0,6,0.2758620689655172,8,1.6906392288883654,1,7,13,2,0,2,108.0,0.0,0,14.790514511606428,467.1944023,10,24,12.169358268792273,52.99925449668848,0.8529411764705882,0,0,0,0,21,4,0,0,6,0.2777777777777778,10,Polyesters,"Polyesters/thioesters, Polyamides/thioamides","[-5.2510e-02 3.1605e-02 -1.9796e-02 4.2594e-01 -1.1304e+00 1.0212e-01 -7.8669e-01 6.3995e-01 8.6487e-01 4.2599e-02 4.9933e-01 7.5728e-01 3.0015e-01 -1.1269e+00 1.6486e-01 -1.3582e-01 7.1096e-01 -1.4452e+00 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[*]Cc1ccc(OC(=O)CCCC(=O)Oc2ccc(CC(=O)NC([*])C(=O)OCCCCCC)cc2)cc1,,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCCCCCC)cc1,315.15,GREA,315.15,,1,0.0,black,9,9.0,9,9,1,4.5,4.5,4.5,4.5,1.0,1,1,1,1,2.663883887398183,0,2,6,0,0,0,26.3,0.0,0,0.0,130.0993797,6,3,9.615327459687578,32.60702369139466,1.3333333333333333,0,0,0,0,7,1,0,0,0,0.2222222222222222,2,29,1,1.6910619183959208,1,5,10,2,0,2,81.70000000000002,0.0,0,14.790514511606428,367.1419728,6,21,11.945081696423864,32.60702369139466,0.8148148148148148,0,0,0,0,15,3,0,0,6,0.2758620689655172,8,1.6548927665871658,1,7,16,2,0,2,108.0,0.0,0,14.790514511606428,495.2257024,12,24,12.323041797198025,71.75880379,0.8333333333333334,0,0,0,0,23,4,0,0,6,0.2631578947368421,10,Polyesters,"Polyesters/thioesters, Polyamides/thioamides","[-1.4925e-01 -2.6971e-02 -6.8994e-02 4.2864e-01 -6.5623e-01 -3.2092e-01 -7.9320e-01 4.0831e-02 8.5556e-01 4.8826e-01 5.8693e-01 8.2700e-01 2.1010e-01 -7.5413e-01 -3.0325e-01 3.7132e-01 4.7339e-01 -5.6434e-01 -3.0996e-01 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[*]N(C)[Si](C)(C)N(C)[Si]([*])(C)C=C,,*N(C)[Si](C)(C=C)N(C)[Si](*)(C)C,231.15,GREA,231.15,,1,0.0,black,2,2.0,2,2,1,1.0,1.0,1.0,1.0,1.0,1,1,1,1,2.0,0,0,0,0,0,0,0.0,0.0,0,0.0,28.03130013,0,2,3.0,0.0,1.0,0,0,0,0,0,1,0,0,0,0.0,0,11,1,4.289156406717988,0,2,3,0,0,0,6.48,0.0,0,0.0,160.0852016,9,0,2.805555555555556,19.64103406104326,1.5555555555555556,0,0,0,0,10,0,0,0,0,0.5454545454545454,6,4.7712152009619295,0,2,4,0,0,0,6.48,0.0,0,0.0,186.1008516,9,2,4.032952884857647,19.64103406104326,1.4545454545454546,0,0,0,0,11,1,0,0,0,0.4615384615384615,6,Polyimines,"Polyimines, Polysiloxanes/silanes","[-9.4634e-01 -2.8109e-01 1.1820e+00 -5.1388e-01 2.6709e-01 1.2248e-01 1.3986e+00 -2.5924e-01 -5.2200e-02 -6.5692e-01 9.7282e-01 -1.5659e+00 -7.3314e-05 -5.6064e-01 -3.7388e-01 -1.9069e-01 2.0690e-01 1.4443e+00 9.0410e-01 -2.9896e-01 1.2619e+00 -8.1896e-01 -1.1259e+00 -6.2606e-01 -8.2251e-01 -8.5937e-01 1.6519e+00 -8.8465e-02 4.8714e-01 1.1312e+00 -1.0351e+00 5.6608e-01 1.2348e+00 5.3489e-01 -1.4653e+00 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[*]N(C)[Si](C)(C)N(C)[Si]([*])(C)CC,,*N(C)[Si](C)(C)N(C)[Si](*)(C)CC,253.15,GREA,253.15,,1,0.0,black,2,2.0,2,2,1,1.0,1.0,1.0,1.0,1.0,1,1,1,1,1.0,0,0,0,0,0,0,0.0,0.0,0,0.0,30.04695019,2,0,2.0,13.847474399381248,1.0,0,0,0,0,1,0,0,0,0,0.0,0,11,1,4.289156406717988,0,2,3,0,0,0,6.48,0.0,0,0.0,160.0852016,9,0,2.805555555555556,19.64103406104326,1.5555555555555556,0,0,0,0,10,0,0,0,0,0.5454545454545454,6,4.672501324606533,0,2,4,0,0,0,6.48,0.0,0,0.0,188.1165017,11,0,2.8819444444444446,32.60886703765036,1.3636363636363635,0,0,0,0,12,0,0,0,0,0.4615384615384615,6,Polyimines,"Polyimines, Polysiloxanes/silanes","[-0.5796 0.268 1.621 -0.0629 0.6154 -0.3501 1.4552 0.0832 0.4423 -0.4639 0.9421 -1.648 -0.3974 -0.1694 0.0032 0.8732 0.1044 1.6225 1.0322 -0.5062 1.1599 -1.0712 -0.9442 -0.9962 -0.3618 -0.6282 1.8349 0.0995 0.4232 0.8365 -1.6851 0.0298 1.028 0.4319 -1.8119 0.7865 -0.4318 0.3325 -0.0132 0.4693 0.6079 -1.3052 0.8131 0.7087 -1.8763 0.7543 -1.8788 -0.4354 0.2108 -0.384 -1.4126 2.3383 0.2573 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[*]N1CCOC1([*])CC,,*N1CCOC1(*)CC,328.15,GREA,328.15,,1,0.0,black,2,2.0,2,2,1,1.0,1.0,1.0,1.0,1.0,1,1,1,1,1.0,0,0,0,0,0,0,0.0,0.0,0,0.0,30.04695019,2,0,2.0,13.847474399381248,1.0,0,0,0,0,1,0,0,0,0,0.0,0,7,1,2.325296719877603,0,2,0,1,1,0,12.47,0.0,1,0.0,71.03711378,5,0,5.364583333333334,6.730816747499484,2.4,0,0,0,0,7,0,0,0,5,0.5714285714285714,4,2.555151576890918,0,2,1,1,1,0,12.47,0.0,1,0.0,99.06841391,7,0,5.701388888888889,19.572459993351504,2.2857142857142856,0,0,0,0,9,0,0,0,5,0.4444444444444444,4,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-2.5471e-01 3.5278e-01 -1.8264e+00 8.4144e-01 -1.6311e-01 -9.9628e-01 1.8556e+00 -6.6188e-01 4.2235e-01 1.8253e+00 -9.1008e-02 -4.1560e-01 -3.1546e-01 3.8938e-01 -1.5320e-03 2.0601e+00 1.3769e+00 7.7200e-01 1.4691e+00 -1.6999e+00 1.9268e+00 -6.2816e-02 3.9975e-01 -1.8518e+00 -1.1457e+00 -1.0819e+00 3.4801e-01 -3.6814e-01 5.6935e-01 5.2073e-02 -1.3919e+00 2.7581e-01 4.2085e-01 6.1460e-02 -8.5181e-01 -8.8980e-01 5.1141e-01 -7.6769e-01 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[*]N=Nc1ccc([N+](=O)[O-])cc1OCCOC(=O)Nc1cc(NC(=O)OCCn2cc([*])c3cc(-c4ccc5c(c4)c4ccccc4n5CCCC)ccc32)ccc1C,,*CCOC(=O)Nc1ccc(C)c(NC(=O)OCCOc2cc([N+](=O)[O-])ccc2/N=N/c2cn(*)c3ccc(-c4ccc5c(c4)c4ccccc4n5CCCC)cc23)c1,433.15,GREA,433.15,,1,0.0,black,24,12.0,21,3,2,3.7142857142857135,0.4285714285714285,7.0,7.428571428571429,4.0,2,6,8,2,4.495025718304888,1,3,5,3,0,3,59.03,0.6666666666666666,1,5.340189921973525,322.1681279,4,20,12.186843371225136,26.31013685145522,3.095238095238096,0,0,0,0,6,1,0,2,6,1.0476190476190477,4,35,1,1.4278606486765797,2,8,10,3,0,3,115.54,0.0,1,21.43680723027432,449.1699188,5,28,12.232672072126578,13.46849361,1.0606060606060606,0,0,0,0,17,3,0,0,6,0.3428571428571428,12,0.9276314594138122,2,11,15,7,0,7,163.61,0.4285714285714285,2,21.43680723027432,765.2910966,9,48,12.83025227,39.77863045705841,0.8245614035087719,0,0,0,0,24,4,0,3,6,0.2711864406779661,16,Polyoxides,"Polyoxides/ethers/acetals, Polyurethanes/thiourethanes, Polyimines","[-0.6171 0.1992 -0.3472 -0.4807 -0.3503 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[*]N=P([*])(Cl)Oc1ccc(C)cc1,,*N=P(*)(Cl)Oc1ccc(C)cc1,268.15,GREA,268.15,,1,0.0,black,8,8.0,8,8,1,4.0,4.0,4.0,4.0,1.0,1,1,1,1,3.0324555320336755,1,1,0,1,0,1,20.23,0.0,0,0.0,108.0575149,1,7,8.756666666666668,6.923737199690624,1.125,0,0,0,0,2,0,0,0,6,0.125,1,5,1,3.1431973062780685,0,1,0,0,0,0,12.36,0.0,0,0.0,80.95351334,2,1,5.570987654320987,0.0,3.0,1,0,1,0,3,1,0,0,0,1.0,5,2.8181376042295283,0,2,2,1,0,1,21.59,0.0,0,4.5237471617118175,186.9953782,3,8,6.190804831191736,6.923737199690624,1.6363636363636365,1,0,1,0,6,1,0,0,6,0.4615384615384615,6,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-0.7836 0.0793 -1.1053 -0.4712 -0.3059 0.7761 -0.777 0.2654 0.0643 0.6212 1.6119 -0.0346 -0.95 -0.6262 1.1449 -0.3857 0.2388 1.2164 0.5029 -0.6596 1.1938 -0.16 -0.1429 0.1594 -0.2496 0.7159 2.8427 -0.8836 0.1554 0.0216 -0.0864 1.6995 1.267 0.3745 -1.6553 -0.2885 1.4924 -0.6109 -1.4221 0.7335 -0.2803 -1.3066 -0.0535 -0.4409 -0.4574 -0.0814 0.4204 0.0921 0.6646 0.3852 -0.6552 0.5011 0.2624 0.2837 1.4669 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[*]N=P([*])(NC(C)C(=O)OCC)NC(C)C(=O)OCC,,*N=P(*)(NC(C)C(=O)OCC)NC(C)C(=O)OCC,256.4,GREA,256.4,,1,0.0,black,16,8.0,8,8,2,4.0,4.0,4.0,8.0,1.0,1,1,2,1,6.658300074368946,2,6,4,0,0,0,104.64,0.0,0,11.46733495432437,234.1579572,10,6,20.791203703703705,39.77863045705842,3.75,0,0,0,0,12,2,0,0,0,0.75,6,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,4.702903432168598,2,5,8,0,0,0,89.02,0.0,0,10.174590126154303,277.11914275000004,11,7,11.678993169428775,39.77863045705841,1.2222222222222223,0,0,0,0,16,3,0,0,0,0.5,10,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-1.1176e+00 2.5242e-01 -4.6340e-01 -2.5023e-01 9.1610e-02 -1.0779e+00 6.6953e-03 -2.8146e-01 7.5616e-01 1.0403e+00 9.1488e-01 -9.5332e-02 3.9414e-01 -1.2862e+00 2.5887e-02 1.2083e+00 1.2395e+00 1.5141e+00 2.4898e-02 8.3428e-01 -2.9526e-01 -1.9822e-01 -8.7388e-01 -7.4835e-02 -7.4566e-01 -1.7840e+00 8.3567e-01 4.7834e-02 1.3680e-01 -1.7243e+00 -1.1300e+00 -1.0865e+00 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[*]N=P([*])(NCC)NCC,,*N=P(*)(NCC)NCC,303.15,GREA,303.15,,1,0.0,black,6,3.0,3,3,2,1.5,1.5,1.5,3.0,1.0,1,1,2,1,3.2659863237109046,2,2,0,0,0,0,52.04,0.0,0,11.46733495432437,90.11569845,6,0,9.694444444444445,13.847474399381248,4.0,0,0,0,0,4,0,0,0,0,0.6666666666666666,2,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,3.9670955998673376,2,1,4,0,0,0,36.42,0.0,0,10.174590126154303,133.076884,7,1,4.649444444444445,13.847474399381248,1.625,0,0,0,0,8,1,0,0,0,0.6,6,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-1.5035 -0.0417 -0.9834 0.2935 0.0695 0.8425 0.5116 -2.0262 0.6903 0.6308 0.8722 0.1143 -1.268 -1.4454 0.5331 1.7305 0.5295 2.2744 0.6911 -0.5492 1.2943 0.2755 -1.3442 -1.9664 -0.2115 -1.4286 1.8999 0.0433 0.4077 0.4267 -1.2939 0.9127 0.2071 -0.1566 -1.5428 0.1779 1.6174 -0.5647 -1.2678 0.7365 0.9594 -1.0951 -0.1119 0.4273 -2.2083 1.7505 -1.124 0.8222 -1.075 0.1643 -2.1239 2.5591 -0.6204 2.5584 0.8759 0.5518 -0.9768 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[*]N=P([*])(NCCCC)NCCCC,,*N=P(*)(NCCCC)NCCCC,300.15,GREA,300.15,,1,0.0,black,10,5.0,5,5,2,2.5,2.5,2.5,5.0,1.0,1,1,2,1,4.381219374,2,2,4,0,0,0,52.04,0.0,0,11.46733495432437,146.1782987,10,0,10.278055555555556,39.530760891085286,3.2,0,0,0,0,8,0,0,0,0,0.4,2,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,3.809585937091099,2,1,8,0,0,0,36.42,0.0,0,10.174590126154303,189.1394843,11,1,4.813594104308391,39.53076089108528,1.25,0,0,0,0,12,1,0,0,0,0.4285714285714285,6,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-1.0463e+00 1.8126e-01 -1.0083e+00 5.7217e-01 4.9260e-01 1.2471e-01 5.5702e-01 -1.2958e+00 -1.9891e-03 6.0456e-01 1.9019e+00 1.3030e-01 -7.1136e-01 -7.2181e-01 8.1810e-03 1.4165e+00 6.6638e-01 1.8983e+00 7.6902e-01 5.3404e-01 8.9224e-01 -6.2033e-01 -8.0994e-01 -1.2912e+00 -6.2744e-01 -1.5977e+00 2.3901e+00 8.9687e-02 9.1684e-01 -4.3655e-01 -1.4500e+00 2.8113e-01 3.5620e-01 4.0232e-01 -7.6516e-01 -1.2865e-01 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[*]N=P([*])(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,*N=P(*)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,233.15,GREA,233.15,,1,0.0,black,48,24.0,24,24,2,12.0,12.0,12.0,24.0,1.0,1,1,2,1,12.833833864418224,2,2,12,0,0,0,40.46,0.0,0,0.0,799.9888760320001,48,0,25.60861111111111,83.42294705202187,0.8333333333333334,30,30,0,0,46,0,0,0,0,1.3333333333333333,32,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,6.621912995,0,3,16,0,0,0,30.82,0.0,0,0.0,842.9500615979999,49,1,14.018534200668627,83.42294705202185,0.34,30,30,0,0,50,1,0,0,0,0.6923076923076923,36,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-1.9718e-01 -1.1803e-02 -8.0171e-02 5.8296e-01 5.1091e-01 1.7771e-01 -1.6078e-01 -6.6406e-01 -1.2354e+00 -5.2127e-02 -7.6576e-01 -1.1756e+00 -1.1969e-02 -1.2982e+00 -1.6405e+00 -4.1811e-01 -1.0295e+00 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[*]N=P([*])(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F,,*N=P(*)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F,220.65,GREA,220.65,,1,0.0,black,18,9.0,9,9,2,4.5,4.5,4.5,9.0,1.0,1,1,2,1,8.289452733489517,2,2,2,0,0,0,40.46,0.0,0,0.0,300.0208116,18,0,22.569444444444443,24.197655371076102,2.0,10,10,0,0,16,0,0,0,0,1.3333333333333333,12,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,4.904322110654518,0,3,6,0,0,0,30.82,0.0,0,0.0,342.98199719800004,19,1,12.65139562,24.197655371076102,0.8,10,10,0,0,20,1,0,0,0,0.7272727272727273,16,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-9.5116e-01 -7.0661e-01 -8.8269e-01 4.0325e-01 7.2373e-01 6.7934e-01 4.5514e-01 1.0300e-01 -6.6573e-01 6.9248e-01 1.4358e-01 -1.1199e+00 2.2125e-01 -2.1888e-01 -4.1729e-01 -5.7868e-01 7.6518e-02 2.2141e-02 -1.1778e+00 -2.6516e-01 3.0099e-01 -8.9414e-01 -3.4856e-01 -4.6428e-01 4.7208e-01 -4.6624e-01 -1.4882e-01 -9.6889e-01 -1.5821e-01 -8.7288e-01 -5.2194e-01 2.6744e-01 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[*]N=P([*])(OCCOC)OCCOC,,*N=P(*)(OCCOC)OCCOC,195.15,GREA,195.15,,1,0.0,black,10,5.0,5,5,2,2.5,2.5,2.5,5.0,1.0,1,1,2,1,4.381219374,2,4,4,0,0,0,58.92,0.0,0,0.0,152.104859,10,0,15.8825,0.0,3.6,0,0,0,0,8,0,0,0,0,0.8,4,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,3.809585937091099,0,5,8,0,0,0,49.28,0.0,0,0.0,195.0660446,11,1,5.681028911564626,0.0,1.1666666666666667,0,0,0,0,12,1,0,0,0,0.5714285714285714,8,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-1.6946e+00 4.1582e-01 -1.9720e+00 7.8215e-01 -7.6189e-01 8.2709e-01 -1.2717e-03 -2.9615e-01 8.3918e-02 1.0635e+00 1.0890e-01 -2.8823e+00 1.1151e+00 -2.8919e-01 -9.3428e-02 1.5410e+00 1.8173e+00 1.7553e+00 -9.9662e-01 -9.6701e-01 1.4318e+00 -8.0659e-01 -8.8846e-01 -9.9552e-02 -6.8152e-01 3.4983e-01 1.8188e+00 2.2188e-01 -4.6163e-01 -1.2435e+00 -9.0643e-01 9.6815e-01 1.3185e+00 -1.9441e-01 -1.1041e+00 3.5024e-01 1.2589e+00 -9.7209e-01 -1.5971e+00 1.2601e+00 8.7133e-01 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[*]N=P([*])(OCCOc1ccc(-c2ccccc2)cc1)OCCOc1ccc(-c2ccccc2)cc1,,*N=P(*)(OCCOc1ccc(-c2ccccc2)cc1)OCCOc1ccc(-c2ccccc2)cc1,329.35,GREA,329.35,,1,0.0,black,32,16.0,16,16,2,8.0,8.0,8.0,16.0,1.0,1,1,2,1,4.2686560049410005,2,4,8,4,0,4,58.92,0.0,0,9.473725907600098,428.1987594,6,26,17.27034123531057,0.0,1.625,0,0,0,0,10,0,0,0,12,0.25,4,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,1.1576394472552942,0,5,12,4,0,4,49.28,0.0,0,9.473725907600098,471.1599449419999,7,27,6.125847181771015,0.0,0.5294117647058824,0,0,0,0,14,1,0,0,6,0.2222222222222222,8,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-0.3279 0.7049 -1.5072 1.3108 0.4226 1.6001 -0.8264 -0.5938 -0.0031 1.2829 0.1708 -0.3903 1.265 -0.5088 0.5711 0.7625 0.8406 -0.3189 0.6044 -0.8816 0.9252 -1.4044 0.8851 -0.0265 -0.7999 2.0967 1.6624 -0.4044 -1.4769 -0.4992 -0.554 0.9712 1.0304 -0.0623 -1.1068 -0.0073 0.1664 0.5173 0.2889 -0.5288 -0.0408 -0.405 0.5813 0.8444 -0.318 1.192 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[*]N=P([*])(OCCOc1ccc(-c2ccccc2)cc1I)OCCOc1ccc(-c2ccccc2)cc1I,,*N=P(*)(OCCOc1ccc(-c2ccccc2)cc1I)OCCOc1ccc(-c2ccccc2)cc1I,342.65,GREA,342.65,,1,0.0,black,34,17.0,17,17,2,8.5,8.5,8.5,17.0,1.0,1,1,2,1,4.497516392103472,2,4,8,4,0,4,58.92,0.0,0,9.473725907600098,679.9920553,8,26,17.447227100767865,0.0,2.0,2,0,0,0,12,0,0,0,12,0.3529411764705882,6,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,1.205973841488331,0,5,12,4,0,4,49.28,0.0,0,9.473725907600098,722.9532408779999,9,27,6.185515076706768,0.0,0.6111111111111112,2,0,0,0,16,1,0,0,6,0.2631578947368421,10,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-0.9049 -0.2587 -1.5722 0.412 0.251 1.8392 -2.3179 0.5116 -0.5064 0.3317 0.7434 0.1006 0.6028 -1.0039 1.2834 0.6801 0.0377 -0.2542 -0.1997 -0.9353 -0.1726 -1.7775 -0.6262 0.2665 -1.4567 1.73 0.904 -0.535 -1.1695 -1.3637 -0.1282 1.3 0.4176 -1.1844 -1.7264 -0.0872 1.1387 0.4902 -0.4899 -0.2601 0.032 -0.1984 -0.0884 -0.102 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[*]N=P([*])(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,,*N=P(*)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,358.15,GREA,358.15,,1,0.0,black,26,13.0,13,13,2,6.5,6.5,6.5,13.0,1.0,1,1,2,1,4.847711945540849,2,2,2,4,0,4,40.46,0.0,0,0.0,340.1463299,0,26,18.207147896195515,0.0,1.2307692307692308,0,0,0,0,4,0,0,0,12,0.1538461538461538,2,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,1.4743278347968498,0,3,6,4,0,4,30.82,0.0,0,9.047494323423637,383.1075154,1,27,6.356649575923116,0.0,0.5357142857142857,0,0,0,0,8,1,0,0,6,0.2,6,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-0.3226 0.3336 -1.4475 0.8769 0.3744 1.1793 -0.1278 -0.7248 0.0032 1.1162 0.5195 -0.0549 0.9888 -0.334 0.3528 0.1273 0.6955 -0.0457 0.8213 -0.5028 1.3526 -0.6644 0.8253 0.2786 -0.8002 1.2332 2.0983 -0.4134 -0.6878 -0.0276 -0.2411 1.1028 0.3864 -0.1877 -1.0884 -0.5932 0.809 0.6554 -0.3835 -0.5005 0.1811 -0.8028 0.6827 0.8968 0.0549 1.2373 -0.4431 -0.5681 -0.7636 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[*]N=P([*])(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1,,*N=P(*)(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1,293.8,GREA,293.8,,1,0.0,black,16,8.0,8,8,2,4.0,4.0,4.0,8.0,1.0,1,1,2,1,6.064911064067351,2,2,0,2,0,2,40.46,0.0,0,0.0,343.9047538,2,14,17.471666666666664,0.0,2.25,2,0,0,2,4,0,0,0,12,0.5,4,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,2.1669600888005363,0,3,4,2,0,2,30.82,0.0,0,9.047494323423637,386.8659393,3,15,6.103578160430839,0.0,0.8888888888888888,2,0,0,2,8,1,0,0,6,0.4,8,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-9.6441e-01 -4.7178e-01 -2.2541e+00 -6.5877e-01 -5.8361e-01 1.0355e+00 -1.2448e+00 -1.0365e-01 -1.7579e-01 8.8605e-01 1.0857e+00 -2.4838e-01 -4.7189e-01 -6.7163e-01 1.3646e+00 -4.9583e-01 8.1352e-01 3.1212e-01 1.8314e-01 -4.2252e-01 8.5622e-01 -7.2992e-01 2.8339e-01 3.1309e-01 -1.9542e-01 9.8350e-01 1.5905e+00 -1.3114e+00 2.9439e-01 2.6479e-01 -3.1432e-01 1.7268e+00 1.1938e+00 5.5820e-02 -1.4848e+00 -1.0727e+00 2.1847e+00 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[*]N=P([*])(Oc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1,,*N=P(*)(Oc1ccc(C(=O)OC)cc1)Oc1ccc(C(=O)OC)cc1,240.15,GREA,240.15,,1,0.0,black,22,11.0,11,11,2,5.5,5.5,5.5,11.0,1.0,1,1,2,1,5.790696071977513,2,6,2,2,0,2,93.06,0.0,0,0.0,304.0946882,2,20,21.64174225245653,0.0,2.727272727272727,0,0,0,0,8,2,0,0,12,0.5454545454545454,6,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,2.128557785120618,0,7,6,2,0,2,83.42,0.0,0,9.047494323423637,347.05587379799994,3,21,11.494624676693231,0.0,0.875,0,0,0,0,12,3,0,0,6,0.3846153846153846,10,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-9.0531e-01 2.2335e-01 -1.9114e+00 -3.8738e-01 -6.0604e-01 -5.8513e-01 -3.4283e-01 7.4814e-01 -4.6846e-01 2.1261e-01 1.0267e+00 -4.8948e-01 8.3486e-01 -8.9011e-01 4.3128e-01 -3.5362e-01 1.2148e+00 1.3292e+00 -8.6331e-01 -4.2698e-02 2.9972e-01 -2.4998e-01 9.7913e-01 9.0211e-01 -8.3712e-01 2.6360e-01 1.9222e+00 -9.5337e-01 -7.6591e-01 -5.1393e-01 -9.9505e-01 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[*]N=P([*])(Oc1ccc(Cc2ccccc2)cc1)Oc1ccc(Cc2ccccc2)cc1,,*N=P(*)(Oc1ccc(Cc2ccccc2)cc1)Oc1ccc(Cc2ccccc2)cc1,286.45,GREA,286.45,,1,0.0,black,28,14.0,14,14,2,7.0,7.0,7.0,14.0,1.0,1,1,2,1,4.310221702468576,2,2,4,4,0,4,40.46,0.0,0,0.0,368.17763,2,26,18.245512723607963,12.84164324585202,1.4285714285714286,0,0,0,0,6,0,0,0,12,0.1428571428571428,2,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,1.3880882265531214,0,3,8,4,0,4,30.82,0.0,0,9.047494323423637,411.1388156,3,27,6.382002435628879,12.84164324585202,0.5666666666666667,0,0,0,0,10,1,0,0,6,0.1875,6,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-4.6583e-01 1.1902e-01 -8.9785e-01 6.9053e-01 -1.4448e-01 1.3591e+00 -4.0428e-01 1.1068e-03 -1.4711e-01 5.2672e-01 -1.1842e-01 -2.1860e-01 9.2400e-01 -4.7459e-02 9.6419e-01 2.0305e-01 3.8719e-01 1.5719e-02 1.1527e+00 3.2430e-01 1.2602e+00 -7.7379e-02 5.5198e-01 5.2797e-01 -5.1717e-01 1.3106e+00 1.8020e+00 -3.8643e-01 -5.7104e-01 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[*]N=P([*])(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,,*N=P(*)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,277.15,GREA,277.15,,1,0.0,black,16,8.0,8,8,2,4.0,4.0,4.0,8.0,1.0,1,1,2,1,6.064911064067351,2,2,0,2,0,2,40.46,0.0,0,0.0,256.0057849,2,14,17.39604938271605,0.0,2.25,2,0,2,0,4,0,0,0,12,0.5,4,4,1,2.549193338482967,0,1,0,0,0,0,12.36,0.0,0,0.0,44.97683563,0,2,4.069444444444445,0.0,3.5,0,0,0,0,2,1,0,0,0,1.0,4,2.1669600888005363,0,3,4,2,0,2,30.82,0.0,0,9.047494323423637,298.96697048600004,3,15,6.044502157344419,0.0,0.8888888888888888,2,0,2,0,8,1,0,0,6,0.4,8,Polyphosphazenes,"Polyphosphazenes, Polyimines","[-3.8361e-01 3.8591e-01 -1.8656e+00 -1.1976e+00 -4.0113e-01 6.0739e-01 -6.5023e-01 -2.8949e-02 -2.0868e-01 1.2918e+00 1.0065e+00 -8.4996e-02 -3.4901e-01 -7.5071e-01 7.5461e-01 -7.6631e-01 1.1968e+00 4.9820e-01 1.5082e-01 -8.3917e-01 1.7156e+00 -6.5629e-01 9.2771e-01 7.2462e-01 6.0614e-01 9.9245e-01 2.1339e+00 -1.2496e+00 -1.3199e+00 -1.6423e-01 1.9326e-02 2.1262e+00 1.5770e+00 -2.4108e-01 -8.7127e-01 -1.0523e+00 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1.7127e+00 -1.1893e+00 -4.9941e-01 -7.4848e-01 -3.9125e-01 2.3861e-01 2.0006e+00 -6.5981e-01 -2.9324e-04 5.7732e-02 7.1186e-02 9.5469e-01 -1.8139e-01 2.8685e-01 6.2553e-02 -2.5038e-01 -9.7258e-01 2.4264e-01 -7.7767e-01 -5.0403e-02 1.0267e+00 4.2859e-01 -7.4410e-01 -6.6336e-01 5.4143e-01 -4.3792e-01 -9.0879e-01 1.1816e-01 -7.1202e-01 -3.3082e-01 -1.4724e+00 -8.6234e-02 -1.0115e+00 1.4088e-01 -5.1165e-01 -1.3578e+00 -5.9218e-01 4.7118e-01 1.2202e+00 -1.3684e-01 5.7152e-01 -2.0965e-01 -1.7786e-03 5.6753e-01 8.8622e-01 8.2226e-01 -2.8111e-01 8.0592e-02 -8.7479e-01 -3.7589e-01 8.2324e-01 5.6983e-01 -1.7792e+00 5.4109e-01 -1.2409e+00 -9.2365e-01 5.6002e-01 1.4393e+00 -6.7057e-02 1.4886e-01 1.4372e-01 1.3527e+00 -6.5917e-01 -1.0434e+00 7.1258e-01 1.3099e+00 -1.7901e+00 -8.5911e-01 -9.0172e-01 -6.3069e-01 -3.8836e-01 1.8348e-01 -7.8333e-01 -2.1822e+00 8.8092e-01 1.1445e+00 -7.4956e-01 -1.1827e+00 1.3349e-01 -1.0459e+00 1.6491e+00 6.6619e-01 -6.6041e-01 1.1697e+00 4.7180e-04 -4.1367e-01 2.5482e-01 -1.1240e-02 -4.7206e-01 -4.9862e-01 -3.0096e-01 1.1428e-01 8.7728e-01 -6.1067e-02 -7.7115e-01 -1.2409e-01 5.1039e-01 1.2213e+00 -4.6189e-01 -1.4206e-01 2.2068e-01 5.1729e-01 7.3621e-01 1.8350e+00 -7.4991e-01 6.4832e-01 1.0663e+00 -7.1194e-02 -1.6391e-01 -8.0522e-02 4.0786e-01 1.0488e+00 -4.6748e-01 1.0823e+00 1.0505e-01 -2.8131e-01 1.2518e-01 1.0004e+00 -3.6572e-01 -7.6810e-02 -1.0530e+00 1.2903e-01 1.9406e-01 4.7056e-01 5.5818e-01 -1.2072e+00 -2.4936e-01 1.0503e-01 9.4728e-01 7.9054e-01 -5.9820e-01 1.7033e+00 -8.6537e-01 -1.0737e-01 8.4130e-01 -1.2698e-01 1.0451e-01 5.1785e-01 -2.8016e-01 8.8441e-01 7.1176e-01 2.9277e-01 2.6190e-01 -6.1925e-01]",{},"[-0.0304 -0.1922 -0.0169 0.0937 0.2056 0.0661 0.362 -0.0771 -0.2235 0.2297 -0.1002 -0.661 -0.1416 -0.2143 -0.0026 0.1193 -0.4017 -0.1738 -0.3996 0.138 -0.631 0.3081 -0.3793 0.3586 0.4985 -0.1455 -0.584 -0.3405 -0.1127 -0.7318 -0.0351 0.5688 0.3539 0.0166 -0.0485 0.3795 0.8033 -0.6559 -0.4831 0.3823 -0.1951 0.1823 -0.3374 0.1119 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[*]NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)OCC(F)(F)C(F)(F)C(F)(F)COC([*])=O,,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)O*,298.15,GREA,298.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,35,1,5.340601065316762,2,5,13,0,0,0,76.66,0.0,0,11.050456081168516,524.0417019,26,7,13.555849611368622,41.457704176662034,0.6363636363636364,14,14,0,0,32,2,0,0,0,0.6285714285714286,22,5.340601065316762,2,5,13,0,0,0,76.66,0.0,0,11.050456081168516,524.0417019,26,7,13.555849611368622,41.457704176662034,0.6363636363636364,14,14,0,0,32,2,0,0,0,0.6285714285714286,22,Polyurethanes,Polyurethanes/thiourethanes,"[-0.2754 -0.6828 0.0795 0.0697 0.1624 -0.324 0.342 -0.585 -0.4098 0.0696 -0.4871 -1.1384 -1.4857 -0.4414 -0.7635 -0.977 -1.0216 -0.5568 -1.0329 -0.2659 -1.1009 0.3292 -0.919 1.0837 1.0524 -1.3498 -1.4298 -0.3144 -0.768 -1.4362 -0.0026 -0.6514 0.9107 -0.1661 0.0963 0.4245 0.6953 -1.3351 -0.6086 0.9079 0.0542 0.0638 -1.2253 0.279 -0.9454 -0.1193 0.2171 -0.0866 0.6575 0.7161 0.1338 -0.2383 0.1632 0.3807 0.8548 1.6777 0.1686 1.8788 0.5016 0.6961 0.762 1.755 1.1246 -0.0749 -0.3458 -0.6421 1.4758 -2.3142 0.5135 -0.6159 -0.6521 -0.4744 0.0462 0.3997 -0.7538 1.3936 0.1113 -0.3306 0.8195 -1.5507 0.928 0.4655 -1.5924 -0.1977 0.2518 0.7395 0.2412 1.4779 -0.1722 0.3818 -0.1564 -0.2864 -0.937 -0.4301 -0.9809 -0.0648 0.7454 -1.0619 1.4938 -1.2607 -0.4868 -0.5833 -0.9819 0.7476 -0.7319 -0.6615 0.4521 -0.2422 0.7087 -0.4912 -0.6659 0.8674 1.4324 -1.2308 -0.4337 -1.0352 -0.3971 0.6204 1.932 -0.3342 0.3163 0.0974 -0.1696 0.8198 -0.3229 0.1904 0.0474 -0.1935 -0.7717 0.6173 -0.8735 -0.145 0.6972 0.0692 -0.604 -0.9269 0.9224 -0.7611 -1.0662 -0.0957 -1.0895 -0.0663 -1.3584 -0.2619 -1.317 0.0968 -0.6399 -1.1122 -0.4023 0.6756 1.1695 -0.0183 1.0406 -0.0231 0.1637 0.6774 0.6112 0.9756 -0.1909 0.1399 -0.6612 -0.2577 0.8138 0.1221 -1.6618 0.2277 -1.2494 -0.8566 0.8831 1.9215 -0.0396 -0.021 0.1586 1.4456 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0.2841 0.2566 -0.6076 -0.2833 0.2307 -0.2716 0.4842 0.3184 -0.4881 0.3178 0.0753 -0.0957 0.3705 -0.2307 -0.3009 -0.5904 -0.0892 -0.2782 0.4977 -0.1857 -0.1551 0.1668 0.1137 0.9583 -0.0473 -0.4499 0.0687 0.3928 0.5129 0.3691 -0.3272 0.346 0.4421 -0.5831 -0.288 -0.0759 0.3718 0.3772 0.0706 0.2223 -0.1026 -0.0031 0.4387 0.3834 -0.2163 0.1734 -0.2529 -0.0213 0.2214 0.0374 0.4243 -0.5816 -0.3308 -0.0925 0.4217 0.365 0.3924 0.3254 -0.2712 -0.3935 0.4454 -0.0353 0.247 0.5263 -0.2996 0.4119 -0.0563 -0.4862 0.203 0.5546]" 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[*]NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C([*])=O)cc3)cc2)c2ccccc12,,*NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C(*)=O)cc3)cc2)c2ccccc12,543.15,GREA,543.15,,1,0.0,black,16,5.333333333333333,6,4,3,0.7936507936507936,0.6666666666666666,0.8571428571428571,2.380952380952381,5.666666666666667,5,6,17,2,8.962117307087386,0,0,1,2,0,2,0.0,0.0,0,0.0,210.1408506,0,16,7.361111111111111,0.0,1.6666666666666663,0,0,0,0,0,0,0,0,12,0.0,0,33,1,1.530424405794391,4,5,7,3,0,3,116.39999999999998,0.0,0,32.49349575297231,430.1097316,2,29,12.37224720466548,0.0,0.5806451612903226,0,0,0,0,13,4,0,0,6,0.3333333333333333,11,1.3109476379181455,4,5,9,6,0,6,116.39999999999998,0.1666666666666666,0,42.86694704434723,632.1879819059999,2,45,13.337166965039785,0.0,0.4468085106382978,0,0,0,0,15,4,0,1,6,0.2244897959183673,11,Polyamides,"Polyamides/thioamides, Polysiloxanes/silanes","[-8.5816e-01 5.0752e-01 -9.2027e-01 -6.5309e-01 -3.2269e-01 7.3418e-01 -1.1564e+00 -2.3283e-01 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[*]NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C([*])=O)cc3)cc2)nc1,,*C(=O)NNC(=O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)NNC(=O)c3ccc(*)nc3)cc2)cc1,513.15,GREA,513.15,,1,0.0,black,12,6.0,6,6,2,0.8571428571428571,0.8571428571428571,0.8571428571428571,1.7142857142857142,6.0,6,6,12,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,33,1,1.530424405794391,4,6,7,3,0,3,129.28999999999996,0.0,1,32.49349575297231,431.1049806,2,29,12.351839041400176,0.0,0.7096774193548387,0,0,0,0,13,4,0,0,6,0.3636363636363636,12,1.4409464173239208,4,6,9,5,0,5,129.28999999999996,0.0,1,42.86694704434723,583.1675808099999,2,41,13.053165957229254,0.0,0.5348837209302325,0,0,0,0,15,4,0,0,6,0.2666666666666666,12,Polyamides,"Polyamides/thioamides, Polyimines, Polysiloxanes/silanes","[-2.8588e-01 7.0221e-01 -9.7325e-01 -2.9989e-01 9.2385e-02 5.7954e-01 -7.9248e-01 -2.9830e-01 -9.8283e-01 -6.6031e-01 -2.0507e-01 8.3992e-01 -5.2507e-02 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[*]NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C([*])=O)cc3)cc2)o1,,*C(=O)NNC(=O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)NNC(=O)c3ccc(*)o3)cc2)cc1,525.15,GREA,525.15,,1,0.0,black,12,6.0,6,6,2,0.8571428571428571,0.8571428571428571,0.8571428571428571,1.7142857142857142,6.0,6,6,12,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,32,1,1.5348238925282929,4,6,7,3,0,3,129.53999999999996,0.0,1,32.49349575297231,420.0889961419999,2,28,12.313423667854304,0.0,0.7,0,0,0,0,13,4,0,0,6,0.375,12,1.4604220021718843,4,6,9,5,0,5,129.53999999999996,0.0,1,42.86694704434723,572.1515963979999,2,40,13.014750583683384,0.0,0.5238095238095238,0,0,0,0,15,4,0,0,6,0.2727272727272727,12,Polyoxides,"Polyoxides/ethers/acetals, Polyamides/thioamides, Polysiloxanes/silanes","[-0.8825 0.6155 -1.3402 -0.4477 -0.4026 0.1721 -1.1073 -0.2031 -0.3804 -0.5331 -0.2037 1.0412 -0.0382 -0.959 0.5631 -0.3963 -0.1451 0.0784 -0.2566 0.4436 0.3897 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[*]NNC(=O)c1ccc(C2(c3ccc(C(=O)NNC(=O)c4ccc(C([*])=O)cc4)cc3)OC(=O)c3ccccc32)cc1,,*c1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(C4(*)OC(=O)c5ccccc54)cc3)cc2)cc1,510.15,GREA,510.15,,1,0.0,black,4,4.0,4,4,1,0.4,0.4,0.4,0.4,9.0,9,9,9,1,2.962117307087383,0,0,1,0,0,0,0.0,0.0,0,0.0,54.04695019,0,4,3.361111111111111,0.0,1.0,0,0,0,0,0,0,0,0,0,0.0,0,38,1,1.475072130150365,4,7,7,4,1,3,142.7,0.0,1,22.12004446159739,482.1226342959999,2,34,12.612789739792149,5.601050810983688,0.6666666666666666,0,0,0,0,17,5,0,0,6,0.3157894736842105,12,1.402032116683122,4,7,7,5,1,4,142.7,0.2,1,22.12004446159739,532.1382844,2,38,12.975564633487032,5.601050810983688,0.625,0,0,0,0,17,5,0,1,6,0.2857142857142857,12,Polyesters,"Polyesters/thioesters, Polyamides/thioamides","[-9.7344e-01 4.3700e-01 -1.2209e+00 -8.3486e-01 -1.1775e+00 5.8507e-01 -4.5033e-01 -2.2858e-01 -4.7126e-01 -4.6589e-01 2.9471e-01 7.1039e-01 -4.0535e-01 -1.7459e+00 7.6899e-01 -9.9408e-01 -7.7882e-01 -2.0292e-01 -9.2144e-01 1.3672e+00 3.3489e-02 8.5161e-02 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[*]NNC(=O)c1ccc(Oc2ccc(C([*])=O)cc2)cc1,,*Oc1ccc(C(=O)NNC(=O)c2ccc(*)cc2)cc1,536.15,GREA,536.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,21,1,2.058293658484892,2,4,5,2,0,2,67.43,0.0,0,16.005324621176673,254.0691422,1,18,11.61515989956258,0.0,0.9473684210526316,0,0,0,0,8,2,0,0,6,0.3333333333333333,7,2.058293658484892,2,4,5,2,0,2,67.43,0.0,0,16.005324621176673,254.0691422,1,18,11.61515989956258,0.0,0.9473684210526316,0,0,0,0,8,2,0,0,6,0.3333333333333333,7,Polyoxides,"Polyoxides/ethers/acetals, Polyamides/thioamides","[-0.5032 1.1577 -2.503 -1.3337 -0.4913 -0.3969 -0.018 0.2049 -0.4705 0.755 1.5291 0.5956 -0.42 -1.721 0.2665 -0.5533 1.3153 0.238 -0.4595 -0.9668 1.1605 -0.4657 1.1292 -0.2672 0.1501 0.0109 -0.1374 -0.3404 -0.5477 -0.2528 -0.9805 -0.5683 1.4293 -0.0584 -1.9914 -0.5286 1.0353 -1.6092 -0.9035 0.3673 -0.6626 -0.1061 -0.3986 0.0067 -0.0074 1.7631 0.5829 -0.5896 -0.3575 -0.1648 -0.2187 -0.4232 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1.9915e-01 1.6672e-01 5.2732e-01 2.0852e-01 -8.7866e-01 6.0334e-01 8.6983e-01 7.4825e-01 -3.6830e-01 4.6770e-01 -1.9227e-01 -6.5509e-01 1.8593e-01 2.2070e-01 -4.1268e-01 1.7726e-01 3.8912e-01 4.8282e-01 4.1581e-01 7.1810e-01 2.5710e-02 -1.1952e-01 -1.5775e-02 5.6557e-01 -9.0266e-02 6.5897e-01 4.8945e-01 2.9335e-01 3.0748e-01 -5.0999e-01 8.2253e-02 -3.9913e-01 -1.7778e-01 -1.5037e-02 -1.2698e-01 -2.6455e-01 -5.8601e-01 4.1365e-01 -5.2783e-02 -6.2803e-01 8.3342e-02 6.1465e-01 1.2075e-01 -9.9399e-02 1.3049e-01 -1.9470e-01 -1.1308e+00 -2.2378e-01 -1.9071e-01 -1.7843e-01 -4.6208e-01 -4.5432e-01 -8.0920e-02 -3.5347e-01 2.1502e-01 1.1157e-01 -2.5080e-01 -6.1926e-01 -1.6064e-01 -3.2556e-01 -2.7195e-01 -1.6460e-01 -8.1847e-02 -4.2159e-01 -4.7718e-01 -1.6753e-01 -8.1597e-01 1.0026e+00 -6.4225e-01 -1.8092e-01 9.7845e-02 -2.7537e-01 -4.6260e-01 -1.9478e-01 -2.8524e-01 -5.2317e-02 2.8936e-01 3.7117e-01 -1.7662e-01 4.1609e-01 -3.3409e-01 3.4518e-01 1.6883e-01 5.8264e-01 2.4238e-01 3.5690e-01 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[*]NNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC(=O)c3cccc(C(=O)Oc4ccc(C([*])=O)cc4)c3)cc2)c1,,*Oc1ccc(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)c2)cc1,453.15,GREA,453.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,44,1,1.3158997739299845,4,9,9,4,0,4,168.99999999999997,0.0,0,31.59377036919749,564.1281135999999,1,41,12.72946490988093,0.0,0.5,0,0,0,0,17,6,0,0,6,0.3181818181818182,14,1.3158997739299845,4,9,9,4,0,4,168.99999999999997,0.0,0,31.59377036919749,564.1281135999999,1,41,12.72946490988093,0.0,0.5,0,0,0,0,17,6,0,0,6,0.3181818181818182,14,Polyesters,"Polyesters/thioesters, Polyamides/thioamides","[-3.6441e-02 -5.2307e-01 -8.3962e-01 -1.1817e+00 -1.0111e+00 -7.0340e-01 -9.8072e-01 -2.6348e-01 1.6204e-01 1.8156e-02 2.1481e-01 1.2124e+00 -2.1393e-02 -1.6234e+00 1.5025e-01 -1.3236e+00 -4.8552e-02 -4.3264e-01 -6.0833e-01 4.8903e-01 -2.8939e-02 1.9094e-01 7.3085e-01 6.3063e-01 4.6123e-01 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[*]Nc1ccc(-c2nnc(-c3ccc(C([*])=O)c(Oc4ccccc4)c3)o2)cc1,,*c1ccc(C(=O)Nc2ccc(-c3nnc(*)o3)cc2)c(Oc2ccccc2)c1,508.15,GREA,508.15,,1,0.0,black,7,7.0,7,7,1,1.75,1.75,1.75,1.75,3.0,3,3,3,1,3.0214653097240864,1,1,0,1,0,1,20.23,0.0,0,0.0,94.04186481,0,7,8.632222222222222,0.0,1.0,0,0,0,0,1,0,0,0,6,0.1428571428571428,1,22,1,1.872890102728736,1,5,4,3,0,3,68.02000000000001,0.0,1,5.733667477162185,263.0694765,0,20,11.393604557225691,0.0,1.0,0,0,0,0,6,1,0,0,6,0.3181818181818182,7,1.669620056063848,1,6,6,4,0,4,77.25,0.0,1,10.470530430962237,355.0956913,0,27,12.124646066421963,0.0,0.9629629629629628,0,0,0,0,8,1,0,0,6,0.2758620689655172,8,Polyoxides,"Polyoxides/ethers/acetals, Polyamides/thioamides, Polyimines","[-0.8272 0.8086 -1.319 -0.0262 0.4122 -0.5775 0.5879 -0.5141 -1.0214 0.3771 0.5495 -0.6876 -0.7341 0.4057 0.5971 -0.6124 0.0462 0.7604 0.4562 -1.3293 0.775 -0.6716 0.1463 0.7159 -0.5324 0.5593 1.569 -0.5333 -1.0966 -0.9449 -1.1562 -1.2593 0.0755 1.5004 -1.8946 -0.9709 0.3102 0.1615 -1.2415 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[*]Nc1ccc(-c2nnc(-c3ccc(NC(=O)c4cc(C([*])=O)cc(N5C(=O)c6ccccc6C5=O)c4)cc3)o2)cc1,,*c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(-c4nnc(*)o4)cc3)cc(N3C(=O)c4ccccc4C3=O)c2)cc1,600.15,GREA,600.15,,1,0.0,black,11,11.0,11,11,1,2.2,2.2,2.2,2.2,4.0,4,4,4,1,2.6946772551637395,1,2,0,2,1,1,46.17,0.5,1,5.316788604006331,147.0320284,0,11,10.94398148148148,0.0,0.9090909090909092,0,0,0,0,4,2,0,1,6,0.2727272727272727,3,31,1,1.4691125735779538,2,6,6,4,0,4,97.12,0.0,1,11.050456081168516,382.1065903,0,29,12.506300745091018,0.0,0.8275862068965517,0,0,0,0,9,2,0,0,6,0.2903225806451613,9,1.2185496771897235,2,8,7,6,1,5,134.5,0.1666666666666666,2,15.950365812018994,527.1229686439999,0,40,13.266333498933296,0.0,0.75,0,0,0,0,14,4,0,1,6,0.2857142857142857,12,Polyoxides,"Polyoxides/ethers/acetals, Polyamides/thioamides, Polyimines","[-5.1814e-01 8.8727e-03 -1.0801e+00 -3.1643e-01 -3.0784e-01 -6.0479e-01 5.5898e-01 -1.7038e-01 -1.2632e+00 -8.3003e-01 9.5213e-01 -1.5431e-02 -5.0961e-01 -4.4261e-01 4.7343e-01 -2.5005e-01 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[*]Nc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccc(C([*])=O)cc4Oc4ccccc4)cc3)o2)cc1,,*c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-c4nnc(*)o4)cc3)c(Oc3ccccc3)c2)cc1,545.15,GREA,545.15,,1,0.0,black,7,7.0,7,7,1,1.4,1.4,1.4,1.4,4.0,4,4,4,1,3.0214653097240864,1,1,0,1,0,1,20.23,0.0,0,0.0,94.04186481,0,7,8.632222222222222,0.0,1.0,0,0,0,0,1,0,0,0,6,0.1428571428571428,1,31,1,1.446989370607758,2,6,6,4,0,4,97.12,0.0,1,11.050456081168516,382.1065903,0,29,12.434223080691924,0.0,0.7586206896551724,0,0,0,0,9,2,0,0,6,0.2903225806451613,9,1.3266325687895195,2,7,8,5,0,5,106.35,0.0,1,15.787319034968563,474.1328051,0,36,13.165264589888196,0.0,0.8055555555555556,0,0,0,0,11,2,0,0,6,0.2631578947368421,10,Polyoxides,"Polyoxides/ethers/acetals, Polyamides/thioamides, Polyimines","[-9.1520e-01 5.9036e-02 -1.4252e+00 -4.5138e-01 -3.1700e-01 -9.4394e-02 1.9711e-01 -1.4347e-01 -6.5381e-01 -3.5064e-01 3.0218e-01 1.6065e-01 -7.3991e-01 -8.0600e-02 1.0104e+00 8.6744e-03 -5.0169e-01 2.1588e-01 7.2187e-01 -9.0451e-01 6.3559e-01 -2.7675e-01 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[*]Nc1ccc(C(c2ccc(NC(=O)c3ccc(C(c4ccc(C([*])=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)(P2(=O)Oc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1,,*Nc1ccc(C(c2ccc(NC(=O)c3ccc(C(c4ccc(C(*)=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)(P2(=O)Oc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1,508.15,GREA,508.15,,1,0.0,black,38,9.5,15,4,4,1.3571428571428572,0.5714285714285714,2.142857142857143,5.428571428571429,6.0,6,6,24,2,9.336256134926588,0,4,0,6,2,4,52.6,1.0,2,19.65657411590145,572.0741017,10,28,42.95574829931972,13.35842818841618,3.733333333333333,6,6,0,0,14,2,0,3,12,1.9,12,34,1,1.329687120686021,2,3,8,4,0,4,58.2,0.0,0,11.050456081168516,418.16812794399993,2,30,12.683383124987529,12.84164324585202,0.59375,0,0,0,0,11,2,0,0,6,0.1764705882352941,6,1.122974124570922,2,7,10,10,2,8,110.8,0.2,2,30.707030197069965,982.1796294,12,58,17.324975533563645,22.66475478276433,0.4571428571428571,6,6,0,0,29,4,0,2,6,0.25,18,Polyamides,Polyamides/thioamides,"[-9.9984e-01 -2.2673e-01 -1.0469e+00 -1.5536e-01 1.6509e-01 1.1314e+00 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[*]Nc1ccc(C(c2ccc(NC(=O)c3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(C([*])=O)cc5)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,*Oc1ccc(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4ccc(OC(=O)c5ccc(C(*)=O)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,539.15,GREA,539.15,,1,0.0,black,8,4.0,4,4,2,0.5714285714285714,0.5714285714285714,0.5714285714285714,1.1428571428571428,6.0,6,6,12,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,140.0060694,8,0,19.33333333333333,13.35842818841618,2.0,6,6,0,0,6,0,0,0,0,1.5,6,45,1,1.116400540295488,2,7,10,5,0,5,110.8,0.0,0,20.52418198876861,568.1634364879999,1,42,12.781036454251876,6.4208216229260096,0.5348837209302325,0,0,0,0,15,4,0,0,6,0.2222222222222222,10,1.2264733924554032,2,7,10,5,0,5,110.8,0.0,0,20.52418198876861,704.1382057,9,42,14.457252044924251,17.76758750428373,0.5098039215686274,6,6,0,0,23,4,0,0,6,0.3018867924528302,16,Polyesters,"Polyesters/thioesters, Polyamides/thioamides","[-0.6276 -0.0335 -0.5469 -0.6663 0.2451 0.8523 -0.2037 -0.2138 -0.5894 -0.6722 -0.5417 0.5194 -0.0932 -0.9207 0.0799 -1.7165 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[*]Nc1ccc(OC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C([*])=O)cc3)cc2)cc1,,*Oc1ccc(NC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C(*)=O)cc3)cc2)cc1,508.15,GREA,508.15,,1,0.0,black,12,6.0,6,6,2,0.8571428571428571,0.8571428571428571,0.8571428571428571,1.7142857142857142,6.0,6,6,12,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,27,1,1.6298778005074477,1,4,6,3,0,3,55.4,0.0,0,20.84398172233715,345.0821199,1,24,12.299294206062958,0.0,0.84,0,0,0,0,9,2,0,0,6,0.2592592592592592,7,1.613808963277604,1,4,8,5,0,5,55.4,0.0,0,31.217433013712068,497.1447201,1,36,13.000621121892038,0.0,0.5945945945945946,0,0,0,0,11,2,0,0,6,0.1794871794871795,7,Polyesters,"Polyesters/thioesters, Polyamides/thioamides, Polysiloxanes/silanes","[-2.6080e-01 2.7167e-01 -1.0639e+00 1.5400e-01 6.1840e-01 3.0263e-01 3.9493e-01 -3.6825e-01 -8.1991e-01 -2.2427e-01 4.8004e-02 -9.0697e-02 5.6450e-01 -6.2167e-01 5.4807e-01 -2.8169e-01 5.6818e-01 1.6660e-01 6.1866e-01 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[*]Nc1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(C([*])=O)cc5C4=O)cc3)cc2)cc1,,*C(=O)Nc1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc2)cc1,523.15,GREA,523.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,36,1,1.2601678060868624,1,6,7,5,1,4,84.94,0.2,1,20.10730311561276,448.1059216,0,34,12.92402664924522,0.0,0.7058823529411765,0,0,0,0,13,3,0,1,6,0.25,9,1.2601678060868624,1,6,7,5,1,4,84.94,0.2,1,20.10730311561276,448.1059216,0,34,12.92402664924522,0.0,0.7058823529411765,0,0,0,0,13,3,0,1,6,0.25,9,Polyimides,"Polyimides/thioimides, Polyoxides/ethers/acetals, Polyamides/thioamides","[-3.0615e-02 1.0561e-01 -2.0358e+00 -2.5464e-01 -7.7169e-02 -7.3274e-01 7.4239e-01 2.8041e-02 -1.2702e+00 2.9565e-01 1.3033e+00 -4.7090e-01 -6.2844e-01 -9.2076e-01 2.5237e-01 -1.6114e-01 5.7849e-01 -1.1419e-01 -4.1124e-01 -1.3177e+00 2.3672e-01 -7.9890e-01 1.1761e+00 1.8038e-01 -1.6271e-01 -3.8373e-02 2.8992e-01 -3.1093e-01 -1.5132e+00 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[*]Nc1ccc(Oc2ccccc2Oc2ccc(NC(=O)c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(C([*])=O)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc2)cc1,,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Oc4ccccc4Oc4ccc(NC(=O)c5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,554.15,GREA,554.15,,1,0.0,black,8,4.0,4,4,2,0.3333333333333333,0.3333333333333333,0.3333333333333333,0.6666666666666666,11.0,11,11,22,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,140.0060694,8,0,19.33333333333333,13.35842818841618,2.0,6,6,0,0,6,0,0,0,0,1.5,6,63,1,0.8285224153250701,2,9,12,9,2,7,151.42,0.2222222222222222,2,30.32400145046957,802.2063639200002,1,60,13.704696741820523,6.4208216229260096,0.5081967213114754,0,0,0,0,23,6,0,2,6,0.2222222222222222,14,0.9275317994736496,2,9,12,9,2,7,151.42,0.2222222222222222,2,30.32400145046957,938.1811332,9,60,15.401849708312916,17.76758750428373,0.4927536231884058,6,6,0,0,31,6,0,2,6,0.2816901408450704,20,Polyimides,"Polyimides/thioimides, Polyoxides/ethers/acetals, 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[*]Nc1ccc2ccccc2c1-c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(C([*])=O)cc6C5=O)cc4)cc2)C3=O)ccc2ccccc12,,O=C(C1=CC=C([*])C=C12)N(C3=CC=C(OC4=CC=C(N5C(C6=CC=C(C(NC7=CC=C(C=CC=C8)C8=C7C9=C(NC([*])=O)C=CC%10=C9C=CC=C%10)=O)C=C6C5=O)=O)C=C4)C=C3)C2=O,560.95,Qiu,560.95,,1,0.0,black,8,4.0,4,4,2,0.7333333333333334,0.6666666666666666,0.8,1.4666666666666668,4.5,4,5,9,1,5.924234614174766,0,0,2,0,0,0,0.0,0.0,0,0.0,108.0939004,0,8,6.722222222222222,0.0,2.0,0,0,0,0,0,0,0,0,0,0.0,0,55,1,0.9493733547872052,2,8,9,8,2,6,142.18999999999997,0.25,2,25.58713849666952,696.1644991,0,53,13.60908069388599,0.0,0.5094339622641509,0,0,0,0,20,6,0,2,6,0.2363636363636363,13,0.8669517854001646,2,8,9,10,2,8,142.18999999999997,0.4,2,25.58713849666952,796.1957992360001,0,61,14.092589298189914,0.0,0.4918032786885246,0,0,0,0,20,6,0,4,6,0.2063492063492063,13,Other class,Other class,"[ 0.0259 -0.4372 -0.7333 -0.8701 -1.0997 -0.4135 -0.1773 -0.1445 -0.5246 -0.5818 0.7672 0.0462 -0.109 -0.9123 0.2158 -0.6442 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[*]Nc1cccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(C([*])=O)cc5)c(=O)c4cc3c2=O)c1,,*c1ccc(C(=O)Nc2cccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)c2)cc1,663.15,GREA,663.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,33,1,1.768149773478735,1,8,4,5,0,5,107.23999999999998,0.4,2,27.970735057370216,409.0698705,0,31,13.112567306969988,0.0,0.7096774193548387,0,0,0,0,6,5,0,2,6,0.303030303,10,1.768149773478735,1,8,4,5,0,5,107.23999999999998,0.4,2,27.970735057370213,409.0698705,0,31,13.112567306969988,0.0,0.7096774193548387,0,0,0,0,6,5,0,2,6,0.303030303,10,Polyimides,"Polyimides/thioimides, Polyamides/thioamides","[ 4.1216e-01 -1.2498e-01 -1.2167e+00 5.5237e-01 -3.4511e-01 -7.4963e-01 1.0868e+00 -5.5154e-01 -7.1780e-01 5.1347e-01 1.0745e+00 1.2486e+00 -1.2280e+00 -5.4216e-01 5.6308e-01 -9.4388e-01 1.6810e-01 -5.4145e-02 -6.6705e-01 -1.0101e+00 2.5152e-01 -7.2433e-01 1.1183e+00 4.6654e-01 3.2643e-01 7.4311e-02 1.2640e+00 1.5108e+00 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[*]OC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)OC3C(C)(C)C([*])C3(C)C)cc2)cc1,,*Oc1ccc(C(=O)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,398.15,GREA,398.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,32,1,1.604597276784242,0,7,5,3,1,2,88.13000000000001,0.0,0,9.473725907600098,410.136553,8,22,12.686210065726382,40.21973680943681,0.8,0,0,0,0,19,3,0,0,6,0.28125,9,1.604597276784242,0,7,5,3,1,2,88.13000000000001,0.0,0,9.473725907600098,410.136553,8,22,12.686210065726382,40.21973680943681,0.8,0,0,0,0,19,3,0,0,6,0.28125,9,Polycarbonates,"Polycarbonates/thiocarbonates, Polyketones/thioketones","[ 1.5372e-01 1.3982e-01 1.2279e-01 -1.1665e-01 4.9253e-02 -2.8831e-01 7.0750e-01 -5.0524e-01 8.9394e-02 3.1040e-01 7.7731e-01 -7.5048e-01 -4.3167e-02 -9.3505e-01 -7.4824e-02 -1.2912e+00 3.9650e-01 -3.5297e-03 8.9289e-01 -1.7593e-01 6.9501e-01 -6.1868e-01 1.2506e+00 7.6750e-01 -1.0169e+00 2.3998e-01 3.4733e-01 -3.8345e-01 -1.2367e+00 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1.7882e-01 3.7845e-01 -1.9516e-01 2.7647e-01 3.3092e-02 3.2819e-02 -1.8327e-01 7.8132e-01 -1.6387e-01 -3.9055e-02 1.1006e-01 -5.9636e-01 2.4700e-01 2.8504e-01 3.4620e-01 2.8261e-01 -1.3163e-01 2.0020e-01 2.7981e-01 -3.9208e-01 8.1781e-02 -1.4550e-01 9.2702e-02 8.7140e-02 -2.0679e-01 -2.7898e-01 -3.0407e-01 2.8698e-01 -4.5386e-02 1.9567e-01 -2.1857e-01 8.0192e-01 -1.5097e-01 -2.3741e-01 8.6624e-02 1.5257e-01 1.8054e-01 2.6251e-01 -6.4194e-01 -2.7184e-01 8.1435e-03 7.1946e-02 -3.5134e-01 -3.9743e-01 -2.4482e-01 6.4995e-01 -2.8617e-01 -1.3657e-02 -3.7757e-01 -8.4688e-01 -2.0420e-02]" [*]OC(=O)Oc1ccc(C(c2ccc(OC(=O)OC3C(C)(C)C([*])C3(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1,,*Oc1ccc(C(c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1,415.15,GREA,415.15,,1,0.0,black,8,4.0,4,4,2,0.4444444444444444,0.4444444444444444,0.4444444444444444,0.8888888888888888,8.0,8,8,16,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,140.0060694,8,0,19.33333333333333,13.35842818841618,2.0,6,6,0,0,6,0,0,0,0,1.5,6,31,1,1.5434270474119955,0,6,5,3,1,2,71.06,0.0,0,9.473725907600098,396.1572885,9,20,12.339021154474938,46.64055843236281,0.8620689655172413,0,0,0,0,19,2,0,0,6,0.2580645161290322,8,1.930315568178946,0,6,5,3,1,2,71.06,0.0,0,9.473725907600098,532.1320577,17,20,14.367086845708364,57.987324313720535,0.7567567567567568,6,6,0,0,27,2,0,0,6,0.358974359,14,Polycarbonates,Polycarbonates/thiocarbonates,"[-0.2355 -0.0027 0.3072 -0.312 0.3658 0.412 0.2365 -0.1376 -0.4372 -0.4847 -0.2526 -0.7885 0.2705 -0.2645 -0.2411 -1.5741 -0.3853 -0.2694 0.2899 -0.1732 0.4874 -0.9955 0.5206 0.5686 -0.4903 0.2961 0.2734 -0.7212 -1.1877 0.1951 -0.2876 0.4226 -0.1335 -0.5082 -1.1674 0.0786 -0.2113 0.1032 -0.3381 0.2289 0.008 0.5857 0.4587 0.133 0.047 0.5054 -0.5204 -0.0082 0.8454 0.0358 0.2171 -0.2607 -0.3864 0.6483 2.033 -0.3148 0.4017 0.7093 -0.4 0.5514 0.0557 0.7011 0.7952 -0.5874 -0.43 -1.0965 0.5302 0.2052 0.1457 0.807 0.2195 -0.66 1.0838 0.6951 -0.2749 0.596 -0.1357 -1.1843 -0.4949 -1.487 0.7914 0.8297 -1.258 -0.0167 0.81 0.469 -0.4091 1.1613 0.2987 -0.1808 -0.257 0.4538 -1.9047 -0.7689 -0.3735 0.4914 0.7067 -0.2599 0.9606 -0.7215 -0.3638 0.1595 -0.5305 -0.2287 0.3106 -0.9245 -1.0179 1.0319 -0.1505 0.7496 -0.9283 0.1649 -0.0701 -0.9969 -1.1109 0.1253 -0.4704 -1.0504 0.6984 0.1149 -0.3876 0.4643 -0.2446 0.0543 -0.5652 -0.2023 0.6712 -0.5945 -0.63 0.0476 0.3056 0.6955 0.8473 -1.2259 -0.7039 0.2074 0.0554 -0.9811 -0.1574 -0.4052 -0.2744 -0.2351 -0.7499 0.4399 0.4786 0.9254 -0.5634 -1.3068 -0.1182 1.0281 -0.3965 0.7104 0.2563 -0.6675 -0.1594 0.3681 -0.3473 1.3241 -0.9111 1.094 0.3263 0.3573 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4.7277e-02 -1.1331e-01 3.3281e-01 -4.4358e-01 -7.0807e-02 -4.4998e-01 -3.5549e-01 -7.0526e-02 5.0554e-01 -3.5371e-01 -3.4932e-01 3.8837e-01 -1.3811e+00 -6.3588e-01 -6.8599e-01 -1.9421e-01 5.8135e-01 -1.1407e+00 4.7155e-01 -2.5509e-01 4.7381e-01 3.0533e-02 1.5569e-01 3.5813e-01 -6.4164e-01 -3.7819e-01 -4.2205e-01 1.2423e+00 -3.8050e-01 -8.3884e-01 -1.9389e-01 5.5725e-01 2.6419e-02 -1.0512e+00]" [*]OC([*])CCCCCC,,*OC(*)CCCCCC,157.15,GREA,157.15,,1,0.0,black,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,2.3390923149762908,0,0,3,0,0,0,0.0,0.0,0,0.0,86.10955045,6,0,2.231805555555556,39.53076089108528,0.8333333333333334,0,0,0,0,5,0,0,0,0,0.0,0,4,1,1.9747448713915887,0,1,1,0,0,0,9.23,0.0,0,0.0,30.01056468,2,0,4.902777777777778,0.0,3.5,0,0,0,0,3,0,0,0,0,0.75,3,2.8861627976234385,0,1,6,0,0,0,9.23,0.0,0,0.0,114.1044651,8,0,5.491476048752835,45.63472728,1.625,0,0,0,0,9,0,0,0,0,0.3,3,Polyoxides,Polyoxides/ethers/acetals,"[ 0.3774 -0.0602 -1.1392 0.8528 -0.2906 -0.7399 0.9254 -1.2776 0.2781 1.1996 0.2182 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-0.1627 -0.9346 -0.1995 -1.1914 0.928 0.1183 0.0383 -0.657 1.192 -0.4516 2.0178 0.7677 0.95 0.1797 -0.1353 -0.2307 -0.5588 0.9861 -0.4038 1.4494 0.5063 -1.2605 -0.4477 0.5462 1.1124 -0.2673 0.5783 1.5471 0.7392 1.5009 0.2849 0.6133 -0.6885 -0.9461 1.5711 -1.0158 2.0889 -0.397 0.1908 0.7235 -0.4993 1.5549 -0.7075 -0.8321 0.4653 0.1337 1.0328 -1.0167 0.7742 -0.4325 0.2276 -1.5823 -0.9364 1.472 0.3528 -0.0679 -0.8867 0.1526 -0.1317 -1.8152 0.3902 0.8185 0.8155 1.4519 0.5045 -0.4794 0.4271 -0.4899 -0.9226 0.3769 0.8082 -0.7361 -0.6624 0.3894 0.0184 1.0386 -0.5812 1.4194 0.6019 0.4403 -0.6572 -1.0832 0.7654 -0.9951 1.605 -0.9649 0.517 -0.1097 -1.206 -0.2353 0.125 -1.4002 0.6542 -0.3984 0.7875 0.4167 -0.3577 -0.2313 0.3692 1.6552 -0.192 -0.0751 -0.5337 2.0093 -0.5364 -0.6353 -0.2503 -0.4741 -0.7519 -1.0139]",{},"[ 0.1923 0.1577 -0.2858 -0.1375 -0.1976 -0.6722 0.7166 -0.0342 -0.7218 0.4342 -0.0673 -0.4978 0.2218 0.0536 -0.585 0.0422 -0.145 0.2955 -0.1348 0.3531 0.6522 1.1181 0.062 -0.4771 -0.234 -0.4346 -0.5089 -0.3927 0.4298 1.243 -0.1935 -0.292 -0.1451 -0.5447 -0.454 -1.1107 0.621 0.5812 -0.0246 -0.417 -0.2992 0.9896 -0.6477 -0.03 0.3367 -0.0175 -0.4124 -0.3649 0.3394 -0.0535 -0.9496 0.7579 0.2903 0.8451 0.6847 -0.1355 0.1549 0.1629 0.2381 0.4938 0.2712 0.2713 -0.238 0.3003 0.2456 0.068 -0.2659 0.0716 0.639 -0.7082 -0.2468 0.3177 0.8376 0.7662 0.3844 0.546 -0.4385 -0.6566 -0.7767 -0.4436 0.4443 1.4297 0.8839 0.2262 -0.3817 0.2313 -0.1413 -0.1337 -0.2437 0.1806 -0.2729 -0.4303 -0.3077 -0.4767 0.3818 -0.1174 -0.0964 -0.2127 -0.0427 0.0744 1.0062 -0.0018 -0.0823 -0.1962 1.5641 0.0774 -0.7016 0.7559 -0.291 -0.1497 -0.2122 0.7948 -0.0976 0.0543 -0.0874 0.2528 -0.1174 0.6286 -0.7061 0.5612 -0.0651 -0.4173 -0.3232 -0.3927 -0.5112 -0.4235 -0.2261 0.302 0.5611 -1.0835 -0.3503 -0.2842 -0.062 -0.4391 -0.1744 -0.0055 0.1619 0.0655 0.2226 0.4048 0.4523 -0.715 0.0422 0.5859 0.1746 -1.0868 0.3211 0.0875 -0.707 -0.4352 0.4747 -0.4449 -0.8035 -0.5741 0.4925 -0.0883 0.5655 -0.4703 0.1616 0.5396 0.8839 -0.3187 -1.233 0.3297 -0.5191 0.3692 0.2839 -0.2843 0.0252 0.7714 0.5343 -0.0626 0.091 0.2436 0.3429 0.6199 -0.1547 0.0935 0.0188 -0.1668 0.4689 -0.364 0.8018 -0.3511 -0.1236 -0.3721 0.1269 0.5636 -0.0093 0.1449 -0.1265 -0.3494 -0.3409 0.0632 0.9878 -0.4999 0.3314 -0.2872 -0.4584 -0.1644 0.6427 0.2745 0.1187 -0.2998 0.8686 -0.3139 0.4259 0.0286 0.1612 0.1303 0.4503 -0.6607 0.8366 0.3178 -0.1594 0.039 0.3946 -0.2997 -0.4032 -0.3312 0.3107 0.2518 -0.0374 -0.031 0.6116 -0.0845 0.1823 -0.6596 0.0141 -0.0932 0.7234 -0.7332 -0.0692 0.6281 -1.4704 -0.2337 -0.8079 -0.3769 0.3398 -0.5469 0.447 -0.6531 0.3461 -1.0061 0.4955 0.4413 -0.2689 -0.4943 -0.4991 0.9973 -0.2839 -0.6217 -0.1333 0.3121 0.0326 -0.2527]" [*]OC1=C(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)c2cccc3cccc1c23,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC1=C(*)c2cccc3cccc1c23,180.15,GREA,180.15,,1,0.0,black,7,7.0,7,7,1,1.75,1.75,1.75,1.75,3.0,3,3,3,1,3.671209331814515,0,0,4,0,0,0,0.0,0.0,0,0.0,93.07042529,0,7,3.491388888888889,0.0,0.7142857142857143,0,0,0,0,0,0,0,0,0,0.0,0,32,1,2.8099778393164505,0,7,13,1,1,0,64.61000000000001,0.0,0,0.0,523.1311377679999,23,7,6.609931727907467,78.56413624417304,0.5666666666666667,0,0,0,0,29,1,0,0,5,0.46875,15,1.7326736880518068,0,7,13,3,1,2,64.61000000000001,0.6666666666666666,0,0.0,610.1546129,23,14,6.783073081294807,78.56413624417304,0.5405405405405406,0,0,0,0,29,1,0,2,6,0.3846153846153846,15,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-0.273 -0.16 0.2956 -0.6135 -0.5008 0.0423 1.38 0.0831 0.0587 -0.1135 0.5812 -1.6732 0.1247 -0.0233 0.1619 -0.1713 -0.0708 0.2844 0.3784 -0.2549 1.2622 -0.4277 -0.6642 0.1972 -0.182 0.3486 0.7369 0.0987 -0.5889 1.2601 0.0055 0.1989 0.953 0.2173 -0.0693 0.3305 0.1001 0.0856 -0.4256 0.7377 0.0296 -0.2875 0.7397 0.4309 -0.3632 1.1317 -1.9664 -0.4388 0.2471 0.2514 -1.5658 0.3833 -0.1305 1.5787 1.0705 -0.1439 0.1471 0.6243 -0.8917 2.0339 -0.9347 0.3485 0.27 -0.2399 0.0751 0.4724 0.9515 -0.3212 0.8433 1.2977 -1.07 -0.5439 0.8607 0.3252 -0.511 1.5763 0.0239 -0.8653 -0.5832 -0.8869 -0.5199 0.722 -0.2058 0.9052 -0.6887 0.4416 -0.031 0.2368 0.078 -0.1842 0.2654 -0.1372 -1.1323 -0.2899 -0.2325 -0.1674 -1.6305 -0.1681 0.5583 -1.6478 0.7653 0.1672 0.407 -1.4178 0.154 -0.4824 -0.0247 0.196 -0.5202 0.7109 -1.1403 -0.0206 0.0939 -0.2883 0.8981 1.4641 0.0377 -0.2237 -0.0196 0.0846 -0.9563 -0.0242 -1.126 0.2313 0.7671 0.1072 0.1225 -0.3536 -0.122 -0.8673 0.485 0.0611 0.5465 -1.3433 -1.252 0.5968 -0.6757 -0.6454 -0.7839 0.6302 -1.2267 0.1166 -0.1833 1.1786 -0.6306 -0.0947 0.2289 -1.6876 0.4117 0.2204 0.1553 -0.2782 -0.4798 -0.7031 -0.6669 0.4456 0.6435 1.7185 -0.6648 0.7981 1.1991 -0.3419 0.0319 1.3538 -0.0683 0.482 0.8723 -0.9639 0.803 0.6669 1.4911 -0.2683 -0.1627 -0.435 0.2045 0.4897 0.8999 -0.1075 -0.6332 -0.005 0.1086 -0.9439 0.4455 -0.4771 -0.1372 -0.6953 0.0343 1.3261 -0.8789 0.0684 1.0981 -0.4258 0.2004 -1.1966 -1.178 -0.2826 1.1469 -0.0415 -0.5562 0.0937 -0.2099 -1.3672 -0.6627 0.1571 1.3905 -1.3674 0.4006 0.0331 -0.0594 -0.2265 1.2023 -0.3961 -0.6265 0.3799 -1.3353 1.4276 0.9626 0.3459 0.9748 0.9987 -1.6434 1.5252 0.4968 1.6407 -0.3401 -0.2059 1.2075 0.1429 0.2635 -0.4479 1.9163 0.0141 0.5254 -0.1454 -0.6905 1.6949 1.5148 -1.2117 1.0065 0.8649 0.4778 -0.7019 0.0638 -0.4799 -0.4986 0.9652 -0.1168 -0.1388 0.0622 0.6771 0.1625 -0.2899 -0.1354 -0.6306 -1.0134 -0.6488]",{},"[ 0.3616 0.1247 0.0393 -0.8029 -0.4166 -0.3112 0.5674 -0.3027 -0.1354 -0.4224 -0.1147 -0.3484 0.0306 0.1619 0.6832 -0.0754 -0.9632 -0.2481 0.2323 0.9071 0.1096 0.7928 -0.3395 0.049 0.0124 0.3141 0.1385 0.5477 0.0565 0.4605 0.2368 -0.0614 -0.0548 -0.0614 -0.2849 0.6953 0.1969 0.1513 0.0911 0.4304 0.1521 -0.2886 0.1507 0.0161 0.3234 0.4903 -0.7374 -0.1543 0.3769 0.3301 0.2846 0.2999 0.1504 0.9002 -0.3587 -0.101 -0.0736 0.0374 0.1531 0.2998 -0.418 -0.2836 -0.0157 -0.4174 -0.3118 -0.0602 -0.085 0.2681 0.9545 0.4766 0.4491 -0.232 -0.2977 0.1534 -0.5051 0.0559 0.5947 -0.6979 -0.0454 -0.7618 0.0095 0.6264 -0.4292 0.5496 -0.5893 -0.5062 -0.1516 0.5561 0.5767 -0.3108 0.4868 0.1163 -0.5677 0.31 -0.0714 -0.2665 -0.6467 0.1018 0.034 -0.9158 0.4302 -0.1351 -0.0418 -0.7643 -0.1319 0.9708 0.368 -0.2505 0.1574 0.1337 0.105 0.1581 -0.4576 -0.5162 -0.2086 0.2822 0.3062 -0.2507 0.1873 0.4549 -0.0063 0.067 -0.3654 0.0281 -0.0238 0.3664 -0.4505 0.0282 -0.0057 -0.2452 0.0083 0.0486 0.3614 -0.6189 -0.4207 0.0179 -0.4078 -0.1892 -0.0533 0.2265 -0.6199 0.2483 -0.2063 0.0417 0.4362 0.1462 0.3372 -0.8503 0.1428 0.1644 -0.4679 0.2285 0.0306 0.4053 -0.4858 0.5168 0.3315 0.7863 -0.6056 0.5624 1.794 -0.161 -0.2024 0.6238 -0.395 0.2374 0.8023 -0.6146 0.4209 -0.2453 0.1799 0.1987 -0.0842 -0.3547 0.4807 0.2446 0.607 -0.4528 0.1597 0.4612 -0.4448 -0.2455 0.1072 0.2511 -0.0889 -0.0729 -0.4139 0.2624 -0.1787 0.2059 1.171 -0.0353 0.0538 -0.4418 -0.0034 -0.4699 -0.04 -0.1281 0.3537 0.2037 -0.4757 0.2335 -0.3361 0.1334 0.3429 -0.5372 -0.0726 0.3006 -0.4216 -0.3568 0.4984 -0.0492 -0.1786 0.2247 -0.7907 0.4727 0.5953 0.3339 0.0315 0.4674 -1.2684 0.5704 0.4684 0.4521 -0.5052 0.0826 0.467 0.2612 -0.0396 -0.5918 0.059 -0.4081 0.2639 0.5777 -0.3508 0.1639 0.2564 -0.6173 0.0673 0.6464 0.2909 -0.2396 0.175 0.158 -0.4883 0.6486 0.129 -0.4543 -0.2241 0.1279 0.0559 -0.0981 0.1326 -0.1757 -0.3145 0.1715]" [*]OC1=C(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)c2cccc3cccc1c23,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC1=C(*)c2cccc3cccc1c23,219.15,GREA,219.15,,1,0.0,black,7,7.0,7,7,1,1.75,1.75,1.75,1.75,3.0,3,3,3,1,3.671209331814515,0,0,4,0,0,0,0.0,0.0,0,0.0,93.07042529,0,7,3.491388888888889,0.0,0.7142857142857143,0,0,0,0,0,0,0,0,0,0.0,0,28,1,2.781887155041643,0,6,11,1,1,0,55.38000000000001,0.0,0,0.0,449.1123464,19,7,6.547008219954648,65.47011353681087,0.6538461538461539,0,0,0,0,25,1,0,0,5,0.4642857142857143,13,1.7782609801171596,0,6,11,3,1,2,55.38000000000001,0.6666666666666666,0,0.0,536.1358215,19,14,6.740427177815571,65.47011353681087,0.6060606060606061,0,0,0,0,25,1,0,2,6,0.3714285714285714,13,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-0.4057 -0.0969 0.0776 -0.764 -0.4419 -0.0172 1.064 -0.3147 -0.1132 -0.0775 0.8922 -1.62 -0.0663 -0.1959 0.3457 -0.4672 -0.3741 0.4881 0.2375 -0.1972 1.5193 -0.3917 -0.5225 0.4159 -0.1551 0.2934 0.8201 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1.5577 -0.0667 0.618 0.6015 -1.2141 0.6994 0.1663 1.1099 -0.1436 0.0558 -0.0559 0.3736 0.7159 1.2975 0.0442 -0.2926 0.167 -0.0056 -0.9059 1.0008 -0.4608 0.311 -0.7416 -0.2338 1.5698 -1.3789 -0.0673 1.3025 0.0608 0.3494 -0.7006 -1.278 0.1374 0.8727 0.3068 -0.5442 0.4056 -0.0319 -1.1208 -0.8048 -0.0895 1.3976 -1.195 0.0394 0.576 0.026 0.3076 1.1308 -0.3475 -0.3483 -0.0449 -1.1427 1.5908 0.7786 -0.1221 0.947 0.9456 -1.3804 1.3079 0.4276 1.5298 -0.4565 -0.4852 1.1416 -0.433 0.4244 -0.2727 1.8308 -0.4811 0.5921 -0.0879 -0.4509 1.8612 1.5139 -0.7843 1.2513 1.0253 0.5151 -0.3833 -0.1616 -0.0737 -0.2096 1.1035 0.1125 -0.2823 -0.2394 0.5809 0.4882 -0.2876 -0.1986 -0.5035 -0.8465 -0.4195]",{},"[ 0.235 0.2438 0.0984 -0.6607 -0.4972 -0.5024 0.4759 -0.3198 0.0847 0.0568 -0.0377 -0.301 -0.3936 0.0093 0.8132 -0.1587 -0.7762 -0.235 0.353 0.6395 0.0625 0.7057 -0.3358 -0.0243 0.0333 0.392 0.2674 0.8523 0.1302 0.6054 0.1734 -0.2822 -0.2603 -0.0101 -0.293 0.5827 0.2222 0.2187 0.0261 0.5398 0.0732 -0.2565 0.2262 -0.0553 0.3904 0.5072 -0.5905 -0.3178 0.2572 0.5982 0.1195 0.2561 -0.1237 0.7804 -0.4314 -0.1188 -0.1681 0.0893 -0.0861 0.3754 -0.2128 -0.3682 -0.0311 -0.3638 -0.4179 0.0021 0.0131 0.222 1.0127 0.457 0.2396 -0.6106 -0.4543 0.1812 -0.5586 0.1478 0.5135 -0.5371 -0.0461 -0.7395 -0.0428 0.4925 -0.3796 0.3788 -0.4346 -0.3896 -0.024 0.4767 0.4686 -0.3563 0.2291 0.1291 -0.4374 0.1036 -0.1169 -0.3295 -0.6085 0.2357 0.2248 -0.7262 0.1997 -0.3005 0.0908 -0.5697 -0.3045 0.902 0.4132 -0.116 0.2337 -0.0325 0.1523 0.0865 -0.4014 -0.3441 -0.2091 0.2419 0.1404 -0.1906 0.4536 0.699 0.0024 0.2416 -0.6646 0.1519 -0.1837 0.3296 -0.2018 0.1247 -0.0996 -0.2139 -0.0599 -0.0776 0.3905 -0.5377 -0.3771 0.0933 -0.4739 -0.0805 0.0468 0.2173 -0.7403 0.4143 -0.2599 0.1654 0.3149 0.3146 0.4986 -0.5829 0.2 0.1183 -0.4246 0.2805 0.025 0.2833 -0.4623 0.5148 0.4488 0.796 -0.4425 0.6577 1.2635 -0.147 -0.414 0.4976 -0.1544 0.263 0.8604 -0.7001 0.4565 -0.2458 0.2462 0.0497 0.0095 -0.2834 0.4506 0.164 0.4127 -0.2836 0.0435 0.583 -0.4517 -0.4124 0.2803 0.0122 -0.0245 0.1482 -0.2106 0.123 -0.2134 0.3629 1.1088 0.0893 -0.1837 -0.561 -0.1489 -0.2062 -0.0936 -0.0404 0.1785 0.237 -0.4885 0.15 -0.3989 0.1624 0.2637 -0.6172 -0.0068 0.189 -0.5289 -0.5248 0.5639 -0.0385 -0.2534 0.2388 -0.5794 0.3916 0.5605 0.5804 -0.0285 0.5761 -1.157 0.7261 0.531 0.2748 -0.359 0.1834 0.392 0.1498 0.0122 -0.3422 0.1467 -0.4796 0.0976 0.4388 -0.2384 0.2686 0.5166 -0.5964 0.1182 0.5705 0.2414 -0.3201 0.0229 0.2545 -0.2697 0.6217 -0.1028 -0.1893 -0.2135 0.143 -0.0521 -0.0277 0.0704 -0.224 -0.4579 0.1737]" [*]OC1=C(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)c2cccc3cccc1c23,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC1=C(*)c2cccc3cccc1c23,230.15,GREA,230.15,,1,0.0,black,7,7.0,7,7,1,1.75,1.75,1.75,1.75,3.0,3,3,3,1,3.671209331814516,0,0,4,0,0,0,0.0,0.0,0,0.0,93.07042529,0,7,3.491388888888889,0.0,0.7142857142857143,0,0,0,0,0,0,0,0,0,0.0,0,24,1,2.7502377913513483,0,5,9,1,1,0,46.150000000000006,0.0,0,0.0,375.0935551,15,7,6.456831223230033,52.37609082944869,0.7727272727272727,0,0,0,0,21,1,0,0,5,0.4583333333333333,11,1.8423809649809864,0,5,9,3,1,2,46.150000000000006,0.6666666666666666,0,0.0,462.1170302,15,14,6.687954813869993,52.37609082944869,0.6896551724137931,0,0,0,0,21,1,0,2,6,0.3548387096774194,11,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-2.0361e-01 -1.9315e-01 3.1354e-01 -4.9675e-01 -5.0079e-01 1.6943e-01 1.1669e+00 -2.6273e-01 1.2834e-01 -8.9773e-02 6.8870e-01 -1.3778e+00 -2.0952e-01 1.0979e-02 6.9990e-01 -2.9563e-01 -2.7121e-01 4.1618e-01 5.1943e-01 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-4.6553e-01 4.5271e-01 -1.6472e-01 5.0079e-01 -4.2444e-01 2.8522e-01 -1.3654e-03 -2.6516e-01 6.3833e-01 1.0377e+00 6.8779e-02 -3.4635e-01 -7.5185e-02 5.0282e-01 -7.1596e-01 -1.1797e-01 -9.5100e-01 -2.8071e-01 2.5035e-01 -4.2225e-02 2.4506e-01 -3.2412e-01 -1.4570e-01 -7.6928e-01 4.6420e-01 5.8947e-02 2.8527e-01 -1.0169e+00 -1.1252e+00 3.5014e-01 -1.0948e+00 -5.0283e-01 -8.6577e-01 3.3698e-01 -1.1486e+00 5.1397e-02 -4.1479e-01 8.7774e-01 -5.2270e-01 -1.6143e-01 -5.0077e-02 -1.0896e+00 4.7730e-01 3.6025e-01 -3.0385e-01 -1.5910e-01 -7.6009e-01 -4.2504e-01 -5.0372e-01 1.1457e-01 4.7483e-01 1.4925e+00 -5.3183e-01 5.2451e-01 9.9916e-01 -5.9851e-02 2.5197e-01 1.5370e+00 3.1887e-02 7.8243e-01 6.1670e-01 -1.1216e+00 4.3611e-01 1.0206e-01 1.3829e+00 -4.4509e-01 3.6552e-03 -3.7294e-02 3.3646e-01 3.6090e-01 9.8817e-01 -9.1982e-02 -4.6860e-01 5.0232e-02 -2.1237e-01 -7.2272e-01 7.2015e-01 -3.5216e-01 -4.6675e-03 -5.7569e-01 4.2170e-03 1.3209e+00 -1.0530e+00 1.6938e-01 1.0124e+00 1.4389e-02 1.9054e-01 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[*]OC1C(CO)OC([*])C(N)C1O,,*OC1C(CO)OC(*)C(N)C1O,467.15,GREA,467.15,,1,0.0,black,2,2.0,2,2,1,0.5,0.5,0.5,0.5,3.0,3,3,3,1,1.0,1,1,0,0,0,0,20.23,0.0,0,0.0,32.02621475,2,0,7.0,0.0,1.5,0,0,0,0,1,0,0,0,0,0.5,1,11,1,2.516424270605089,2,4,1,1,1,0,64.71000000000001,0.0,1,5.733667477162185,131.0582431,9,0,9.55787037,24.85665556915748,2.0,0,0,0,0,11,0,0,0,6,0.5454545454545454,6,2.686091484209442,3,5,2,1,1,0,84.94,0.0,1,5.733667477162185,161.0688078,11,0,9.748287037037038,30.96062195690579,1.818181818181818,0,0,0,0,13,0,0,0,6,0.5384615384615384,7,Polyoxides,Polyoxides/ethers/acetals,"[-0.6473 -0.0258 -0.1247 -0.1149 -0.4791 -1.563 -0.2882 -0.4857 -0.6931 0.3585 -0.3004 -0.8533 -0.9572 -0.3852 -0.8625 0.2629 0.1579 0.4396 0.2829 -1.0641 0.2869 1.4023 0.025 -0.2921 -0.5777 0.3541 -0.0066 -0.3629 -0.5324 -0.1768 0.2647 -0.4671 -0.2377 -0.6481 -1.2065 -1.58 1.4412 -0.2628 -1.0516 1.0208 -0.6163 -0.1522 0.0666 -0.9315 0.0193 0.2704 -0.5372 -0.8105 -0.1034 0.1257 -1.3716 1.0871 -0.1926 0.9741 -0.6043 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0.4847 -0.3796 -0.1489 0.3123 -0.0114 -0.0176 0.8517 0.3724 0.3786 0.3707 0.5966 0.5695 0.3263 -0.4665 0.0675 0.3112 -0.0794 0.1357 0.5709 0.3426 0.5866 0.0983 0.333 0.2555 0.3247 0.2058 -0.2856 -0.3406 0.4089 -0.1113 0.108 0.2459 0.6094 0.1684 0.2252 -0.2367 -0.7449 -0.0175 -0.3929 0.0423 -0.0557 0.3366 -0.0734 -0.587 -0.3879 -0.087 -0.3797 -0.408 0.3222 -0.1137 -0.0579 -0.1508]" [*]OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC([*])=O,,*CC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)O*,232.15,GREA,232.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,20,1,5.412333844437892,0,3,7,0,0,0,35.53,0.0,0,0.0,288.0032697,15,3,13.062673374905518,23.690116672378306,0.9444444444444444,8,8,0,0,18,1,0,0,0,0.65,13,5.412333844437892,0,3,7,0,0,0,35.53,0.0,0,0.0,288.0032697,15,3,13.062673374905518,23.690116672378306,0.9444444444444444,8,8,0,0,18,1,0,0,0,0.65,13,Polycarbonates,Polycarbonates/thiocarbonates,"[-2.1808e-01 -2.7208e-01 -2.8285e-01 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[*]OCC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cc(C([*])=O)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cc(C(=O)O*)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,300.15,GREA,300.15,,1,0.0,black,22,22.0,22,22,1,4.4,4.4,4.4,4.4,4.0,4,4,4,1,6.235713617456157,0,0,5,0,0,0,0.0,0.0,0,0.0,369.9838733,22,0,12.567916666666669,42.21438910277555,0.4090909090909091,15,15,0,0,21,0,0,0,0,0.6818181818181818,15,25,1,2.8937929795864683,0,4,8,1,0,1,52.6,0.0,0,0.0,342.03267805599995,12,11,13.517611069119004,17.76758750428373,1.0434782608695652,6,6,0,0,17,2,0,0,6,0.48,12,3.741317048993822,0,4,14,1,0,1,52.6,0.0,0,0.0,710.0009013239999,34,11,14.7301593,59.479061030294666,0.5555555555555556,21,21,0,0,39,2,0,0,6,0.574468085,27,Polyesters,Polyesters/thioesters,"[-0.3041 -0.3379 0.7273 0.9064 0.8005 0.0356 -0.2407 -0.5685 -1.6417 -0.4392 -0.7463 -1.3735 -0.8279 -0.6036 -1.4269 -0.9676 -1.3794 0.0831 -1.0227 0.1815 -0.5501 -0.585 -0.7007 1.4049 1.0952 -1.3983 -0.6838 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[*]OCC(F)(F)C(F)(F)C(F)(F)COc1nc(F)nc([*])c1F,,*OCC(F)(F)C(F)(F)C(F)(F)COc1nc(F)nc(*)c1F,273.15,GREA,273.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,23,1,2.9909986956580106,0,4,7,1,0,1,44.24,0.0,1,10.933706525413124,324.01450312800006,14,7,13.46164607936456,17.76758750428373,1.0,8,8,0,0,17,0,0,0,6,0.6086956521739131,14,2.9909986956580106,0,4,7,1,0,1,44.24,0.0,1,10.933706525413124,324.01450312800006,14,7,13.46164607936456,17.76758750428373,1.0,8,8,0,0,17,0,0,0,6,0.6086956521739131,14,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-1.1578e+00 -1.1497e+00 7.3821e-02 7.5433e-01 1.2117e+00 -5.9176e-01 1.3343e+00 1.7785e-01 -1.3832e+00 9.8952e-01 2.7746e-01 -2.5377e+00 -2.1829e+00 3.1314e-02 -1.1646e+00 -1.8281e+00 -1.4329e-01 -1.0042e+00 -4.4788e-01 -6.0311e-01 -9.9342e-01 3.3753e-01 -3.8758e-02 -2.6587e-01 5.1382e-01 -5.6937e-01 -9.8160e-01 -1.8615e+00 -1.0870e+00 -6.6744e-01 2.9692e-01 -3.0670e-01 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[*]OCCCCCc1nnc(-c2ccc(-c3nnc(CCCCCOc4ccc([*])c(C)c4)o3)cc2)o1,,*CCCCCOc1ccc(OCCCCCc2nnc(-c3ccc(-c4nnc(*)o4)cc3)o2)c(C)c1,368.15,GREA,368.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,37,1,1.184528438358913,0,8,15,4,0,4,96.3,0.0,2,10.803230022261658,474.22670543999993,12,23,5.887982800534372,58.29031018309871,0.7428571428571429,0,0,0,0,18,0,0,0,6,0.2702702702702703,10,1.184528438358913,0,8,15,4,0,4,96.3,0.0,2,10.803230022261658,474.22670543999993,12,23,5.887982800534372,58.29031018309871,0.7428571428571429,0,0,0,0,18,0,0,0,6,0.2702702702702703,10,Polyoxides,"Polyoxides/ethers/acetals, Polyimines","[-3.0061e-01 6.0167e-01 2.2423e-01 1.4122e+00 -1.1132e+00 1.3930e+00 2.9685e-01 -3.0831e-01 -4.0950e-01 3.2507e-01 6.2101e-01 -1.9973e+00 -1.0918e+00 8.1406e-01 2.6575e-01 5.7643e-01 -2.8993e-02 -1.3321e-02 4.8966e-01 -7.5485e-01 1.4827e+00 -2.0382e+00 -6.1523e-01 6.8282e-01 -1.1284e+00 2.4020e+00 1.6491e+00 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[*]O[Si](C)(C)O[Si](C)(C)O[SiH]([*])O[Si](C)(C)C=C,,*O[Si](C)(C)O[Si](C)(C)O[SiH](*)O[Si](C)(C)C=C,205.15,GREA,205.15,,1,0.0,black,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,3.445991214,1,1,1,0,0,0,20.23,0.0,0,0.0,102.0500915,4,2,8.847222222222221,13.094022707362171,1.6666666666666667,0,0,0,0,4,1,0,0,0,0.3333333333333333,2,12,1,4.035599341042063,0,3,5,0,0,0,27.69,0.0,0,0.0,194.0250739,10,0,5.985416666666667,26.188045414724343,1.3,0,0,0,0,11,0,0,0,0,0.6666666666666666,8,4.445557488096116,0,4,8,0,0,0,36.92,0.0,0,0.0,294.0595153,14,2,6.227083333333334,39.28206812208652,1.125,0,0,0,0,16,1,0,0,0,0.5555555555555556,10,Polysiloxanes,Polysiloxanes/silanes,"[-0.4613 -0.1057 0.6417 -0.4593 -0.6263 -0.0688 1.3818 0.1015 0.0038 -0.206 -0.0082 -1.9756 0.0467 -0.1977 -0.1838 0.3372 0.0056 1.1279 0.2307 -0.437 1.2817 -0.5508 -1.419 0.1124 -1.048 0.1162 1.511 -0.1373 -0.1619 0.592 -1.1677 0.315 1.0267 0.359 -1.2438 0.3081 -0.326 -0.3929 -0.4673 1.1524 -0.0383 -0.2872 0.4045 0.574 -1.229 0.4129 -1.2046 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-6.0419e-01 6.0354e-01 5.0497e-01 1.2201e-01 -1.7416e-01 7.8586e-01 1.6086e-01 4.8341e-02 5.3849e-01 -7.4736e-01 9.3461e-02 4.1237e-01 5.8132e-01 -1.2029e-01 1.1165e-01 2.3324e-02 1.3125e-01 1.5497e-01 -2.9320e-01 6.6319e-02 -5.4603e-01 -1.9976e-01 4.3601e-01 2.4299e-02 3.4936e-01 3.9937e-01 -5.8879e-01 1.8328e-01 -1.4748e-01 2.2879e-01 -6.3667e-01 8.3506e-02 8.6418e-02 3.0136e-01 5.6122e-01 -1.6657e-01 -2.1154e-02 -4.5583e-01 3.5184e-01 2.9005e-01 -8.6557e-01 7.7186e-02 1.4619e-02 -4.9738e-01 1.6646e-01]" [*]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)cc2)cc1,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](*)(C)C)cc2)cc1,208.15,GREA,208.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,38,1,2.077825741365602,0,6,13,2,0,2,55.38000000000001,0.0,0,15.110314245174964,596.1753483,23,13,6.731693451698705,78.56413624417304,0.5,0,0,0,0,27,0,0,0,6,0.3684210526315789,14,2.077825741365602,0,6,13,2,0,2,55.38000000000001,0.0,0,15.110314245174964,596.1753483,23,13,6.731693451698705,78.56413624417304,0.5,0,0,0,0,27,0,0,0,6,0.3684210526315789,14,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-4.4488e-01 5.7314e-01 4.8258e-01 -5.5734e-01 -2.6118e-01 8.3243e-01 8.8052e-01 -1.4840e-01 -4.0902e-01 -3.4010e-01 1.9013e-01 -2.1760e+00 3.9798e-02 -6.1013e-02 -1.6707e-01 -7.8283e-01 -2.8895e-01 5.7754e-01 4.1250e-01 -5.9100e-01 1.5521e+00 -1.2637e+00 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[*]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc([Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)cc1,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,193.15,GREA,193.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,31,1,3.0063470595710444,0,5,11,1,0,1,46.150000000000006,0.0,0,10.373451291374916,504.1491336,23,6,6.754501662755816,78.56413624417304,0.5517241379310345,0,0,0,0,25,0,0,0,6,0.4193548387096774,13,3.0063470595710444,0,5,11,1,0,1,46.150000000000006,0.0,0,10.373451291374916,504.1491336,23,6,6.754501662755816,78.56413624417304,0.5517241379310345,0,0,0,0,25,0,0,0,6,0.4193548387096774,13,Polysiloxanes,Polysiloxanes/silanes,"[-0.1905 0.7274 0.4259 -0.4773 -0.4019 0.1687 1.3122 -0.1226 -0.2644 -0.4539 0.2113 -1.8187 0.2107 -0.1783 -0.2518 -0.3509 -0.2393 0.7836 0.2536 -0.4683 1.4547 -0.8175 -0.5891 0.4182 -0.6806 0.2768 0.8998 -0.2485 -0.1522 1.2092 -0.7295 0.0633 0.5809 -0.03 -0.5959 0.3461 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[*]O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)cc2)cc1,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](*)(C)C)cc2)cc1,221.15,GREA,221.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,34,1,2.0819640658688696,0,5,11,2,0,2,46.150000000000006,0.0,0,15.110314245174964,522.156557,19,13,6.712403203,65.47011353681087,0.5625,0,0,0,0,23,0,0,0,6,0.3529411764705882,12,2.0819640658688696,0,5,11,2,0,2,46.150000000000006,0.0,0,15.110314245174964,522.156557,19,13,6.712403203,65.47011353681087,0.5625,0,0,0,0,23,0,0,0,6,0.3529411764705882,12,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-4.6612e-01 4.9155e-01 2.9688e-01 -7.3183e-01 -2.3076e-01 4.1936e-01 8.5314e-01 -6.7736e-02 -2.1349e-01 -3.4944e-01 1.5749e-02 -1.9095e+00 8.3688e-02 1.0144e-01 8.5438e-02 -8.0887e-01 -3.6035e-01 7.0806e-01 4.9435e-01 -7.0275e-01 1.5707e+00 -8.3719e-01 -5.5529e-01 2.8124e-01 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[*]O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](C)(C)O[Si]([*])(C)C)cc2)cc1,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](*)(C)C)cc2)cc1,236.15,GREA,236.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,30,1,2.089280245409267,0,4,9,2,0,2,36.92,0.0,0,15.110314245174964,448.1377656,15,13,6.594833758645286,52.37609082944869,0.6428571428571429,0,0,0,0,19,0,0,0,6,0.3333333333333333,10,2.089280245409267,0,4,9,2,0,2,36.92,0.0,0,15.110314245174964,448.1377656,15,13,6.594833758645286,52.37609082944869,0.6428571428571429,0,0,0,0,19,0,0,0,6,0.3333333333333333,10,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-0.5481 0.6156 0.3278 -0.6432 -0.1634 0.6013 0.7244 0.3641 0.0307 -0.2082 -0.023 -1.7315 -0.0549 0.3076 0.4253 -0.6776 -0.1243 0.518 0.4509 -0.3519 1.2405 -0.8605 -0.5043 0.1789 -0.5502 0.1825 1.3034 -0.2856 -0.8353 1.3241 -0.8017 -0.0706 1.366 0.7513 -0.4927 -0.1019 -0.2753 0.1767 -0.4701 0.552 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[*]O[Si](C)(C)O[Si](C)(C)c1ccc([Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)cc1,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,201.15,GREA,201.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,27,1,2.9970652794327126,0,4,9,1,0,1,36.92,0.0,0,10.373451291374916,430.1303422,19,6,6.7163501774889465,65.47011353681087,0.64,0,0,0,0,21,0,0,0,6,0.4074074074074074,11,2.9970652794327126,0,4,9,1,0,1,36.92,0.0,0,10.373451291374916,430.1303422,19,6,6.7163501774889465,65.47011353681087,0.64,0,0,0,0,21,0,0,0,6,0.4074074074074074,11,Polysiloxanes,Polysiloxanes/silanes,"[-2.0031e-01 5.1499e-01 3.8410e-01 -4.8142e-01 -3.6983e-01 1.0792e-01 1.1654e+00 -1.0811e-01 -1.4881e-01 -5.5401e-01 5.2952e-01 -2.0251e+00 4.1648e-01 -1.7061e-01 -2.3768e-01 -5.9775e-01 -2.2030e-01 5.4663e-01 1.8427e-01 -3.2622e-01 1.3968e+00 -7.9916e-01 -3.7169e-01 5.2320e-01 -7.2318e-01 -2.1410e-02 1.2253e+00 -3.2244e-01 -2.1771e-01 1.4294e+00 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[*]O[Si](C)(C)O[Si](C)(C)c1cccc([Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)c1,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1cccc([Si](*)(C)C)c1,198.15,GREA,198.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,27,1,3.124889848,0,4,9,1,0,1,36.92,0.0,0,10.373451291374916,430.1303422,19,6,6.776025801524314,65.47011353681087,0.72,0,0,0,0,21,0,0,0,6,0.4074074074074074,11,3.124889848,0,4,9,1,0,1,36.92,0.0,0,10.373451291374916,430.1303422,19,6,6.776025801524314,65.47011353681087,0.72,0,0,0,0,21,0,0,0,6,0.4074074074074074,11,Polysiloxanes,Polysiloxanes/silanes,"[ 0.1026 0.5881 0.3852 -0.2653 -0.2069 0.0085 1.0134 -0.195 -0.1205 -0.3501 0.0875 -1.9943 0.4485 0.1286 -0.0643 -0.5688 -0.442 0.3702 -0.05 -0.4842 1.2523 -0.9606 -0.344 0.2599 -0.6775 0.5272 1.3431 -0.444 -0.1574 1.3046 -0.5641 0.177 0.4652 -0.0091 -0.6672 0.2518 -0.0198 0.1327 -0.2891 0.6539 -0.1317 -0.3331 1.1101 0.6994 -0.6666 0.5205 -1.225 -0.4945 0.4204 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[*]O[Si](C)(C)O[Si](C)(O[Si]([*])(C)C)c1c(F)c(F)c(F)c(F)c1F,,*O[Si](C)(C)O[Si](C)(C)O[Si](*)(C)c1c(F)c(F)c(F)c(F)c1F,190.15,GREA,190.15,,1,0.0,black,11,11.0,11,11,1,2.75,2.75,2.75,2.75,3.0,3,3,3,1,3.455546483817784,0,0,0,1,0,1,0.0,0.0,0,0.0,167.9998411,5,6,12.022407407407409,0.0,0.6363636363636364,5,5,0,0,5,0,0,0,6,0.4545454545454545,5,13,1,3.943967865514924,0,3,5,0,0,0,27.69,0.0,0,0.0,208.040724,11,0,6.0245138888888885,32.735056768405435,1.2727272727272727,0,0,0,0,12,0,0,0,0,0.6153846153846154,8,3.6844914059503626,0,3,6,1,0,1,27.69,0.0,0,5.186725645687458,374.0249150300001,16,6,14.332066956412197,32.735056768405435,0.7727272727272727,5,5,0,0,18,0,0,0,6,0.5416666666666666,13,Polysiloxanes,Polysiloxanes/silanes,"[-0.8218 0.3558 0.6002 -0.4459 0.8337 -0.5705 1.2389 -0.3128 -0.671 0.1617 0.5145 -1.7879 -0.947 -0.0936 -0.9497 -1.9089 -0.0314 0.5255 -0.3641 -0.892 -0.0195 -0.5693 -0.095 -0.6821 -0.1765 -0.0192 0.1501 -0.7495 -0.5344 0.4131 -0.5673 -0.7021 0.6426 0.1082 -0.6873 0.3884 1.5694 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[*]O[Si](C)(C)O[Si](C)(c1ccccc1)c1cccc([Si](C)(O[Si](C)(C)O[Si]([*])(C)C)c2ccccc2)c1,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(c1ccccc1)c1cccc([Si](*)(C)c2ccccc2)c1,231.15,GREA,231.15,,1,0.0,black,12,6.0,6,6,2,1.1,1.0,1.2,2.2,4.5,4,5,9,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,25,1,2.860090353351679,0,4,9,1,0,1,36.92,0.0,0,10.373451291374916,402.0990421,17,6,6.555598742,52.37609082944869,0.9130434782608696,0,0,0,0,19,0,0,0,6,0.44,11,2.183536473510501,0,4,11,3,0,3,36.92,0.0,0,20.74690258274984,554.1616423,17,18,7.267944263,52.37609082944869,0.5142857142857142,0,0,0,0,21,0,0,0,6,0.2972972972972973,11,Polysiloxanes,Polysiloxanes/silanes,"[ 1.6984e-02 4.5367e-01 1.4807e-01 -1.3518e-01 1.3281e-01 -8.5258e-02 8.7300e-01 -4.8136e-02 -1.3525e-01 -3.0223e-01 -4.0071e-01 -1.8627e+00 3.6887e-01 2.6041e-01 3.0866e-01 -4.0461e-01 -4.3545e-01 4.7567e-01 3.5357e-01 -1.6510e-02 1.3237e+00 -5.1345e-01 -4.3046e-01 1.4160e-01 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[*]O[Si](C)(C)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc([Si]([*])(C)C)cc5C4=O)cc3)cc1)C2=O,,*c1ccc(Cc2ccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,505.15,GREA,505.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,44,1,1.163012765140222,0,5,7,6,2,4,83.99000000000001,0.3333333333333333,2,20.173270753075872,588.1536751,8,34,13.318718204955372,32.60886703765036,0.5952380952380952,0,0,0,0,21,4,0,2,6,0.25,11,1.163012765140222,0,5,7,6,2,4,83.99000000000001,0.3333333333333333,2,20.173270753075872,588.1536751,8,34,13.318718204955372,32.60886703765036,0.5952380952380952,0,0,0,0,21,4,0,2,6,0.25,11,Polyimides,"Polyimides/thioimides, Polysiloxanes/silanes","[-5.2324e-01 1.2793e-01 -1.8161e-01 -5.0522e-01 -1.0230e+00 3.4398e-01 6.5921e-01 2.4417e-01 -4.9528e-01 -5.3917e-01 -3.1125e-01 -9.3711e-01 -1.1615e+00 1.0409e+00 1.2964e+00 -9.3395e-01 -6.7885e-01 -3.4372e-01 -6.5405e-01 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[*]O[Si](C)(C)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(-c4nnc(-c5ccc(Oc6ccc(N7C(=O)c8ccc([Si]([*])(C)C)cc8C7=O)cc6)cc5)o4)cc3)cc1)C2=O,,*c1ccc(Oc2ccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(-c8nnc(*)o8)cc7)cc5)C6=O)cc4C3=O)cc2)cc1,463.65,GREA,463.65,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,62,1,0.8059908705811177,0,10,11,9,2,7,141.37,0.2222222222222222,3,29.646996660675967,826.1915171080002,7,53,13.386606988429197,26.188045414724343,0.5,0,0,0,0,25,4,0,2,6,0.2580645161290322,16,0.8059908705811177,0,10,11,9,2,7,141.37,0.2222222222222222,3,29.646996660675967,826.1915171080002,7,53,13.386606988429197,26.188045414724343,0.5,0,0,0,0,25,4,0,2,6,0.2580645161290322,16,Polyimides,"Polyimides/thioimides, Polyoxides/ethers/acetals, Polyimines, Polysiloxanes/silanes","[-1.4080e+00 -6.7668e-02 -8.4706e-01 -5.9694e-01 -8.3390e-01 3.9996e-01 9.8055e-01 2.2397e-01 -6.7543e-01 -1.8281e-01 1.8859e-02 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[*]O[Si](C)(C)c1ccc2c(c1)C(=O)N(c1cccc(Cc3cccc(N4C(=O)c5ccc([Si](C)(C)O[Si]([*])(C)C)cc5C4=O)c3)c1)C2=O,,*c1cccc(Cc2cccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,481.15,GREA,481.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,48,1,1.2334799304789592,0,6,9,6,2,4,93.22,0.3333333333333333,2,20.173270753075872,662.1724663980001,12,34,13.711013411385643,45.70288974501253,0.5869565217391305,0,0,0,0,25,4,0,2,6,0.2708333333333333,13,1.2334799304789592,0,6,9,6,2,4,93.22,0.3333333333333333,2,20.173270753075872,662.1724663980001,12,34,13.711013411385643,45.70288974501253,0.5869565217391305,0,0,0,0,25,4,0,2,6,0.2708333333333333,13,Polyimides,"Polyimides/thioimides, Polysiloxanes/silanes","[-0.3131 -0.0656 0.1474 -0.6478 -0.4697 -0.0276 0.7829 0.2145 -0.2716 -0.499 -0.3608 -1.3039 -0.5651 1.6104 0.9161 -1.3421 -1.1234 -0.2346 -0.8415 0.4183 -0.2128 -0.6899 -0.3105 0.6784 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[*]O[Si](C)(C)c1ccc2c(c1)C(=O)N(c1cccc(Cc3cccc(N4C(=O)c5ccc([Si]([*])(C)C)cc5C4=O)c3)c1)C2=O,,*c1cccc(Cc2cccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,490.15,GREA,490.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,44,1,1.2509402301028312,0,5,7,6,2,4,83.99000000000001,0.3333333333333333,2,20.173270753075872,588.1536751,8,34,13.498840242145182,32.60886703765036,0.6190476190476191,0,0,0,0,21,4,0,2,6,0.25,11,1.2509402301028312,0,5,7,6,2,4,83.99000000000001,0.3333333333333333,2,20.173270753075872,588.1536751,8,34,13.498840242145182,32.60886703765036,0.6190476190476191,0,0,0,0,21,4,0,2,6,0.25,11,Polyimides,"Polyimides/thioimides, Polysiloxanes/silanes","[-0.1002 -0.0535 0.0471 -0.5257 -0.846 0.019 0.6251 0.1698 -0.4442 -0.4029 -0.3292 -1.1282 -0.9615 1.3048 0.8898 -1.1544 -0.8255 -0.2483 -1.0653 0.3892 -0.4091 -0.2721 0.2266 0.7716 -0.2001 0.7542 0.7516 0.0955 -0.6656 0.6285 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[*]O[Si](C)(C)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc(-c4nnc(-c5ccc(Oc6cccc(N7C(=O)c8ccc([Si]([*])(C)C)cc8C7=O)c6)cc5)o4)cc3)c1)C2=O,,*c1ccc(Oc2cccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(c5cccc(Oc7ccc(-c8nnc(*)o8)cc7)c5)C6=O)cc4C3=O)c2)cc1,438.15,GREA,438.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,62,1,0.8411355370479322,0,10,11,9,2,7,141.37,0.2222222222222222,3,29.646996660675967,826.1915171080002,7,53,13.522434218978155,26.188045414724343,0.5166666666666667,0,0,0,0,25,4,0,2,6,0.2580645161290322,16,0.8411355370479322,0,10,11,9,2,7,141.37,0.2222222222222222,3,29.646996660675967,826.1915171080002,7,53,13.522434218978155,26.188045414724343,0.5166666666666667,0,0,0,0,25,4,0,2,6,0.2580645161290322,16,Polyimides,"Polyimides/thioimides, Polyoxides/ethers/acetals, Polyimines, Polysiloxanes/silanes","[-1.1549e+00 -1.8372e-01 -9.1807e-01 -5.2887e-01 -6.5544e-01 1.2175e-01 1.0706e+00 1.8424e-01 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[*]O[Si]([*])(C([2H])([2H])[2H])C([2H])([2H])[2H],,*O[Si](*)(C([2H])([2H])[2H])C([2H])([2H])[2H],148.15,GREA,148.15,,1,0.0,black,8,4.0,4,4,2,2.0,2.0,2.0,4.0,1.0,1,1,2,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,32.06260026,2,0,11.833333333333334,14.709615388120588,8.0,0,0,0,0,6,0,0,0,0,1.5,6,4,1,1.9747448713915887,0,1,1,0,0,0,9.23,0.0,0,0.0,45.98749121,2,0,5.041666666666666,0.0,3.5,0,0,0,0,3,0,0,0,0,1.0,4,4.951010560684259,0,1,3,0,0,0,9.23,0.0,0,0.0,80.05645181799999,4,0,7.154020061728395,12.950332542572284,2.75,0,0,0,0,11,0,0,0,0,0.8333333333333334,10,Polysiloxanes,Polysiloxanes/silanes,"[-0.7714 0.2441 -0.7524 -0.1607 0.7325 -0.7636 1.1662 -0.2609 -0.5051 1.3657 -0.0149 0.3834 -1.2012 -0.2409 0.075 1.0067 0.4116 1.0064 -0.4343 -0.1041 -0.0345 0.2684 -0.3227 -0.0492 -0.268 -1.1154 1.9661 -0.4773 -0.3439 0.8179 -1.3592 -1.1052 0.9081 0.1955 -0.7084 0.1142 0.1592 -0.8371 -0.799 1.2463 0.8117 -0.9574 0.3397 0.1258 -1.1217 0.5826 0.7179 -0.226 0.528 0.4179 -0.5389 0.7524 0.7626 1.7711 0.4643 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[*]O[Si]([*])(C)C1CC2CC1C1C3CC(CC3C(=O)OC(C)(C)C)C21,,*O[Si](*)(C)C1CC2CC1C1C3CC(CC3C(=O)OC(C)(C)C)C21,363.15,GREA,363.15,,1,0.0,black,19,19.0,19,19,1,9.5,9.5,9.5,9.5,1.0,1,1,1,1,1.5189168630036396,0,2,1,4,4,0,26.3,0.75,0,0.0,262.1932801,16,3,12.423365221088437,58.476370524685606,0.9473684210526316,0,0,0,0,21,1,0,3,5,0.1052631578947368,2,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.535046850690548,0,3,3,4,4,0,35.53,0.75,0,0.0,320.1807713,19,3,12.764303232867222,64.14374045559254,1.1363636363636365,0,0,0,0,26,1,0,3,5,0.25,6,Polysiloxanes,Polysiloxanes/silanes,"[ 1.2884e+00 4.5891e-01 -1.7087e-01 2.5252e-01 -3.0652e-01 -2.5659e-01 1.1640e+00 -1.5278e-02 -5.3676e-01 8.1480e-01 6.1131e-01 -4.7364e-01 -2.4729e-01 7.5710e-01 7.2273e-01 -2.8929e-02 6.1438e-01 2.4626e-01 -6.7804e-01 1.2066e-01 2.2355e-01 -2.4521e-01 -1.5569e-01 1.1458e+00 5.0720e-02 2.3489e-02 3.2243e-01 -5.2347e-01 4.4011e-02 3.1461e-01 -2.8682e-01 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[*]O[Si]([*])(C)C1CC2CC1CC2OC(=O)OC(C)(C)C,,*O[Si](*)(C)C1CC2CC1CC2OC(=O)OC(C)(C)C,333.15,GREA,333.15,,1,0.0,black,15,15.0,15,15,1,7.5,7.5,7.5,7.5,1.0,1,1,1,1,1.801087738282254,0,3,1,2,2,0,35.53,0.5,0,0.0,212.1412445,11,4,11.44652730536659,58.15951528950789,1.2,0,0,0,0,15,1,0,1,5,0.2,3,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.878756749016511,0,4,3,2,2,0,44.760000000000005,0.5,0,0.0,270.1287357,14,4,11.787465317145376,63.82688522041482,1.3333333333333333,0,0,0,0,20,1,0,1,5,0.35,7,Polysiloxanes,Polysiloxanes/silanes,"[ 0.5574 0.5243 0.05 -0.0104 -0.1716 0.1757 0.7203 -0.6143 0.5723 1.1693 0.303 -0.8532 0.1179 1.1773 0.1954 -0.1808 1.0441 0.2239 -0.5393 0.1179 0.7233 -0.243 0.7678 1.3322 0.2818 0.1297 0.3913 -0.7974 0.2109 0.8193 -0.319 -0.2481 0.778 0.4695 -0.5419 0.277 -0.6986 0.7544 -0.6348 0.0406 -0.0404 -0.876 0.5001 -0.5031 0.1742 0.3803 -0.8606 -0.431 -0.0602 0.0507 -0.6127 1.3115 0.7581 1.0234 1.2724 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-6.3642e-02 5.5525e-01 -1.9852e-01 1.4547e-01 4.2286e-01 -2.5795e-01 5.7586e-01 -2.5210e-01 2.7847e-01 -2.5521e-01 2.3783e-02 4.5897e-02 4.8635e-01 1.5029e-01 -2.3881e-03 -2.1716e-01 5.6403e-01 -8.7555e-02 5.9216e-01 6.3413e-01 -3.6851e-01 8.0662e-01 -1.9015e-01 1.1227e-01 1.0840e-01 -1.1977e-01 -4.4178e-03 4.6454e-01 -7.9373e-02 1.1344e+00 -5.1893e-01 4.3210e-02 1.3188e-01 2.1694e-01 7.3127e-02 -1.4017e-01 -1.6844e-04 -3.2044e-01 -3.7036e-01]" [*]O[Si]([*])(C)C=C,,*O[Si](*)(C)C=C,144.15,GREA,144.15,,1,0.0,black,2,2.0,2,2,1,1.0,1.0,1.0,1.0,1.0,1,1,1,1,2.0,0,0,0,0,0,0,0.0,0.0,0,0.0,28.03130013,0,2,3.0,0.0,1.0,0,0,0,0,0,1,0,0,0,0.0,0,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.575471150366867,0,1,2,0,0,0,9.23,0.0,0,0.0,86.01879134,3,2,5.46875,6.547011353681087,2.6,0,0,0,0,5,1,0,0,0,0.5714285714285714,4,Polysiloxanes,Polysiloxanes/silanes,"[-0.5571 -0.5642 -0.5209 -0.2878 -0.2616 0.5373 1.1309 -0.6122 -0.1443 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[*]O[Si]([*])(C)CCC(F)(F)F,,*O[Si](*)(C)CCC(F)(F)F,204.15,GREA,204.15,,1,0.0,black,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,3.168489872670569,0,0,0,0,0,0,0.0,0.0,0,0.0,98.03433482,6,0,10.78472222222222,19.520857340060108,1.3333333333333333,3,3,0,0,5,0,0,0,0,0.5,3,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.702785122891503,0,1,3,0,0,0,9.23,0.0,0,0.0,156.021826,9,0,11.737162698412698,25.188227270967044,1.7777777777777777,3,3,0,0,10,0,0,0,0,0.6363636363636364,7,Polysiloxanes,Polysiloxanes/silanes,"[-5.7145e-01 7.1312e-02 3.2158e-01 -2.5417e-01 -7.6819e-02 -4.9541e-01 1.4349e+00 2.9891e-01 -1.0568e-01 1.0942e+00 2.3866e-01 -1.6428e+00 -3.8083e-01 8.8057e-01 -1.1780e-01 -8.5205e-02 1.8615e-01 3.0841e-01 -1.0276e+00 -1.0137e+00 4.7417e-01 -1.8826e-01 -4.3539e-01 -5.2206e-01 5.9394e-02 -4.0994e-01 7.9256e-01 -8.9881e-01 -5.6552e-01 2.6713e-01 -8.0755e-01 -5.1880e-01 1.1347e+00 8.2599e-02 -1.0132e+00 -1.8833e-01 7.1028e-01 -8.4727e-02 1.9024e-01 4.9984e-01 1.0631e-02 1.9850e-01 5.2238e-01 6.6682e-01 -2.1716e+00 7.9286e-01 -7.3714e-02 -8.4772e-01 8.0836e-01 7.7582e-01 -8.7147e-01 6.7078e-01 3.7111e-01 9.7488e-01 1.4249e+00 1.5173e+00 1.8122e-01 1.1586e+00 -1.4916e-01 2.9924e+00 -6.7663e-01 1.8412e+00 7.5230e-01 -5.6257e-01 -6.6480e-01 -5.5503e-01 5.3101e-01 -4.3269e-01 1.8084e+00 3.2499e-01 -1.0317e+00 -1.1111e+00 6.1161e-01 -6.8991e-01 -8.2200e-01 1.1134e+00 -7.5223e-01 -1.4731e+00 4.3793e-01 -2.1958e-01 2.1863e-01 1.0444e+00 -3.5468e-01 6.2527e-01 -1.3054e-01 4.2727e-01 3.6354e-01 1.2169e+00 -9.3577e-01 1.1856e-01 8.6677e-01 -1.5696e+00 -1.3939e+00 -8.4496e-01 1.6651e-01 -1.1134e+00 -2.7630e-01 -1.1868e+00 9.4356e-01 -8.1780e-01 -3.6668e-01 1.3267e+00 -5.7536e-01 -1.9807e-01 5.9961e-02 -8.6266e-01 -8.2858e-01 -2.6488e-01 -5.4825e-01 -4.2777e-01 -1.2104e-01 9.4262e-01 -1.4458e-02 -3.6079e-01 6.8007e-01 1.1247e+00 -3.5191e-01 7.5674e-01 1.1074e+00 8.5081e-01 -1.3839e+00 -6.6881e-01 -5.3085e-01 2.6778e-01 -6.1029e-01 -1.1762e+00 4.5099e-01 -6.9625e-01 -2.9150e-01 -2.5910e-01 -3.2960e-01 -1.2891e+00 -2.4162e-01 3.8112e-01 -1.0537e+00 -1.8537e-01 -6.0131e-01 -1.0506e-01 -1.2296e+00 3.5362e-01 -1.9137e+00 -1.2289e-01 -1.4646e+00 2.0665e-01 -8.3652e-01 -3.6102e-01 -2.9349e-01 -1.7190e-01 -1.7331e-01 -4.6667e-01 -4.6255e-01 -3.8299e-01 -5.9463e-01 -8.8771e-01 6.1222e-01 2.8874e-01 1.3109e+00 1.8129e+00 2.6831e-01 8.0068e-01 -3.5063e-01 -2.4333e-01 5.9440e-01 1.1721e+00 -1.0444e+00 6.6996e-01 3.8155e-01 -6.5577e-01 1.8148e+00 1.5631e+00 1.3796e+00 2.3809e-02 4.5923e-01 1.5205e+00 -2.4263e-01 -7.0996e-01 1.5026e+00 6.9180e-01 -2.0896e+00 1.1492e-01 1.0525e+00 -1.3199e+00 8.2525e-01 -6.5512e-01 -1.0976e-01 -1.6189e+00 7.0675e-01 1.2696e+00 -5.6077e-01 -7.8280e-02 1.2137e+00 -9.5939e-01 5.5580e-01 -4.3703e-01 -4.8252e-01 1.3973e+00 -8.5232e-02 -4.7128e-02 -2.6591e-01 -5.6098e-02 5.9543e-01 -1.5245e+00 -1.2712e+00 1.1611e+00 7.2615e-01 -5.6107e-01 -2.2703e-02 -2.4889e-01 3.2547e-02 1.3931e+00 9.2037e-01 -6.4907e-01 5.5549e-01 7.9162e-01 4.5145e-02 1.4987e+00 1.3682e+00 -6.2826e-01 -1.9953e-02 1.4160e+00 -5.7724e-01 1.4684e-01 8.2578e-01 1.2236e+00 2.9107e-03 5.3895e-01 3.4524e-01 -4.1591e-01 8.8489e-01 3.9074e-01 1.0421e+00 1.4283e-01 6.3322e-01 5.4711e-01 -7.8859e-01 1.0396e+00 1.8006e+00 -7.4610e-01 5.6375e-01 4.4793e-01 4.6067e-02 2.0065e-01 -4.1802e-01 9.4956e-01 2.4408e-01 4.5203e-01 4.7717e-01 -2.6001e-04 -2.3202e-01 1.1877e+00 -1.3278e-01 6.0906e-02 1.0843e+00 1.4897e-01 -4.1769e-01 -2.1485e+00]",{},"[ 2.9279e-01 7.5801e-02 1.6392e-01 2.0766e-01 3.0201e-01 -2.3888e-01 5.2655e-01 3.2540e-01 -1.1421e-01 5.8229e-01 -5.2677e-01 -1.1488e-01 2.4910e-01 8.7562e-01 -7.4181e-02 2.2451e-01 -5.1158e-01 9.5293e-02 -7.9478e-01 5.3311e-01 -5.4575e-02 6.3276e-01 -1.7202e-01 2.2701e-01 -7.3660e-02 2.1670e-01 4.3287e-01 -2.8694e-01 2.1375e-01 3.6827e-01 -1.1503e-01 -3.7554e-01 -1.6150e-02 -2.5403e-01 -2.2347e-01 3.4526e-01 1.9978e-01 5.5459e-01 9.9066e-01 3.9727e-01 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5.6337e-02 -2.6353e-01 3.5692e-02 7.3694e-01 -4.9131e-01 -4.0533e-01 9.7115e-01 -5.1230e-01 -6.6207e-01 7.6230e-02 8.0665e-03 1.1080e-01 1.0663e-01 4.7665e-02 -2.7664e-01 4.9105e-01 5.1564e-01 -2.0338e-01 8.5081e-03 2.7648e-02 4.5041e-01 -8.0640e-02 -1.6988e-02 1.8108e-01 1.3343e-01 1.2076e-01 -5.1775e-01 -3.4545e-01 4.6068e-01 5.3864e-02 4.4025e-01 -8.2325e-02 -1.0117e-01 9.7357e-01 -1.7335e-02 1.6941e-01 1.0427e+00 -1.4496e-01 -5.8186e-03 3.1380e-01 7.0798e-01 1.5168e-01 -6.7114e-01]" [*]O[Si]([*])(C)CCCC,,*O[Si](*)(C)CCCC,158.15,GREA,158.15,,1,0.0,black,4,4.0,4,4,1,2.0,2.0,2.0,2.0,1.0,1,1,1,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,58.07825032,4,0,2.180555555555556,26.689117645233267,1.0,0,0,0,0,3,0,0,0,0,0.0,0,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.330074215693167,0,1,4,0,0,0,9.23,0.0,0,0.0,116.0657415,7,0,5.7397222222222215,32.35648758,2.0,0,0,0,0,8,0,0,0,0,0.4444444444444444,4,Polysiloxanes,Polysiloxanes/silanes,"[ 0.2127 0.635 0.5125 0.056 -0.0079 -0.2564 1.5546 -0.634 0.0072 0.9905 0.6757 -1.636 -0.0685 -0.11 -0.6602 1.2096 0.1229 1.0931 -0.3328 -0.3219 1.4671 -0.0061 -0.6656 -1.1174 -0.9308 0.442 1.2449 -0.3691 0.2492 1.3049 -1.5327 0.0091 0.776 -0.4167 -1.8338 0.2853 0.3201 0.2191 0.0614 0.5997 0.4917 -0.343 0.1658 0.4168 -1.4858 1.7419 -1.7695 -0.0405 0.2299 0.0351 -2.2191 1.4157 0.5847 1.9862 2.2417 -0.1971 -0.6352 -0.0783 -0.6877 2.5396 -0.3371 0.6337 -0.6057 -0.4149 0.4254 -0.1938 0.7033 0.6799 0.8826 -0.736 -1.1573 0.0338 1.8274 0.2213 -0.1413 1.2645 -0.3098 -0.2014 -0.6532 -0.6311 0.4752 1.7639 0.4887 0.067 -0.7808 -0.7942 0.0176 0.579 -0.3984 0.2727 0.5736 -0.6208 -1.7725 0.2566 -0.0222 -0.6717 -0.3064 -0.3935 0.4695 -0.1232 0.0735 1.0394 0.1819 -1.4056 1.1982 -0.4722 -0.7355 -0.1029 -1.0497 0.0101 -0.1783 0.8384 -0.4005 0.1058 1.756 1.3223 -0.8502 0.5179 -0.2358 0.3921 -0.9948 -0.0811 -0.8302 0.0895 0.2011 -1.076 0.3298 0.1022 0.0916 -1.3816 0.452 -1.8006 -0.006 -0.1493 -0.963 0.8028 -1.3371 -0.6311 -0.1036 0.9739 -0.6566 -0.5427 -0.4599 0.5348 0.0042 -0.4721 0.5912 -0.8724 0.6608 -1.651 -0.1742 -0.6543 -0.8913 -0.5663 0.0868 0.0316 0.9357 1.6759 1.4918 0.3096 -0.3062 0.4353 -0.4149 0.6584 -0.871 0.1928 0.6963 -0.8635 -0.5014 1.5127 2.2319 -0.5806 0.1501 0.4492 0.6174 0.6228 0.4036 -0.1249 -0.4349 -0.1593 1.4932 -1.6439 2.2031 -0.3627 -0.2931 0.327 -0.4201 1.685 -0.2801 -0.1534 0.3743 0.1347 1.1983 -0.8975 -0.1492 -0.1108 1.3594 -0.07 -0.8663 0.6704 1.0851 -1.6011 -1.3188 -0.3145 0.1218 -0.8214 0.66 0.1821 -0.1131 0.781 0.7694 -0.9779 0.342 -0.0442 -0.747 1.1882 1.9207 -0.3995 0.2909 1.3995 -1.0515 0.3624 0.2042 1.5784 -0.3212 0.2457 -0.0236 -1.1923 0.2952 0.3791 2.4293 -1.0855 -0.1041 -0.4372 -0.6102 0.9971 1.2709 -0.9608 0.635 -0.3257 -0.3719 -0.2077 0.4542 -1.1559 -0.0545 2.1703 -0.7673 -0.324 -0.1333 0.961 -0.1325 -1.3786 0.0106 0.0706 -0.3093 -1.2449]",{},"[ 0.1615 0.208 0.1305 0.0621 0.1149 0.07 1.2799 -0.4283 -0.4241 -0.1067 -0.2493 -0.3305 -0.1674 0.5456 -0.3767 1.0318 -0.8309 0.5868 -0.0123 0.548 0.5302 0.5566 -0.534 -0.4309 -0.8885 0.3593 0.1879 0.4672 0.1957 0.9839 -0.1986 -0.546 -0.3452 -0.2372 -0.5509 -0.0736 0.2389 0.5816 0.9853 0.0993 0.2505 0.3242 -0.3847 -0.21 -0.1619 0.0326 0.3091 -0.2548 0.4817 0.2409 -1.1027 0.6517 0.5051 1.1459 0.7936 -0.3842 -0.3673 -0.0714 0.5851 1.0131 -0.0601 0.1217 -0.091 -0.3492 0.3217 -0.4106 -0.3377 0.1042 0.5603 -0.4422 -0.4592 -0.4434 0.6922 0.1923 0.2216 0.2762 0.1882 -0.18 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-0.8456 0.1441 0.8131 -0.6519 -0.2833 0.6456 -0.7614 -0.3931 0.2237 0.246 -0.3431 0.218 -0.2252 0.089 0.1561 0.1452 0.506 -0.6021 -0.6944 0.3481 -0.417 -0.0905 -0.3562 -0.2837 -0.7687 -0.5806 0.3323 -0.4531 -0.0527 -0.6571 0.0234 0.3106 0.0778 0.005 -0.0148 0.7346 -0.2833 -1.0668 0.0954 0.6006 0.0634 -0.9137]" [*]O[Si]([*])(C)CCCC(=O)O,,*O[Si](*)(C)CCCC(=O)O,244.15,GREA,244.15,,1,0.0,black,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,2.831257109931365,1,1,2,0,0,0,37.3,0.0,0,0.0,88.0524295,3,3,9.599305555555556,19.765380445542643,1.8333333333333333,0,0,0,0,4,1,0,0,0,0.3333333333333333,2,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.4519855819553404,1,2,5,0,0,0,46.53,0.0,0,0.0,146.0399207,6,3,10.184128243890148,25.43275037644958,2.111111111111111,0,0,0,0,9,1,0,0,0,0.5454545454545454,6,Polysiloxanes,Polysiloxanes/silanes,"[ 2.8042e-01 4.2031e-01 1.9733e-01 -9.4583e-01 -8.6868e-01 -1.1011e+00 1.8729e-01 -3.0104e-01 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3.8884e-01 3.8546e-01 -6.3224e-01 6.3550e-01 -3.0672e-01 3.4137e-01 6.7013e-01 -3.4601e-01 -7.4147e-01 2.8007e-01 -1.4307e-02 6.5469e-02 -2.2230e-01 1.4607e-01 5.2054e-02 2.5062e-01 -2.7650e-01 -8.0511e-02 -1.7194e-01 1.5856e-02 -2.9755e-01 -8.2941e-02 -2.4003e-01 1.8285e-01 -4.1104e-01 -2.5253e-01 -3.1312e-01 1.7781e-02 -8.4984e-02 5.2888e-02 -2.0124e-01 -3.7128e-01 4.0520e-03 3.4412e-01 -2.1063e-01 -2.0562e-01 7.9855e-01 2.1640e-01 6.1403e-01 1.0445e-01 1.0773e+00 6.7910e-03 -3.2185e-01]" [*]O[Si]([*])(C)CCCCCC,,*O[Si](*)(C)CCCCCC,162.3,GREA,162.3,,1,0.0,black,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,2.3390923149762908,0,0,3,0,0,0,0.0,0.0,0,0.0,86.10955045,6,0,2.231805555555556,39.53076089108528,0.8333333333333334,0,0,0,0,5,0,0,0,0,0.0,0,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.228802352525457,0,1,6,0,0,0,9.23,0.0,0,0.0,144.0970417,9,0,5.817864937641723,45.19813082199222,1.5555555555555556,0,0,0,0,10,0,0,0,0,0.3636363636363636,4,Polysiloxanes,Polysiloxanes/silanes,"[ 0.1519 0.338 -0.0136 0.3744 -0.4319 -0.1236 0.9075 -0.5672 -0.0035 1.1827 0.951 -2.0414 -0.5608 0.1823 -0.7513 1.0607 0.326 1.1788 -0.5259 -0.5947 1.6194 0.2302 -0.5473 -0.677 -0.6827 0.4027 1.6894 -1.0047 0.218 0.9835 -1.255 -0.1699 0.9491 -0.1826 -1.0892 0.0626 0.6359 0.4489 0.2875 0.5257 0.2813 -0.4084 -0.0683 0.5102 -1.1402 1.0477 -0.8966 -0.1544 0.1663 0.4734 -2.2082 1.3897 1.0582 1.1781 1.462 0.3261 -0.3329 -0.9744 -0.3733 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-0.1571 0.283 -0.4029 0.6171 -0.2435 -0.6791 0.3074 1.1654 -0.751 -0.216 0.5452 -0.9276 -0.024 -0.0165 0.1826 -0.4801 0.5363 -0.0968 -0.3126 0.3977 -0.0214 1.2456 -0.5952 -0.7741 0.4388 -0.848 -0.3347 -0.6178 -0.0708 -0.3774 -0.7324 0.5287 -0.5067 -0.1487 -0.5792 0.0774 0.4674 0.0265 -0.1496 0.4858 1.0312 0.1407 -0.6061 0.397 0.3338 -0.1702 -0.5727]" [*]O[Si]([*])(C)CCCCCCCC,,*O[Si](*)(C)CCCCCCCC,181.15,GREA,181.15,,1,0.0,black,8,8.0,8,8,1,4.0,4.0,4.0,4.0,1.0,1,1,1,1,2.530060457,0,0,5,0,0,0,0.0,0.0,0,0.0,114.1408506,8,0,2.2558985260770976,52.372404136937305,0.625,0,0,0,0,7,0,0,0,0,0.0,0,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.157249455965905,0,1,8,0,0,0,9.23,0.0,0,0.0,172.12834178999998,11,0,5.865368795666415,58.03977406784425,1.2727272727272727,0,0,0,0,12,0,0,0,0,0.3076923076923077,4,Polysiloxanes,Polysiloxanes/silanes,"[ 0.5434 0.1391 0.1467 -0.2107 -0.7857 -0.2406 1.0092 -0.6516 0.0742 1.15 1.2048 -2.3121 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0.4355 -0.4225 0.4882 -0.688 -0.5725 0.3013 -0.5009 -0.1218 0.1077 1.0046 -0.028 -0.4322 0.5462 0.1829 0.3251 0.3217 0.3966 -0.3076 0.6856 0.2178 -0.7844 0.8542 0.1023 -0.4544 0.2547 0.1026 0.3432 -0.1624 0.1892 0.527 0.5448 0.3208 -0.0888 0.4399 -0.0288 0.4621 -0.3929 0.5979 -0.3965 0.4639 -0.5585 -0.2412 0.134 0.068 0.0372 0.1057 -0.1922 -0.2397 -0.1102 -0.0197 0.243 0.4266 -0.355 -0.6146 0.1967 0.6165 -0.4768 -0.0981 0.3335 -0.7195 0.0064 -0.3711 0.0822 0.2247 0.0279 -0.1629 -0.435 0.3161 -0.1181 0.8999 -0.7939 0.1086 0.5535 -0.3406 0.059 -0.4321 -0.313 -0.0715 -0.2203 0.416 -0.426 0.1576 -0.4099 -0.1961 0.3296 0.3195 -0.3673 0.1898 1.152 0.0046 -0.1008 0.0487 0.2549 0.1138 -0.1007]" [*]O[Si]([*])(C)CCCCCCCCCCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,*O[Si](*)(C)CCCCCCCCCCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,195.15,GREA,195.15,,1,0.0,black,40,40.0,40,40,1,20.0,20.0,20.0,20.0,1.0,1,1,1,1,5.477399799158775,0,2,18,0,0,0,26.3,0.0,0,0.0,632.1583097800001,37,3,13.750510061402242,118.7659561230562,0.5,17,17,0,0,38,1,0,0,0,0.475,19,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,5.069275723866969,0,3,21,0,0,0,35.53,0.0,0,0.0,690.145801,40,3,13.851144852745264,124.43332605396314,0.6046511627906976,17,17,0,0,43,1,0,0,0,0.5111111111111111,23,Polysiloxanes,Polysiloxanes/silanes,"[-0.3095 -0.0646 1.1647 0.5017 0.1387 0.0679 -0.2969 -0.4279 -0.9648 -0.41 -0.5234 -1.3621 -0.805 0.1167 -1.4335 -1.0526 -1.63 -0.1137 -0.7091 -0.0496 -0.5038 -0.832 -1.3846 0.6997 0.629 -0.6355 -0.0322 0.2965 -0.0316 -0.7082 0.2368 -0.6365 1.1407 0.7119 0.4626 0.0854 0.6922 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1.2042e+00 5.7222e-01 -1.0065e-01 -1.1571e-01 -6.4782e-01 1.6534e-01 -6.3123e-01 9.7153e-02 -8.8073e-04 -8.5141e-01 2.9013e-01 -5.0791e-01 -5.7262e-02 -2.8940e-01 2.0814e-01 -9.7661e-02 3.9946e-01 -2.8998e-01 7.0170e-02 2.3425e-01 5.6365e-01 3.5677e-01 -1.2910e-01 -6.1196e-01 5.3753e-02 5.0551e-02 -1.6919e-01 -2.1085e-01 4.5393e-02 -2.9764e-01 -1.9060e-01 3.2066e-01 -4.8806e-02 -2.2748e-01 -1.1221e-01 -7.7279e-03 -1.1955e-01 4.0314e-01 6.4638e-01 3.4807e-01 -2.8101e-01 1.9291e-01 -2.5565e-01 -2.7408e-02 -3.1403e-01]" [*]O[Si]([*])(C)CCCCCCOC(=O)c1cc(OC(=O)c2ccc(OCCOCCOCCOCCOCCOCCOC)cc2)ccc1OC(=O)c1ccc(OCCOCCOCCOCCOCCOCCOC)cc1,,*O[Si](*)(C)CCCCCCOC(=O)c1cc(OC(=O)c2ccc(OCCOCCOCCOCCOCCOCCOC)cc2)ccc1OC(=O)c1ccc(OCCOCCOCCOCCOCCOCCOC)cc1,223.15,GREA,223.15,,1,0.0,black,73,73.0,73,73,1,36.5,36.5,36.5,36.5,1.0,1,1,1,1,1.3401051758806204,0,20,48,3,0,3,208.11999999999995,0.0,0,18.94745182,1034.508645,44,29,13.33197829635095,32.60702369139466,0.3424657534246575,0,0,0,0,54,3,0,0,6,0.273972603,20,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.3938111008028098,0,21,51,3,0,3,217.35,0.0,0,18.94745182,1092.4961361100002,47,29,13.562708068823149,38.27439362,0.4078947368421052,0,0,0,0,59,3,0,0,6,0.3076923076923077,24,Polysiloxanes,Polysiloxanes/silanes,"[-0.6965 0.6693 -0.288 0.6517 -1.062 0.2049 -0.6683 -0.0963 -0.6175 -0.2081 -0.9342 -2.4271 1.1975 0.0751 -0.6243 0.666 -0.155 0.789 -0.1724 -0.4799 0.6676 -0.4701 -0.8013 1.405 -0.7732 1.5349 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0.034 -0.1168 0.1503 0.0394 0.0692 -0.0901 0.4598 0.2744 0.2858 0.0878 0.094 -0.3452 0.6567 -0.655 0.0337 -0.7155 0.035 0.2635 -0.0457 -0.6951 -0.6607 -0.2415 0.3963 0.5761 -0.0017 1.3481 0.9709 -0.2555 -0.3627 0.6025 -0.3976 -0.0209 0.2879 0.2514 1.0546 0.4696 0.1976 0.1616 0.1055 0.5731 -0.4689 -0.5378 0.1744 0.2503 0.2272 -0.0502 0.0787 -0.8119 -0.0521 0.0292 0.5119 0.501 -0.0073 -0.3966 -0.438 -0.1591 -0.4826 0.1357 0.2913 -0.5413 -0.378 -0.2458 -0.0654 0.1537 -0.0295 0.488 0.5156 -0.1105 -0.0138 -0.5197 0.2123 -0.3465 0.2752 0.4136 0.4738 -0.0553 -0.592 -0.2944 -0.1307 -0.1845 0.6649 -0.6456 0.0251 0.3512 0.6718 -0.2098 -0.1681 0.5743 0.246 0.0803 -0.6774 0.4987 0.8696 -0.9314 -0.201 0.237 0.1158 -0.339 -0.021 0.6825 0.0119 0.2161 -0.6827 0.4856 -0.9454 -0.4408 -0.3844 -0.996 0.3709 0.4585 0.3669 0.0119 -0.0496 0.2181 -0.4484 0.5379 0.0594 0.5809 -0.2689 -0.2181 -0.2705 -0.4961 0.5811 0.5583 -0.0724 0.4753 0.1748 -0.2356 0.0928 -0.0147 0.2213 0.8364 0.3174 -0.1939 0.4952 0.1288 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[*]O[Si]([*])(C)CCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,*O[Si](*)(C)CCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,283.15,GREA,283.15,,1,0.0,black,21,21.0,21,21,1,10.5,10.5,10.5,10.5,1.0,1,1,1,1,1.9031405378218675,0,2,7,2,0,2,33.02,0.0,0,4.736862953800049,279.1623143,6,13,8.805302506516611,32.60702369139466,0.8571428571428571,0,0,0,0,9,0,1,0,6,0.095238095,2,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.6832863191014058,0,3,10,2,0,2,42.25,0.0,0,4.736862953800049,337.1498055,9,13,8.867763737469275,38.27439362,1.0,0,0,0,0,14,0,1,0,6,0.2307692307692307,6,Polysiloxanes,Polysiloxanes/silanes,"[ 0.0221 0.7611 -0.4289 0.0844 0.0779 0.341 -0.4035 0.0504 -0.4863 1.0542 0.8148 -0.924 0.1341 0.1429 -0.1687 -0.3605 0.3442 0.7694 -0.3607 -0.9916 1.356 -0.6618 0.1891 -0.3494 -1.1364 1.037 1.198 -1.3195 -0.9329 0.7043 -0.965 -0.6923 1.1742 0.8329 -0.7834 -0.5458 0.2267 1.0679 0.0758 0.2412 -0.3621 0.2652 0.7021 0.7101 -0.8309 1.6033 -0.1622 -0.9149 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[*]O[Si]([*])(C)CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OCC(C)CC)cc2)cc1,,*O[Si](*)(C)CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OCC(C)CC)cc2)cc1,264.15,GREA,264.15,,1,0.0,black,30,30.0,30,30,1,15.0,15.0,15.0,15.0,1.0,1,1,1,1,1.827922603740329,0,5,12,2,0,2,61.83,0.0,0,9.473725907600098,412.2249741,11,19,12.332297337483716,52.87531971370191,0.8,0,0,0,0,17,2,0,0,6,0.1666666666666666,5,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.7170304182883829,0,6,15,2,0,2,71.06,0.0,0,9.473725907600098,470.2124653,14,19,12.455309063623876,58.542689644608856,0.9393939393939394,0,0,0,0,22,2,0,0,6,0.2571428571428571,9,Polysiloxanes,Polysiloxanes/silanes,"[ 9.0105e-04 2.1595e-01 1.1275e-01 -5.6599e-01 -1.0019e+00 3.9613e-01 -9.0089e-01 2.5321e-01 -1.5441e-01 8.4297e-02 4.8194e-02 -2.7804e-01 2.9782e-01 -3.6253e-01 4.5369e-02 -6.2817e-01 3.9054e-01 2.1297e-01 -6.9951e-02 -3.2944e-01 5.9844e-01 -2.7226e-01 -5.1828e-01 4.0426e-01 -4.2665e-01 8.5388e-01 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[*]O[Si]([*])(C)CCCOC(=O)c1cc(OC(=O)c2ccc(OCCOCCOCCOCCOC)cc2)ccc1OC(=O)c1ccc(OCCOCCOCCOCCOC)cc1,,*O[Si](*)(C)CCCOC(=O)c1cc(OC(=O)c2ccc(OCCOCCOCCOCCOC)cc2)ccc1OC(=O)c1ccc(OCCOCCOCCOCCOC)cc1,236.15,GREA,236.15,,1,0.0,black,58,58.0,58,58,1,29.0,29.0,29.0,29.0,1.0,1,1,1,1,1.4231145034463937,0,16,33,3,0,3,171.19999999999996,0.0,0,18.94745182,816.3568357,29,29,13.068877591916555,13.344558822616634,0.4137931034482758,0,0,0,0,39,3,0,0,6,0.2758620689655172,16,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.500956089671577,0,17,36,3,0,3,180.43,0.0,0,18.94745182,874.3443269260001,32,29,13.42588202452518,19.01192875352357,0.5081967213114754,0,0,0,0,44,3,0,0,6,0.3174603174603174,20,Polysiloxanes,Polysiloxanes/silanes,"[-0.6706 0.7722 -0.3279 0.4323 -0.7787 0.1447 -0.8612 0.1681 -0.7497 0.2111 -0.8615 -2.4849 1.2231 -0.263 -0.2778 0.2941 0.4235 0.8182 -0.3009 0.0787 0.555 -0.4175 -0.4967 1.5917 -0.6425 1.7544 0.1275 0.6656 -1.406 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[*]O[Si]([*])(C)CCCOCC1COC(=O)O1,,*O[Si](*)(C)CCCOCC1COC(=O)O1,247.25,GREA,247.25,,1,0.0,black,11,11.0,11,11,1,5.5,5.5,5.5,5.5,1.0,1,1,1,1,2.0359306195731133,0,4,4,1,1,0,44.760000000000005,0.0,1,0.0,160.0735589,7,4,10.386160793020911,19.44852521036493,1.7272727272727273,0,0,0,0,10,1,0,0,5,0.3636363636363636,4,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.978796728125095,0,5,7,1,1,0,53.99000000000001,0.0,1,0.0,218.0610501,10,4,10.616890565493108,25.11589514127187,1.8571428571428568,0,0,0,0,15,1,0,0,5,0.5,8,Polysiloxanes,Polysiloxanes/silanes,"[ 0.2555 -0.0705 0.0033 0.3573 -0.8881 -1.3078 -0.3163 0.1978 0.3725 0.8458 -0.4058 -1.1406 -0.1571 0.6841 0.0386 0.1773 0.0463 0.6006 -0.7311 -0.7558 0.681 -0.3468 -0.1386 0.5094 -0.536 0.4693 0.2341 -0.1137 -0.0623 -0.2593 0.1039 0.3625 0.3562 0.4726 -0.4573 -0.3649 0.57 0.1617 0.3961 0.8335 0.1005 -0.0874 -0.4474 -0.2655 -0.83 0.9893 1.041 -0.2251 0.3106 0.41 -0.5593 0.5484 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[*]O[Si]([*])(C)CCCOCCOCCOC,,*O[Si](*)(C)CCCOCCOCCOC,183.05,GREA,183.05,,1,0.0,black,11,11.0,11,11,1,5.5,5.5,5.5,5.5,1.0,1,1,1,1,2.6909155266923976,0,3,8,0,0,0,27.69,0.0,0,0.0,162.1255944,11,0,5.1971875,13.344558822616634,0.8181818181818182,0,0,0,0,10,0,0,0,0,0.2727272727272727,3,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.097655645313381,0,4,11,0,0,0,36.92,0.0,0,0.0,220.1130857,14,0,5.815526547350973,19.01192875352357,1.1428571428571428,0,0,0,0,15,0,0,0,0,0.4375,7,Polysiloxanes,Polysiloxanes/silanes,"[-0.1073 0.3788 -0.015 0.768 -1.1583 -0.3372 0.2804 0.1511 -0.7188 1.3993 0.0557 -3.5661 -0.0794 0.4061 -0.7749 0.3089 0.3085 1.5161 -0.8336 -1.3991 1.4808 -0.7431 -0.6167 0.105 -0.4347 0.6442 1.579 -0.1009 -0.4009 -0.6797 -0.9074 -0.2236 1.4514 0.1924 -0.5713 0.2241 0.7707 -0.1449 0.4222 1.025 0.3201 -0.3485 -0.5982 0.311 -1.6992 0.4965 -0.7338 -0.5294 0.6239 0.7954 -1.2699 1.2788 1.0809 0.3652 0.8803 -0.1271 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[*]O[Si]([*])(C)CCCOCCOCCOCCOC,,*O[Si](*)(C)CCCOCCOCCOCCOC,208.945,GREA,208.945,,1,0.0,black,14,14.0,14,14,1,7.0,7.0,7.0,7.0,1.0,1,1,1,1,2.7847655305545773,0,4,11,0,0,0,36.92,0.0,0,0.0,206.1518092,14,0,5.269605300453515,13.344558822616634,0.6428571428571429,0,0,0,0,13,0,0,0,0,0.2857142857142857,4,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.069564045086431,0,5,14,0,0,0,46.150000000000006,0.0,0,0.0,264.13930039800005,17,0,5.834548583865283,19.01192875352357,0.9411764705882352,0,0,0,0,18,0,0,0,0,0.4210526315789473,8,Polysiloxanes,Polysiloxanes/silanes,"[-0.3361 0.1959 0.0273 0.796 -1.2355 -0.0538 0.354 -0.0273 -0.7259 1.252 -0.1553 -3.6646 -0.0052 0.5574 -0.5676 0.5296 0.1661 1.6244 -0.7397 -1.5141 1.5307 -0.5399 -0.7325 0.0882 -0.5238 0.5945 1.3931 0.1479 -0.701 -0.8895 -0.9346 -0.2892 1.6567 0.3406 -0.4714 0.2692 0.4411 -0.3623 0.3921 0.9317 0.3873 -0.5173 -0.4239 0.3967 -1.7244 0.4153 -0.6755 -0.4221 0.4609 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[*]O[Si]([*])(C)CCCOCCOCCOc1ccc(COc2ccc3cc(C#N)ccc3c2)cc1,,*O[Si](*)(C)CCCOCCOCCOc1ccc(COc2ccc3cc(C#N)ccc3c2)cc1,303.15,GREA,303.15,,1,0.0,black,30,30.0,30,30,1,15.0,15.0,15.0,15.0,1.0,1,1,1,1,1.4009779105174087,0,5,12,3,0,3,60.71,0.3333333333333333,0,9.473725907600098,405.19400834400005,10,18,8.995057591972884,19.951440787129552,0.7,0,0,0,0,14,0,1,1,6,0.1666666666666666,5,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.278285587571153,0,6,15,3,0,3,69.94,0.3333333333333333,0,9.473725907600098,463.1814996,13,18,9.028285081,25.61881071803649,0.8484848484848485,0,0,0,0,19,0,1,1,6,0.2571428571428571,9,Polysiloxanes,Polysiloxanes/silanes,"[-4.3582e-01 5.4331e-02 -4.4928e-01 -6.7423e-02 -6.6201e-01 6.9062e-01 -6.5762e-01 6.0231e-01 -4.5992e-01 4.2401e-01 1.7839e-01 -2.3261e+00 -1.7108e-01 1.2384e-01 -2.4373e-02 -3.9520e-01 3.8788e-03 5.5986e-01 -5.4364e-01 -1.2403e+00 5.9954e-01 -5.1845e-01 -8.0246e-01 -1.4953e-01 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[*]O[Si]([*])(C)CCCOc1ccc(-c2ccc(C#N)cc2)cc1,,*O[Si](*)(C)CCCOc1ccc(-c2ccc(C#N)cc2)cc1,311.15,GREA,311.15,,1,0.0,black,18,18.0,18,18,1,9.0,9.0,9.0,9.0,1.0,1,1,1,1,2.152740508,0,2,4,2,0,2,33.02,0.0,0,4.736862953800049,237.1153641,3,13,8.751332530658622,13.344558822616634,0.9444444444444444,0,0,0,0,6,0,1,0,6,0.1111111111111111,2,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.8798341981309032,0,3,7,2,0,2,42.25,0.0,0,4.736862953800049,295.10285531400007,6,13,8.839686711,19.01192875352357,1.1428571428571428,0,0,0,0,11,0,1,0,6,0.2608695652173913,6,Polysiloxanes,Polysiloxanes/silanes,"[-2.9956e-01 8.8289e-01 -5.1620e-01 -2.5090e-01 3.5084e-01 4.7624e-01 -2.1210e-01 -9.8463e-03 -1.2334e-01 1.2448e+00 6.8089e-01 -5.4433e-01 7.6085e-02 2.4167e-01 3.4286e-01 -4.4700e-01 6.5102e-01 5.3586e-01 6.0602e-02 -8.7227e-01 1.3550e+00 -1.1082e+00 2.5630e-01 -3.3601e-01 -1.2976e+00 7.7114e-01 1.3048e+00 -1.0531e+00 -1.1756e+00 7.3636e-01 -9.4160e-01 -8.6247e-01 1.4062e+00 7.5023e-01 -9.4293e-01 -6.5223e-01 2.1240e-01 9.1021e-01 -1.6537e-01 1.2710e-03 -6.9275e-01 3.0249e-01 1.1265e+00 6.7074e-01 -6.8653e-01 1.7951e+00 6.6878e-02 -9.8030e-01 3.5019e-01 2.2024e-01 -6.5797e-01 -4.1467e-01 -2.3978e-01 -3.2259e-01 1.8246e+00 6.1556e-01 5.2538e-01 -5.9974e-01 -1.1853e+00 2.3225e+00 -9.7214e-01 1.8671e+00 -7.1429e-01 1.6525e-01 -6.5188e-01 4.0618e-01 -1.6027e-01 -2.3668e-02 5.8878e-01 4.7581e-01 -1.5764e+00 -1.6798e+00 5.8636e-01 2.3041e-01 -6.5425e-01 1.1899e+00 -1.1045e-01 -9.3186e-01 6.7783e-01 2.5198e-01 -7.7962e-01 7.1879e-02 8.4715e-01 -1.6470e-01 4.4053e-01 1.1505e+00 4.7851e-01 2.9066e-01 -1.9439e-01 -4.4032e-02 7.2841e-01 -8.1134e-02 -1.7901e+00 -5.7624e-01 -6.3189e-01 6.0760e-01 -1.1491e+00 -4.8044e-01 -2.3768e-01 -3.8807e-01 -9.2551e-02 1.2504e+00 4.3412e-01 -8.6218e-01 8.9366e-01 -1.3404e+00 -1.3253e+00 7.1151e-01 -9.8880e-02 9.6377e-02 3.8899e-01 -8.1614e-01 -7.1400e-01 7.4005e-01 7.7165e-01 1.1625e+00 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1.2511e-01 1.0494e-01 -1.5639e-01 -1.8189e-01 2.2188e-01 7.9937e-01 2.4704e-01 3.6289e-01 -5.9707e-01 -7.5125e-01 5.0997e-01 -9.4831e-01 -4.6785e-01 5.9171e-01 -6.6055e-01 -1.3746e-01 3.5549e-02 -3.2053e-01 -3.1448e-01 8.6968e-02 -2.7146e-01 -4.9217e-02 -3.3636e-02 7.9863e-02 -9.9233e-02 1.0022e-01 3.2306e-01 3.7091e-01 3.2456e-01 1.8203e-01 3.0483e-01 1.3803e-01 4.1579e-01 3.5407e-01 -2.4579e-01 -1.6655e-01 -3.9820e-02 8.8994e-01 -1.3809e-01 1.1550e-01 3.5421e-01 -1.2387e-01 6.5205e-01 4.1405e-01 3.6218e-01 -3.0450e-01 8.3775e-01 -1.3657e-01 1.0171e-01 -7.1829e-01]" [*]O[Si]([*])(C)CCCOc1ccc(-c2ccc(OC(=O)CCCCC(=O)OC3CC(C)CCC3C(C)C)cc2)cc1,,*O[Si](*)(C)CCCOc1ccc(-c2ccc(OC(=O)CCCCC(=O)OC3CC(C)CCC3C(C)C)cc2)cc1,316.45,GREA,316.45,,1,0.0,black,36,36.0,36,36,1,18.0,18.0,18.0,18.0,1.0,1,1,1,1,1.3683671325125542,0,5,12,3,1,2,61.83,0.0,0,9.473725907600098,494.3032244,17,19,12.390388571620832,85.16548816991887,0.8611111111111112,0,0,0,0,24,2,0,0,6,0.1388888888888889,5,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.350267627234284,0,6,15,3,1,2,71.06,0.0,0,9.473725907600098,552.2907157,20,19,12.447237716233596,90.83285810082582,0.9487179487179488,0,0,0,0,29,2,0,0,6,0.2195121951219512,9,Polysiloxanes,Polysiloxanes/silanes,"[ 0.2495 0.7419 0.5196 0.7641 -0.5366 0.5063 -0.7957 0.1312 0.245 0.3021 0.5027 -0.5733 0.1231 -0.3035 -0.207 -0.4789 0.4675 -0.2429 0.4584 -0.393 0.2989 -1.1137 0.4746 0.9103 -0.8011 1.1455 0.255 0.1455 -0.6845 0.3514 -0.4465 -0.1897 0.127 0.2703 -0.9647 -0.1656 -0.5149 0.243 0.2698 -0.4332 -0.1608 0.4718 0.7192 -0.1469 0.077 1.3121 -0.1311 -0.8277 -0.1612 0.5018 -0.435 -0.707 0.4705 -0.6584 1.7133 -0.1757 0.6526 -0.887 -0.4892 1.3324 -0.8003 -0.0396 0.3958 -0.2841 -0.3596 0.6367 1.0026 -0.0563 0.1364 0.6888 -0.752 -0.6165 0.4318 -0.3269 -0.4057 0.4119 0.0082 -0.5403 -0.2069 0.485 0.3959 -0.1001 -0.3363 -0.2219 1.0628 0.7804 0.5399 0.1659 -0.0761 0.9122 -0.0699 0.5188 -1.145 -0.4072 -0.9321 0.2226 -0.222 -0.4945 -0.0613 -0.2829 0.0053 0.9731 -0.0321 -0.0542 0.6693 -0.6608 -0.6165 0.5258 -1.0932 0.4954 -0.5048 -0.451 -0.7312 0.4848 -0.2566 0.236 -0.6248 -0.7372 -0.7378 -0.49 -0.754 -0.2459 -0.8058 0.4508 -0.0595 -0.9325 0.6878 0.8403 -0.3104 -0.6328 1.2103 0.0876 0.2045 0.0303 -0.5384 0.5386 -1.2662 0.4957 0.5009 -0.1865 0.0411 -0.2888 -0.2803 0.2858 -0.3284 0.295 -0.3121 -0.183 -0.0922 -0.2473 -0.2188 0.111 -0.116 -0.9961 0.2868 -0.1233 1.2108 0.4643 -0.4777 0.7359 -0.299 0.0825 0.4479 1.2259 0.8957 -0.4283 0.8694 -0.722 -0.078 -0.5087 0.9515 -0.8839 -0.0357 -0.157 0.0457 1.5465 0.519 1.0548 0.0656 -0.2619 0.0187 -1.1775 0.4253 -0.3758 -0.2217 -0.2055 -0.2651 0.7902 -0.5023 -1.6808 -0.2073 0.9426 -0.1047 -0.4678 -0.4424 -0.0692 0.2227 -0.621 -0.3077 0.7225 0.5974 -0.2662 -0.8361 -0.4491 0.2344 -1.0694 0.9297 0.0579 -0.1839 0.2207 0.4234 0.4925 -0.0147 -0.2846 -1.2222 -0.1916 -0.9745 -0.2475 0.3765 0.4583 -0.3881 0.5618 -0.9625 0.3788 0.2058 -0.4467 0.2522 -0.5153 0.4848 -0.3007 1.2363 0.2408 0.3891 -1.0816 -0.6838 0.2596 0.2958 -0.24 0.7558 -0.1478 -0.0654 0.174 -0.5597 -0.4352 -0.0898 0.7671 0.076 0.145 0.6368 0.7636 -0.8784 0.1027 -0.2554 0.2427 -0.3257 -1.515 ]",{},"[ 0.4741 0.2596 0.2089 0.1404 -0.4439 0.3548 -0.2017 0.3453 0.2139 -0.0983 -0.3452 -0.0943 0.2138 0.199 0.0078 -0.4228 0.0516 -0.4918 0.2985 0.0406 -0.2428 0.1293 0.0904 0.8928 -0.4274 0.1884 -0.534 0.2978 0.0778 0.167 0.45 -0.1357 -0.0076 0.6191 0.1074 0.1539 -0.3504 0.2581 0.3414 -0.0319 0.0208 0.5887 0.5411 -0.4886 0.2133 0.1638 -0.0359 0.0363 0.2779 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[*]O[Si]([*])(C)CCCOc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1,,*O[Si](*)(C)CCCOc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1,282.35,GREA,282.35,,1,0.0,black,22,22.0,22,22,1,11.0,11.0,11.0,11.0,1.0,1,1,1,1,2.048867236473893,1,5,6,2,0,2,88.32000000000001,0.0,0,4.736862953800049,320.083078,5,17,10.920090102887634,18.24004229813441,0.9545454545454546,0,0,0,0,8,3,0,0,6,0.3181818181818182,7,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.868789734,1,6,9,2,0,2,97.55,0.0,0,4.736862953800049,378.0705692,8,17,11.005235344256448,23.907412229041345,1.12,0,0,0,0,13,3,0,0,6,0.4074074074074074,11,Polysiloxanes,Polysiloxanes/silanes,"[-1.3752 0.6427 -1.2104 -0.6312 -0.5554 0.5904 0.3243 -0.1712 -0.4812 0.4779 0.587 -0.4859 0.3516 -0.6467 0.4305 -0.591 1.8265 0.813 -0.9455 0.3593 0.87 -0.4076 0.7221 0.0785 -0.646 0.6664 1.4784 -0.0994 0.2251 0.104 -0.6278 -0.0558 2.043 -1.0115 -1.0397 -0.5855 0.7562 -0.0881 -0.5279 0.6928 -0.1478 0.1504 0.4072 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[*]O[Si]([*])(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4cc(OCC(C)CC)c(OCC(C)CC)c(OCC(C)CC)c4)cc3)cc2)cc1,,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4cc(OCC(C)CC)c(OCC(C)CC)c(OCC(C)CC)c4)cc3)cc2)cc1,333.15,GREA,333.15,,1,0.0,black,52,52.0,52,52,1,26.0,26.0,26.0,26.0,1.0,1,1,1,1,1.466739187206733,0,8,20,4,0,4,89.52000000000001,0.0,0,28.42117772280029,710.3818686879999,18,34,13.55053741,74.14944689,0.5,0,0,0,0,29,2,0,0,6,0.1538461538461538,8,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.4029242630494183,0,9,23,4,0,4,98.75,0.0,0,28.42117772280029,768.3693599019999,21,34,13.602526076607436,79.81681682044534,0.6181818181818182,0,0,0,0,34,2,0,0,6,0.2105263157894736,12,Polysiloxanes,Polysiloxanes/silanes,"[ 0.3733 0.62 0.2856 0.3967 -0.7656 0.9473 -0.9218 -0.2724 -0.2738 1.0462 -0.9822 -0.5866 0.1841 -0.0954 -0.4193 -0.2773 0.6698 -0.2065 -0.1415 0.2238 0.1093 -0.8406 -0.6769 1.2508 -0.4705 1.638 0.3547 -0.2087 -0.9931 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1.8910e-01 5.6245e-01 -5.7142e-01 -1.2451e-01 -7.6524e-01 -1.5250e-01 3.3920e-01 2.7017e-02 -5.0497e-01 -2.5909e-01 -2.2857e-01 -3.2405e-01 -8.4652e-02 -1.1049e-01 -3.6851e-01 -7.6905e-02 1.3465e-01 -2.7619e-02 3.5929e-01 3.5365e-02 -3.5795e-01 1.1559e-01 1.1975e-01 7.9115e-01 3.0181e-01 -2.8796e-01 -3.9480e-01 8.2332e-02 2.7458e-01 3.9462e-01 -1.8723e-01 -3.8280e-01 2.7322e-03 -6.6360e-01 7.1489e-01 -6.3900e-01 3.8575e-01 -2.9954e-02 -2.2429e-01 -1.5618e-01 -7.1853e-01 6.5472e-01 2.1559e-01 -4.1250e-03 -8.9933e-02 3.3961e-01 -1.4030e-01 -5.5794e-02 -1.2426e-01 1.5892e-01 -1.5315e-01 3.8609e-01 9.8843e-01 -3.3866e-01 1.6623e-02 2.4550e-02 5.0406e-01 8.9357e-01 1.4183e-01 2.6583e-01 9.2585e-03 7.3570e-01 -1.1176e-01 2.2804e-01 -2.1619e-01 -3.0760e-02 3.9151e-01 3.5599e-02 1.8683e-01 1.5841e-01 -4.1774e-01 -2.1138e-01 3.1150e-01 -2.3266e-01 -1.5941e-01 2.8585e-03 4.8199e-01 -3.1292e-01 -4.7774e-01 -6.1413e-01 -6.8039e-02 -2.4202e-01 4.8496e-01 2.2847e-01 8.4544e-02 -7.2880e-02 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[*]O[Si]([*])(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4cc(OCC)c(OCC)c(OCC)c4)cc3)cc2)cc1,,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4cc(OCC)c(OCC)c(OCC)c4)cc3)cc2)cc1,334.45,GREA,334.45,,1,0.0,black,43,43.0,43,43,1,21.5,21.5,21.5,21.5,1.0,1,1,1,1,1.3997418645172603,0,8,14,4,0,4,89.52000000000001,0.0,0,28.42117772280029,584.2410181119999,9,34,13.015892048489924,34.11577042168851,0.5116279069767442,0,0,0,0,20,2,0,0,6,0.1860465116279069,8,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.3310355182584306,0,9,17,4,0,4,98.75,0.0,0,28.42117772280029,642.2285093259999,12,34,13.06788071729036,39.78314035259544,0.6521739130434783,0,0,0,0,25,2,0,0,6,0.25,12,Polysiloxanes,Polysiloxanes/silanes,"[-3.2151e-01 6.6914e-01 -5.9089e-03 5.5751e-01 -6.1948e-01 6.7972e-01 -3.4098e-01 -7.4365e-01 -5.7657e-01 1.3978e+00 -6.5569e-01 -1.6639e+00 5.6410e-01 -3.5474e-01 -2.6811e-01 -2.4286e-02 7.1106e-01 5.8343e-01 -1.9542e-01 -1.2602e-01 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[*]O[Si]([*])(C)CCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1,,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1,311.15,GREA,311.15,,1,0.0,black,30,30.0,30,30,1,15.0,15.0,15.0,15.0,1.0,1,1,1,1,1.5747114656478465,0,6,8,3,0,3,71.06,0.0,0,18.94745182,406.1416384,4,26,12.286788083722712,13.344558822616634,0.6333333333333333,0,0,0,0,12,2,0,0,6,0.2,6,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.486731096726572,0,7,11,3,0,3,80.29,0.0,0,18.94745182,464.1291296,7,26,12.480097516131796,19.01192875352357,0.7878787878787878,0,0,0,0,17,2,0,0,6,0.2857142857142857,10,Polysiloxanes,Polysiloxanes/silanes,"[-0.3629 0.4114 -0.2055 -0.5606 -0.3536 -0.3624 -0.7909 0.119 -0.1192 0.4729 -0.1144 -0.6781 0.363 -0.3555 -0.1013 -1.0364 0.8941 0.7361 0.2144 -0.7506 0.6137 -0.5955 0.1369 0.2859 -0.4009 0.7407 1.1474 -0.4423 -0.6593 0.0353 -0.7552 0.2188 1.3933 1.076 -0.9186 -0.4557 0.147 -0.1384 -0.3896 0.2465 -0.4924 0.1058 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[*]O[Si]([*])(C)CCCOc1ccc(C(=O)Oc2ccc(OC(=O)CCCCC(=O)OC3CC(C)CCC3C(C)C)cc2)cc1,,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(OC(=O)CCCCC(=O)OC3CC(C)CCC3C(C)C)cc2)cc1,318.45,GREA,318.45,,1,0.0,black,39,39.0,39,39,1,19.5,19.5,19.5,19.5,1.0,1,1,1,1,1.352394063495138,0,7,13,3,1,2,88.13000000000001,0.0,0,14.210588861400147,538.2930537,17,22,12.393708361329493,85.16548816991887,0.8205128205128205,0,0,0,0,26,3,0,0,6,0.1794871794871795,7,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.3360990381948992,0,8,16,3,1,2,97.36,0.0,0,14.210588861400147,596.2805448979999,20,22,12.580501117584117,90.83285810082582,0.9047619047619048,0,0,0,0,31,3,0,0,6,0.25,11,Polysiloxanes,Polysiloxanes/silanes,"[ 0.404 0.2867 0.5365 0.3269 -0.6332 -0.0507 -1.0073 0.4817 0.1786 -0.0128 0.0941 -0.5618 0.4509 -0.447 -0.3823 -0.8317 0.2893 -0.3163 0.255 -0.0542 -0.0388 -0.8671 -0.0131 1.0698 -0.6495 0.6147 -0.2623 -0.0164 -0.5128 0.3306 0.0326 -0.0043 0.4322 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[*]O[Si]([*])(C)CCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1,,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1,310.15,GREA,310.15,,1,0.0,black,21,21.0,21,21,1,10.5,10.5,10.5,10.5,1.0,1,1,1,1,1.983584660069084,0,4,6,2,0,2,44.760000000000005,0.0,0,14.210588861400147,286.1205091,4,17,11.999600812547245,13.344558822616634,0.9047619047619048,0,0,0,0,9,1,0,0,6,0.1904761904761904,4,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.8257959291946944,0,5,9,2,0,2,53.99000000000001,0.0,0,14.210588861400147,344.1080003,7,17,12.192910244956328,19.01192875352357,1.0833333333333333,0,0,0,0,14,1,0,0,6,0.3076923076923077,8,Polysiloxanes,Polysiloxanes/silanes,"[-2.5543e-01 7.1225e-01 -4.2000e-01 -3.8013e-01 -2.6759e-01 -4.2004e-01 -7.8725e-01 -3.7414e-02 -3.2488e-02 9.4363e-01 4.3286e-01 -8.2277e-01 4.1016e-01 -1.2321e-01 2.0235e-01 -8.6853e-01 1.1903e+00 7.4454e-01 2.3633e-01 -1.0088e+00 8.7471e-01 -8.9693e-01 5.4077e-01 4.5922e-01 -2.8379e-01 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[*]O[Si]([*])(C)CCCOc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4CC(CC)CCCC)ccc1n2CC(CC)CCCC,,*O[Si](*)(C)CCCOc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4CC(CC)CCCC)ccc1n2CC(CC)CCCC,402.15,GREA,402.15,,1,0.0,black,46,46.0,46,46,1,23.0,23.0,23.0,23.0,1.0,1,1,1,1,1.4536905808471057,0,3,16,6,0,6,19.09,0.6666666666666666,2,4.736862953800049,614.4236143480001,19,27,6.128538689,105.49559341661238,0.5217391304347826,0,0,0,0,21,0,0,4,6,0.065217391,3,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.4018202347432591,0,4,19,6,0,6,28.32,0.6666666666666666,2,4.736862953800049,672.4111056,22,27,6.434142430325899,111.16296334751932,0.6530612244897959,0,0,0,0,26,0,0,4,6,0.1372549019607843,7,Polysiloxanes,Polysiloxanes/silanes,"[ 0.2378 0.2928 1.2162 1.1464 -0.2125 1.1106 0.682 -0.5632 -0.2328 1.1379 0.4073 -0.131 -0.0309 0.672 -0.2075 0.1119 -0.4115 -0.1137 0.3663 0.1856 0.1723 -0.5324 -0.2454 -0.0763 -0.8395 0.7528 0.809 0.453 0.5969 -0.4852 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[*]O[Si]([*])(C)CCCn1c2ccccc2c2ccccc21,,*O[Si](*)(C)CCCn1c2ccccc2c2ccccc21,328.6,GREA,328.6,,1,0.0,black,16,16.0,16,16,1,8.0,8.0,8.0,8.0,1.0,1,1,1,1,2.486379722029128,0,1,2,3,0,3,4.93,0.3333333333333333,1,0.0,209.1204495,3,13,2.4212962962962963,19.88931522852921,0.8125,0,0,0,0,3,0,0,1,6,0.0625,1,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.963881514909181,0,2,5,3,0,3,14.16,0.3333333333333333,1,0.0,267.10794069400004,6,13,6.022792894935753,25.556685159436142,1.105263157894737,0,0,0,0,8,0,0,1,6,0.238095238,5,Polysiloxanes,Polysiloxanes/silanes,"[ 0.6234 -0.2232 0.3372 0.5028 -0.6209 -0.0303 1.0672 -0.2974 0.0188 1.4992 1.1194 -1.2846 -0.664 -0.439 0.4932 -0.254 0.3637 0.0208 -0.5164 -1.4353 1.0381 0.2216 0.6446 -0.5365 -0.7179 0.9312 1.1315 -0.0382 -0.4155 0.2353 -0.4975 -0.3548 2.0599 0.0868 -1.0518 0.0274 0.998 -0.4266 0.8468 -0.4381 0.2692 -0.3552 0.9386 1.0719 -2.2856 1.5217 -1.5985 -1.4512 -0.2219 0.4013 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[*]O[Si]([*])(C)OCCCCCCCCCCCOc1ccc(C2COC(c3ccc(OC)cc3)OC2)cc1,,*O[Si](*)(C)OCCCCCCCCCCCOc1ccc(C2COC(c3ccc(OC)cc3)OC2)cc1,317.15,GREA,317.15,,1,0.0,black,33,33.0,33,33,1,16.5,16.5,16.5,16.5,1.0,1,1,1,1,1.272432695906109,1,5,15,3,1,2,57.150000000000006,0.0,1,9.473725907600098,456.2875743799999,19,14,8.777595911982386,69.99532738,0.696969697,0,0,0,0,23,0,0,0,6,0.1515151515151515,5,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.1843161078174762,0,6,18,3,1,2,55.38000000000001,0.0,1,9.473725907600098,514.2750655939999,22,14,6.015125037,76.54233873551179,0.7777777777777778,0,0,0,0,28,0,0,0,6,0.2368421052631578,9,Polysiloxanes,Polysiloxanes/silanes,"[-0.104 0.9074 -0.4748 0.3202 -1.0942 0.1586 -0.3638 -0.7057 -0.771 0.73 -0.4257 -2.5732 0.5711 0.2347 -0.5209 -0.1466 -0.0375 0.8367 -0.1114 -1.3355 1.4976 -0.7745 0.038 0.0857 -0.5555 1.1676 1.202 -0.5052 -0.3676 -0.1064 -0.9484 0.5233 1.9952 0.2446 -0.724 -0.7069 0.3408 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[*]O[Si]([*])(C)OCCCCCCCCCCCOc1ccc(C2COC(c3ccc(OCC(C)CC)cc3)OC2)cc1,,*O[Si](*)(C)OCCCCCCCCCCCOc1ccc(C2COC(c3ccc(OCC(C)CC)cc3)OC2)cc1,303.15,GREA,303.15,,1,0.0,black,37,37.0,37,37,1,18.5,18.5,18.5,18.5,1.0,1,1,1,1,1.2829834959240851,1,5,18,3,1,2,57.150000000000006,0.0,1,9.473725907600098,512.3501746359999,23,14,8.798785623893242,90.26362340413796,0.7297297297297297,0,0,0,0,27,0,0,0,6,0.1351351351351351,5,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,1.204902781646186,0,6,21,3,1,2,55.38000000000001,0.0,1,9.473725907600098,570.3376658499999,26,14,6.082098883,96.81063475781905,0.8,0,0,0,0,32,0,0,0,6,0.2142857142857142,9,Polysiloxanes,Polysiloxanes/silanes,"[ 0.0058 0.6449 -0.2934 0.5227 -1.4213 0.3672 -0.1834 -0.3269 -0.5919 0.5597 -0.5742 -1.9904 0.6425 0.4921 -0.5605 0.4762 -0.1209 0.6794 0.1695 -0.9969 1.3024 -0.7112 -0.5012 -0.0882 -0.5921 0.9575 0.9059 0.0155 -0.1625 -0.2127 -0.9775 0.5912 1.4831 0.2121 -1.0414 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[*]O[Si]([*])(C)OCCOCCOCCOCCOCCOCCOCCOCCOC,,*O[Si](*)(C)OCCOCCOCCOCCOCCOCCOCCOCCOC,195.15,GREA,195.15,,1,0.0,black,26,26.0,26,26,1,13.0,13.0,13.0,13.0,1.0,1,1,1,1,2.946912013,1,9,23,0,0,0,94.07000000000002,0.0,0,0.0,384.2359327319999,26,0,8.513336932255633,0.0,0.3846153846153846,0,0,0,0,25,0,0,0,0,0.3461538461538461,9,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.051198916842522,0,10,26,0,0,0,92.30000000000004,0.0,0,0.0,442.2234239459999,29,0,5.797413531759393,6.547011353681087,0.5172413793103449,0,0,0,0,30,0,0,0,0,0.4193548387096774,13,Polysiloxanes,Polysiloxanes/silanes,"[-9.6575e-01 6.2181e-01 -5.7376e-01 9.8115e-01 -1.0939e+00 3.6313e-01 3.2835e-01 -3.2426e-01 -1.2528e+00 5.9613e-01 -7.5362e-01 -4.3283e+00 5.6278e-01 2.4480e-01 -7.3124e-01 8.1220e-01 -2.3470e-01 2.0260e+00 -4.5557e-01 -1.4968e+00 1.6499e+00 -4.1744e-01 -7.7035e-01 7.9941e-02 -5.1972e-01 6.3716e-01 1.0857e+00 5.3092e-01 -1.4729e+00 -1.4700e+00 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[*]O[Si]([*])(C)c1c(F)c(F)c(F)c(F)c1F,,*O[Si](*)(C)c1c(F)c(F)c(F)c(F)c1F,248.15,GREA,248.15,,1,0.0,black,11,11.0,11,11,1,5.5,5.5,5.5,5.5,1.0,1,1,1,1,3.455546483817784,0,0,0,1,0,1,0.0,0.0,0,0.0,167.9998411,5,6,12.022407407407409,0.0,0.6363636363636364,5,5,0,0,5,0,0,0,6,0.4545454545454545,5,5,1,2.5395388613593908,0,1,1,0,0,0,9.23,0.0,0,0.0,60.00314128,3,0,5.25,6.547011353681087,3.0,0,0,0,0,4,0,0,0,0,0.8,4,3.645794911298936,0,1,2,1,0,1,9.23,0.0,0,5.186725645687458,225.9873323,8,6,13.386782407407408,6.547011353681087,1.0,5,5,0,0,10,0,0,0,6,0.5625,9,Polysiloxanes,Polysiloxanes/silanes,"[-8.0340e-01 2.2199e-01 6.5836e-01 -3.0890e-01 9.0026e-01 -6.6189e-01 1.0551e+00 -6.6215e-01 -9.0079e-01 6.5964e-01 5.9985e-01 -1.3016e+00 -1.4353e+00 5.1371e-01 -1.0070e+00 -2.4987e+00 -3.0637e-01 2.3778e-01 -4.1422e-01 -1.1706e+00 -1.3632e-01 -4.2945e-01 5.4450e-01 -1.1792e+00 -1.2307e-01 -1.6746e-01 3.1343e-01 -4.2419e-01 -9.2895e-01 2.0630e-01 -7.3600e-01 -1.2710e+00 8.0612e-01 1.1015e-01 -1.0860e+00 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2.2444e-01 -3.4948e-02 -2.0723e-01 -1.6165e-01 5.1761e-01 3.2004e-03 1.0858e+00 4.6203e-01 -1.7735e-01 -5.8764e-01 3.8608e-03 4.1295e-01 -4.1992e-01 1.9155e-01 3.8143e-01 1.0536e-01 2.0929e-01 -3.6712e-01 -9.2580e-02 -1.8640e-01 -5.0479e-01 1.7925e-03 9.5550e-02 8.1949e-01 6.6219e-01 -3.5801e-01 -1.0391e-01 1.6231e-01 -1.4793e-01 -4.9120e-01 2.0220e-01 2.5410e-01 3.2787e-01 -4.8397e-01]" [*]O[Si]([*])(CC)CC,,*O[Si](*)(CC)CC,134.15,GREA,134.15,,1,0.0,black,4,2.0,2,2,2,1.0,1.0,1.0,2.0,1.0,1,1,2,1,2.0,0,0,0,0,0,0,0.0,0.0,0,0.0,60.09390038,4,0,4.0,27.694948798762496,2.0,0,0,0,0,2,0,0,0,0,0.0,0,4,1,1.9747448713915887,0,1,1,0,0,0,9.23,0.0,0,0.0,45.98749121,2,0,5.041666666666666,0.0,3.5,0,0,0,0,3,0,0,0,0,1.0,4,3.5832125652604643,0,1,3,0,0,0,9.23,0.0,0,0.0,102.0500915,6,0,5.736111111111111,25.93566595321419,1.8333333333333333,0,0,0,0,7,0,0,0,0,0.5,4,Polysiloxanes,Polysiloxanes/silanes,"[-5.0458e-01 -3.2456e-01 -8.8684e-01 1.2940e+00 -4.2251e-02 6.2272e-01 2.0679e+00 -1.3161e+00 1.0093e+00 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-3.8481e-01 -4.0361e-01 6.1672e-01 1.8923e-01 1.0543e-01 9.4283e-02 4.5618e-01 -6.8151e-01 -3.6503e-01 1.8728e-01 -5.0750e-01 4.2351e-02 -2.7102e-01 5.8812e-01 -1.4922e-01 -8.1164e-01 2.2885e-01 -6.6817e-01 1.2343e-01 2.5155e-02 -1.4327e-01 8.9048e-01 -2.0269e-01 -4.8458e-01 -2.4105e-01 9.8781e-01 7.0931e-02 -9.1174e-01 -1.5881e-01 1.9251e-01 5.1169e-01 -1.2793e+00]" [*]O[Si]([*])(CCC)c1ccccc1,,*O[Si](*)(CCC)c1ccccc1,313.75,GREA,313.75,,1,0.0,black,9,4.5,6,3,2,2.25,1.5,3.0,4.5,1.0,1,1,2,2,4.632993161855453,0,0,0,1,0,1,0.0,0.0,0,0.0,122.1095504,3,6,4.125,20.268296022307258,1.6666666666666663,0,0,0,0,2,0,0,0,6,0.0,0,4,1,1.9747448713915887,0,1,1,0,0,0,9.23,0.0,0,0.0,45.98749121,2,0,5.041666666666666,0.0,3.5,0,0,0,0,3,0,0,0,0,1.0,4,2.8888617181884166,0,1,4,1,0,1,9.23,0.0,0,5.186725645687458,164.06574153399998,5,6,6.064259259259259,19.388654599533105,1.5454545454545454,0,0,0,0,7,0,0,0,6,0.3076923076923077,4,Polysiloxanes,Polysiloxanes/silanes,"[-0.3464 -0.0383 -0.4003 0.597 0.7873 -0.3069 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[*]O[Si]([*])(c1ccccc1)c1ccc(OC(C)(C)C)cc1,,*O[Si](*)(c1ccccc1)c1ccc(OC(C)(C)C)cc1,329.15,GREA,329.15,,1,0.0,black,17,8.5,11,6,2,4.25,3.0,5.5,8.5,1.0,1,1,2,2,5.657660984532226,0,1,1,2,0,2,9.23,0.0,0,4.736862953800049,228.1514153,4,13,7.601666666666667,26.37226241005556,1.3333333333333333,0,0,0,0,5,0,0,0,12,0.090909091,1,4,1,1.9747448713915887,0,1,1,0,0,0,9.23,0.0,0,0.0,45.98749121,2,0,5.041666666666666,0.0,3.5,0,0,0,0,3,0,0,0,0,1.0,4,2.314938824672353,0,2,4,2,0,2,18.46,0.0,0,15.110314245174964,270.1076063,6,13,6.309878472222223,26.37226241005556,0.9473684210526316,0,0,0,0,10,0,0,0,6,0.238095238,5,Polysiloxanes,Polysiloxanes/silanes,"[ 0.0251 0.753 -0.7506 -0.1546 0.0465 -0.2416 1.2871 -0.4864 -0.0999 0.6948 0.1043 -1.8099 0.1832 -0.0161 0.4339 0.0287 0.4049 0.3866 0.8494 -0.4479 1.406 0.2539 0.6807 -0.0372 -0.3292 0.584 1.7533 -0.7343 -0.3902 1.0024 -1.1374 -0.0322 1.1272 0.4246 -0.9659 -0.2455 0.5434 0.3722 -0.1702 0.433 0.4487 -0.6504 1.2928 1.3376 -0.331 1.3606 -0.8233 -1.4057 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[*]Oc1c(-c2ccccc2)cc([*])cc1-c1ccccc1-c1ccccc1,,*Oc1c(-c2ccccc2)cc(*)cc1-c1ccccc1-c1ccccc1,484.15,GREA,484.15,,1,0.0,black,18,9.0,12,6,2,2.25,1.5,3.0,4.5,3.0,3,3,6,2,5.457149480139046,0,0,1,3,0,3,0.0,0.0,0,0.0,232.1252005,0,18,4.12037037,0.0,0.75,0,0,0,0,1,0,0,0,12,0.0,0,9,1,2.881555877646136,0,1,1,1,0,1,9.23,0.0,0,11.172894463302317,92.02621475,0,7,5.246944444444445,0.0,1.4285714285714286,0,0,0,0,3,0,0,0,6,0.3333333333333333,3,1.977660687000426,0,1,4,4,0,4,9.23,0.0,0,11.172894463302317,320.1201151,0,25,6.208953609221467,0.0,0.56,0,0,0,0,6,0,0,0,6,0.1111111111111111,3,Polyoxides,Polyoxides/ethers/acetals,"[-0.1296 0.3149 -0.8991 1.4758 0.4076 0.0862 0.7277 -0.6025 -0.8446 1.4799 0.9323 -0.1205 0.8379 -0.4281 0.0629 0.4851 0.334 0.093 0.601 -0.653 0.7578 -1.4508 0.8507 -0.4743 -0.6436 0.9936 1.1853 -0.4886 -1.8942 -0.215 -0.536 -0.4427 -0.1023 -0.5318 -1.4502 -0.499 0.5089 1.0064 0.8268 -0.8886 -0.125 -0.7044 0.4108 0.7888 -0.1429 2.2013 0.0511 -1.109 -0.715 0.3688 -0.508 -1.9598 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[*]Oc1c(Br)cc(C(c2cc(Br)c(OC([*])=O)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br,,*Oc1c(Br)cc(C(c2cc(Br)c(OC(*)=O)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br,479.15,GREA,479.15,,1,0.0,black,8,4.0,4,4,2,0.5714285714285714,0.5714285714285714,0.5714285714285714,1.1428571428571428,6.0,6,6,12,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,140.0060694,8,0,19.33333333333333,13.35842818841618,2.0,6,6,0,0,6,0,0,0,0,1.5,6,23,1,2.324640674,0,3,4,2,0,2,35.53,0.0,0,9.843390348640757,537.7050425,5,16,11.258943825448744,6.4208216229260096,0.9523809523809524,4,0,0,4,11,1,0,0,6,0.391304348,9,3.002158301651477,0,3,4,2,0,2,35.53,0.0,0,9.843390348640757,673.6798117,13,16,14.387054253800288,17.76758750428373,0.7931034482758621,10,6,0,4,19,1,0,0,6,0.4838709677419355,15,Polycarbonates,Polycarbonates/thiocarbonates,"[-0.6429 -1.8803 -0.8593 -0.5622 0.159 1.0081 -1.619 0.028 -1.5922 -0.3553 -0.327 -0.0602 -0.5002 -1.0206 0.5149 -1.2552 -1.3734 -0.4524 -1.7486 -0.0663 -0.5684 -1.209 -0.5912 0.5741 -0.423 0.1862 -0.5872 -2.2321 -0.0957 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-0.4081 -0.514 -1.1799 -1.8666 -0.3642 0.5882 -0.3651 -0.6819 0.9378 0.6549 0.3518 1.3863 2.0281 0.7044 -0.5368 -0.2357 -0.7228 -2.1919 -0.8619 -0.6392 -1.7764 -2.1135 -0.0351 0.1009 -0.8304 -1.2957 -0.203 0.2188 0.7443 0.9705 0.5564 1.3895 0.634 1.1104 0.6382 0.2871 -0.9131 -0.8116 -1.6682 -1.1359 1.9767 1.7768 0.4061 0.9594 0.8713 1.2601 -0.8558 0.387 0.2353 -0.6571 -0.4842 1.0492 -1.6541 -0.3932 -0.6997 -0.9986 0.1207 0.0319 -1.1285 1.0723 1.0928 -1.0357 -1.821 -1.1026 1.5096 1.8558 -0.4527 0.0432 -0.693 1.1903 0.3204 0.0061 0.9347 1.1434 -0.0693 -0.0212 0.5494 0.763 -2.3623 2.0044 0.9097 -0.0086 1.0767 -1.7759 -0.6707 0.0682 -0.7717 -0.1008 0.0599 0.1511 -0.1172 -0.011 ]",{},"[-0.0999 -0.6545 -0.7228 -0.6134 -0.0699 0.5011 -0.4004 0.9491 -0.7119 -0.3636 -0.3464 -0.7317 -0.1865 -0.2112 0.8523 0.0685 -0.6263 -0.1449 -0.3071 0.6421 -0.2616 -0.2366 -0.0889 0.2269 -0.2896 -0.2402 -0.6439 -1.122 0.5214 0.5076 0.3633 0.3967 -0.3408 -0.6895 -0.783 -0.5039 0.7678 0.6448 -0.578 0.585 0.0134 0.0927 -0.3191 -0.333 0.6634 -0.0608 0.7042 0.616 0.1732 0.0704 -0.5642 0.0166 0.3973 1.0684 0.1219 -0.6009 0.4699 -0.0778 1.1439 0.1939 0.2842 0.5319 -0.2017 0.2244 -0.1072 -0.3739 0.3482 0.2149 0.3612 -0.2337 0.2704 -0.0218 0.6026 0.4679 -0.5421 -0.2594 -0.3642 0.4823 -0.0326 -0.6206 1.0831 1.5595 0.5074 -0.1164 0.2524 -0.0712 0.9972 -0.0651 0.0627 -0.9556 -0.0824 0.081 -0.6989 0.185 -0.5356 0.2052 0.526 -0.1491 -0.1076 -0.8244 -0.6315 -0.5373 1.1331 0.4009 0.443 -0.8071 0.3377 -0.4571 0.8878 0.2017 0.1644 -0.0356 -0.147 -0.0174 -0.3901 0.0081 0.7363 0.1938 0.1323 0.1561 0.1801 0.3308 -0.2173 0.9868 0.2433 -0.7393 -0.573 -0.4728 -0.029 0.8487 -0.0502 0.0689 0.9177 -0.5191 -0.4591 0.8733 -0.1744 -1.036 0.1527 -0.9877 -0.0038 0.0077 0.3271 -0.2282 0.6225 0.817 0.0151 -0.0786 -0.0962 0.4614 -0.2054 0.9331 0.0223 0.5042 -0.5137 1.2593 -0.5374 -0.1546 0.2811 0.5417 0.2168 -0.0245 -0.4845 0.0465 -0.4626 -0.1306 -0.3651 -0.7822 0.0767 0.6099 0.1281 0.1094 0.3154 -0.425 0.5928 0.4998 0.7836 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[*]Oc1c(Cl)cc(C(c2cc(Cl)c(OC([*])=O)c(Cl)c2)C2CC3CCC2C3)cc1Cl,,*Oc1c(Cl)cc(C(c2cc(Cl)c(OC(*)=O)c(Cl)c2)C2CC3CCC2C3)cc1Cl,543.15,GREA,543.15,,1,0.0,black,7,7.0,7,7,1,1.0,1.0,1.0,1.0,6.0,6,6,6,1,2.1190715162660227,0,0,0,2,2,0,0.0,0.5,0,0.0,96.09390038,7,0,1.5833333333333337,32.10410811463005,0.7142857142857143,0,0,0,0,8,0,0,1,5,0.0,0,23,1,2.324640674,0,3,4,2,0,2,35.53,0.0,0,9.843390348640757,361.9071048,5,16,11.164422220510472,6.4208216229260096,0.9523809523809524,4,0,4,0,11,1,0,0,6,0.391304348,9,1.821020115896172,0,3,5,4,2,2,35.53,0.25,0,9.843390348640757,455.9853551,12,16,11.524587392856832,31.60119253786543,0.9642857142857144,4,0,4,0,20,1,0,1,6,0.3,9,Polycarbonates,Polycarbonates/thiocarbonates,"[ 0.9559 0.0067 -0.4861 -1.7438 0.0341 0.1849 -1.0596 -0.4368 -1.096 0.9927 0.1812 -0.0734 -1.3122 -0.9995 0.3782 -0.9072 -0.191 -0.2388 -0.9832 -0.6583 1.1993 -0.494 0.7696 1.1466 0.7906 0.7091 0.688 -1.6388 -1.8978 0.0816 1.3345 0.623 1.3086 -1.1978 -0.746 -0.4669 0.8643 0.1813 -0.5118 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-4.0004e-01 3.2556e-01 -6.2101e-02 -4.7977e-01 3.5419e-01 -2.9644e-01 -5.9481e-01 -8.3206e-01 2.9857e-01 4.2544e-01 2.1027e-01 -7.9536e-02 4.7895e-02 -6.6663e-01 -1.1630e-01 9.5947e-01 3.2482e-01 1.5103e-01 5.3816e-01 4.7193e-01 1.1788e-01 -7.3167e-01 4.2675e-01 2.3556e-01 6.2388e-01 -8.0497e-02 -6.4709e-01 -1.1293e-01 7.5023e-02 -6.8496e-01 -3.9423e-01 5.6430e-01 -1.5268e-01 -5.5822e-01 7.2096e-01 1.0137e+00 -2.6488e-01 -8.6819e-01 3.3838e-01 4.5877e-01 -3.2968e-01 1.7766e-01 -9.0671e-04 -3.5094e-01 -1.7134e-01 2.6853e-01 -8.7736e-01 -6.2884e-01 7.7981e-01 5.5536e-01 3.3272e-01 -1.0129e-01 1.8639e-01 2.3191e-01 -2.3272e-01 6.9901e-01 3.1411e-01 1.4351e-01 4.4738e-01 4.1174e-01 -2.2380e-01 -8.7522e-01 -2.3783e-01 -9.0030e-01 -5.0386e-01 -4.7424e-01 5.4531e-01 -6.4652e-01 4.7388e-01 -2.4171e-01 3.1133e-01 -8.2598e-01 -5.3013e-01 2.8226e-01 1.0224e-02 4.5808e-01 -1.9450e-01 2.3242e-02 -3.3600e-02 -7.0894e-02 1.3103e-01 1.6488e-01 -9.9682e-01 -7.5573e-01 7.4680e-01 4.5199e-01 2.5691e-01 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6.1993e-01 3.7135e-01 7.0743e-01 1.2044e-01 3.4392e-02 7.4739e-02 -2.3904e-01 -5.0479e-01 4.6069e-01 -4.3753e-01 -6.1752e-01 -6.5333e-02 -4.5005e-01 -8.5405e-01 1.7812e-01 -3.8252e-01 -1.1948e-01 -4.0555e-01 -5.3731e-01 9.3730e-01 -8.3642e-01 5.7468e-01 4.9424e-02 5.6804e-01 3.7146e-01 -1.1879e-01 -5.2990e-01 5.7851e-02 -5.4762e-01 3.5023e-01 1.2557e-01 3.7137e-02 -3.9564e-01 7.0737e-01 5.6019e-01 4.7431e-01 3.1296e-01 -2.2537e-01 -6.0363e-01 8.2953e-01 3.8960e-01 -6.1749e-01 6.5010e-01 8.1005e-02 -4.0840e-01 -3.9931e-01 -2.4396e-01 2.7687e-01 3.7140e-01 -1.6709e-01 -2.5650e-01 4.7345e-01]" [*]Oc1c(F)c(F)c(Oc2c(F)c(F)c3c(c2F)C(=O)N(c2c(F)c(F)c(F)c(N4C(=O)c5c(F)c([*])c(F)c(F)c5C4=O)c2F)C3=O)c(F)c1F,,O=C(C1=C(F)C(F)=C([*])C(F)=C12)N(C3=C(F)C(F)=C(F)C(N4C(C5=C(F)C(OC6=C(F)C(F)=C(O[*])C(F)=C6F)=C(F)C(F)=C5C4=O)=O)=C3F)C2=O,582.15,Qiu,582.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,52,1,1.5286323742711518,0,6,5,6,2,4,93.22,0.3333333333333333,2,25.70957687880332,725.9532808000001,14,36,16.01622947,0.0,0.38,14,14,0,0,29,4,0,2,6,0.4615384615384615,24,1.5286323742711518,0,6,5,6,2,4,93.22,0.3333333333333333,2,25.70957687880332,725.9532808000001,14,36,16.01622947,0.0,0.38,14,14,0,0,29,4,0,2,6,0.4615384615384615,24,Other class,Other class,"[ 0.3127 -1.0979 1.0992 -1.0555 1.2668 -1.3161 0.6155 -1.7057 -2.0098 -0.2309 0.3262 -1.4321 -1.3973 -0.1974 -0.869 -2.9989 -1.5151 -1.014 -1.0612 -0.3433 -1.0791 -1.3744 0.9211 -0.3557 1.2374 -0.0775 -0.9333 0.6733 -1.0504 -1.0552 -0.2408 -1.1642 0.3398 -0.5438 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-2.1221 -0.698 -1.1264 1.2451 0.5794 0.1914 0.3481 2.8149 -0.7161 -1.06 -1.4315 0.2098 0.9485 -0.7554 -1.5515 -0.6064 0.2157 0.9898 -0.9678 -1.0256 0.2996 2.2307 1.2228 1.0074 -0.4358 1.542 -0.3678 0.1807 0.0717 -0.2509 -0.9394 0.5382 0.9925 -0.9094 1.7482 0.3101 -0.2175 0.5199 0.9239 1.7452 -1.1458 -0.8561 1.3752 -0.9006 -0.5699 0.7904 -2.1754 -2.4324 0.7372 -0.4396 -0.0859 -0.0828 -0.0669 2.5773 -1.0936 1.8533 0.2765 -0.4929 1.1959 -0.2505 -0.8473 0.3447 -0.8344 0.8041 1.0056 0.4672 0.1396 1.3801 0.2213 1.5171 1.4981 -0.5456 -1.5996 0.5808 -0.2141 -0.4119 1.6526 0.5166 -1.5561 -0.6436 0.4176 0.8122 0.882 0.9498 0.3863 1.2046]",{},"[-0.6125 -0.0824 1.0553 -0.9002 0.5725 -0.7439 0.7561 -0.3611 -0.6181 -0.4838 0.0075 -0.643 -0.5791 0.1078 -0.1569 -1.264 -0.393 -0.1062 -0.274 0.3094 -0.8507 -0.6081 0.4886 -0.7942 0.4646 -0.3229 -0.6474 0.662 -0.5122 -0.1658 -0.0207 -0.676 0.0572 -0.3868 -0.4496 0.456 0.33 0.225 -0.1154 -0.1905 0.206 0.2727 0.2591 0.3744 0.4133 -0.8976 -0.8868 0.1021 0.1723 0.9358 0.0352 -0.4839 -0.1215 0.8994 -0.6089 -0.5342 -0.5515 0.8398 0.4099 0.2655 1.1404 0.5439 0.2192 0.3401 -0.301 0.0112 0.1872 0.271 -0.371 -0.3618 -0.1584 -0.9551 0.0156 0.753 -0.5529 0.7696 -0.1993 0.1965 0.2418 -1.1057 0.7633 0.037 -0.2215 0.4157 0.3328 0.5125 -0.1677 0.2701 -0.5911 0.2172 0.6893 0.0667 -0.5345 0.1528 0.4198 -0.4118 1.0091 -0.454 -0.1486 -0.4119 0.7433 -0.131 0.0384 0.2338 0.0108 0.0934 0.104 0.5685 0.8767 0.5869 -1.7438 -0.7582 0.4571 -0.4926 0.2094 0.2275 0.1675 0.2548 0.0699 0.4276 -0.7893 0.1495 0.1961 -0.0071 0.3245 0.4406 0.4429 -1.004 0.0315 0.4148 0.0814 -0.2429 1.2026 -0.4653 0.0259 0.3458 1.1367 -0.6686 -0.2186 -0.1085 0.4707 0.4816 0.1913 0.0603 -0.7133 -0.435 -0.2014 -0.9295 -0.2535 0.5383 0.1497 0.3896 -0.434 0.3664 0.4343 0.0975 0.1766 -0.4355 -0.9647 0.1941 0.2574 0.0523 0.7792 0.4041 -1.2015 0.1838 -0.2917 0.0844 0.7287 0.2114 -0.7487 0.2418 -0.7599 -0.1008 0.7247 -0.1628 -0.1683 0.9063 0.2623 -0.4343 -0.3713 0.36 0.3579 -0.4242 -0.997 -0.0894 0.5811 -0.0185 -0.288 0.1346 0.1275 0.7373 0.3423 0.3639 -0.5622 0.5965 0.2378 0.0064 0.0066 -0.2836 0.0276 0.3073 0.4642 -0.0892 0.694 0.5594 0.0122 0.0807 0.3036 0.5187 -0.8843 -0.6246 0.6756 -1.047 -0.4386 0.2297 -0.7773 -0.9464 0.2975 -0.5291 0.1249 -0.3124 -0.0653 1.1435 -0.9914 0.7 0.1912 0.1641 0.8847 -0.2567 -0.2573 -0.1134 -0.773 0.2304 -0.1822 0.1045 -0.4601 0.7696 0.1763 0.499 0.3117 -0.5318 -0.5343 0.1513 0.1141 -0.264 0.7962 0.4963 -0.1976 -0.6302 -0.2734 0.0707 0.5198 0.4481 -0.2461 1.0714]" [*]Oc1c(F)c(F)c(Oc2c(F)c(F)c3c(c2F)C(=O)N(c2c(F)c(F)c(Oc4c(F)c(F)c(N5C(=O)c6c(F)c([*])c(F)c(F)c6C5=O)c(F)c4F)c(F)c2F)C3=O)c(F)c1F,,O=C(C1=C(F)C(F)=C([*])C(F)=C12)N(C3=C(F)C(F)=C(OC4=C(F)C(F)=C(N5C(C6=C(F)C(OC7=C(F)C(F)=C(O[*])C(F)=C7F)=C(F)C(F)=C6C5=O)=O)C(F)=C4F)C(F)=C3F)C2=O,573.15,Qiu,573.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,63,1,1.2864595397072691,0,7,7,7,2,5,102.45,0.2857142857142857,2,30.44643983260337,889.9418083,18,43,15.583819045735646,0.0,0.3114754098360656,18,18,0,0,35,4,0,2,6,0.4603174603174603,29,1.2864595397072691,0,7,7,7,2,5,102.45,0.2857142857142857,2,30.44643983260337,889.9418083,18,43,15.583819045735646,0.0,0.3114754098360656,18,18,0,0,35,4,0,2,6,0.4603174603174603,29,Other class,Other class,"[ 3.2823e-02 -8.9490e-01 9.9402e-01 -1.0052e+00 1.2048e+00 -7.0618e-01 5.8089e-01 -1.8945e+00 -1.7180e+00 -3.6141e-01 -2.5720e-01 -1.2254e+00 -8.6603e-01 -3.7153e-01 -1.2227e+00 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-8.7262e-01 -7.2619e-01 4.0872e-01 1.6361e+00 1.2449e+00 1.2203e+00 -4.4818e-01 1.2540e+00 2.8993e-02 1.2413e-01 4.0112e-01 4.6831e-02 -7.7085e-01 6.6272e-01 1.3451e+00 -7.4814e-01 1.3285e+00 5.3749e-01 -5.6695e-01 1.4273e-01 9.0228e-01 1.3780e+00 -1.3004e+00 -5.6710e-01 7.3485e-01 -1.4440e+00 -6.1904e-01 1.3274e+00 -1.4211e+00 -1.9226e+00 4.1456e-01 -4.6238e-01 -2.3373e-01 -4.8403e-01 -5.6630e-01 2.2717e+00 -1.3853e+00 1.0243e+00 8.5967e-01 -3.5226e-01 1.2704e+00 -7.0942e-01 -1.0363e+00 2.0387e-01 -1.0288e+00 3.9610e-01 8.3242e-01 1.6074e-01 -1.9818e-03 1.0102e+00 3.6367e-01 1.4669e+00 1.2106e+00 -5.1590e-01 -1.7073e+00 4.3894e-01 -3.5646e-01 -1.8840e-01 2.2472e+00 1.6388e-01 -1.2855e+00 1.4171e-01 4.5941e-01 7.3748e-01 8.6166e-01 1.0279e+00 5.2374e-01 1.0713e+00]",{},"[-0.6728 -0.1814 1.0257 -0.6124 0.9046 -0.2639 0.7355 -0.0919 -0.2278 -0.0039 -0.1697 -0.4482 -0.4161 0.247 -0.3406 -0.702 -0.1835 -0.1336 -0.2347 0.3837 -0.8679 -0.766 0.4219 -0.841 0.5263 -0.0488 -0.498 0.4105 -0.5264 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0.4904 0.2243 0.0931 0.2045 0.2668 -0.3818 0.544 -0.9206 -0.0406 0.5082 0.0305 -0.3374 1.0501 0.4729 -0.271 0.1771 0.5916 0.3154 -0.0544 -1.0146 -0.0849 0.7835 -0.1208 0.2344 0.2225 0.2997 0.4641 0.5841 0.6051 -0.713 0.8112 0.4336 -0.1929 -0.0314 -0.1836 -0.0481 0.0962 0.3533 -0.1457 0.6798 0.5702 -0.2766 0.1872 0.3502 0.5162 -0.8438 -0.6247 0.6371 -1.4514 -0.4301 0.4671 -0.8891 -0.7768 0.4146 -0.5556 -0.4076 -0.5479 -0.233 1.3097 -1.0552 0.3634 0.0979 0.2205 0.5128 -0.2534 -0.2407 -0.3489 -0.9345 0.0311 0.1859 -0.3739 -0.5388 0.5826 0.4801 0.1725 0.1376 -0.6466 -0.6742 -0.0897 -0.2954 -0.0643 0.8952 0.5492 -0.2342 -0.2447 -0.2689 0.1886 0.5384 0.4079 -0.4994 1.0928]" [*]Oc1c(F)c(F)c(Oc2c(F)c(F)c3c(c2F)C(=O)N(c2c(F)c(F)c(Sc4c(F)c(F)c(N5C(=O)c6c(F)c([*])c(F)c(F)c6C5=O)c(F)c4F)c(F)c2F)C3=O)c(F)c1F,,O=C(C1=C(F)C(F)=C([*])C(F)=C12)N(C3=C(F)C(F)=C(SC4=C(F)C(F)=C(N5C(C6=C(F)C(OC7=C(F)C(F)=C(O[*])C(F)=C7F)=C(F)C(F)=C6C5=O)=O)C(F)=C4F)C(F)=C3F)C2=O,551.15,Qiu,551.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,63,1,1.2864595397072691,0,7,7,7,2,5,93.22,0.2857142857142857,2,25.70957687880332,905.9189646800002,19,42,15.600485712402314,9.790966951,0.360655738,18,18,0,0,35,4,0,2,6,0.4603174603174603,29,1.2864595397072691,0,7,7,7,2,5,93.22,0.2857142857142857,2,25.70957687880332,905.9189646800002,19,42,15.600485712402314,9.790966951,0.360655738,18,18,0,0,35,4,0,2,6,0.4603174603174603,29,Other class,Other class,"[-3.0944e-01 -9.7431e-01 8.0964e-01 -6.5696e-01 1.5367e+00 -6.9970e-01 9.4677e-01 -1.7713e+00 -1.6685e+00 -4.3405e-01 -1.1189e-01 -1.4052e+00 -5.2839e-01 4.1493e-02 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-3.6047e-01 -2.6813e-01 5.8036e-01 -4.9420e-01 -1.8518e-01 -4.7209e-01 1.0615e+00 6.1615e-01 -5.6204e-01 -1.7523e+00 3.1295e-01 1.2445e+00 -1.2294e+00 -1.5410e-01 -9.9234e-02 -3.9197e-01 -1.0988e+00 9.5871e-01 6.3253e-01 -1.7634e+00 -2.3352e-01 7.5184e-02 7.1852e-01 1.5374e-01 1.2140e+00 -1.6162e-01 -1.5021e+00 -6.4518e-02 8.8433e-01 -6.6432e-01 1.8991e-01 2.5227e+00 -1.0252e+00 -3.3233e-01 4.0599e-01 1.5714e+00 -8.1012e-01 -5.0840e-02 -1.2612e-02 8.0511e-01 1.9699e-01 -1.2448e+00 -5.9008e-01 -1.0328e+00 -8.8445e-01 -1.2332e+00 -2.0240e+00 -1.5118e+00 9.0808e-01 6.9643e-01 -9.4150e-02 -5.4755e-01 -5.2616e-01 9.1153e-01 5.4731e-01 1.0987e+00 2.3802e-01 -1.6305e+00 9.2772e-01 1.6975e-01 5.4322e-01 1.5947e+00 1.6873e+00 -1.3721e+00 -1.1930e-01 -8.5655e-01 2.4327e-01 2.5747e-01 -2.8364e-01 -1.5387e+00 -4.8793e-02 -1.0774e+00 1.0764e+00 9.3252e-01 2.9429e-01 2.9920e-01 2.8322e+00 -3.0486e-01 -6.0013e-01 -1.4091e+00 -2.4934e-01 9.0605e-01 -1.0492e+00 -1.1835e+00 -6.5025e-01 2.8737e-01 6.1117e-01 -5.6813e-01 -5.5759e-01 3.5628e-01 2.0675e+00 1.1214e+00 1.0599e+00 -4.2627e-01 1.2400e+00 1.3992e-01 4.2749e-01 -4.4701e-02 -6.9524e-01 -6.1013e-01 4.6112e-01 1.2727e+00 -1.2240e+00 1.4442e+00 5.9949e-01 -2.8026e-01 4.2799e-01 6.5398e-01 1.2350e+00 -1.2848e+00 -1.1325e+00 5.9385e-01 -1.3699e+00 -7.2575e-01 1.3873e+00 -1.5308e+00 -1.4844e+00 4.1794e-01 -1.0840e-01 -2.7023e-01 -5.6269e-01 -7.2516e-01 2.5623e+00 -1.5318e+00 1.1509e+00 6.6236e-01 -4.5876e-01 1.5224e+00 -2.3092e-01 -9.9151e-01 6.0256e-01 -1.0829e+00 5.9428e-01 5.7411e-01 -1.5864e-02 -4.4177e-01 1.1705e+00 5.4713e-01 1.7240e+00 1.7308e+00 -4.7096e-01 -1.8137e+00 5.2236e-02 -5.8958e-02 -2.9050e-01 2.4127e+00 3.9407e-01 -8.5995e-01 2.8396e-01 6.9056e-01 1.1678e+00 9.3851e-01 1.3280e+00 1.4582e-01 1.0220e+00]",{},"[-0.6664 -0.0466 1.0142 -0.767 0.8388 -0.4247 0.9105 -0.2947 -0.4393 -0.168 -0.101 -0.8532 -0.5099 0.1441 -0.5125 -1.0862 -0.216 -0.2249 -0.3476 0.2402 -0.8912 -0.7373 0.4716 -0.5984 0.4032 -0.2343 -0.493 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0.4052 -1.0665 0.224 -0.1289 0.1851 0.281 0.1726 -0.6479 0.3517 -0.9003 -0.174 0.6538 -0.1663 -0.4302 1.1695 0.5111 -0.3961 -0.2516 0.459 0.2874 -0.4032 -0.8315 0.0483 0.7634 0.0141 0.3128 0.3119 0.1314 0.7195 0.4936 0.4129 -0.6566 0.5866 0.4223 -0.064 -0.1419 -0.2147 0.2777 0.2858 0.561 -0.3323 0.6391 0.5312 -0.1481 0.089 0.2802 0.2923 -1.0492 -0.8362 0.5841 -1.2973 -0.2867 0.2801 -0.8107 -0.8138 0.2118 -0.487 -0.1778 -0.5125 -0.3364 1.2151 -0.9656 0.4885 0.0984 0.1479 0.7179 -0.2568 -0.5006 -0.0354 -0.977 0.1809 0.0611 -0.311 -0.4187 0.6202 0.3994 0.5511 0.2918 -0.6439 -0.4824 -0.0379 0.0417 -0.1473 1.0937 0.629 -0.238 -0.2206 -0.1617 0.231 0.6277 0.6797 -0.4096 1.0149]" [*]Oc1c(F)c(F)c(Oc2c(F)c(F)c3c(c2F)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6c(F)c([*])c(F)c(F)c6C5=O)cc4C(F)(F)F)c(C(F)(F)F)c2)C3=O)c(F)c1F,,O=C(C1=C(F)C(F)=C([*])C(F)=C12)N(C3=CC=C(C4=C(C(F)(F)F)C=C(N5C(C6=C(F)C(OC7=C(F)C(F)=C(O[*])C(F)=C7F)=C(F)C(F)=C6C5=O)=O)C=C4)C(C(F)(F)F)=C3)C2=O,585.15,Qiu,585.15,,1,0.0,black,8,4.0,4,4,2,0.3888888888888888,0.3333333333333333,0.4444444444444444,0.7777777777777777,9.5,8,11,19,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,140.0060694,8,0,19.33333333333333,13.35842818841618,2.0,6,6,0,0,6,0,0,0,0,1.5,6,54,1,1.1647879325671395,0,6,6,7,2,5,93.22,0.2857142857142857,2,25.70957687880332,730.0222681760001,10,42,15.578481147902838,0.0,0.4230769230769231,10,10,0,0,26,4,0,2,6,0.3703703703703703,20,1.3171421081300438,0,6,6,7,2,5,93.22,0.2857142857142857,2,25.70957687880332,865.9970374320002,18,42,15.716652635506144,12.35259703488695,0.45,16,16,0,0,34,4,0,2,6,0.4193548387096774,26,Other class,Other class,"[-0.3088 -0.682 0.4709 -0.9482 0.8311 -0.5092 0.3049 -1.0949 -1.7812 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-1.335 -1.0534 -1.2835 -1.3386 -0.9792 1.2035 0.2943 0.1536 -0.2765 -0.3162 1.0935 0.7923 0.8565 0.2631 -2.2197 0.5775 0.2546 0.6064 2. 2.0144 -0.6915 -0.2162 -1.0029 0.0614 0.7775 -0.0565 -1.2373 -0.1947 -0.8473 0.8621 0.2251 0.5931 0.6794 2.6512 -0.5533 -0.1873 -1.4067 -0.4569 0.0256 -0.4131 -1.6188 -1.32 0.3424 0.526 -0.9756 -1.3426 0.4744 0.9399 1.551 0.6825 -0.5852 0.958 -0.0539 0.3419 0.8678 0.0995 -0.1336 0.2829 0.5258 -0.4927 1.4913 0.5439 -0.6366 0.038 0.6577 1.0534 -1.0202 -0.0118 0.5957 -1.0599 -0.5013 1.323 -1.8493 -1.423 0.0414 -1.0135 -0.1876 -0.3064 -0.3643 2.3287 -1.1903 1.4575 0.276 -0.4139 1.5409 0.1043 -0.3584 0.1819 -1.31 0.4995 0.6883 0.249 0.1225 0.9168 0.063 1.538 1.386 0.0787 -1.7071 0.7427 -0.105 -0.1008 2.2597 0.2308 -0.6541 0.2672 0.4475 0.7647 0.7407 0.8918 0.4765 0.2126]",{},"[-0.4767 -0.154 0.6937 -0.5108 0.6683 -0.2166 0.8824 -0.0394 -0.3565 0.1295 -0.25 -0.7082 -0.4053 0.4636 -0.0589 -0.987 -0.5039 0.1494 -0.4905 0.0111 -0.8178 -0.4712 0.4396 -0.5109 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[*]Oc1c(OC)cc([*])cc1OC,,*Oc1c(OC)cc(*)cc1OC,447.25,GREA,447.25,,1,0.0,black,4,2.0,2,2,2,0.5,0.5,0.5,1.0,3.0,3,3,6,1,2.0,2,2,0,0,0,0,40.46,0.0,0,0.0,64.0524295,4,0,14.0,0.0,3.0,0,0,0,0,2,0,0,0,0,1.0,2,9,1,2.881555877646136,0,1,1,1,0,1,9.23,0.0,0,11.172894463302317,92.02621475,0,7,5.246944444444445,0.0,1.4285714285714286,0,0,0,0,3,0,0,0,6,0.3333333333333333,3,3.247951757903252,0,3,3,1,0,1,27.69,0.0,0,20.64662037090241,152.0473441,2,9,5.441018518518519,0.0,1.2727272727272727,0,0,0,0,7,0,0,0,6,0.3846153846153846,5,Polyoxides,Polyoxides/ethers/acetals,"[-8.1671e-01 1.2176e-01 -1.8257e+00 1.8983e+00 -4.5579e-01 -1.5399e+00 9.3427e-01 -1.1412e+00 -7.2764e-02 2.3051e+00 6.0998e-01 -2.8039e+00 -8.5967e-01 -9.0341e-01 -8.2521e-01 4.7807e-01 1.0541e+00 6.7486e-01 -1.0587e+00 -9.8625e-01 6.6393e-01 -1.4915e+00 1.8695e+00 -6.1013e-01 2.1329e-01 1.2172e+00 1.7895e+00 -2.0496e+00 -4.0221e-01 -1.6814e+00 -1.8963e+00 -1.1975e+00 6.5414e-01 -1.2801e+00 -1.7793e+00 2.8131e-01 1.9567e+00 -2.8934e-01 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[*]Oc1c(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)c2ccccc2c2ccccc12,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Oc1c(*)c2ccccc2c2ccccc12,205.15,GREA,205.15,,1,0.0,black,8,4.0,4,4,2,0.9,0.8,1.0,1.8,3.5,3,4,7,1,5.924234614174766,0,0,2,0,0,0,0.0,0.0,0,0.0,108.0939004,0,8,6.722222222222222,0.0,2.0,0,0,0,0,0,0,0,0,0,0.0,0,33,1,2.8563518630974927,0,7,13,1,0,1,64.61000000000001,0.0,0,9.532532420959956,536.1389628,23,8,6.626244370433359,78.56413624417304,0.5483870967741935,0,0,0,0,27,0,0,0,6,0.4545454545454545,15,1.8203557350550004,0,7,13,3,0,3,64.61000000000001,0.3333333333333333,0,9.532532420959956,636.1702629279999,23,16,6.852579208611978,78.56413624417304,0.4615384615384615,0,0,0,0,27,0,0,1,6,0.3658536585365853,15,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[-4.1574e-02 2.4769e-01 3.1309e-01 -5.1266e-01 -3.3180e-01 3.5241e-01 1.5108e+00 -1.8298e-02 1.3048e-02 -2.2969e-02 7.8850e-01 -1.7988e+00 -2.2533e-01 -3.5726e-01 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[*]Oc1c(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)c2ccccc2c2ccccc12,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Oc1c(*)c2ccccc2c2ccccc12,235.15,GREA,235.15,,1,0.0,black,8,4.0,4,4,2,0.9,0.8,1.0,1.8,3.5,3,4,7,1,5.924234614174766,0,0,2,0,0,0,0.0,0.0,0,0.0,108.0939004,0,8,6.722222222222222,0.0,2.0,0,0,0,0,0,0,0,0,0,0.0,0,29,1,2.839858913647285,0,6,11,1,0,1,55.38000000000001,0.0,0,9.532532420959956,462.1201715,19,8,6.565526738473167,65.47011353681087,0.6296296296296297,0,0,0,0,23,0,0,0,6,0.4482758620689655,13,1.8828781351292447,0,6,11,3,0,3,55.38000000000001,0.3333333333333333,0,9.532532420959956,562.1514716,19,16,6.821212962247189,65.47011353681087,0.5142857142857142,0,0,0,0,23,0,0,1,6,0.3513513513513513,13,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[ 1.9195e-01 -1.0179e-01 2.4318e-01 -6.8019e-01 -3.4904e-01 5.5721e-01 1.4866e+00 -1.7797e-01 -1.2072e-01 -1.7394e-02 7.2569e-01 -1.7599e+00 1.9227e-01 -2.5858e-01 1.3921e-01 -3.6578e-01 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[*]Oc1c(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]([*])(C)C)c2ccccc2c2ccccc12,,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Oc1c(*)c2ccccc2c2ccccc12,238.15,GREA,238.15,,1,0.0,black,8,4.0,4,4,2,0.9,0.8,1.0,1.8,3.5,3,4,7,1,5.924234614174766,0,0,2,0,0,0,0.0,0.0,0,0.0,108.0939004,0,8,6.722222222222222,0.0,2.0,0,0,0,0,0,0,0,0,0,0.0,0,25,1,2.824763311666952,0,5,9,1,0,1,46.150000000000006,0.0,0,9.532532420959956,388.1013801,15,8,6.475349741748552,52.37609082944869,0.7391304347826086,0,0,0,0,19,0,0,0,6,0.44,11,1.968359955,0,5,9,3,0,3,46.150000000000006,0.3333333333333333,0,9.532532420959956,488.1326802,15,16,6.778567058767952,52.37609082944869,0.5806451612903226,0,0,0,0,19,0,0,1,6,0.3333333333333333,11,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[ 0.0978 -0.1309 0.1224 -0.3529 -0.4265 0.2819 1.4091 -0.2377 0.3915 0.286 1.3593 -1.5627 -0.3329 -0.2111 0.4116 -0.2701 -0.3307 0.2475 0.3033 -0.212 1.008 -0.2093 -0.509 0.637 -0.4741 0.3738 0.9153 0.4081 -0.4493 0.7687 -0.2699 0.0214 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[*]Oc1ccc(C(=C(Cl)Cl)c2ccc(OC([*])=O)cc2)cc1,,*Oc1ccc(C(=C(Cl)Cl)c2ccc(OC(*)=O)cc2)cc1,440.15,GREA,440.15,,1,0.0,black,3,3.0,3,3,1,0.4285714285714285,0.4285714285714285,0.4285714285714285,0.4285714285714285,6.0,6,6,6,1,1.6329931618554523,0,0,0,0,0,0,0.0,0.0,0,0.0,83.95335542,3,0,4.763888888888888,0.0,1.3333333333333333,2,0,2,0,2,0,0,0,0,0.6666666666666666,2,19,1,2.035256552684648,0,3,4,2,0,2,35.53,0.0,0,9.843390348640757,226.0629942,1,16,10.93162862801991,6.4208216229260096,1.0,0,0,0,0,7,1,0,0,6,0.2631578947368421,5,2.358350869436641,0,3,4,2,0,2,35.53,0.0,0,9.843390348640757,305.9850495,2,18,11.052645860530198,0.0,0.95,2,0,2,0,9,2,0,0,6,0.3181818181818182,7,Polycarbonates,Polycarbonates/thiocarbonates,"[-0.1662 -0.3263 -1.7873 -1.2042 -0.1721 -0.2634 -0.3161 -0.3699 -0.2415 1.2466 0.8411 0.0901 -0.4204 -1.4754 1.1427 -0.4799 0.7716 -0.0772 -0.0571 -1.1519 1.2363 -0.1912 0.323 0.5634 0.184 0.1772 1.6563 -0.6644 -0.424 -0.3286 -0.3486 0.4637 1.9238 0.4352 -1.2184 -0.402 2.2466 -0.5451 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[*]Oc1ccc(C(=O)c2cccc3cccc(C(=O)c4ccc(Oc5ccc([*])cc5C(C)(C)C)cc4)c23)cc1,,*Oc1ccc(Oc2ccc(C(=O)c3cccc4cccc(C(=O)c5ccc(*)cc5)c34)cc2)cc1C(C)(C)C,503.15,GREA,503.15,,1,0.0,black,4,4.0,4,4,1,1.0,1.0,1.0,1.0,3.0,3,3,3,1,2.3237900077244498,0,0,0,0,0,0,0.0,0.0,0,0.0,58.07825032,4,0,2.1666666666666665,20.771211599071872,1.0,0,0,0,0,3,0,0,0,0,0.0,0,36,1,1.4832891285642045,0,4,7,5,0,5,52.60000000000001,0.2,0,15.909757417102366,442.1205091,0,34,13.60746074,0.0,0.5882352941176471,0,0,0,0,9,2,0,1,6,0.1666666666666666,6,1.476544519,0,4,7,5,0,5,52.60000000000001,0.2,0,15.909757417102366,498.1831093,4,34,13.793042910205608,26.186202068468653,0.7105263157894737,0,0,0,0,13,2,0,1,6,0.15,6,Polyoxides,"Polyoxides/ethers/acetals, Polyketones/thioketones","[ 0.3862 -0.1613 -0.6356 0.6934 -0.2425 1.0567 -0.1205 -0.3044 -0.7424 0.7935 -0.0233 -0.2954 0.2059 -1.2202 -0.0543 -0.0411 0.1372 -0.6975 -0.0094 -1.1328 0.4931 -0.4904 1.4935 0.0466 0.0214 0.6165 0.6891 0.8767 -1.0864 0.1691 0.3356 -0.7586 0.5758 0.2185 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[*]Oc1ccc(C(C)(C)c2ccc(OP3(Oc4ccc(C(=O)OC)cc4)=NP(Oc4ccc(C(=O)OC)cc4)(Oc4ccc(C(=O)OC)cc4)=NP([*])(Oc4ccc(C(=O)OC)cc4)=N3)cc2)cc1,,*Oc1ccc(C(C)(C)c2ccc(OP3(Oc4ccc(C(=O)OC)cc4)=NP(Oc4ccc(C(=O)OC)cc4)(Oc4ccc(C(=O)OC)cc4)=NP(*)(Oc4ccc(C(=O)OC)cc4)=N3)cc2)cc1,346.15,GREA,346.15,,1,0.0,black,44,11.0,11,11,4,3.4375,2.75,5.5,13.75,2.5,1,3,10,1,11.581392143955028,4,12,4,4,0,4,186.12,0.0,0,0.0,608.1893765,4,40,43.28348450491308,0.0,5.454545454545454,0,0,0,0,16,4,0,0,24,1.0909090909090908,12,25,1,1.783898262267841,0,5,5,3,1,2,55.54,0.0,1,9.630274556552523,363.0455366,5,18,5.986810752078609,19.26246486877803,1.0434782608695652,0,0,0,0,12,3,0,0,6,0.4,10,1.452180174,0,17,17,7,1,6,197.66,0.0,1,27.72526320339979,965.1879629,10,57,12.511178376265075,19.26246486877803,0.4029850746268656,0,0,0,0,32,7,0,0,6,0.3188405797101449,22,Polyoxides,"Polyoxides/ethers/acetals, Polyphosphazenes, Polyimines","[-1.3497e+00 5.0167e-01 -1.2862e+00 -4.4455e-01 -1.9347e-01 1.4475e+00 -8.7866e-03 4.5768e-03 -2.8248e-03 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-3.3223e-01 6.7161e-01 -3.6742e-01 1.6904e-01 1.4322e+00 6.4593e-01 7.3734e-02 -3.4818e-01 2.8486e-01 -1.2081e+00 -7.6012e-01 -1.2834e+00 -9.7867e-01 1.9333e-01 2.3167e-01 -1.1436e+00 2.7401e-01 2.1474e-01 1.2178e+00 1.4149e+00 -1.0706e+00 -4.7275e-01 -8.9472e-01 -2.0976e-01 -4.2365e-01 -3.5651e-01 -4.5525e-01 3.1998e-01 -5.4113e-01 2.7394e-01 -8.0350e-01 4.4362e-01 1.3905e+00 -2.7871e-01 9.4434e-01 -8.3336e-01 1.9654e-01 -7.1493e-01 -3.0411e-01 1.3826e+00 -2.8299e-02 -2.7138e-01 -4.3417e-01 -1.6009e-01 -7.6678e-01 -5.8173e-01 -7.0606e-01 6.1886e-01 -1.2956e+00 -1.1570e+00 1.1860e-01 -2.7241e-01 -8.3385e-01 7.9937e-01 1.2273e+00 2.0301e-01 -1.8027e-01 4.9779e-01 5.4072e-01 9.5401e-01 -2.5779e-01 7.7682e-01 -8.1734e-01 -1.0962e-01 1.4411e+00 1.4984e-01 -1.1588e-01 7.5816e-01 1.9791e+00 5.7606e-01 3.8703e-01 -5.9411e-01 1.2670e+00 5.7421e-01 1.7181e+00 6.4593e-01 -4.6365e-01 -8.1331e-01 -8.9143e-02 8.9686e-01 4.1514e-01 1.8354e+00 -2.6924e-01 1.1710e+00 2.8861e-01 -1.4263e+00 6.6499e-01 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2.7970e-01 2.9150e-01 -1.4544e-01 7.2998e-02 -3.5108e-02 1.6288e-01 -1.0064e-01 -8.1428e-01 -2.5733e-01 5.7799e-01 -6.5673e-01 3.1973e-01 1.7104e-01 8.2004e-02 4.7995e-02 2.6200e-01 6.3188e-01 3.1323e-01 1.8744e-03 -7.5718e-01 -6.8439e-01 -5.6572e-01 1.2387e-01 1.5322e-01 -5.2708e-01 -2.3960e-01 2.3404e-01 -9.6435e-03 1.3587e-01 8.0425e-02 -4.1283e-03 -1.1094e-01 5.9439e-01 -8.3659e-01 3.5784e-01 -3.8059e-01 2.3274e-01 -3.3488e-01 -8.8156e-01 5.3052e-01 2.3913e-01 -1.0656e-01 -1.0701e+00 2.4778e-03 -5.4356e-01 -1.5245e-01 -6.4409e-01 5.5262e-01 -3.6727e-01 -1.8596e-01 6.5377e-04 -1.1838e-02 -2.8744e-01 -4.5110e-01 -3.7331e-01 2.1158e-01 -5.2572e-01 -4.5132e-01 4.9520e-01 5.0397e-02 2.3825e-01 9.8126e-02 7.6662e-01 -6.3139e-02 -5.5610e-01 -6.4096e-01 -6.6741e-02 -4.7369e-01 3.9745e-01]" [*]Oc1ccc(C(C)(C)c2ccc(OP3(Oc4ccc(C(=O)OCCC)cc4)=NP(Oc4ccc(C(=O)OCCC)cc4)(Oc4ccc(C(=O)OCCC)cc4)=NP([*])(Oc4ccc(C(=O)OCCC)cc4)=N3)cc2)cc1,,*Oc1ccc(C(C)(C)c2ccc(OP3(Oc4ccc(C(=O)OCCC)cc4)=NP(Oc4ccc(C(=O)OCCC)cc4)(Oc4ccc(C(=O)OCCC)cc4)=NP(*)(Oc4ccc(C(=O)OCCC)cc4)=N3)cc2)cc1,299.15,GREA,299.15,,1,0.0,black,52,13.0,13,13,4,4.0625,3.25,6.5,16.25,2.5,1,3,10,1,10.444685002552536,4,12,12,4,0,4,186.12,0.0,0,0.0,720.314577,12,40,44.84404006046863,53.37823529046653,5.538461538461538,0,0,0,0,24,4,0,0,24,0.9230769230769232,12,25,1,1.783898262267841,0,5,5,3,1,2,55.54,0.0,1,9.630274556552523,363.0455366,5,18,5.986810752078609,19.26246486877803,1.0434782608695652,0,0,0,0,12,3,0,0,6,0.4,10,1.435300936554054,0,17,25,7,1,6,197.66,0.0,1,27.72526320339979,1077.313163,18,57,12.98915326597473,72.64070015924456,0.4,0,0,0,0,40,7,0,0,6,0.2857142857142857,22,Polyoxides,"Polyoxides/ethers/acetals, Polyphosphazenes, Polyimines","[-1.1775 0.282 -0.9981 0.2043 0.0769 2.1589 0.2455 -0.7787 0.3183 0.2385 -0.8619 -0.37 1.6156 -0.1847 0.2528 1.2436 0.7712 0.0828 -0.1436 0.4901 1.0246 -0.2888 1.0056 0.863 -0.4304 1.207 1.8606 0.0645 0.1811 -0.1748 -0.4423 -0.0365 0.867 -0.8697 -0.3858 0.6326 -0.1649 0.455 -0.0173 0.9712 0.7743 -0.5125 0.2935 0.4204 -0.0782 1.0991 -1.2067 -0.7531 -1.1924 0.6587 -1.1039 -0.7431 0.3058 0.7458 2.0722 -0.6595 -0.6069 0.2365 0.0432 0.3029 -0.792 0.4638 0.2921 -0.7677 1.392 1.3588 1.2079 -1.5134 -0.4876 0.5895 -1.9973 -0.9555 0.6725 1.4273 1.157 1.4229 0.4327 -0.0477 -0.609 0.0935 0.3988 -0.973 0.7951 0.3297 0.4492 1.6264 1.0462 0.1375 -0.917 0.6665 0.9371 0.5532 -1.1649 -1.2013 -0.5675 -0.0419 -0.8559 0.8773 -0.5372 0.5089 0.932 0.2664 0.0557 0.1166 0.2216 -1.25 -0.4142 -1.3133 -1.174 -0.0386 0.8027 -0.3392 0.0396 0.8218 1.8178 1.0379 -1.5243 -0.7415 -0.9348 -0.6561 -0.1225 -0.2546 -0.3752 0.6357 -0.042 0.0079 -0.5716 0.6756 0.9094 -0.2135 0.5255 -0.5519 0.589 -0.9332 -0.9886 1.3298 -0.2311 -0.1053 -0.4045 0.0652 -0.4514 -0.4643 -0.8434 0.961 -1.6899 -1.4416 -0.023 -1.1502 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0.1611 0.1547 -0.0218 0.1613 -0.3426 -0.3559 0.299 0.5245 0.1391 0.4721 0.0272 0.198 0.4151 0.2148 0.2522 -0.103 0.0129 0.2922 -0.0884 0.023 -1.1567 0.4921 -0.2057 0.1174 -0.4946 0.5069 0.0415 -0.1714 -0.6148 0.2338 0.5751 -0.2837 -0.2342 -0.3424 0.5269 -0.9387 1.0967 0.5064 0.0506 -0.822 -0.2093 0.2857 -0.3786 -0.1512 0.0845 0.0979 0.3981 0.4135 -0.2179 0.1399 0.127 0.2737 0.6596 -0.7285 0.167 0.2217 -0.0798 0.8139 0.7994 0.6496 -0.2959 0.6596 0.0668 -0.2012 0.149 0.27 0.2119 -0.4172 -0.1621 0.1802 -0.646 0.8787 0.5051 -0.6464 0.045 -0.1336 -0.0567 -0.0973 -0.3263 -0.9636 -0.0806 -0.2966 0.673 -0.7045 -0.2542 0.539 1.213 0.6438 -0.4974 0.1401 -0.3541 -0.7197 0.5595 -0.0327 -0.0749 0.0688 0.2938 -0.0793 -0.1579 0.2604 0.4601 -0.1178 -0.4187 -0.2258 0.3902 -0.4808 -0.4824 0.4793 0.275 0.0854 0.2829 -0.5701 -0.4638 0.5578 -0.0351 0.6555 -0.5955 -1.1223 0.1141 -0.2531 0.0215 -0.2797 0.9851 -0.0954 -0.2418 0.2234 0.2267 0.6076 -0.1255 -0.0706 0.4703 0.9534 1.1705 -0.5163 -0.4206 0.3654 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[*]Oc1ccc(C(c2ccc(OC(=O)c3ccc(C(c4ccc(C([*])=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,*Oc1ccc(C(c2ccc(OC(=O)c3ccc(C(c4ccc(C(*)=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,408.15,GREA,408.15,,1,0.0,black,16,4.0,4,4,4,0.5714285714285714,0.5714285714285714,0.5714285714285714,2.2857142857142856,6.0,6,6,24,1,9.295160031,0,0,0,0,0,0,0.0,0.0,0,0.0,280.0121388,16,0,38.66666666666666,26.71685637683236,4.0,12,12,0,0,12,0,0,0,0,3.0,12,34,1,1.329687120686021,0,4,8,4,0,4,52.6,0.0,0,9.843390348640757,420.1361591,2,30,12.566354854113102,12.84164324585202,0.59375,0,0,0,0,11,2,0,0,6,0.1764705882352941,6,1.6997750116675872,0,4,8,4,0,4,52.6,0.0,0,9.843390348640757,692.0856976319999,18,30,14.444607747652473,35.53517500856746,0.4583333333333333,12,12,0,0,27,2,0,0,6,0.36,18,Polyesters,Polyesters/thioesters,"[-6.6521e-01 2.7691e-01 -2.3274e-01 -1.6296e-02 6.1443e-01 1.0249e+00 -9.4749e-02 -6.4298e-01 -9.0238e-01 -6.8733e-01 -1.3575e+00 -2.2246e-01 -2.9258e-01 -4.0034e-01 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[*]Oc1ccc(C(c2ccc(OC([*])=O)cc2)(C(F)(F)Cl)C(F)(F)Cl)cc1,,*Oc1ccc(C(c2ccc(OC(*)=O)cc2)(C(F)(F)Cl)C(F)(F)Cl)cc1,456.65,GREA,456.65,,1,0.0,black,8,4.0,4,4,2,0.5714285714285714,0.5714285714285714,0.5714285714285714,1.1428571428571428,6.0,6,6,12,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,171.9469683,8,0,20.19753086419753,11.769253133807045,3.0,6,4,2,0,6,0,0,0,0,1.5,6,19,1,2.035256552684648,0,3,4,2,0,2,35.53,0.0,0,9.843390348640757,226.0629942,1,16,10.93162862801991,6.4208216229260096,1.0,0,0,0,0,7,1,0,0,6,0.2631578947368421,5,2.733402584731827,0,3,6,2,0,2,35.53,0.0,0,9.843390348640757,393.9786624,9,16,14.509100109179474,16.178412449674592,0.88,6,4,2,0,15,1,0,0,6,0.4074074074074074,11,Polycarbonates,Polycarbonates/thiocarbonates,"[-0.2188 -0.2388 -1.0069 -0.8331 0.2742 0.2212 0.2961 -0.4835 -0.5913 0.6219 0.0082 0.616 -0.571 -0.8033 0.0911 -1.4092 0.5308 0.1111 -0.3888 -0.9543 1.035 0.1877 0.3794 0.5947 -0.2354 0.0826 0.9482 -1.0591 -0.9088 0.0339 0.5642 0.5121 1.0951 -0.3201 -0.4538 -0.8723 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0.2993 -0.4806 0.7388 0.6996 -0.9282 1.0652 0.8847 0.5375 -1.108 0.2827 -0.5362 -1.8302 -0.0821 -0.2786 0.2508 -1.6157 -0.6587 1.0291 -0.2463 -1.2779 0.3302 -0.4326 0.1667 1.0914 -0.5257 0.9653 -0.0916 0.8988 0.1036 0.0922 -0.8351 -0.8185 -1.442 0.2391 1.1883 0.8286 0.2905 0.5 0.8978 1.3351 -0.3346 -0.2241 -0.1218 -0.5185 -0.0934 0.412 -0.8762 -0.06 -1.0123 -0.1863 0.3537 0.5951 0.1352 1.4003 1.2362 0.0872 0.0235 -0.6396 0.523 0.9003 0.2037 -0.2352 -0.7034 -0.0489 0.8235 0.2367 0.9817 -0.626 0.3356 0.7282 1.0293 1.1982 -1.6003 0.8849 0.6919 0.6824 0.3366 -1.2412 -0.8132 -0.0582 0.4801 -0.0698 -0.3226 0.2145 0.0357 -0.5691]","{C(=O)>}","[ 0.299 0.4133 -0.5287 -0.8164 0.2846 0.1325 0.3702 -0.1526 0.1828 0.3195 -0.3412 0.3255 0.055 0.2154 0.1367 -0.4485 -0.0492 0.4125 -0.1045 -0.4243 0.6817 0.5654 0.3479 0.4384 -0.284 -0.0178 0.3118 -0.7529 -0.2496 0.1267 0.1567 0.4147 0.1907 -0.0413 -0.0361 -0.6628 0.3159 -0.1313 -0.5971 -0.1362 0.3663 -0.491 -0.3361 0.0822 -0.0053 -0.2678 0.3092 0.3371 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4.0081e-01 1.1748e-02 1.3518e-01 -8.6378e-02 3.0586e-01 8.7537e-02 5.1733e-02 -1.0500e-01 3.4204e-01 1.7818e-02 -2.1168e-01 8.6389e-02 -6.0208e-01 -5.9266e-01 -2.4758e-01 -1.6122e-01 6.8656e-01 1.1921e-01 5.5000e-01 2.3854e-01 8.3761e-01 1.0527e-01 -1.8519e-01 5.0580e-02 -5.4389e-01 1.6137e-01 -3.0696e-01 3.9382e-02 -7.3700e-02 3.3682e-01 9.2103e-01 -3.2134e-01 1.4667e-01 -2.5270e-01 4.3858e-02 1.1347e-02 -2.4412e-01 2.2474e-01 -9.6009e-02 4.4505e-01 1.0390e-01 -1.2383e-01 -2.7783e-01 -3.7590e-01 -7.9573e-01 -8.6802e-02 2.3033e-01 -6.4109e-01 2.6046e-01 6.9082e-02 -7.4383e-02 -3.2531e-01]" 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[*]Oc1ccc(C(c2ccc(OC([*])=O)cc2)C2C3CCC(C3)C2c2ccccc2)cc1,,*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C2C3CCC(C3)C2c2ccccc2)cc1,469.15,GREA,469.15,,1,0.0,black,13,13.0,13,13,1,1.8571428571428568,1.8571428571428568,1.8571428571428568,1.8571428571428568,6.0,6,6,6,1,1.8744549162460589,0,0,1,3,2,1,0.0,0.3333333333333333,0,0.0,172.1252005,7,6,2.3108796296296297,31.60119253786543,0.9230769230769232,0,0,0,0,9,0,0,1,6,0.0,0,19,1,2.035256552684648,0,3,4,2,0,2,35.53,0.0,0,9.843390348640757,226.0629942,1,16,10.93162862801991,6.4208216229260096,1.0,0,0,0,0,7,1,0,0,6,0.2631578947368421,5,1.5766285095667238,0,3,6,5,2,3,35.53,0.2,0,9.843390348640757,396.1725446,8,22,11.491663848178376,31.09827696110081,0.8666666666666667,0,0,0,0,17,1,0,1,6,0.15625,5,Polycarbonates,Polycarbonates/thiocarbonates,"[ 5.2707e-01 5.6538e-01 -1.3799e+00 6.3744e-01 1.1465e+00 -2.7324e-01 1.5056e-01 -5.6647e-01 -4.6085e-01 8.3728e-01 6.3435e-01 3.9406e-01 3.3549e-01 -4.5138e-01 8.0597e-01 1.4973e-01 7.7329e-01 -2.5962e-01 3.8482e-01 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[*]Oc1ccc(C(c2ccc(OC3=C(Cl)C(=O)N(c4ccc(Oc5ccc(N6C(=O)C([*])=C(Cl)C6=O)cc5)cc4)C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,*c1ccc(Oc2ccc(N3C(=O)C(Cl)=C(Oc4ccc(C(c5ccc(OC6=C(Cl)C(=O)N(*)C6=O)cc5)(C(F)(F)F)C(F)(F)F)cc4)C3=O)cc2)cc1,466.15,GREA,466.15,,1,0.0,black,8,4.0,4,4,2,0.5714285714285714,0.5714285714285714,0.5714285714285714,1.1428571428571428,6.0,6,6,12,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,140.0060694,8,0,19.33333333333333,13.35842818841618,2.0,6,6,0,0,6,0,0,0,0,1.5,6,46,1,1.0838998908440178,0,7,9,6,2,4,102.45,0.0,2,24.38007276414176,624.0491062760001,3,41,13.236690048389356,6.4208216229260096,0.5454545454545454,2,0,2,0,21,6,0,0,6,0.2826086956521739,13,1.1758167661690604,0,7,9,6,2,4,102.45,0.0,2,24.38007276414176,760.0238755,11,41,14.533759321623922,17.76758750428373,0.5192307692307693,8,6,2,0,29,6,0,0,6,0.3518518518518518,19,Polyimides,"Polyimides/thioimides, Polyoxides/ethers/acetals","[-5.3067e-01 -7.9228e-01 -1.0189e+00 -1.5352e+00 -3.1484e-01 8.2485e-01 -7.8478e-01 -1.9772e-01 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[*]Oc1ccc(OC(=O)c2ccc(-c3ccc(C([*])=O)cc3)cc2-c2ccccc2)cc1-c1ccccc1,,*Oc1ccc(OC(=O)c2ccc(-c3ccc(C(*)=O)cc3)cc2-c2ccccc2)cc1-c1ccccc1,421.15,GREA,421.15,,1,0.0,black,12,6.0,6,6,2,1.0833333333333333,0.6666666666666666,1.5,2.1666666666666665,5.5,3,8,11,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,26,1,1.7126076664802616,0,4,5,3,0,3,52.6,0.0,0,9.843390348640757,316.0735589,0,24,12.264306648087764,0.0,0.7083333333333334,0,0,0,0,8,2,0,0,6,0.2307692307692307,6,1.511817598350654,0,4,7,5,0,5,52.6,0.0,0,9.843390348640757,468.1361591,0,36,13.506267311982953,0.0,0.6111111111111112,0,0,0,0,10,2,0,0,6,0.1578947368421052,6,Polyesters,Polyesters/thioesters,"[ 1.5092e-01 5.0788e-01 -9.4369e-01 7.1434e-01 2.6039e-01 1.9318e-02 2.7841e-01 -5.5645e-02 -6.2700e-01 5.9942e-01 2.8683e-01 5.3510e-01 8.3391e-01 -3.6733e-01 5.4304e-01 -8.9660e-03 5.7354e-01 -4.4972e-01 1.2099e-01 -8.6922e-01 5.2642e-01 -1.2976e+00 1.2607e+00 4.4760e-01 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[*]Oc1ccc(OC(=O)c2ccc(OCCCCCCCCCCOc3ccc(C([*])=O)cc3)cc2)c(S(=O)(=O)c2ccccc2)c1,,*Oc1ccc(OC(=O)c2ccc(OCCCCCCCCCCOc3ccc(C(*)=O)cc3)cc2)cc1S(=O)(=O)c1ccccc1,361.15,GREA,361.15,,1,0.0,black,9,9.0,9,9,1,1.8,1.8,1.8,1.8,4.0,4,4,4,1,3.126472681877308,1,2,1,1,0,1,34.14,0.0,0,0.0,142.0088504,1,8,10.237962962962964,4.895483475517775,1.0,0,0,0,0,1,2,0,0,6,0.3333333333333333,3,38,1,1.1690961081491773,0,6,17,3,0,3,71.06,0.0,0,19.31711625624085,488.2198887,10,26,12.33093089458062,51.36657298340809,0.5555555555555556,0,0,0,0,20,2,0,0,6,0.2105263157894736,8,1.1190064705132072,0,8,19,4,0,4,105.2,0.0,0,19.31711625624085,628.2130891119999,11,34,13.342317020754106,61.15753993444365,0.6222222222222222,0,0,0,0,22,4,0,0,6,0.2340425531914893,11,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters","[-5.2299e-01 -2.8907e-01 -1.7473e+00 3.7812e-01 -7.6589e-01 1.1620e-01 -1.1438e-01 -3.5383e-01 -7.4065e-01 2.4829e-01 9.8300e-01 -5.4485e-01 1.5613e-01 -1.2069e+00 2.0330e-02 6.3299e-01 1.5430e+00 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[*]Oc1ccc(Oc2cccc3c2C(=O)N(c2cccc(N4C(=O)c5cccc([*])c5C4=O)c2)C3=O)cc1,,*c1cccc(N2C(=O)c3cccc(Oc4ccc(Oc5cccc6c5C(=O)N(*)C6=O)cc4)c3C2=O)c1,532.15,GREA,532.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,38,1,1.3403534170838012,0,6,5,6,2,4,93.22,0.3333333333333333,2,25.70957687880332,474.0851862,0,36,13.57765120021072,0.0,0.6111111111111112,0,0,0,0,15,4,0,2,6,0.2631578947368421,10,1.3403534170838012,0,6,5,6,2,4,93.22,0.3333333333333333,2,25.70957687880332,474.0851862,0,36,13.57765120021072,0.0,0.6111111111111112,0,0,0,0,15,4,0,2,6,0.2631578947368421,10,Polyimides,"Polyimides/thioimides, Polyoxides/ethers/acetals","[ 0.5012 -1.3067 -1.3141 -0.1173 -0.8941 -1.5927 0.6941 0.1567 -0.5169 0.4835 1.2034 -1.0494 -0.7232 -0.1387 1.0342 -0.0401 -0.4215 -1.0027 -0.9453 -0.2522 -0.5456 -0.7009 1.8661 0.6687 0.398 0.1415 0.1308 0.1401 -1.1661 -0.707 0.0624 -0.1226 0.3638 -0.2242 -2.1888 -0.7394 0.6747 -0.2721 -1.7865 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[*]Oc1ccc(S(=O)(=O)c2ccc(OC(=O)OC3CC4CC(OC([*])=O)CC(C3)O4)cc2)cc1,,*OC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)OC3CC4CC(*)CC(C3)O4)cc2)cc1,457.15,GREA,457.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,34,1,1.3217892158983695,0,9,6,4,2,2,114.43000000000002,0.25,2,9.843390348640757,460.0828032199999,10,22,12.813605144585487,59.89011899,0.84375,0,0,0,0,21,4,0,1,6,0.3529411764705882,12,1.3217892158983695,0,9,6,4,2,2,114.43000000000002,0.25,2,9.843390348640757,460.0828032199999,10,22,12.813605144585487,59.89011899,0.84375,0,0,0,0,21,4,0,1,6,0.3529411764705882,12,Polyoxides,"Polyoxides/ethers/acetals, Polycarbonates/thiocarbonates, Polysulfones/sulfoxides/sufonates/sulfoamides","[-8.4631e-01 -8.0093e-02 -2.2544e+00 3.9136e-01 -7.0380e-01 -2.8754e-01 9.1179e-02 -3.1204e-01 -2.6464e-01 9.1919e-01 7.0445e-01 -8.3118e-02 4.0168e-01 -6.1820e-01 1.7980e-01 2.1463e-01 1.9529e+00 -9.1454e-01 -5.4602e-01 -1.8851e-01 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[*]Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(C([*])=O)cc4)cc3)cc2)cc1,,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,523.15,GREA,523.15,,1,0.0,black,12,6.0,6,6,2,0.8571428571428571,0.8571428571428571,0.8571428571428571,1.7142857142857142,6.0,6,6,12,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,36,1,1.3963724436092306,0,6,8,4,0,4,86.74000000000001,0.0,0,20.21684164001568,486.0593358,2,32,12.855865940581229,9.790966951,0.6764705882352942,0,0,0,0,11,4,0,0,6,0.2777777777777778,10,1.3182823314433345,0,6,10,6,0,6,86.74000000000001,0.0,0,30.59029293,638.1219361,2,44,13.28813422175624,9.790966951,0.5217391304347826,0,0,0,0,13,4,0,0,6,0.2083333333333333,10,Polyesters,"Polyesters/thioesters, Polysiloxanes/silanes, Polysulfones/sulfoxides/sufonates/sulfoamides","[-0.9805 0.108 -1.5079 0.2811 0.3681 1.2746 0.5024 -0.2855 -0.6937 0.2166 -0.005 0.3648 0.3736 -0.7903 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[*]Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cccc(C([*])=O)c3)cc2)cc1,,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,522.15,GREA,522.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,29,1,1.77939988,0,6,6,3,0,3,86.74000000000001,0.0,0,9.843390348640757,380.0354591,1,26,12.73076057927942,9.790966951,0.8148148148148148,0,0,0,0,9,4,0,0,6,0.3103448275862069,9,1.77939988,0,6,6,3,0,3,86.74000000000001,0.0,0,9.843390348640757,380.0354591,1,26,12.73076057927942,9.790966951,0.8148148148148148,0,0,0,0,9,4,0,0,6,0.3103448275862069,9,Polyesters,"Polyesters/thioesters, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.6522e+00 -3.3131e-01 -2.4232e+00 3.3537e-01 -6.4610e-01 3.4024e-01 1.0238e+00 -3.1097e-01 -9.8128e-01 4.1340e-01 1.9066e+00 4.5049e-01 -6.1013e-02 -1.8179e+00 2.5928e-01 2.4165e-01 1.9847e+00 -7.5812e-02 -1.1565e+00 -1.0043e+00 6.6753e-01 -5.9824e-01 2.2166e+00 9.6769e-01 2.9129e-02 -5.0572e-01 1.2953e+00 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[*]Oc1ccc(S(=O)(=O)c2ccc(OP([*])(=O)OC3CCCCC3)cc2)cc1,,*OP(=O)(Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1)OC1CCCCC1,393.15,GREA,393.15,,1,0.0,black,7,7.0,7,7,1,3.5,3.5,3.5,3.5,1.0,1,1,1,1,2.1229179499593664,1,1,0,1,1,0,20.23,0.0,0,0.0,100.088815,7,0,8.909166666666668,38.20807450237835,1.0,0,0,0,0,7,0,0,0,6,0.1428571428571428,1,21,1,2.3163669031678293,0,5,5,2,0,2,69.67000000000002,0.0,0,9.630274556552523,295.990831,2,17,12.45790343915344,9.790966951,0.9473684210526316,0,0,0,0,7,3,0,0,6,0.4285714285714285,9,1.701408888774435,0,6,7,3,1,2,78.90000000000002,0.0,0,9.630274556552523,394.063996,9,17,12.759503127896558,47.99904145341391,0.9230769230769232,0,0,0,0,15,3,0,0,6,0.3571428571428571,10,Polyoxides,"Polyoxides/ethers/acetals, Polysulfones/sulfoxides/sufonates/sulfoamides","[-1.2065 0.2056 -2.0993 0.4779 -0.3307 0.7979 0.8541 0.3774 -0.4793 1.3148 1.8814 -0.2588 -0.0207 -0.2884 0.5496 0.4826 2.4935 -0.1437 -0.7446 -0.5837 0.1005 0.1133 1.8617 1.3718 -0.6262 0.573 1.6149 -0.0753 -0.4458 -0.024 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[*]Oc1ccc(Sc2cccc(Oc3cccc4c3C(=O)N(c3ccc(Oc5cccc(Oc6ccc(N7C(=O)c8cccc([*])c8C7=O)cc6)c5)cc3)C4=O)c2)cc1,,O=C(N1C2=CC=C(OC3=CC=CC(OC4=CC=C(N5C(C6=CC=CC(OC7=CC=C(SC8=CC=CC(O[*])=C8)C=C7)=C6C5=O)=O)C=C4)=C3)C=C2)C9=C([*])C=CC=C9C1=O,503.15,Qiu,503.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,59,1,0.8519038056802826,0,9,11,9,2,7,111.68,0.2222222222222222,2,35.183302786403424,766.1409867920001,1,56,13.855731571013209,9.790966951,0.4385964912280701,0,0,0,0,21,4,0,2,6,0.2203389830508474,13,0.8519038056802826,0,9,11,9,2,7,111.68,0.2222222222222222,2,35.183302786403424,766.1409867920001,1,56,13.855731571013209,9.790966951,0.4385964912280701,0,0,0,0,21,4,0,2,6,0.2203389830508474,13,Other class,Other class,"[-4.5844e-01 -8.8858e-01 -1.6268e+00 -1.9952e-01 -6.6442e-01 -6.4402e-01 8.4887e-01 -1.4718e-01 -4.7581e-01 7.9294e-01 1.1459e+00 -7.0871e-01 -2.6479e-01 -2.5542e-01 5.2434e-01 -3.3936e-01 4.1329e-01 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0.4205 0.132 0.0615 -0.0872 -0.008 0.1565 0.0033 -0.1194 -0.2347 0.3754 0.3807 -0.2787 -0.429 -0.3772 0.0638 -0.2464 -0.9424 0.3137 -0.2281 0.4562 -0.2425 -0.3524 0.637 0.037 -0.1801 0.4242 -0.0188 -0.1165 -0.5487 0.2688 -0.6205 0.36 0.0903 -0.2442 0.2641 0.1156 -0.0207 -0.0484 -0.1803 0.8666 0.2132 0.0979 -0.6994 0.5039 0.0749 0.0844 0.0158 -0.614 -0.401 0.1214 0.3343 0.4727 0.6666 0.2203 -0.5039 -0.113 -1.0159 -0.2104 0.2091 0.2024 -0.153 0.5457 -0.063 0.4689 -0.0421 0.2112 -0.1272 -0.3149 0.1344 0.2364 0.2681 0.0474 -0.0162 -0.3654 0.4487 -0.1301 -0.3691 0.0758 -0.172 0.1258 -0.3578 -0.1587 0.4834 -0.5081 -0.4509 0.6442 -0.0739 0.2514 -0.2375 0.1132 0.1326 0.0161 0.4277 -0.2582 0.1524 0.2335 0.0182 0.24 -0.173 -0.4234 0.1993 0.5636 0.085 0.0477 -0.4596 -0.0821 0.2476 -0.0099 -0.0362 -0.1587 0.0596 0.1248 0.08 -0.2234 0.0728 -0.5504 -0.3363 -0.1214 -0.5576 -0.1112 -0.0356 -0.4402 -0.0046 -0.5006 -0.144 0.1228 -0.1942 0.3462 -0.0916 0.119 -0.3662 -0.1309 0.17 0.1246 -0.2373 -0.569 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[*]Oc1cccc(C([*])=O)c1,,*Oc1cccc(C(*)=O)c1,435.15,GREA,435.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,11,1,3.0058892189147386,0,2,2,1,0,1,26.3,0.0,0,5.106527394840706,120.0211294,0,9,10.989486016628874,0.0,1.7777777777777777,0,0,0,0,4,1,0,0,6,0.3636363636363636,4,3.0058892189147386,0,2,2,1,0,1,26.3,0.0,0,5.106527394840706,120.0211294,0,9,10.989486016628874,0.0,1.7777777777777777,0,0,0,0,4,1,0,0,6,0.3636363636363636,4,Polyesters,Polyesters/thioesters,"[ 0.3547 0.1871 -2.6989 -0.0656 0.5036 -3.4446 0.6497 -0.806 0.0454 1.7978 0.0827 -0.6691 0.0685 -0.7028 -0.0464 0.4943 0.8422 1.0532 -2.3036 -2.2608 0.1597 0.6861 2.3818 -1.0567 0.8605 -0.0689 0.6343 -2.187 0.0505 -0.8528 -0.4438 -1.1817 1.0077 -0.3107 -1.8354 -1.4581 1.4668 -1.9037 0.234 0.9357 0.0865 0.1064 -1.1015 -0.7661 0.3812 1.7071 0.5408 -1.6958 -0.1276 0.8483 -0.508 -0.7958 -0.2618 1.4916 0.1246 -0.2016 1.5998 0.1765 -1.4239 2.8432 -0.4324 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[*]Oc1cccc(Oc2ccc3c4c2cccc4c(=O)n2c4ccc(-c5ccc6nc7c8cccc9c([*])ccc(c(=O)n7c6c5)c98)cc4nc32)c1,,*Oc1cccc(Oc2ccc3c(=O)n4c5cc(-c6ccc7c(c6)nc6c8ccc(*)c9cccc(c(=O)n76)c98)ccc5nc4c4cccc2c34)c1,669.65,GREA,669.65,,1,0.0,black,3,3.0,3,3,1,1.0,1.0,1.0,1.0,2.0,2,2,2,1,2.449489742783178,0,0,0,0,0,0,0.0,0.0,0,0.0,41.03912516,0,3,3.25,0.0,1.3333333333333333,0,0,0,0,0,0,0,0,0,0.0,0,49,1,1.137851738164268,0,8,4,10,0,10,87.2,0.7,4,27.02829120720638,607.1406301,0,47,14.09931502148293,0.0,0.6170212765957447,0,0,0,0,6,2,0,7,6,0.2040816326530612,10,1.087952905906472,0,8,4,11,0,11,87.2,0.7272727272727273,4,27.02829120720638,644.1484551,0,50,14.170032565856037,0.0,0.54,0,0,0,0,6,2,0,8,6,0.1923076923076923,10,Polyoxides,"Polyoxides/ethers/acetals, Polyamides/thioamides, Polyimines","[-0.2444 -0.6379 -0.4297 0.6072 -0.3532 -0.6075 1.4413 0.3848 -1.3734 1.6843 1.5186 1.309 -0.4109 -0.226 0.6776 -0.3928 -0.0534 0.3149 -0.5848 -0.7149 -0.761 0.4852 1.1435 -0.0743 0.6738 0.0507 1.3706 0.4688 0.2956 -0.9427 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7.0629e-01 3.1355e-01 3.3984e-01 2.6525e-01 -5.0515e-01 1.2208e-01 3.5631e-01 4.3743e-01 1.0029e-01 -4.1620e-01 7.2578e-01 2.6624e-01 -6.7456e-01 1.4597e+00 4.9300e-01 1.7132e-01 3.0748e-01 2.8518e-01 1.9203e-01 6.1848e-01 7.1473e-01 -1.4760e-02 -1.0247e+00 8.6161e-01 9.3468e-01 3.6162e-01 5.6161e-01 8.3941e-01 -1.1101e+00 -4.3743e-01 -9.0740e-01 -2.5788e-01 9.8274e-01 1.0553e+00 6.8569e-01 -5.4503e-01]" [*][Si]([*])(C)CCC(F)(F)F,,*[Si](*)(C)CCC(F)(F)F,270.15,GREA,270.15,,1,0.0,black,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,3.168489872670569,0,0,0,0,0,0,0.0,0.0,0,0.0,98.03433482,6,0,10.78472222222222,19.520857340060108,1.3333333333333333,3,3,0,0,5,0,0,0,0,0.5,3,4,1,2.3237900077244498,0,0,0,0,0,0,0.0,0.0,0,0.0,44.00822666,2,0,2.5277777777777777,6.547011353681087,3.0,0,0,0,0,3,0,0,0,0,0.75,3,3.563001750182873,0,0,2,0,0,0,0.0,0.0,0,0.0,140.0269114,8,0,11.66375,25.188227270967044,1.625,3,3,0,0,9,0,0,0,0,0.6,6,Polysiloxanes,Polysiloxanes/silanes,"[-5.7174e-01 9.8818e-02 3.5579e-01 4.1636e-01 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[*][Si]([*])(C)CCCOCC1COC(C)(C)O1,,*[Si](*)(C)CCCOCC1COC(C)(C)O1,225.15,GREA,225.15,,1,0.0,black,12,12.0,12,12,1,6.0,6.0,6.0,6.0,1.0,1,1,1,1,2.1117132104620406,0,3,4,1,1,0,27.69,0.0,1,0.0,174.1255944,12,0,5.548112244897959,39.08311076231678,1.5,0,0,0,0,12,0,0,0,5,0.25,3,4,1,2.3237900077244498,0,0,0,0,0,0,0.0,0.0,0,0.0,44.00822666,2,0,2.5277777777777777,6.547011353681087,3.0,0,0,0,0,3,0,0,0,0,0.75,3,2.004341751,0,3,6,1,1,0,27.69,0.0,1,0.0,216.118171,14,0,5.682400045666414,44.75048069322371,1.6428571428571428,0,0,0,0,16,0,0,0,5,0.375,6,Polysiloxanes,Polysiloxanes/silanes,"[ 2.1208e-01 5.0816e-01 5.7877e-01 8.0409e-01 -1.2252e+00 -3.6825e-01 1.3233e-01 -2.4588e-01 3.9003e-01 3.0851e-01 7.5774e-02 -2.1511e+00 9.2424e-02 9.4433e-01 -2.5583e-01 5.5927e-01 -1.3875e-01 9.7427e-01 -3.7484e-01 -1.3010e+00 7.8014e-01 -9.0768e-01 -4.2539e-01 1.9866e-01 -1.3567e+00 4.8023e-01 6.3051e-01 -1.5813e-01 2.3979e-01 4.5539e-01 2.7573e-02 6.2216e-01 2.5587e-01 3.2834e-01 -8.0381e-01 -1.4021e-01 2.5018e-01 3.5960e-01 4.0256e-01 6.9887e-01 2.0696e-01 -1.9226e-01 5.5289e-01 2.3627e-01 -8.7340e-01 8.0881e-01 4.6601e-01 -3.1909e-01 7.9609e-01 -3.6359e-01 -4.8833e-01 1.2417e+00 4.9428e-01 8.7148e-02 1.1630e+00 -3.0946e-01 5.6703e-01 -5.7033e-02 -1.0873e+00 2.4905e+00 -8.8121e-01 -1.5771e-01 3.0303e-01 8.0143e-01 -6.9229e-01 1.0710e-01 1.4077e+00 -3.6796e-01 1.7806e+00 4.4932e-02 4.6768e-01 -8.9973e-01 7.8697e-01 -2.0926e-01 8.6579e-02 5.1069e-01 -3.8113e-01 7.9663e-02 -7.0872e-01 6.8440e-01 -6.2318e-01 3.3188e-03 -5.4393e-01 1.1341e+00 -1.6379e-01 7.8600e-02 8.5779e-01 -1.1825e-01 -1.2032e+00 -1.4627e+00 -8.4138e-01 -9.4025e-01 -8.5260e-01 -1.1751e-01 7.6780e-01 -6.2873e-01 -8.6975e-01 1.5980e-01 -2.6120e-01 -3.3145e-01 -3.1981e-01 9.9237e-01 -1.7183e-01 -2.0224e+00 5.9498e-01 -3.9826e-01 7.0081e-02 4.3611e-01 -9.7573e-01 8.4913e-01 1.2391e-01 1.2064e+00 1.1769e+00 5.9814e-01 1.1875e+00 8.5348e-01 -3.0074e-01 -3.5794e-01 -9.7485e-02 5.7295e-01 -9.8168e-01 -1.5568e-01 -4.8612e-01 3.6447e-01 1.4341e-01 -7.8882e-01 9.6475e-01 -3.1734e-01 -1.9101e-01 -5.3728e-01 1.4500e-01 -6.9063e-01 -3.9417e-01 -7.7988e-02 -2.0689e-01 -5.1200e-02 -5.0187e-01 8.7050e-01 -5.9957e-01 1.0847e+00 -6.5885e-01 2.9991e-01 -6.3205e-01 6.4555e-01 -1.3730e-01 2.1901e-01 1.1855e-01 -9.0427e-01 -1.7475e-01 -9.4774e-01 -4.5314e-01 -8.6447e-01 -4.6793e-01 -1.4528e+00 5.2029e-01 5.2192e-02 1.3757e+00 1.1831e+00 1.1074e+00 4.4768e-01 -4.0797e-02 -7.1246e-01 -3.9430e-01 -1.0343e-02 -3.0837e-01 1.0218e-01 1.8022e+00 -1.2125e+00 2.6913e-01 7.3812e-01 1.1441e+00 -1.0297e+00 9.3285e-01 8.2471e-01 -1.3890e-01 -3.5214e-01 -1.5512e-01 -1.1618e-01 -1.2667e+00 -6.5353e-01 1.0398e+00 -1.7150e-01 3.0797e-01 -2.9699e-01 -1.1014e+00 1.1429e+00 5.8812e-02 1.0295e+00 -1.0551e-01 3.4186e-01 -5.2117e-01 1.0731e+00 2.9529e-01 -1.3913e+00 -9.3259e-01 -4.1320e-01 -2.8553e-02 2.4129e-01 -9.1546e-01 -1.2777e-01 7.6182e-01 -1.0823e+00 -6.2354e-01 -7.5413e-01 5.0259e-01 -1.5957e+00 7.1479e-01 -1.2480e-01 -8.3346e-01 2.8172e-01 5.7571e-01 -1.3341e+00 -1.3698e-01 7.9815e-01 -3.9112e-01 -8.8172e-02 1.3333e+00 -3.7829e-01 -4.3614e-02 1.9207e+00 -3.0774e-01 -3.3894e-01 9.4041e-01 2.6514e-01 1.3774e-01 -3.0968e-01 1.2964e-01 4.8109e-01 2.1759e-01 -4.5260e-01 6.3894e-01 5.4058e-01 -1.2642e-01 -6.6697e-01 -1.0652e-01 9.9678e-01 1.5690e+00 -5.9849e-01 1.4648e-01 2.5331e-01 1.9505e-01 3.8257e-02 -2.1804e-03 -1.3038e+00 1.0956e-01 7.8990e-01 -1.3154e+00 6.0157e-01 -9.1589e-01 9.6150e-01 1.9437e-01 -1.7272e-01 -1.5390e-01 8.7191e-01 -4.7325e-01 -6.7876e-01]",{$[Si](C)(CCCOCC1COC(C)(C)O1)$},"[ 0.8185 0.0461 0.1696 0.7515 -0.6638 -0.1635 0.0309 -0.1456 -0.1768 0.352 -0.2995 -0.4215 -0.4084 0.9855 0.0763 -0.0137 -0.4827 0.6821 -0.1805 0.0083 -0.1058 -0.0064 0.2593 0.3022 -0.5569 0.2842 0.1699 0.13 0.8333 -0.0244 0.1978 0.4103 -0.8076 0.3541 -0.2224 0.2574 0.1225 0.7273 0.455 0.6561 0.2297 0.5241 0.6855 -1.0554 -0.0919 0.0912 1.1418 -0.0462 0.5805 -0.1621 -0.2797 0.4417 -0.2074 -0.2813 -0.032 -0.4049 0.22 -0.2645 -0.1589 0.7948 -0.7293 -0.6208 0.0267 0.4934 -0.8926 -0.4061 0.0605 0.0843 1.2467 -0.3345 0.7499 -0.736 -0.3166 -0.1066 -0.0436 -0.2182 0.4245 -0.5786 -0.5299 -0.3098 -0.407 -0.3943 -0.7517 0.5524 0.2586 -0.3271 0.5085 0.4258 -0.8924 -1.1647 -0.4697 0.0118 0.5922 0.4476 0.1952 -0.5335 -0.2385 0.1647 -0.4987 -0.4204 -0.4912 0.2842 -0.4543 -1.1334 0.0068 0.7051 0.2467 0.6977 -0.3707 0.0857 0.6349 0.5927 0.3757 0.4702 0.0621 -0.1876 0.0393 -0.6658 0.5546 0.5553 -0.2511 -0.2011 -0.1338 0.0032 0.198 -0.1618 -0.1227 -0.3451 -0.1643 0.0436 0.3609 -0.0622 -0.2052 -0.1382 0.4272 -0.1299 -0.091 1.0941 -0.054 0.5158 -0.5265 0.1062 -0.7847 0.1806 0.2901 0.3491 -0.3098 -0.6049 -0.2757 -0.0531 -0.3156 -0.8159 0.2285 -0.4247 0.1785 0.5387 0.7853 0.6792 0.4466 0.5566 0.4197 -0.1549 -0.1142 -0.2875 0.1267 -0.1339 1.0278 -0.2188 0.0272 0.126 0.2839 0.0403 0.3375 0.4574 -0.433 -0.2079 -0.3143 -0.0395 -0.719 -0.3319 0.4459 0.2 -0.0952 0.2531 -0.5519 0.9255 -0.5504 -0.1314 -0.068 -0.075 0.5364 0.6206 0.0405 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[*][Si]([*])(C)c1ccc(COCCN(CC)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1,,*[Si](*)(C)c1ccc(COCCN(CC)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1,425.15,GREA,425.15,,1,0.0,black,30,30.0,30,30,1,15.0,15.0,15.0,15.0,1.0,1,1,1,1,1.514807449771625,0,6,10,3,0,3,80.33,0.0,0,4.899909730850478,404.1848406,6,24,10.690976216524142,13.530619164203545,0.9,0,0,0,0,12,2,0,0,6,0.2333333333333333,7,4,1,2.3237900077244498,0,0,0,0,0,0,0.0,0.0,0,0.0,44.00822666,2,0,2.5277777777777777,6.547011353681087,3.0,0,0,0,0,3,0,0,0,0,0.75,3,1.4878154726115245,0,6,11,3,0,3,80.33,0.0,0,10.086635376537936,446.1774172219999,8,24,10.73689618762916,20.07763051788463,1.0,0,0,0,0,16,2,0,0,6,0.2941176470588235,10,Polysiloxanes,Polysiloxanes/silanes,"[-0.8426 0.3924 -0.7831 -0.1431 0.4723 1.6949 -0.0988 0.6054 -0.8254 0.0703 -0.8311 -0.6063 0.2676 -0.4204 0.857 0.3067 1.1749 0.5097 0.5442 -0.086 0.7234 -0.9739 -0.5394 -0.3347 -0.0727 0.5294 0.7568 -0.3019 -0.4373 -0.0954 -0.931 0.1912 1.727 -0.0599 -0.8453 0.0356 0.3562 0.197 -0.2477 0.3233 0.3403 -1.1197 1.3144 0.7725 -0.7839 1.148 -0.7502 -0.2665 0.4917 -0.5746 -1.765 -0.83 0.2913 0.2231 2.6501 0.796 1.2504 -0.5946 -0.7156 1.2882 0.054 1.7461 -0.8615 -0.0804 0.0498 0.2132 2.0135 0.7563 0.7139 -0.4477 -1.639 -0.6069 0.2844 0.2618 0.105 0.4166 0.2323 -0.5881 0.0193 -0.1328 -0.8689 -0.3232 0.2954 0.2571 0.3329 0.5612 0.82 -0.2552 -0.6537 0.0029 1.6304 -0.4245 -1.5037 -0.1464 -1.6095 -0.5517 -1.0506 0.1394 0.1222 -0.3497 -0.0721 0.9594 0.7408 0.5516 0.9663 -1.1387 -0.6403 -0.2417 0.3364 -0.0922 0.9375 -0.4094 0.3624 0.9201 0.7742 1.3054 -1.8982 -1.2731 -1.0218 -0.0194 -1.956 -0.4413 0.4173 0.9388 0.8984 0.2804 0.7874 0.0267 -0.0925 0.7018 -0.0931 -0.8487 -0.1999 1.0586 -1.0107 1.0656 -1.5755 -0.4319 -0.6912 0.4057 0.6396 -0.5058 -0.1756 0.2295 -0.1537 -0.0319 -0.4034 0.0866 0.0055 -0.2909 -0.7521 -0.909 0.097 -0.4785 -0.0284 -0.2727 0.8062 1.3101 -0.2149 0.6557 -1.0646 1.5175 -0.3546 0.3689 1.1019 -0.1294 -0.4789 -0.1003 -0.6427 -0.6706 1.5879 0.2513 0.3356 0.3183 -0.005 0.1759 1.6012 -0.3244 -0.3778 0.8579 -0.5824 -1.6178 1.374 0.2434 1.0472 -0.2334 -2.0231 0.8939 0.0351 -1.755 -0.6839 1.4943 0.1655 -0.9167 -0.2027 1.0657 0.6187 1.112 -0.3307 0.5009 -0.1557 -0.5583 -0.6336 -0.4786 0.1134 -0.4369 0.495 0.0738 -0.1059 1.6117 -0.35 -0.1809 -1.271 0.8581 -1.1952 0.0078 0.5138 -0.061 -2.044 0.4503 -0.3558 0.2685 -0.2911 0.7047 -0.1703 -0.9008 -0.4235 -1.4581 1.1538 0.3098 1.6246 0.2701 0.0521 -0.9551 0.2612 0.7122 -0.0884 0.572 -0.1136 0.7618 0.7634 -0.1525 -1.1733 0.6178 0.4768 1.864 -0.1358 -0.5585 0.6029 0.64 -0.0154 -0.323 -0.721 -0.4403 -0.3902 -1.5662]",{$[Si](C)(c1ccc(COCCN(CC)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1)$},"[-0.3103 0.4655 0.0446 -0.262 -0.1118 0.778 -0.3325 0.4007 -0.3866 0.1067 -1.0762 -0.0275 -0.1902 0.1791 0.7045 -0.3182 0.5803 -0.1425 0.4923 0.1169 -0.1482 -0.202 -0.481 -0.2486 -0.0709 0.1242 0.0877 0.473 -0.0195 -0.4211 -0.0883 0.0231 0.3839 -0.3448 0.3295 0.3846 0.2471 0.8273 0.3951 -0.2078 0.3259 0.3863 0.8115 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[*][Si]([*])(CCCC)CCCCC,,*[Si](*)(CCCC)CCCCC,247.15,GREA,247.15,,1,0.0,black,9,4.5,5,4,2,2.25,2.0,2.5,4.5,1.0,1,1,2,2,4.165354559,0,0,3,0,0,0,0.0,0.0,0,0.0,130.1721507,9,0,4.392361111111111,59.79905691339255,2.0,0,0,0,0,7,0,0,0,0,0.0,0,3,1,1.6329931618554523,0,0,0,0,0,0,0.0,0.0,0,0.0,29.99257659,1,0,1.0138888888888888,0.0,4.0,0,0,0,0,2,0,0,0,0,1.0,3,3.416508761572592,0,0,7,0,0,0,0.0,0.0,0,0.0,156.1334272,10,0,2.357661643361048,58.03977406784424,1.0,0,0,0,0,11,0,0,0,0,0.25,3,Polysiloxanes,Polysiloxanes/silanes,"[-2.6146e-01 1.2853e-01 2.1502e-01 1.8261e+00 6.5427e-01 8.1866e-02 9.9490e-01 -1.6677e+00 1.8274e-03 9.9168e-01 4.4026e-01 -3.4281e-01 -1.1210e+00 7.8517e-02 -1.0176e+00 1.7654e+00 1.4218e-01 1.8091e+00 3.7090e-02 1.0754e-01 1.2446e+00 5.3363e-01 -1.8710e-01 -1.3888e+00 -1.1927e+00 -5.3993e-01 2.0585e+00 -7.2624e-01 1.1963e+00 1.1645e+00 -1.9681e+00 -5.1305e-01 5.6218e-02 4.0766e-01 -1.5178e+00 -8.5261e-02 2.2501e-01 1.0486e+00 1.8750e-01 -1.0335e-01 1.5096e+00 -1.3052e+00 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[*][Si]([*])(CCCC)CCCCCC,,*[Si](*)(CCCC)CCCCCC,233.15,GREA,233.15,,1,0.0,black,10,5.0,6,4,2,2.5,2.0,3.0,5.0,1.0,1,1,2,2,4.313837186367881,0,0,4,0,0,0,0.0,0.0,0,0.0,144.1878008,10,0,4.412361111,66.21987853631855,1.8333333333333333,0,0,0,0,8,0,0,0,0,0.0,0,3,1,1.6329931618554523,0,0,0,0,0,0,0.0,0.0,0,0.0,29.99257659,1,0,1.0138888888888888,0.0,4.0,0,0,0,0,2,0,0,0,0,1.0,3,3.3851697478865983,0,0,8,0,0,0,0.0,0.0,0,0.0,170.1490772,11,0,2.362661643361048,64.46059569077025,0.9090909090909092,0,0,0,0,12,0,0,0,0,0.2307692307692307,3,Polysiloxanes,Polysiloxanes/silanes,"[-4.7372e-01 -2.4653e-01 -8.5625e-02 1.3819e+00 7.7996e-01 -1.1097e-02 1.3574e+00 -1.4319e+00 -2.2875e-01 1.1297e+00 7.7188e-01 -5.6910e-01 -1.1264e+00 -1.3842e-01 -9.1377e-01 1.9837e+00 1.1180e-01 1.4924e+00 1.1996e-01 -7.6946e-04 1.3864e+00 6.1054e-01 -8.3049e-01 -1.4809e+00 -9.4260e-01 -5.4630e-01 1.9774e+00 -7.3737e-01 1.1210e+00 8.0508e-01 -1.8674e+00 -4.6490e-01 3.6051e-01 5.8972e-01 -1.2656e+00 -3.9133e-02 5.9974e-01 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[*]c1cc(Br)c(OC(=O)c2ccc(OCCCCCCCCCCOc3ccc(C(=O)Oc4c(Br)cc(C([*])(C)C)cc4Br)cc3)cc2)c(Br)c1,,*Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(=O)c3ccc(OCCCCCCCCCCOc4ccc(C(*)=O)cc4)cc3)c(Br)c2)cc1Br,401.15,GREA,401.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,51,1,1.0263684673591087,0,6,18,4,0,4,71.06,0.0,0,25.01381888366181,917.9401873,17,32,12.811608174761504,71.13195342895072,0.5918367346938775,4,0,0,4,28,2,0,0,6,0.2352941176470588,12,1.0263684673591087,0,6,18,4,0,4,71.06,0.0,0,25.01381888366181,917.9401873,17,32,12.811608174761504,71.13195342895072,0.5918367346938775,4,0,0,4,28,2,0,0,6,0.2352941176470588,12,Polyoxides,"Polyoxides/ethers/acetals, Polyesters/thioesters","[-0.5477 -1.8246 -0.717 -1.0551 -1.7563 1.9051 -2.8251 -0.0132 -2.0161 0.0988 -0.2068 0.0263 -0.934 -1.1738 0.9486 -0.0226 -1.5497 -0.8987 -0.576 0.2916 -0.4505 -1.6299 -1.2992 0.8894 -0.6666 0.5675 -0.5133 -1.088 0.1036 0.0641 0.7359 0.2225 1.3939 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[*]c1cc(Br)c(OC(=O)c2cccc(C(=O)Oc3c(Br)cc(C([*])(C)C)cc3Br)c2)c(Br)c1,,*Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(=O)c3cccc(C(*)=O)c3)c(Br)c2)cc1Br,388.15,GREA,388.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,33,1,1.826537053080008,0,4,5,3,0,3,52.60000000000001,0.0,0,15.540092976061707,669.7625573280001,7,24,12.867485174899723,19.76538044554264,0.8064516129032258,4,0,0,4,15,2,0,0,6,0.303030303,10,1.826537053080008,0,4,5,3,0,3,52.60000000000001,0.0,0,15.540092976061707,669.7625573280001,7,24,12.867485174899723,19.76538044554264,0.8064516129032258,4,0,0,4,15,2,0,0,6,0.303030303,10,Polyesters,Polyesters/thioesters,"[-5.6248e-01 -1.7588e+00 -3.8852e-01 -1.1075e+00 -9.3992e-01 1.5480e+00 -2.4873e+00 -6.8256e-02 -1.9571e+00 6.7138e-02 6.9284e-02 6.5789e-01 -6.9761e-01 -8.6525e-01 1.0948e+00 -5.1383e-01 -1.2476e+00 -8.9851e-01 -5.0143e-01 -2.2836e-02 -7.4915e-02 -2.0860e+00 -8.6617e-01 3.9487e-01 -1.2521e+00 6.8671e-01 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0.4638 0.2551 -0.5272 0.2096 -0.4679 0.1035 0.7475 -0.545 2.0533 -0.3694 -0.6813 -0.4088 1.0431 -0.5695 -1.2774 0.5185 -0.241 1.7301 0.0499 0.0758 -0.3452 -0.6733 0.7465 -0.1559 0.4925 -1.5563 0.226 0.7754 0.8442 0.7092 -0.0806 -0.8546 -0.4967 -0.5799 -0.7837 -0.0428 0.2303 0.5123 0.8443 -0.8323 -0.3357 0.5683 -0.0884 -0.026 0.8202 0.8362 -0.5991 0.2517 1.0298 0.5027 -0.4487 0.4541 0.3137 0.4967 -0.5612 -1.5524 -0.0506 -1.6011 -0.1258 -0.0735 -0.0873 -0.3528 -0.1956 0.5343 0.303 -0.0904 0.3641 0.8362 -0.6184 -1.4944 0.4427 -0.931 -0.1459 0.1591 0.4173 -1.5943 0.6555 0.2667 -0.1141 -0.1323 -0.2963 -0.3201 1.0973 0.0305 -0.1489 -0.7787 0.2249 0.445 -0.8148 0.3186 -0.1853 0.8966 -1.188 0.3888 -0.4045 0.4226 -1.3539 -1.4996 1.0205 -1.754 -0.6359 0.7367 1.3196 -0.2248 -0.4438 0.488 -0.2937 -1.0027 -1.1684 -0.2202 -0.3604 0.4134 -0.4769 -0.0742 0.6319 -1.0123 -0.6326 0.3887 -0.6734 0.8415 1.0124 -0.4045 0.6976 -0.5387 1.1094 0.2533 2.5356 0.6772 -0.1316 0.4589 -1.0254 -0.1515 -0.9997 0.0732 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[*]c1ccc(OC(=O)Oc2ccc(C([*])(C)CC)cc2C)c(C)c1,,*Oc1ccc(C(C)(CC)c2ccc(OC(*)=O)c(C)c2)cc1C,392.15,GREA,392.15,,1,0.0,black,2,2.0,2,2,1,1.0,1.0,1.0,1.0,1.0,1,1,1,1,1.0,0,0,0,0,0,0,0.0,0.0,0,0.0,30.04695019,2,0,2.0,13.847474399381248,1.0,0,0,0,0,1,0,0,0,0,0.0,0,22,1,2.0872945046364304,0,3,3,2,0,2,35.53,0.0,0,15.540092976061707,268.10994437200003,4,16,11.97355898841018,27.19203322199788,1.1,0,0,0,0,10,1,0,0,6,0.2272727272727272,5,2.116301069611806,0,3,4,2,0,2,35.53,0.0,0,15.540092976061707,296.1412445,6,16,12.092762306311414,40.03367647,1.1363636363636365,0,0,0,0,12,1,0,0,6,0.2083333333333333,5,Polycarbonates,Polycarbonates/thiocarbonates,"[ 0.0356 0.2044 0.9045 0.1871 0.3755 -0.2078 -0.2067 0.2168 -0.4334 -0.326 1.4294 -0.8295 0.2526 -0.7408 0.0423 0.1206 0.1345 0.2989 1.3149 -0.6799 0.5809 -1.4324 0.563 -0.6032 -1.525 1.0816 1.6699 -0.6841 -0.7021 1.1463 -1.0636 0.1146 0.2959 -0.5388 -2.2985 0.0459 -0.2554 -0.6931 -0.0526 -0.0973 -0.1296 0.0945 0.3676 0.7315 0.0367 1.5268 -0.1393 -1.1349 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[*]c1ccc(OC(=O)Oc2ccc(C3([*])CC(C)CC(C)(C)C3)cc2)cc1,,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CC(C)CC(C)(C)C2)cc1,508.65,GREA,508.65,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,27,1,1.6595575674850345,0,3,3,3,1,2,35.53,0.0,0,15.540092976061707,336.1725446,9,16,12.028078855643114,45.95158251401129,1.04,0,0,0,0,16,1,0,0,6,0.1851851851851851,5,1.6595575674850345,0,3,3,3,1,2,35.53,0.0,0,15.540092976061707,336.1725446,9,16,12.028078855643114,45.95158251401129,1.04,0,0,0,0,16,1,0,0,6,0.1851851851851851,5,Polycarbonates,Polycarbonates/thiocarbonates,"[ 0.3412 0.2125 0.4469 0.5119 0.2778 0.4653 0.2343 -0.6481 -0.3495 0.0303 0.963 -0.8925 0.701 -1.1377 -0.1634 -0.5613 0.1241 0.349 1.0087 -0.6257 1.3273 -0.5858 0.8747 -0.3126 -0.8299 0.8209 1.2273 -0.0542 -0.5843 0.6195 -0.8287 0.9175 0.7306 0.2055 -1.6486 0.0869 -0.0527 -0.2841 -0.2655 -0.2992 -0.0532 -0.1545 0.6503 0.6767 -0.4927 0.9396 -0.6095 -1.1385 0.1489 0.0364 0.5922 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[*]c1ccc(OC(=O)c2ccc([Si](C)(C)c3ccc(C(=O)Oc4ccc(C([*])(C)C)cc4)cc3)cc2)cc1,,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc([Si](C)(C)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,453.15,GREA,453.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,38,1,1.4223157899798593,0,4,7,4,0,4,52.60000000000001,0.0,0,25.913544267436624,492.1756859,6,30,12.736532175510934,32.85940315290482,0.6666666666666666,0,0,0,0,15,2,0,0,6,0.1842105263157894,7,1.4223157899798593,0,4,7,4,0,4,52.60000000000001,0.0,0,25.913544267436624,492.1756859,6,30,12.736532175510934,32.85940315290482,0.6666666666666666,0,0,0,0,15,2,0,0,6,0.1842105263157894,7,Polyesters,"Polyesters/thioesters, Polysiloxanes/silanes","[-8.0439e-02 5.4669e-01 1.2250e-01 1.6693e-01 -3.0876e-02 1.2245e+00 3.0078e-02 -3.9960e-01 -2.4305e-01 2.7789e-01 -3.1179e-02 -5.3726e-01 2.4318e-01 -1.7492e-01 2.1005e-01 -5.3339e-01 1.5563e-01 1.1906e-01 7.1262e-01 -8.2977e-02 8.8616e-01 -7.3345e-01 1.1463e+00 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[*]c1ccc(OC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C(=O)Oc4ccc(C([*])(C)C)cc4)cc3)cc2)cc1,,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,568.15,GREA,568.15,,1,0.0,black,12,6.0,6,6,2,0.5,0.5,0.5,1.0,11.0,11,11,22,1,6.000000000000002,0,0,0,2,0,2,0.0,0.0,0,0.0,156.0939004,0,12,4.0,0.0,0.6666666666666666,0,0,0,0,0,0,0,0,12,0.0,0,36,1,1.3323366244936543,0,4,7,4,0,4,52.60000000000001,0.0,0,25.913544267436624,464.1443858,4,30,12.575180134694609,19.76538044554264,0.6764705882352942,0,0,0,0,13,2,0,0,6,0.1944444444444444,7,1.3713407677844762,0,4,9,6,0,6,52.60000000000001,0.0,0,36.28699555881154,616.206986,4,42,13.276507050523689,19.76538044554264,0.5217391304347826,0,0,0,0,15,2,0,0,6,0.1458333333333333,7,Polyesters,"Polyesters/thioesters, Polysiloxanes/silanes","[-1.4345e-01 4.9947e-01 -7.5297e-02 4.1692e-01 1.5057e-01 1.1847e+00 -1.8119e-03 -4.7099e-01 -5.7678e-01 1.9586e-01 -7.2880e-02 -1.3630e-01 4.1570e-01 -5.5422e-01 7.0414e-02 4.4478e-02 2.1299e-02 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[*]c1ccc(OCC(CCl)O[Si](C)(C)OC(CCl)COc2ccc(C([*])(C)C)cc2)cc1,,*O[Si](C)(C)OC(CCl)COc1ccc(C(C)(C)c2ccc(OCC(*)CCl)cc2)cc1,297.15,GREA,297.15,,1,0.0,black,4,2.0,2,2,2,0.2361111111111111,0.2222222222222222,0.25,0.4722222222222222,7.5,7,8,15,1,2.0,0,0,0,0,0,0,0.0,0.0,0,0.0,99.98465555,4,0,9.277777777777777,0.0,3.0,2,0,2,0,2,0,0,0,0,1.0,2,28,1,1.6208316466136985,0,4,11,2,0,2,36.92,0.0,0,15.540092976061707,372.1756859,12,14,5.951580705399699,32.85940315290482,0.8076923076923077,0,0,0,0,17,0,0,0,6,0.25,7,1.8550568597064483,0,4,13,2,0,2,36.92,0.0,0,15.540092976061707,468.1290413,16,14,6.250716507868836,45.06733592840142,0.8666666666666667,2,0,2,0,21,0,0,0,6,0.28125,9,Polyoxides,"Polyoxides/ethers/acetals, Polysiloxanes/silanes","[ 4.2825e-02 -1.8233e-01 -2.2732e-01 -1.1327e+00 -1.1479e+00 1.7930e+00 -1.3338e+00 -1.2762e-01 2.2906e-01 6.9290e-01 -5.3126e-01 -5.5414e-01 -4.2991e-01 -4.9066e-01 6.3669e-01 -1.5489e-01 2.8200e-01 -2.6578e-01 4.9784e-01 -8.3670e-01 1.5527e+00 -5.9234e-01 -7.5938e-01 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7.6023e-01 4.5015e-01 2.2566e-01 -2.9201e-01 -1.2083e-01 6.1999e-03 -2.7275e-01 3.1092e-01 1.4012e-01 3.6185e-02 -2.9021e-01 3.4907e-01 -2.9685e-01 1.1435e-01 9.1665e-02 5.0966e-02 1.0880e-01 -4.4488e-01 -1.0893e-01 9.2700e-02 -2.2683e-01 1.6745e-01 -1.8693e-01 3.0426e-01 -5.3490e-01 -8.1853e-01 7.9885e-02 1.9075e-01 -2.3425e-01 -3.6908e-01 6.8305e-02 1.8902e-01 1.1393e-01 -3.0136e-02 3.9454e-01 -8.7830e-02 -8.8773e-02 1.4711e-01 1.3425e-01 -4.1865e-02 1.4694e-01 -6.4762e-01 -6.0557e-02 -1.9688e-01 1.8545e-01 3.5222e-01 1.2717e-01 2.3708e-01 -9.6114e-01 3.6803e-01 8.5749e-02 3.9926e-01 -2.6100e-01 6.8566e-02 3.1744e-01 7.2973e-02 7.9009e-02 3.7127e-01 7.1949e-01 3.3902e-01 5.0307e-02 -9.4514e-02 -7.5112e-02 -4.7014e-01 4.6200e-01]" [*]c1ccc(Oc2cccc3c2C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6cccc(Oc7cccc(C([*])(C)C)c7)c6C5=O)cc4)cc2)C3=O)cc1,,O=C(N1C2=CC=C(OC3=CC=C(N4C(C5=CC=CC(OC6=CC=C(C(C)(C)C7=CC=CC(O[*])=C7)C=C6)=C5C4=O)=O)C=C3)C=C2)C8=C([*])C=CC=C8C1=O,508.15,Qiu,508.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,54,1,0.9596555908198932,0,7,9,8,2,6,102.45,0.25,2,30.07677539156272,684.1896512,3,49,13.739086486951091,19.76538044554264,0.5,0,0,0,0,21,4,0,2,6,0.2037037037037037,11,0.9596555908198932,0,7,9,8,2,6,102.45,0.25,2,30.07677539156272,684.1896512,3,49,13.739086486951091,19.76538044554264,0.5,0,0,0,0,21,4,0,2,6,0.2037037037037037,11,Other class,Other class,"[ 0.1675 -0.1945 -0.7496 -0.0315 -0.8307 -0.4056 0.1537 0.0199 -0.6813 0.7581 0.7416 -0.9123 -0.674 -0.2837 0.7586 -0.0388 -0.3777 -0.3726 0.2399 -0.1269 -0.4803 -0.6231 1.3735 0.3581 0.8293 0.9046 -0.2351 0.3752 -1.6061 0.2361 -0.3167 0.1624 0.8348 -0.3109 -1.7892 -0.197 0.1254 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[*]c1ccc([Si](C)(C)[Si]([*])(C)C)s1,,*c1ccc([Si](C)(C)[Si](*)(C)C)s1,288.15,GREA,288.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,13,1,3.071856277549552,0,1,2,1,0,1,0.0,0.0,1,9.880484118157678,198.0354745,6,5,2.639729150919627,26.188045414724343,1.3636363636363635,0,0,0,0,8,0,0,0,5,0.3846153846153846,5,3.071856277549552,0,1,2,1,0,1,0.0,0.0,1,9.880484118157678,198.0354745,6,5,2.639729150919627,26.188045414724343,1.3636363636363635,0,0,0,0,8,0,0,0,5,0.3846153846153846,5,Polysulfides,"Polysulfides, Polysiloxanes/silanes","[-1.2928e-01 7.1250e-01 2.1789e-01 -7.2000e-02 5.9263e-01 1.0505e+00 1.7903e-01 2.9070e-01 -4.9812e-01 -2.9328e-01 3.0483e-01 -8.0062e-01 -6.0008e-02 6.3542e-01 1.1023e+00 8.2905e-01 2.2088e-01 7.3924e-01 -1.7748e-01 -4.5614e-01 1.1244e+00 -9.9384e-01 4.4904e-01 1.5446e-01 -1.1467e+00 -2.3433e-02 2.2554e+00 -4.7981e-01 -3.4880e-01 2.1537e+00 -6.8140e-01 5.8807e-01 4.8794e-01 -2.9679e-01 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[*]c1ccc([Si](C)(C)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc([Si]([*])(C)C)cc6C5=O)cc4)cc2)C3=O)cc1,,*c1ccc(Cc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc([Si](C)(C)c6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4C3=O)cc2)cc1,568.15,GREA,568.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,49,1,1.0532146017147723,0,4,7,7,2,5,74.76,0.2857142857142857,2,31.426363467224945,648.1900605640001,7,40,13.64501007125806,32.60886703765036,0.5106382978723404,0,0,0,0,21,4,0,2,6,0.2040816326530612,10,1.0532146017147723,0,4,7,7,2,5,74.76,0.2857142857142857,2,31.426363467224945,648.1900605640001,7,40,13.64501007125806,32.60886703765036,0.5106382978723404,0,0,0,0,21,4,0,2,6,0.2040816326530612,10,Polyimides,"Polyimides/thioimides, Polysiloxanes/silanes","[-9.2869e-01 3.8657e-02 8.9242e-02 -3.4107e-01 -5.2407e-01 1.1829e+00 8.0791e-02 2.7552e-01 -6.7723e-01 -6.5901e-01 -2.3000e-01 -2.4592e-01 -7.6562e-01 -8.0570e-02 1.4179e+00 -4.7766e-01 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[*]c1ccc([Si](CCCC)(CCCC)[Si]([*])(CCCC)CCCC)s1,,*c1ccc([Si](CCCC)(CCCC)[Si](*)(CCCC)CCCC)s1,220.15,GREA,220.15,,1,0.0,black,16,4.0,4,4,4,1.6666666666666663,1.3333333333333333,2.0,6.666666666666666,1.5,1,2,6,1,7.898979485566357,0,0,4,0,0,0,0.0,0.0,0,0.0,232.3130013,16,0,8.722222222222221,106.75647058093308,4.0,0,0,0,0,12,0,0,0,0,0.0,0,9,1,2.6138824321213328,0,1,2,1,0,1,0.0,0.0,1,9.880484118157678,141.9728743,2,5,2.4246450617283952,0.0,1.8571428571428568,0,0,0,0,4,0,0,0,5,0.5555555555555556,5,3.3767532301542293,0,1,14,1,0,1,0.0,0.0,1,9.880484118157678,366.2232753,18,5,2.6865115583270347,103.23790488983646,0.8260869565217391,0,0,0,0,20,0,0,0,5,0.2,5,Polysulfides,"Polysulfides, Polysiloxanes/silanes","[-6.5811e-01 8.3551e-02 4.3125e-01 1.3212e+00 6.2572e-01 2.1706e+00 2.9305e-01 -1.0232e+00 -2.8845e-01 -2.9033e-03 -1.0557e-01 -5.4004e-01 -4.5755e-01 1.7900e-01 -3.5581e-01 3.0611e+00 6.4555e-02 1.3594e+00 3.7016e-01 4.3037e-01 2.5259e+00 -5.6164e-01 -5.8682e-01 -5.7787e-01 -1.2132e+00 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[*]c1ccc([Si]([*])(C)C)s1,,*c1ccc([Si](*)(C)C)s1,294.15,GREA,294.15,,1,0.0,black,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,10,1,2.9577276812650206,0,1,1,1,0,1,0.0,0.0,1,9.880484118157678,140.01159778599998,3,5,2.5260648148148146,13.094022707362171,1.75,0,0,0,0,5,0,0,0,5,0.4,4,2.9577276812650206,0,1,1,1,0,1,0.0,0.0,1,9.880484118157678,140.01159778599998,3,5,2.5260648148148146,13.094022707362171,1.75,0,0,0,0,5,0,0,0,5,0.4,4,Polysulfides,"Polysulfides, Polysiloxanes/silanes","[-3.8455e-01 8.6596e-01 -4.4614e-01 5.6580e-01 4.8495e-01 1.3897e+00 2.5794e-01 2.6176e-01 -4.5226e-01 6.3037e-01 8.1251e-01 -8.1049e-01 2.2082e-02 8.7248e-01 8.8122e-01 1.1726e+00 4.3469e-01 8.0336e-01 -7.0027e-01 -9.2605e-01 1.1384e+00 -1.0447e+00 1.1201e+00 2.4460e-01 -1.4032e+00 1.8147e-01 2.7571e+00 -6.3406e-01 1.6518e-01 1.7851e+00 -2.4488e-01 -1.9565e-01 9.6685e-01 -7.3758e-01 -3.8889e-01 -5.3117e-02 1.1185e+00 -4.5348e-01 6.5726e-01 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[*]c1ccc2c(c1)C(=O)N(c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(N3C(=O)c4ccc(C([*])(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,,O=C(C1=CC=C([*])C=C12)N(C3=CC=C(OCC(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)C(N4C(C5=CC(C([*])(C(F)(F)F)C(F)(F)F)=CC=C5C4=O)=O)=C3)C2=O,501.15,Qiu,501.15,,1,0.0,black,29,9.666666666666666,21,4,3,2.111111111111111,2.0,2.333333333333333,6.333333333333334,3.333333333333333,1,8,10,2,10.784602438619965,1,1,5,0,0,0,20.23,0.0,0,0.0,490.00370096000006,29,0,31.950138888888887,49.14737254633254,2.4761904761904763,19,19,0,0,26,0,0,0,0,2.1666666666666665,20,31,1,1.5366406559334969,0,4,3,5,2,3,74.76,0.4,2,15.866186530162564,380.0797069,1,28,13.037969155930917,6.923737199690624,0.6551724137931034,0,0,0,0,13,4,0,2,6,0.2580645161290322,8,1.6307296794640629,0,5,10,5,2,3,83.99000000000001,0.4,2,20.60304948396261,864.0364576320001,29,29,14.80340408,54.05944744,0.5,19,19,0,0,42,4,0,2,6,0.4666666666666667,28,Other class,Other class,"[ 0.3337 -0.7078 -0.0234 0.2155 0.4507 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-0.3085 -0.7163 -0.7323 -0.4748 -0.4171 -0.2338 -1.5432 -0.6317 -0.2984 0.8634 -0.1597 -0.3076 0.5957 -0.5163 -0.1408 0.962 0.9753 1.5867 -0.8764 0.9316 -0.2977 0.3526 1.1964 1.358 0.0775 -0.6414 -1.4313 0.1482 0.5128 1.2144 0.1602 -0.4438 -0.0161 0.6309 -0.6463 -0.3148 0.5942 0.6361 -0.5875 0.6984 -1.3583 -0.5327 -0.6562 -0.6548 -0.8341 -1.5417 0.5123 0.1973 -0.2781 -0.9385 -0.7995 -0.3915 1.4065 0.1591 -0.4935 0.6723 0.3683 1.0558 0.6647 -0.2394 0.5373 -0.5342 -0.2322 0.0367 0.7485 0.5827 -0.261 -0.2658 0.8301 1.0041 -0.3572 0.34 0.0035 -0.085 -0.4557 1.6528 -1.239 0.1901 0.2714 -0.2812 -0.1511 -0.3067 0.2621 0.7861 -0.3851 0.3329 -0.3035 -0.7602 0.0164 1.3819 -0.0773 0.1499 -1.4247 0.1617 0.4219 0.4883 0.908 -0.0481 -0.53 1.0932 0.7822 0.6699 -0.3671 -0.045 -0.621 0.0716 0.784 -0.5125 -0.428 0.4208 0.5212 0.6992 0.2539 0.5052 -0.1067 -0.9643]",{},"[ 2.6456e-01 -1.6734e-01 3.9671e-01 1.8012e-01 5.4870e-02 -9.9411e-04 -7.2055e-02 -1.5520e-01 -7.8982e-01 -3.4161e-01 -4.5573e-01 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6.7521e-01 -4.3080e-01 8.0026e-02 -6.1961e-01 -4.7358e-01 4.4457e-01 2.0141e-01 -1.0540e-01 -9.0762e-02 3.7429e-01 2.9697e-01 -9.9930e-02 -6.3573e-02 -8.4173e-02 1.2297e+00 -1.4696e-01 -4.7112e-01 -1.4037e-01 -3.9783e-01 -5.5126e-01 5.4983e-01 -1.0050e-01 -8.9803e-02 1.5464e-01 2.0498e-01 2.5200e-01 8.3889e-01 5.4254e-01 -2.0511e-01 -4.0939e-01 -6.3232e-01 2.4898e-01 -6.9675e-01 -2.8922e-01 9.4410e-01 -1.8871e-01 -5.4597e-01 -3.3656e-01 7.9255e-02 -2.2445e-01 -2.8338e-01 2.9025e-01 -7.4088e-03 1.1296e-01 1.8981e-02 -2.0644e-01 1.2481e-01 -2.5706e-01 -2.6541e-01 -4.6155e-01 2.8428e-01 4.3144e-01 4.1914e-02 8.6355e-02 2.8633e-01 1.7872e-01 -5.8395e-01 2.7716e-01 1.4389e-01 4.2647e-01 -6.6739e-01 7.4402e-01 2.2913e-02 1.3696e-01 1.5411e-01 5.0574e-01 2.9300e-02 -1.5552e-01 -6.5912e-01 6.4489e-01 -1.0099e-01 2.7043e-01 -4.7711e-01 -8.2604e-02 4.9325e-02 -1.7113e-01 -1.7429e-01 -2.9542e-01 -1.3286e-01 -2.7123e-01 4.8912e-03 5.0139e-01 2.0990e-01 -9.6485e-02 -3.1645e-01 -5.3048e-01 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[*]c1ccc2c(c1)C(=O)N(c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(N3C(=O)c4ccc([*])cc4C3=O)c1)C2=O,,O=C(C1=CC=C(C2=CC(C(N3[*])=O)=C(C3=O)C=C2)C=C14)N(C5=CC=C(OCC(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)C([*])=C5)C4=O,535.15,Qiu,535.15,,1,0.0,black,21,21.0,21,21,1,2.625,2.625,2.625,2.625,7.0,7,7,7,1,6.137022423171066,1,1,5,0,0,0,20.23,0.0,0,0.0,349.99763157600006,21,0,12.616805555555556,35.78894435791636,0.4761904761904761,13,13,0,0,20,0,0,0,0,0.6666666666666666,14,30,1,1.551046296297421,0,4,2,5,2,3,74.76,0.4,2,21.93255359862417,366.0640568,0,28,12.929409065227969,0.0,0.5357142857142857,0,0,0,0,12,4,0,2,6,0.2666666666666666,8,1.5664285196948695,0,5,9,5,2,3,83.99000000000001,0.4,2,26.669416552424224,714.0460383120001,20,29,14.683838418326982,35.78894435791636,0.5306122448979592,13,13,0,0,33,4,0,2,6,0.4313725490196078,22,Other class,Other class,"[ 1.6977e-01 -9.1373e-01 -2.0813e-01 1.6906e-01 1.2055e-01 -5.5055e-01 2.6488e-01 -1.7827e-01 -1.8145e+00 -8.3285e-01 -1.6484e-01 -1.1677e+00 -7.7411e-01 -4.2039e-01 -5.3407e-01 -1.1869e+00 -1.4782e+00 -3.6727e-01 -1.5140e+00 1.4934e-01 -8.9531e-01 -7.5737e-01 -5.5373e-01 9.1974e-01 7.7443e-01 -4.9939e-01 -4.2639e-01 3.2363e-02 -6.4044e-01 -1.1615e+00 6.4622e-01 -5.7808e-01 1.0510e+00 -4.6993e-01 1.4074e-01 3.8130e-02 9.5058e-01 3.6088e-02 -4.4905e-01 2.8732e-01 8.0002e-01 -7.4856e-01 -8.0031e-01 1.6479e-01 -8.0838e-01 -1.4720e-01 -1.4013e-01 -3.5970e-01 7.7703e-01 1.5112e+00 5.4776e-01 -1.5464e+00 -3.9425e-02 9.7643e-01 1.7577e+00 -1.3313e-01 1.0114e+00 1.4484e+00 1.1086e-01 1.4300e+00 -1.2331e-01 1.6049e+00 -3.5434e-01 -1.1474e-03 -6.0099e-01 -5.9425e-01 2.5184e+00 -7.4593e-01 -4.9230e-01 -7.5494e-01 -6.4393e-01 -8.2826e-01 2.6515e-01 1.2352e+00 -1.7251e-01 1.4445e+00 -6.5273e-01 9.3363e-01 -2.0286e-01 -1.0273e+00 1.2627e+00 4.7420e-01 -9.3099e-01 -1.6688e-01 8.3555e-01 3.7042e-01 4.6010e-01 1.3866e+00 6.1019e-01 9.2827e-01 3.7934e-01 -7.2661e-02 -1.4243e+00 -1.4585e-01 -3.5353e-01 -2.7698e-01 4.6084e-01 -1.2235e+00 1.9205e+00 -9.0047e-01 -5.0299e-01 -4.9219e-02 -8.4582e-01 7.7879e-01 4.4796e-01 -5.8199e-01 -8.1690e-01 5.7559e-01 8.3590e-01 -4.0386e-01 -4.7496e-01 1.1122e+00 2.1310e+00 -1.7585e-01 -5.3875e-01 -1.4864e-01 -1.1761e+00 -1.6306e+00 6.7232e-01 -2.3274e-01 -3.6824e-01 1.3311e-01 7.2693e-02 -1.8664e-01 9.9715e-01 4.6685e-01 3.8900e-01 -1.1113e+00 -8.2938e-01 1.6810e-01 -1.3595e+00 -1.2660e+00 1.3990e+00 5.5814e-01 -6.5771e-01 9.2913e-02 2.1756e-01 -8.2034e-01 -4.2434e-01 5.2437e-01 -2.3997e-01 -8.4225e-01 -1.3351e-01 -8.0546e-01 -5.5398e-01 -7.9427e-01 -1.8137e+00 -3.8396e-01 -2.9510e-01 1.0120e+00 2.0755e-01 -2.4681e-02 4.7608e-01 -7.1887e-01 3.4964e-01 9.2212e-01 8.7630e-01 8.8108e-01 -1.3052e+00 7.0363e-01 -5.4434e-01 3.9411e-01 1.2008e+00 1.5605e+00 7.3055e-02 -1.0746e+00 -6.7578e-01 5.0133e-01 3.7003e-01 5.6177e-01 -4.0306e-01 -1.0674e-01 -1.1186e-01 3.7684e-01 -4.6680e-01 -2.7336e-01 4.7165e-01 3.7428e-01 -4.5110e-01 5.2886e-01 -1.4002e+00 -2.5852e-01 -4.1197e-01 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308.0]",2,145.0629562,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,10,1,2.999871950290996,0,0,2,1,0,1,0.0,0.0,0,0.0,102.0469502,0,8,2.3670748299319726,0.0,1.0,0,0,0,0,2,2,0,0,6,0.2,2,2.999871950290996,0,0,2,1,0,1,0.0,0.0,0,0.0,102.0469502,0,8,2.3670748299319726,0.0,1.0,0,0,0,0,2,2,0,0,6,0.2,2,Polyphenylenes,Polyphenylenes,"[ 0.1018 -1.3447 -1.8753 0.8019 0.6627 -0.383 0.1527 -1.6194 -0.4859 -0.0932 0.7202 0.8844 0.699 -1.4852 0.1365 0.1891 0.9545 -0.6658 -0.5184 0.3136 0.75 0.6369 0.3464 0.0317 -1.3715 0.0198 2. -0.5699 1.8796 0.384 -0.2153 -0.4636 1.5688 0.5667 -1.1119 -0.3552 1.4318 -1.032 0.184 -0.4165 0.0089 -0.7619 0.1315 1.1145 -0.3403 1.6095 -0.0554 -1.9904 -0.3531 0.4302 -0.9153 -0.3315 -0.894 0.671 2.882 -0.1318 0.5789 -0.9074 -1.8398 2.8334 0.1085 0.5093 -2.2616 0.0497 -0.0088 -1.6577 0.3492 0.8091 -0.4257 -1.192 0.0768 0.2659 0.8522 1.1532 0.6841 0.5334 0.8198 -1.3535 -0.383 -1.2781 -0.9899 1.0648 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3.2617e-01 -7.9832e-01 1.3612e+00 -6.5295e-01 -5.1605e-02 -7.1012e-01 1.2293e-02 5.7940e-01 3.8054e-02 -1.8598e-01 -6.0915e-02 1.0281e-01 2.3750e-01 3.3923e-01 2.6850e-01 -3.5334e-01 -6.3780e-01 6.6660e-01 6.0651e-01 -3.0676e-02 1.7006e-01 1.7944e-01 6.2705e-02 4.1982e-01 -2.7535e-01 7.3231e-01 8.6808e-01 -7.9252e-01 -1.9629e-02 8.4218e-01 3.7532e-01 -8.1532e-02 -7.7011e-01 1.6711e-01 1.7969e-01 1.7306e+00 3.8744e-01 -2.5005e-01 5.5571e-02 1.5701e-01 -2.6766e-02 -3.9508e-01 -2.2067e-01 -1.2479e-01 -2.9282e-02 -8.5074e-01 3.2472e-01 1.6304e-01 -6.4002e-01 -4.7015e-01 1.0543e+00 -1.8439e+00 -2.8221e-01 -6.3801e-01 -1.3948e-01 -1.4543e-01 1.1048e-01 2.7495e-01 3.0393e-01 2.4003e-01 1.9391e-01 4.0914e-01 -4.3382e-02 -3.7985e-01 2.8390e-01 6.3370e-01 7.0537e-01 3.4509e-02 -7.3360e-01 6.5421e-01 -4.7819e-01 -6.3657e-01 6.1299e-01 -3.7874e-02 -2.7411e-01 -2.2343e-01 -3.1110e-01 1.7852e-01 -1.1103e-01 8.8013e-01 -1.4480e+00 2.0538e-01 -6.0107e-01 4.8374e-01 7.6275e-02 3.0533e-02 -2.2727e-01 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480.15]",2,2.121320344,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,53,1,1.018356471197632,0,8,9,8,2,6,119.51999999999998,0.25,2,30.07677539156272,670.1376157,0,51,13.857088616186802,0.0,0.4901960784313725,0,0,0,0,19,5,0,2,6,0.2264150943396226,12,1.018356471197632,0,8,9,8,2,6,119.51999999999998,0.25,2,30.07677539156272,670.1376157,0,51,13.857088616186802,0.0,0.4901960784313725,0,0,0,0,19,5,0,2,6,0.2264150943396226,12,Other class,Other class,"[-0.0629 -0.7907 -1.2079 0.1118 -0.853 -1.0362 0.2985 -0.4046 -0.7064 0.4281 0.9877 -0.4259 -0.4175 -0.5274 0.1244 -0.3827 0.2177 -0.3506 -0.4283 -0.0641 -0.7148 -0.4733 1.4667 1.1611 0.9084 0.3682 -0.0664 0.7986 -0.9837 -0.7114 -0.2748 -0.1536 0.7432 -0.3335 -1.7471 -0.4031 0.1987 -0.1202 -1.0084 0.1805 0.359 -0.1095 -0.8767 -0.4692 0.4854 0.4478 -0.4768 0.2333 -0.687 0.6255 0.161 -1.318 -0.196 0.6188 0.5442 -0.9817 0.7154 -0.4377 -0.2466 0.5569 -0.141 1.3057 -1.0482 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0.2857 0.286 0.3284 -1.0625 0.436 -0.7683 -0.4044 0.7392 -0.0436 1.6117 -0.4871 0.125 0.2419 -0.6384 0.1301 -0.4623 -2.001 -1.1476 -0.5893 -1.287 -0.4613 0.9214 -0.377 1.205 -0.0419 0.4927 -0.2026 0.0602 0.5387 0.5514 -0.4168 -0.249 -0.6951 -1.0404 0.0786 0.4019 -0.3833 0.8391 1.2077 -0.7223 0.7236 0.2057 -0.5166 -0.1089 0.0563 1.314 -0.0267 0.1921 -0.0625 1.0056 -0.0686 0.8187 -0.224 0.7194 -0.0153 0.2578]",{},"[-0.0437 -0.6426 0.1591 -0.147 -0.5379 -0.6124 0.2627 -0.3603 -0.0825 0.2353 0.1349 0.0778 -0.5817 -0.1702 0.6572 0.1296 -0.2319 -0.3462 -0.0076 -0.2979 -0.3217 -0.1485 0.296 0.2151 0.151 0.041 -0.0649 0.344 -0.3601 -0.1674 0.2636 0.3976 0.2127 -0.025 -0.3461 -0.14 -0.0132 0.1069 -0.1772 0.1345 -0.5085 0.1352 -0.4549 -0.6315 0.532 0.2593 0.0897 0.2119 -0.0456 -0.0331 -0.0483 -0.1496 -0.3388 0.2297 -0.0128 -0.2377 -0.0388 0.0425 -0.0157 -0.2777 -0.4385 0.852 0.1585 0.2446 -0.8831 0.3532 0.5189 -0.2411 0.7971 -0.1789 -0.1189 -0.1442 0.0109 0.496 0.7882 0.2243 -0.7046 0.207 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3.2164e-01 -5.0060e-01 3.3598e-01 -3.4037e-02 4.2370e-01 -1.0140e-01 -1.5811e-01 -5.2069e-01 -1.7766e-01 -4.7457e-01 5.2760e-01 6.2320e-01 4.9741e-01 3.3360e-01 -8.6618e-02 -3.9543e-01 3.1185e-02 4.9326e-01 -9.9233e-02 -8.0884e-01 5.0092e-01 -5.6024e-01 -1.4055e-01 3.5123e-01 -5.1845e-01 2.1194e-01 2.9819e-01 3.4028e-01 4.0148e-02 -2.8408e-02 -2.1239e-01 1.6789e-01 -5.2712e-02 6.8661e-02 -3.8694e-01 3.7006e-01 -8.9970e-01 -8.6398e-03 -3.6112e-01 3.8794e-01 3.0424e-01 -8.6719e-02 1.8918e-01 -4.9145e-01 -4.4073e-01 1.4582e-01 5.3638e-01 -6.9003e-01 -3.8885e-01 1.8441e-03 -5.7961e-01 -1.3195e-01 2.4658e-01 -1.3222e-01 8.6487e-01 -6.1233e-01 -5.5400e-01 2.7279e-01 -2.4953e-01 -6.2343e-01 -1.7709e-02 -7.2383e-01 3.2132e-01 2.5636e-02 -5.2594e-02 9.6951e-02 2.8660e-01 -3.3568e-01 -2.0446e-01 4.3205e-01 5.2346e-01 -4.8247e-01 1.7536e-01 -1.0522e-01 -2.5818e-02 5.9526e-01 4.7969e-01 -4.7746e-02 4.8623e-03 1.5209e-01 7.1291e-02 -3.5358e-01 -4.7629e-01 -3.3379e-01 -1.2673e-01 -7.1400e-02 1.6204e-01 -1.2138e-01 2.8734e-01 1.4899e-01 -5.7084e-01 1.2150e-01 9.2394e-02 -2.7091e-01 -5.9690e-01 -2.7600e-02 -3.9232e-01 2.8072e-02 4.9965e-01 -1.9693e-01 8.5310e-02 -1.0441e-01 -2.4089e-01 3.3651e-01 5.8284e-02 -8.7361e-02 2.7465e-01 5.7442e-01 -4.6734e-01 2.4765e-01 6.2767e-02 -1.0352e-01 -4.3040e-01 1.7770e-01 -6.4593e-01 7.3130e-01 3.0559e-02 4.7216e-01 1.7492e-01 3.9986e-01 1.3592e-01 6.6030e-02 3.7230e-01 2.0209e-01 8.7089e-02 4.6306e-01 2.1903e-01 -5.0407e-02 -4.4204e-01 3.1038e-01 1.2204e-01 1.4044e-01 -3.6358e-01 4.9479e-01]" [*]C(F)(F)C([*])(F)Cl,Poly(chlorotrifluoroethylene),*C(F)(F)C(*)(F)Cl,342.625,GREA,325.25-360.0,"[325.25, 360.0]",2,24.57196065,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,8,1,4.020391543176799,0,0,1,0,0,0,0.0,0.0,0,0.0,115.9640623,6,0,12.084876543209877,12.056301962413816,1.5,4,3,1,0,7,0,0,0,0,0.75,6,4.020391543176799,0,0,1,0,0,0,0.0,0.0,0,0.0,115.9640623,6,0,12.084876543209877,12.056301962413816,1.5,4,3,1,0,7,0,0,0,0,0.75,6,Polyhalo-olefins,Polyhalo-olefins,"[-5.6411e-02 -7.1645e-01 -1.0010e+00 -2.2324e-01 1.1748e+00 -1.2433e+00 1.8009e+00 -7.2913e-01 -9.2805e-01 1.3620e+00 1.8193e-01 2.4700e-01 -1.8327e+00 -5.3354e-01 -3.4376e-01 -5.9362e-01 2.5704e-01 1.2192e-02 -5.4877e-01 -1.5028e+00 5.6959e-01 7.9034e-01 2.4815e-01 -1.4861e+00 1.4093e-01 -1.5541e+00 7.9349e-01 -1.0080e+00 1.8034e-01 4.6079e-01 -6.5429e-01 -3.9490e-01 1.3923e+00 -1.2446e-01 -5.9597e-01 -1.0277e+00 2.2221e+00 -2.9331e-01 -2.0998e-01 7.0579e-01 4.0688e-01 -1.2278e+00 -3.9795e-01 2.6787e-01 -1.5553e+00 1.7886e-01 8.3421e-01 -5.9377e-01 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-3.2188e-01 1.1312e+00 2.0059e+00 1.5460e+00 7.0245e-01 -5.0050e-01 -1.3294e+00 2.1642e-01 3.5704e-01 -2.1492e-01 -5.3137e-01 -1.2530e-01 2.2637e+00 -2.7763e-01 1.1483e-01 2.1731e+00 -4.8839e-01 3.6198e-01 4.7659e-01 1.4151e+00 1.4758e+00 -1.0666e+00 1.2302e+00 9.3773e-01 -3.6804e-02 9.1964e-02 -5.5353e-01 -1.0756e+00 -5.0579e-01 -5.6860e-01 3.3514e-01 9.2363e-01 -2.1264e-01 2.0430e-03 -1.4730e+00]",{$C(F)(F)C(F)(Cl)$},"[ 0.4247 0.2315 -0.5143 -0.4234 0.3635 -0.5515 0.9039 0.0825 -0.2106 0.8442 0.1519 0.7437 -0.8885 -0.3985 -0.1216 -0.6666 0.4101 0.0658 0.1219 -0.8566 0.419 0.5672 0.0797 -0.374 -0.1979 -0.1737 0.5074 -0.2339 -0.3013 0.7368 -0.0279 0.6671 0.1625 -0.0099 -0.3764 -0.577 1.2299 -0.0828 0.0809 0.1304 0.2775 -0.5608 -0.1101 -0.0957 0.0954 0.2526 0.5095 0.1155 0.5852 -0.0576 -0.157 0.6362 0.3444 0.7495 0.0177 -0.3709 -0.3761 0.3509 0.14 0.6136 -0.1806 0.6946 0.2653 0.1692 -0.5792 -0.4546 -0.3172 0.2186 0.305 -0.5305 -0.5068 -0.7509 1.4033 0.1571 -0.097 0.0401 -0.2527 -0.1481 -0.4123 0.2908 0.4851 0.4988 -0.2043 -0.0158 -0.527 0.1989 -0.2756 0.4424 -0.4224 -0.3273 0.224 0.0243 -0.2351 0.0848 -0.0048 -0.2706 -0.127 -0.175 0.278 0.2059 0.0756 -0.0146 -0.4646 -0.037 0.2204 -0.1634 -0.4964 0.0284 -0.2109 -0.1596 -0.171 1.1122 0.5495 -0.5802 -0.0417 -0.1926 -0.1713 0.4998 0.1273 0.2625 -0.2827 -0.3738 -0.7663 -0.1941 0.3918 0.0447 0.0339 -0.5609 0.3384 0.3455 0.3343 -0.811 -0.0214 -0.5621 -0.1587 0.5148 0.2012 -0.6514 0.2176 0.8878 -0.5648 -0.176 0.3169 -0.2221 0.9203 -0.5581 -0.464 0.0844 -0.2779 -0.2342 -0.4662 0.7633 -0.2129 -0.6132 0.7418 0.3909 -0.1081 0.0082 0.7305 0.2994 0.2956 -0.2561 -0.1814 -1.0359 -0.412 -0.1334 -0.1724 0.1788 0.5958 1.0223 0.1852 0.0626 0.2898 -0.2572 -0.0407 -0.2189 -0.1329 0.0193 -1.2057 0.026 0.2375 -0.8719 0.6822 -0.6844 0.1971 0.2394 -0.7315 -0.6334 0.4132 0.23 0.5271 -0.8752 -0.4931 0.9114 0.5369 0.3297 0.1548 0.0219 0.176 -0.1298 -0.6529 -0.9375 -0.6723 0.4574 0.4165 0.0033 0.3677 0.157 -0.0339 0.313 0.0282 -1.336 0.2715 0.2608 -0.0981 0.0675 0.6051 0.1367 -0.5355 -0.0655 0.1605 -0.4471 0.2316 0.6438 0.7729 0.418 0.0693 -0.1546 -0.1659 -0.1015 -0.0667 -0.0597 -0.4073 0.9169 -0.0362 -0.5875 0.4427 -0.3547 -0.5229 -0.2003 0.6462 0.5765 0.012 -0.1895 0.128 -0.1176 0.0048 0.335 -0.7599 0.1593 -0.1383 -0.3334 0.7017 0.2103 0.3431 -0.4768]" [*]C([*])(F)F,Poly(tetrafluoroethylene),*C(*)(F)F,391.575,GREA,390.0-393.15,"[393.15, 390.0]",2,2.227386361,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,5,1,3.0237157840738176,0,0,0,0,0,0,0.0,0.0,0,0.0,49.99680644,3,0,11.243055555555555,6.928360321623806,2.0,2,2,0,0,4,0,0,0,0,0.8,4,3.0237157840738176,0,0,0,0,0,0,0.0,0.0,0,0.0,49.99680644,3,0,11.243055555555555,6.928360321623806,2.0,2,2,0,0,4,0,0,0,0,0.8,4,Polyhalo-olefins,Polyhalo-olefins,"[-0.2706 -0.3423 -1.6414 0.5631 1.2265 -0.7437 2.1107 -0.9152 -0.4468 1.9707 0.3266 0.3568 -0.5653 0.543 -0.602 0.2323 1.2936 0.0828 -0.4556 -1.5917 1.0647 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-3.6501e-01 7.6890e-02 1.0750e+00 9.3127e-01 2.3080e-01 -5.1481e-02 6.1703e-02 4.5023e-01 5.8811e-01 1.4904e-01 -4.8011e-02 1.0343e+00 -2.7282e-01 1.5459e-01 -1.9882e-02 5.5972e-01 2.9770e-02 -4.1460e-02 1.0506e-01 -6.2343e-01 7.7033e-01 1.2860e+00 -8.0330e-01 1.3544e-01 -4.9622e-01 8.6975e-01 2.3292e-01 -5.6383e-01 -5.7895e-02 2.6889e-01 3.6161e-01 3.5975e-01 2.2521e-01 2.8935e-01 -1.9416e-01]" [*]CC([*])(C)C(=O)OCCCCCCCCCC,Poly(decyl methacrylate),*CC(*)(C)C(=O)OCCCCCCCCCC,209.325,GREA,208.65-210.0,"[208.65, 210.0]",2,0.954594155,yellow,13,13.0,13,13,1,6.5,6.5,6.5,6.5,1.0,1,1,1,1,2.7919988397452453,0,2,10,0,0,0,26.3,0.0,0,0.0,186.1619799,10,3,9.789735088,58.29031018309871,0.9230769230769232,0,0,0,0,11,1,0,0,0,0.1538461538461538,2,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,3.329480663684509,0,2,11,0,0,0,26.3,0.0,0,0.0,226.1932801,13,3,11.783207310131532,78.05569062864136,1.1875,0,0,0,0,16,1,0,0,0,0.2222222222222222,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-0.2652 0.6213 0.4689 0.3793 -0.8977 -0.2479 0.4181 -0.6298 0.1399 1.2267 1.091 -0.9447 -0.1487 0.0837 -0.9721 0.9607 0.3923 0.6102 -0.1882 -0.5529 1.1602 -0.3101 -0.1848 -1.0317 -0.6907 -0.1586 0.8835 0.6986 1.3818 -0.3394 -0.9155 -0.3976 0.7999 0.1827 -1.8783 0.0949 1.3297 -0.1329 0.818 -0.7731 1.0806 -0.4746 0.0714 0.4744 -0.506 0.9061 -0.5069 -0.4562 -0.1537 -0.0426 -0.1165 1.9324 -0.2757 0.1434 0.3593 0.8379 -0.3988 0.4212 -1.1506 1.967 0.1209 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-2.8429e-01 2.1694e-01 -5.4353e-03 -4.9037e-01 4.3581e-01 3.5888e-01 5.7403e-01 -4.5775e-01 1.5530e-01 -3.2091e-01 3.4565e-01 2.6851e-01 -1.9422e-01 3.7516e-01 3.8894e-01 -2.2869e-01 -2.9762e-01 -1.3230e-01 -1.9999e-01 -4.5757e-01 4.5742e-02 -2.3454e-01 2.3318e-02 6.6669e-01 -8.3669e-01 1.9186e-01 -2.8247e-01 2.2352e-01 3.0876e-01 -3.7020e-01 2.0903e-01 4.8848e-01 6.7457e-02 1.5811e-01 8.8566e-02 1.0173e-01 1.3809e-01]" [*]CC([*])(C)C(=O)OCCO,Poly(2-hydroxyethyl methacrylate),*CC(*)(C)C(=O)OCCO,357.175,GREA,350.0-364.35,"[364.35, 350.0]",2,10.14698231,yellow,6,6.0,6,6,1,3.0,3.0,3.0,3.0,1.0,1,1,1,1,2.488403771876112,1,3,3,0,0,0,46.53,0.0,0,0.0,90.03169405,3,3,9.230416666666668,0.0,1.8333333333333333,0,0,0,0,4,1,0,0,0,0.5,3,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,3.816930325656093,1,3,4,0,0,0,46.53,0.0,0,0.0,130.0629942,6,3,11.223888888888888,19.76538044554264,2.111111111111111,0,0,0,0,9,1,0,0,0,0.4545454545454545,5,Polyacrylics,"Polyacrylics, Polyvinyls","[-0.9993 -0.245 0.5548 -0.5321 -1.5171 -0.4373 0.2903 -0.7678 0.5898 0.9259 0.0828 -0.3642 0.0198 0.4805 0.7215 0.7662 1.1988 0.3966 -0.5441 -0.5847 1.0479 0.4333 0.076 -0.9614 -0.9633 0.8447 0.0783 0.7541 0.1067 0.4458 -0.6426 -0.2385 -0.2679 -0.3245 -1.702 0.162 0.1941 -1.4519 1.3316 -0.5285 -0.1121 -1.1185 0.1318 0.5011 -0.7961 0.6793 -0.0687 -0.4816 -0.1249 -1.2618 -0.7204 1.234 0.0787 0.0919 0.0736 1.0895 -1.004 0.3929 -0.882 1.8417 -0.2272 0.2038 -0.9656 0.4832 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-1.8535e-01 4.0355e-01 1.2095e-01 1.8976e-01 -2.2820e-01 3.8443e-01 4.7201e-01 5.9118e-01 4.9853e-01 -7.3673e-01 3.6858e-01 -5.9672e-01 -4.3813e-01 1.2846e-01 4.4485e-01 3.4867e-01 -6.2836e-01 -6.2853e-02 -3.4228e-01 7.0406e-01 8.4283e-01 -7.1772e-01 4.8632e-02 2.6731e-01 2.4935e-01 3.9094e-03 -4.9103e-01 -1.5782e-01 7.0356e-01 -3.7218e-01 7.1680e-02 7.8751e-01 3.2843e-01 -4.9683e-01]" [*]CC([*])(C)C(=O)OCCc1ccccc1,Poly(2-phenylethyl methacrylate),*CC(*)(C)C(=O)OCCc1ccccc1,310.575,GREA,299.0-322.15,"[322.15, 299.0]",2,16.36952198,yellow,11,11.0,11,11,1,5.5,5.5,5.5,5.5,1.0,1,1,1,1,2.328077616345324,0,2,4,1,0,1,26.3,0.0,0,0.0,150.0680796,2,9,9.772847064751826,6.4208216229260096,1.2727272727272727,0,0,0,0,4,1,0,0,6,0.1818181818181818,2,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,2.3407555731818266,0,2,5,1,0,1,26.3,0.0,0,0.0,190.0993797,5,9,11.76631928697405,26.18620206846865,1.5714285714285714,0,0,0,0,9,1,0,0,6,0.25,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-1.1664 -0.0308 0.1351 -0.6476 -0.5315 -0.0528 -0.8924 -0.8579 0.236 0.5281 0.4727 -0.1976 0.8003 -0.1093 1.1689 0.6987 0.9996 -0.5436 -0.4652 -0.9262 0.5212 -0.4449 -0.6096 -1.268 -0.1412 1.0477 0.0199 -0.3451 0.4431 -0.7279 -0.2257 0.0589 -0.0782 0.4177 -1.7757 0.2833 0.3014 -0.3521 1.1415 -1.6253 0.4538 -0.7361 0.698 1.0534 -1.4112 1.5927 -0.0031 -0.8025 0.0253 -1.0235 -0.291 0.0353 -0.2152 0.193 0.4229 1.4056 0.3235 -0.1531 -1.7963 1.7601 -0.7153 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5.4267e-01 8.8375e-02 2.3015e-01 -3.7827e-01 4.3798e-01 1.2216e+00 1.4988e-01 1.5785e-01 6.2279e-01 -2.0618e-01 7.2773e-01 -1.0368e-01 -4.0500e-01 7.3797e-01 1.2470e-01 -7.8276e-02 2.5489e-01 5.4128e-01 1.1080e-01 1.4990e-01 3.4131e-01 -4.8481e-01 3.0583e-01 7.6508e-01 -4.6481e-01 1.2189e-01 9.7627e-02 1.3021e-01 1.4641e-01 -5.9835e-01 -1.7883e-01 5.6275e-01 5.0751e-01 9.0303e-01 4.1192e-01 5.4538e-01 -5.7352e-01]" [*]CC([*])(C)CC,Poly(2-methylbutene),*CC(*)(C)CC,261.575,GREA,255.0-268.15,"[268.15, 255.0]",2,9.298454173,yellow,2,2.0,2,2,1,1.0,1.0,1.0,1.0,1.0,1,1,1,1,1.0,0,0,0,0,0,0,0.0,0.0,0,0.0,30.04695019,2,0,2.0,13.847474399381248,1.0,0,0,0,0,1,0,0,0,0,0.0,0,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,3.360435142696057,0,0,2,0,0,0,0.0,0.0,0,0.0,70.07825032,5,0,2.4722222222222223,33.10993926815927,2.2,0,0,0,0,6,0,0,0,0,0.2857142857142857,2,Polyolefins,Polyolefins,"[ 3.4332e-01 -1.5179e-01 1.1551e+00 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2.2553e-02 1.5039e-01 1.4068e-01 3.2126e-01 -2.3540e-01 1.4087e-01 6.5786e-01 2.5399e-01 4.8405e-01 -6.8731e-01 -2.3089e-01 1.6544e-01 2.7483e-03 -2.0083e-01 1.6846e+00 -2.7913e-01 -4.9342e-01 3.2226e-01 2.3857e-01 -6.0617e-02 4.3771e-01 -5.4271e-01 -7.5696e-01 -1.9372e-01 4.7385e-01 -1.2070e-01 9.5717e-02 -1.3925e-01 2.9752e-01 1.8178e-01 -7.0618e-01 -7.7769e-02 -1.1595e-01 -2.4102e-02 5.3659e-01 1.8681e-01 -3.5544e-02 -4.7612e-01]" [*]CC([*])C(=O)OCC(CC)CCCC,Poly(2-ethylhexyl acrylate),*CC(*)C(=O)OCC(CC)CCCC,216.075,GREA,211.15-221.0,"[211.15, 221.0]",2,6.965001795,yellow,11,11.0,11,11,1,5.5,5.5,5.5,5.5,1.0,1,1,1,1,3.3198191682571188,0,2,7,0,0,0,26.3,0.0,0,0.0,158.1306798,8,3,9.876812720458553,39.53076089108528,1.4545454545454546,0,0,0,0,9,1,0,0,0,0.1818181818181818,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,3.739589952,0,2,8,0,0,0,26.3,0.0,0,0.0,184.1463299,10,3,11.548525683421516,52.87531971370193,1.6153846153846154,0,0,0,0,13,1,0,0,0,0.2666666666666666,4,Polyacrylics,"Polyacrylics, Polyvinyls","[ 3.7306e-01 -3.7816e-01 4.6559e-01 1.0334e+00 -2.1852e-01 2.7980e-01 -1.2316e-01 -1.1867e+00 1.4166e+00 1.1724e+00 5.3433e-01 1.0452e+00 1.4098e-01 -3.1806e-01 -5.4413e-01 1.1594e+00 1.5710e+00 -3.5251e-01 -1.5748e-01 -8.2752e-01 1.1553e+00 -1.7653e-01 2.6649e-01 -1.1778e+00 -3.9747e-01 -4.7857e-01 5.2462e-01 4.7119e-01 1.0716e+00 -4.7395e-01 -1.0961e+00 -7.8414e-01 4.2636e-01 -1.2619e-01 -1.3879e+00 -4.6720e-02 6.1246e-01 -7.8005e-01 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1.1834e-01 5.2930e-01 3.5287e-01 6.1841e-01 -2.4448e-01 -1.9218e-01 -2.5103e-01 3.1615e-01 -3.4977e-01 3.3041e-01 -2.0010e-01 -6.4571e-01 3.8274e-01 5.9008e-01 1.0061e-01 3.8094e-01 -1.1983e-01 -1.5359e-01 -7.5270e-02 5.6952e-01 1.4165e-01 3.1063e-01 -3.1846e-02 -5.1134e-01 -1.7642e-01 -4.2240e-01 5.3999e-02 1.4577e-01 -2.1638e-03 -5.1507e-01 -6.9199e-01 5.9427e-01 -2.3002e-01 -2.2470e-01 -2.9442e-01 -1.7683e-01 -6.5930e-02 -3.4071e-01 2.9370e-01 8.2222e-02 -2.8640e-01 -1.8683e-01 1.1097e-01 -5.9075e-02 -5.2289e-01]" [*]CC([*])C(=O)OCCCCCCCCCCCCCCCCCC,Poly(octadecyl acrylate),*CC(*)C(=O)OCCCCCCCCCCCCCCCCCC,270.825,GREA,230.65-311.0,"[230.65, 311.0]",2,56.81602987,yellow,21,21.0,21,21,1,10.5,10.5,10.5,10.5,1.0,1,1,1,1,2.9147438317396728,0,2,18,0,0,0,26.3,0.0,0,0.0,298.2871805,18,3,9.943013487780131,109.65688316650682,0.5714285714285714,0,0,0,0,19,1,0,0,0,0.095238095,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,3.084339037736917,0,2,19,0,0,0,26.3,0.0,0,0.0,324.3028305,20,3,11.614726450743095,123.00144198912344,0.782608696,0,0,0,0,23,1,0,0,0,0.16,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-2.8714e-01 7.0608e-01 -5.8433e-01 7.0683e-01 -1.2733e+00 -1.1151e+00 5.1571e-01 -1.0355e+00 -5.3146e-01 1.2342e+00 6.9541e-01 -1.0850e+00 1.7773e-01 -1.0761e-02 -1.1956e+00 1.0356e+00 1.5755e-01 4.7842e-01 -1.7085e-02 -7.3922e-01 8.5991e-01 2.2321e-03 3.2050e-01 -1.4474e+00 -6.0317e-01 -1.1752e+00 1.3721e-01 3.6538e-01 8.4025e-01 -4.5016e-01 -7.9568e-01 -7.2629e-01 8.2198e-01 1.2744e-01 -1.5907e+00 -9.0960e-01 1.2230e+00 -1.5812e-01 3.5396e-01 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5.3394e-01 3.8674e-01 1.3635e-01 6.5327e-01 2.2680e-01 -7.4425e-02 -6.6311e-01 7.6218e-02 6.4484e-01 -5.6921e-01 -8.5370e-01 1.4788e-01 2.8391e-01 -1.9982e-01 1.1687e-01 5.8598e-01 -1.6376e-01 6.4555e-02 4.4778e-01 -2.8234e-01 2.7861e-01 -5.9785e-01 -4.3313e-02 -2.6205e-02 7.9712e-01 -1.0017e-01 -2.4582e-01 -5.1770e-01 -8.6693e-01 -7.4490e-01 2.1828e-01 7.7680e-01 3.2599e-01 2.6589e-01 -5.8784e-01]" [*]CC([*])C(N)=O,Poly(acrylamide),*CC(*)C(N)=O,452.075,GREA,438.0-466.15,"[466.15, 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5.5960e-01 2.3756e-01 -3.0502e-01 -1.6093e-01 3.0692e-01 -6.6677e-01 1.6482e-01 4.0090e-01 2.0609e-01 3.1966e-01 -2.4004e-01 5.2395e-01 -2.2429e-01 -6.9556e-01 -4.5647e-01 2.6991e-01 -3.2241e-01 -3.3626e-01 3.5494e-02 1.3168e-01 1.7762e-01 9.8547e-02 -4.7577e-01 3.3746e-02 7.8188e-01 -3.0940e-01 6.7103e-01 -3.8357e-01 1.4962e-01 -5.5690e-01 -1.5358e-01 -2.8917e-02 2.7982e-01 -5.6913e-01 3.4413e-01 -3.5566e-01 -3.5747e-01 4.2275e-02 -1.2180e-01 3.9924e-01 3.1705e-01 -3.2790e-01 -1.9711e-01]" [*]CC([*])c1ccc(C(C)CC)cc1,Poly(p-sec-butyl styrene) ,[*]CC(C1=CC=C(C=C1)C(C)CC)[*],358.5,Schrodinger,358.0-359.0,"[359.0, 358.0]",2,0.707106781,yellow,10,10.0,10,10,1,5.0,5.0,5.0,5.0,1.0,1,1,1,1,2.746978188530899,0,0,2,1,0,1,0.0,0.0,0,0.0,134.1095504,4,6,2.2592592592592595,26.18620206846865,1.2,0,0,0,0,4,0,0,0,6,0.0,0,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.777866404102332,0,0,4,1,0,1,0.0,0.0,0,0.0,160.1252005,6,6,2.389861111111111,39.53076089108528,1.3333333333333333,0,0,0,0,8,0,0,0,6,0.1428571428571428,2,Polystyrenes,Polystyrenes,"[-0.255 0.2747 -0.5208 1.9483 0.5432 0.9854 -0.4448 -1.0008 0.9132 0.0878 0.8277 1.4909 0.7692 -0.9347 -0.4011 0.7584 1.0667 -0.9107 0.5153 -1.4526 1.0849 -0.7044 0.4774 -0.4394 -1.2601 0.4234 1.4694 -0.4496 1.3752 -0.306 -1.1551 -1.7502 0.2438 0.3557 -1.1659 -0.35 1.0298 0.419 0.7382 -0.1715 0.6153 0.1359 0.2676 0.8577 -0.7424 1.2499 0.239 -2.2652 -0.2782 -0.4251 0.2754 0.0751 -0.2429 0.2005 2.1928 0.8421 0.5586 -0.896 -1.2238 2.6933 1.1257 -0.1692 -1.295 -0.0619 1.1815 0.3357 -0.2282 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4.8583e-01 8.9229e-02 4.1910e-01 5.3148e-01 7.5680e-01 1.9668e-01 -1.3760e+00 6.8705e-01 4.3179e-02 -4.3349e-01 -4.2197e-01 6.6601e-01 3.6669e-01 9.0842e-02 2.5066e-01 6.6013e-02 4.6223e-02 1.7137e-01 -2.1938e-01 1.2451e-01 -1.2675e+00 -4.2009e-01 3.9946e-01 -3.6921e-01 3.0570e-01 -1.1445e-01 -1.1720e+00 -5.2480e-01 4.1717e-01 1.2438e+00 9.1202e-02 4.5257e-01 -9.8950e-01 -1.9922e-01 5.6723e-01 2.0184e-01 6.2510e-02 -6.5272e-01 -6.8453e-01 -8.4378e-03 4.6168e-01 -1.6223e-01 3.0688e-01 5.4389e-01 9.3528e-01 -7.4665e-01 -1.3159e-01 -6.2077e-01 1.5118e+00 -1.5771e-01 1.2031e-01 2.6856e-01 1.0028e+00 -3.6255e-01 -6.5701e-01 -5.4261e-01 2.8801e-01 5.9215e-01 -4.3887e-02 2.5905e-01 -3.1101e-01 5.5298e-01 -3.6687e-01 -5.4444e-01 3.7769e-01 3.8227e-01 -2.0073e-01 -5.7151e-01 2.5309e-01 3.4240e-01 3.2654e-01 4.9189e-01 -6.9271e-01 6.9892e-01 3.5367e-01 3.4384e-01]" [*]CC([*])c1ccc(O)cc1,Poly(4-hydroxystyrene),*CC(*)c1ccc(O)cc1,430.575,GREA,430.0-431.15,"[431.15, 430.0]",2,0.813172798,yellow,7,7.0,7,7,1,3.5,3.5,3.5,3.5,1.0,1,1,1,1,3.0214653097240856,1,1,0,1,0,1,20.23,0.0,0,0.0,94.04186481,0,7,8.632222222222222,0.0,1.0,0,0,0,0,1,0,0,0,6,0.1428571428571428,1,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.8057445316140472,1,1,2,1,0,1,20.23,0.0,0,0.0,120.0575149,2,7,9.047187736205592,13.344558822616634,1.5555555555555556,0,0,0,0,5,0,0,0,6,0.2727272727272727,3,Polystyrenes,"Polystyrenes, Polyvinyls","[-1.1241 0.1285 -0.4908 1.6377 0.7379 -1.0675 0.0448 -1.5977 0.4827 0.1245 0.7233 1.6471 0.9513 -0.2192 -0.4301 0.3321 1.0744 -0.7196 0.4592 -0.7195 -0.1412 -0.1762 0.4493 -1.4235 -1.4153 0.0218 1.9282 -0.7101 0.586 -0.4684 -1.4366 -1.2691 0.2645 0.1561 -1.4424 -1.1293 1.2712 0.4171 0.2725 -0.2143 -0.2736 0.0588 1.0341 0.6469 0.0596 1.1189 1.0213 -2.1794 0.1992 -0.3718 -0.605 -0.4994 0.1784 0.1052 1.864 1.3647 0.5455 -0.6145 -0.1621 2.797 0.576 0.5271 -1.5721 0.553 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0.3301 -0.1537 0.65 0.7394 0.7638 -0.6161 -0.3457 -0.5831 -0.2543 -1.148 1.0024 0.6124 0.9983 0.2067 -0.3338 -1.0491 -0.3075 0.3099 -0.5069 -0.1812 -0.4804 0.1405 0.3017 0.472 -0.2179 0.1654 0.6953 -0.3446 -0.1019 0.2041 0.4801 -0.4199 -0.6311 1.0939 -0.2736 -1.6901 -0.2564 0.149 0.9036 0.1585 0.2324 0.4013 0.5965 0.2308 -0.3537 -0.5766 0.5364 -0.0489 0.0044 -0.9487 0.0232 -0.2426 -0.4238 -1.1759 -0.338 0.2554 -0.8465 0.3944 -0.5417 0.5316 -0.1357 0.1418 1.0732 -0.1153 0.2377 0.4929 -1.0138 0.1785 0.8103 0.3909 -0.1712 0.2805 0.55 0.1816 -0.0828 -0.2508 0.1526 0.4138 0.8435 -0.2423 0.1778 -1.2954 0.0985 0.5083 0.0195 -0.3059 0.339 -0.5579 -1.0351 -0.2409 0.3309 0.7986 -0.6376 -0.1951 0.1028 0.2827 0.9751 -1.2998 0.0762 -0.2439 -0.365 0.7008 0.9459 -0.1317 0.3193 0.0275 0.0192 -0.5692 0.3634 0.5063 -0.2896 0.5835 0.5788 0.054 0.4065 -0.5583 -0.0466 0.2267 -0.2695 -0.3718 -0.287 -0.3678 -0.0997 1.299 -0.5428 -0.314 0.9751 -0.6474 -0.5132 -0.512 -1.0003 0.1511 -0.1436 0.4971 0.0647 -1.0194 -0.805 0.3689 0.9041 0.4325 0.4129 -0.5816 -0.1462 0.3579 -0.2499 0.2514 -0.5099 -0.5144 0.1217 0.1702 0.0977 0.0455 0.3456 1.5084 -0.677 -0.0161 -0.3079 0.8869 -0.1126 0.0889 -0.0073 1.248 -0.068 -0.895 0.0413 -0.2718 1.2354 -0.1905 0.3062 0.0557 0.2461 -0.7106 -1.1469 0.1761 0.3597 -0.2019 -0.3775 -0.2178 0.2297 -0.4725 0.3659 0.4052 1.0302 0.5484 0.1309]" [*]CC([*])c1ccccc1CC,Poly(o-ethyl styrene) ,[*]CC(C1=C(CC)C=C(C=C1))[*],375.0,Schrodinger,374.0-376.0,"[376.0, 374.0]",2,1.414213562,yellow,8,8.0,8,8,1,4.0,4.0,4.0,4.0,1.0,1,1,1,1,2.8320858350070903,0,0,1,1,0,1,0.0,0.0,0,0.0,106.0782503,2,6,2.162037037037037,13.344558822616634,1.125,0,0,0,0,2,0,0,0,6,0.0,0,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.959741274163975,0,0,3,1,0,1,0.0,0.0,0,0.0,132.0939004,4,6,2.3594444444444447,26.689117645233267,1.6,0,0,0,0,6,0,0,0,6,0.1666666666666666,2,Polystyrenes,Polystyrenes,"[-0.0773 -0.8746 0.0426 2.0729 1.0354 -0.0353 0.0136 -1.1059 0.447 0.2187 0.4972 0.4001 1.1668 -1.7846 0.124 1.2304 0.9977 -0.8899 0.804 -0.6448 1.09 -0.2686 -0.2052 -1.2798 -0.7877 0.2813 1.8137 -0.6149 1.0752 -1.0312 -1.0861 -0.6154 0.5326 -0.4521 -1.3244 0.0168 0.6564 0.9523 0.8109 -0.746 0.7254 -0.1508 0.7688 0.7127 -1.0924 1.5796 -0.6481 -2.2426 0.4346 0.4807 -0.8058 -0.0913 -0.2189 1.0483 2.3123 0.5046 0.6666 -0.8129 -1.4931 3.2309 -0.6984 0.351 -1.8579 0.6188 1.4372 0.0984 0.6998 0.882 -0.1594 -0.6692 -0.7637 -0.0116 0.5983 0.8573 0.8414 -0.4711 0.1957 -1.5928 -0.8147 -0.0719 -1.4634 1.3908 1.357 0.603 0.0446 0.2302 0.0998 -0.8909 -0.0818 -0.5137 0.3167 -0.8179 -1.045 -0.2322 -0.0935 -0.6118 0.0636 1.0132 -0.7839 0.9978 0.8158 0.0385 -1.1308 0.5555 1.5527 -0.6417 -2.1096 0.0398 -1.3403 0.1718 0.5505 1.3111 -0.1962 0.5656 -0.4921 -0.3203 -0.2782 -0.3747 -1.2585 0.2733 -1.7314 0.8276 -2.3459 -0.8751 -1.6713 -1.1833 0.5508 -1.5977 -0.9759 -0.3154 0.8083 -0.6234 -0.4645 0.4722 -0.9058 0.8495 -0.7607 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5.7777e-01 8.5741e-01 7.3532e-02 3.3392e-01 -4.6751e-01 2.7352e-01 -1.8748e-01 -8.6969e-02 -7.3080e-01 4.1493e-02 -6.6491e-01 -4.5850e-01 1.3411e+00 3.1588e-01 -9.8902e-02 4.3611e-01 -1.0029e+00 4.5340e-02 -2.6307e-01 -1.3088e-01 4.0131e-01 -1.1638e-01 -2.5971e-02 5.9303e-01 -4.2400e-01 -2.6579e-01 4.1542e-01 -1.4054e-01 5.6435e-01 -8.0172e-02 5.6590e-02 3.4019e-01 5.3098e-01 3.3518e-01 4.0088e-01 -9.1686e-03 -7.3888e-01 2.3430e-01 4.6032e-01 -1.6723e-01 -5.3356e-01 4.8413e-01 1.3564e+00 -2.2888e-01 8.7866e-01 -3.5464e-01 -4.7059e-03 2.4197e-01 1.9223e-02 1.8854e-01 6.5962e-01 4.2574e-01 -1.0098e+00 4.3907e-01 -3.4619e-01 1.3314e+00 8.0773e-01 2.7543e-01 7.1596e-01 3.5049e-01 -7.5361e-01 -2.4786e-01 -1.3947e-01 6.0384e-01 -1.1373e+00 -3.0085e-01 -8.8817e-02 3.2968e-01 -3.7866e-01 6.3667e-01 1.0991e+00 6.6221e-01 -2.9756e-02 -1.1080e+00]" [*]CC([*])c1ccccc1OCCCCCCCC,Poly(o-n-octoxy styrene) ,[*]CC(C1=C(OCCCCCCCC)C=CC=C1)[*],285.0,Schrodinger,284.0-286.0,"[286.0, 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1.6073e+00 -5.5639e-01 1.7975e+00 8.9121e-01 9.1774e-01 1.0020e+00 8.6866e-02 -2.2069e+00 -3.4993e-01 1.1410e+00 8.8647e-01 9.1722e-01 -1.2581e+00 1.1384e-01 -1.2075e+00 1.9678e-01 3.2319e-01 5.0399e-01 -1.1282e+00 9.1358e-01 1.3557e+00 6.6276e-01 2.4474e+00 -7.2272e-01 -5.5575e-01 -3.0330e-01 2.1479e+00 -2.2849e-01 3.8910e-02 -5.0926e-01 -1.1517e+00 -1.0793e+00 3.8641e-01 4.3734e-01 1.7682e+00 9.0010e-01 -1.4967e+00]","{OCCCCO>}","[-5.1082e-01 7.4476e-01 -2.0462e-01 -3.1623e-01 1.4468e-01 -7.2446e-01 1.8808e-01 1.8977e-01 -3.7689e-02 2.2726e-01 4.9653e-01 -2.5393e-01 6.4733e-01 1.6491e-01 -6.3763e-02 3.7620e-03 1.1257e+00 6.0901e-01 -6.6986e-01 -1.9486e-01 8.9273e-01 9.2087e-03 4.8821e-01 -1.6066e-01 -7.4937e-02 1.8326e-01 -3.1921e-01 -2.6201e-01 5.4236e-01 4.5281e-01 -1.4534e-01 -6.5109e-01 -2.3977e-01 2.1540e-01 -1.3557e-01 -3.8392e-01 5.7773e-01 -2.8516e-01 5.5749e-01 -7.2654e-01 1.2967e-02 5.9035e-01 -7.0511e-02 -2.2121e-01 1.8025e-01 1.9122e-02 1.3110e-01 -4.6983e-01 -1.7362e-01 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-6.8597e-02 -1.5686e-01 -1.0082e-01 3.4969e-01 -2.4484e-02 -1.2854e+00 1.5254e-01 -1.6332e-01 3.3469e-01 -3.9835e-01 -1.4462e-01 1.3301e-01 -3.8865e-01 1.4305e-01 -4.4987e-02 -4.0296e-01 -3.4532e-01 -1.2210e-01 7.8328e-01 -2.6586e-01 6.8520e-01 -8.5619e-02 6.5588e-01 -5.7985e-01 -4.6257e-01 2.9710e-01 4.8406e-01 -2.2949e-01 -1.6111e-02 4.0091e-01 3.6495e-01 3.0156e-01 -3.2002e-03 3.0898e-01 -1.4383e-01 -4.8280e-01 -1.1321e-03 2.8505e-01 -1.4435e+00 -4.1604e-01 -2.9564e-01 2.5344e-01 -8.0504e-01 -5.4625e-01 -1.0588e-01 8.2541e-02 4.7253e-01 -4.9314e-02 6.6805e-03 -1.3234e-01 -4.6142e-01 8.9882e-03 -9.1902e-02 -7.0622e-01 -7.2864e-01 2.2474e-01 -3.8792e-01 -7.2032e-01 1.2946e-01 -3.0582e-01 -3.6955e-01 -3.8223e-01 -2.2513e-01 2.3596e-01 -2.6334e-01 1.5130e-02 -1.5272e-01 7.9378e-01 1.4315e-01 -2.8277e-01 4.1375e-01 7.0908e-01 7.6854e-01 3.5679e-01 1.9942e-01 1.5297e-01 8.8696e-02 3.9253e-01 2.5244e-01 -5.2645e-01 5.1335e-01 -1.7468e+00 -5.4218e-01 6.9103e-01 5.8749e-01 3.3550e-01 7.0565e-01 -2.6582e-02 3.2094e-01 6.7046e-01 -9.4765e-01 1.7725e-01 4.1765e-01 1.2756e-01 1.0474e-01 -1.0033e-01 5.7286e-01 -5.9912e-01 -1.7914e-01 -8.9031e-02 -1.1525e-01 -4.5040e-01 9.3387e-02 2.0713e-01 -3.4027e-01 6.9398e-01 -7.1715e-02 -1.7995e-01 2.2756e-02 -1.5444e-01 -5.6619e-02 2.6053e-01 -4.6819e-01 -5.5353e-01 5.2450e-02 3.2988e-01 1.0615e-01 9.8487e-01 2.5448e-01 -3.6836e-01]" [*]OCCCCOC(=O)c1cccc(C([*])=O)c1,Poly(tetramethylene isophthalate),*CCCCOC(=O)c1cccc(C(=O)O*)c1,294.575,GREA,292.15-297.0,"[292.15, 297.0]",2,3.429467889,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,18,1,2.4601107418599604,0,4,7,1,0,1,52.6,0.0,0,0.0,220.0735589,5,11,11.720168414588056,12.84164324585202,1.25,0,0,0,0,10,2,0,0,6,0.3333333333333333,6,2.4601107418599604,0,4,7,1,0,1,52.6,0.0,0,0.0,220.0735589,5,11,11.720168414588056,12.84164324585202,1.25,0,0,0,0,10,2,0,0,6,0.3333333333333333,6,Polyesters,Polyesters/thioesters,"[-2.4044e-01 1.9837e-01 -9.3302e-01 2.6953e-01 -4.8691e-01 -1.9348e+00 -4.0253e-02 -1.2270e+00 -6.9668e-01 8.6891e-01 1.1357e+00 1.6832e-01 6.5949e-01 -7.7100e-01 -5.6214e-01 6.1811e-01 9.0848e-01 9.3433e-01 -2.0408e+00 -1.1237e+00 1.0456e+00 -4.3906e-01 1.4306e+00 -1.3849e-01 -1.0054e-02 -1.7191e-01 8.2096e-01 -1.3011e-01 4.1164e-01 -9.4871e-01 -5.0043e-01 -2.4130e+00 3.9490e-01 -3.2019e-01 -1.3171e+00 -1.3433e+00 8.4111e-01 -8.7136e-01 7.4145e-01 -3.9610e-02 4.5495e-01 3.0086e-01 -1.7404e+00 -6.9489e-01 -5.4666e-01 7.4450e-01 9.5038e-01 -1.5209e+00 -5.8516e-02 1.3236e+00 4.1018e-01 -1.0585e+00 -1.4100e-01 8.7809e-01 1.0841e+00 8.9416e-02 1.1597e+00 -4.3281e-01 -1.9945e+00 2.3368e+00 -6.4030e-01 -1.1907e-01 -2.5476e+00 8.6735e-02 -9.8778e-01 6.8830e-02 -8.3167e-01 -7.6243e-01 -7.2767e-01 -6.5632e-01 -8.9753e-02 -6.8402e-01 1.4126e-01 1.0719e+00 -4.4153e-01 1.5225e+00 -8.9780e-01 1.0943e+00 7.5447e-01 -8.2867e-01 -8.6810e-02 1.4290e+00 1.4887e+00 1.3375e-01 4.7629e-01 9.3673e-01 2.8461e-01 1.1117e+00 7.3481e-01 5.4762e-01 -5.5952e-02 1.5556e-01 -6.0355e-01 -1.4437e+00 -5.3117e-01 6.6459e-01 -3.8035e-01 4.3892e-01 6.0332e-01 1.4182e+00 2.1724e-02 1.7311e+00 6.8915e-01 -7.6277e-01 9.1931e-01 -8.7864e-01 -1.1300e+00 -4.8377e-02 -6.4583e-01 -5.7552e-01 4.8354e-01 1.2958e+00 1.5927e+00 -1.2194e-01 1.9381e+00 1.1725e+00 2.9092e-01 2.6520e-01 6.2213e-02 9.4518e-02 -1.5893e+00 -9.3103e-01 -5.0915e-01 -1.2721e+00 1.4579e-01 -2.0513e+00 -1.1352e-01 2.7976e-02 -4.4546e-02 -9.0010e-01 2.0064e-02 -2.3663e+00 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1.0426e+00 -1.2114e+00 2.1030e+00 1.0835e+00 9.0291e-01 1.4231e+00 5.2340e-01 -1.6787e+00 5.1488e-01 5.5631e-01 1.0274e+00 1.2122e-01 -6.0427e-01 6.2668e-01 -4.8054e-01 -2.9928e-01 4.1360e-01 2.7066e-01 -1.7859e-01 6.8869e-01 1.0445e+00 4.8974e-01 2.1074e+00 -3.8801e-01 -7.3600e-01 -1.6744e-01 1.9766e+00 -8.1564e-01 -1.9183e-01 -6.2667e-01 -5.7067e-01 -9.6662e-01 6.2151e-01 8.3592e-01 1.1166e+00 7.3340e-01 -9.2916e-01]","{OCCCCO>}","[-0.179 0.1763 0.0475 -0.0716 -0.2164 -0.6092 0.2142 0.3028 -0.2698 0.3896 0.4338 -0.4521 0.8938 0.0506 -0.0484 0.0122 0.9456 0.5291 -0.8871 -0.3407 1.1875 -0.3193 0.3481 -0.4548 0.2731 0.214 -0.2791 -0.2083 0.3488 0.0851 -0.1994 -0.3961 -0.2558 -0.2448 -0.3073 -0.5833 0.6532 0.0741 0.1546 -0.8174 -0.1517 0.536 -0.191 -0.3979 -0.3006 -0.4608 0.0573 -0.1177 0.3589 -0.4894 0.042 -0.5386 -0.0793 -0.1143 -0.6591 -0.3213 0.2124 0.0601 -1.4877 0.5073 -0.2735 -0.972 -0.9433 0.5828 -0.0927 -0.2292 -0.8343 -0.077 -0.3452 0.0281 0.206 -0.2028 -0.0648 -0.0944 0.6798 1.1548 -0.2891 0.7383 -0.18 -0.1719 -0.4278 0.7861 1.0374 0.8491 0.0879 -0.177 0.0881 0.5969 0.7822 -0.1269 0.3874 -0.5163 0.0399 -1.2707 0.1405 0.9572 -0.4345 0.4151 0.1446 0.4154 -0.3257 0.4485 -0.5215 -0.9117 0.9048 0.1496 -0.0027 0.1559 -0.4245 -0.2541 0.3483 0.1113 0.7408 0.6679 0.5754 0.7662 -0.6084 -0.2451 0.0025 0.2509 -0.6276 -0.8066 -0.163 -0.8507 0.792 -1.293 0.6348 -0.0881 0.1163 -0.1665 -0.4659 -0.6346 -0.2123 0.4827 -0.3323 1.0351 0.354 -0.235 0.2723 0.6261 -0.1421 -1.2769 0.5681 -0.0101 0.313 -0.6143 -0.075 -0.2907 -0.1736 -0.1684 -0.3687 -0.2416 -0.2539 -0.0795 0.5385 -0.0209 0.301 0.2247 0.1162 -0.5778 -0.413 0.6793 0.4263 -0.4393 0.0124 0.3747 0.5534 0.5531 -0.343 -0.174 -0.2087 -0.1856 0.2099 -0.0274 -0.4102 0.2142 -0.6947 0.0125 -0.7567 -0.5342 -0.3717 -0.2941 0.3006 -0.1201 -0.2066 0.0357 -0.2243 0.1265 -0.2011 -0.6172 -0.754 0.1515 0.0456 -0.5626 0.6544 -0.5221 0.1205 0.0361 -0.2695 0.4154 0.017 -0.3346 0.025 0.2272 0.362 -0.3743 0.3761 0.6104 0.6927 0.1345 0.8666 0.159 0.1574 0.2834 0.1039 -0.4545 0.3851 -1.482 -0.3127 0.2786 -0.0533 0.5424 1.0218 -0.0329 0.4671 0.441 -0.8027 0.5595 0.4286 0.3039 0.5151 -0.378 0.6775 -0.1907 -0.5108 0.1467 -0.1205 -0.0134 -0.08 0.3966 0.1257 0.4106 0.0167 -0.3324 -0.0899 -0.0629 -0.1489 -0.1742 -0.3581 -0.3212 0.0217 0.0747 0.3543 0.9148 0.3178 0.1649]" [*]OCCCOC(=O)c1ccc(C([*])=O)cc1,Poly(trimethylene terephthalate),*CCCOC(=O)c1ccc(C(=O)O*)cc1,326.075,GREA,325.15-327.0,"[325.15, 327.0]",2,1.308147545,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,17,1,2.488848142748564,0,4,6,1,0,1,52.6,0.0,0,0.0,206.0579088,4,11,11.57226284958428,6.4208216229260096,1.2,0,0,0,0,9,2,0,0,6,0.3529411764705882,6,2.488848142748564,0,4,6,1,0,1,52.6,0.0,0,0.0,206.0579088,4,11,11.57226284958428,6.4208216229260096,1.2,0,0,0,0,9,2,0,0,6,0.3529411764705882,6,Polyesters,Polyesters/thioesters,"[-1.1995 0.5559 -1.1817 -0.0438 -0.5572 -1.8437 0.3254 -0.9647 -0.5226 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-1.3445e-01 -7.8435e-01 -9.5828e-01 1.4431e-01 -4.4889e-01 -5.3280e-01 2.6313e-02 -1.9933e-01 -2.4129e-01 -2.5090e-01 -1.3195e-01 1.5325e-01 -2.0572e-01 -6.4124e-02 4.1594e-02 7.2373e-01 1.3570e-01 -3.0203e-01 3.6932e-01 8.6333e-01 7.0644e-01 4.2282e-01 3.9318e-01 -1.3429e-01 -1.5784e-01 5.1809e-01 2.5374e-01 -4.6874e-01 4.6099e-01 -1.5422e+00 -5.6420e-01 5.7260e-01 5.3926e-01 3.4088e-01 7.9228e-01 1.9505e-01 1.8254e-01 4.8144e-01 -9.4500e-01 2.2924e-01 8.7925e-01 3.4935e-01 3.9221e-01 -4.0015e-01 4.0872e-01 -6.5818e-01 -1.7045e-01 2.2793e-01 -2.8659e-02 -1.0770e-01 1.3874e-01 4.9000e-01 9.9957e-04 6.6685e-01 -3.1415e-01 -2.4563e-01 -1.8106e-01 7.7945e-02 -1.3221e-01 -1.1154e-02 -3.8348e-01 -5.5617e-01 3.1529e-01 1.3912e-01 -1.2522e-01 1.0563e+00 4.1566e-01 -3.1737e-01]" [*]OCCOC(=O)c1ccccc1C([*])=O,Poly(ethylene phthalate),*CCOC(=O)c1ccccc1C(=O)O*,333.325,GREA,297.0-369.65,"[369.65, 297.0]",2,51.37130765,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,16,1,2.7819882617767444,0,4,5,1,0,1,52.6,0.0,0,0.0,192.0422587,3,11,11.662958238851097,0.0,1.2857142857142858,0,0,0,0,8,2,0,0,6,0.375,6,2.7819882617767444,0,4,5,1,0,1,52.6,0.0,0,0.0,192.0422587,3,11,11.662958238851097,0.0,1.2857142857142858,0,0,0,0,8,2,0,0,6,0.375,6,Polyesters,Polyesters/thioesters,"[-1.4379e+00 -1.1228e+00 -1.9548e+00 -2.4629e-02 -5.4666e-01 -2.1941e+00 8.6981e-01 -3.1679e-01 -1.7672e-01 -2.6331e-03 1.4526e+00 -9.5534e-02 1.2464e+00 -1.9314e+00 6.5201e-02 1.4552e+00 1.4825e+00 1.0944e-01 -1.9094e+00 -3.9378e-01 8.0792e-01 2.5323e-01 1.6799e+00 -3.2335e-01 -4.5880e-01 -1.2091e+00 -2.7658e-01 4.0931e-01 -1.7130e-01 -6.7284e-01 -5.1846e-01 -2.0438e+00 7.5547e-02 -6.0815e-01 -1.9309e+00 -7.4321e-01 3.4612e-01 -1.4735e+00 8.6909e-01 -2.2895e-01 5.0218e-01 2.7838e-01 -9.5747e-01 -4.6560e-01 -6.0340e-01 1.3072e+00 3.9743e-01 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1.4975e-01 2.3668e+00 -1.5032e+00 5.3321e-01 1.0487e+00 6.4390e-01 -1.3463e+00 -1.4115e+00 1.2840e+00 -1.5983e-02 -5.2891e-01 -5.2485e-01 3.4992e-01 1.2948e+00 -8.1514e-01 -9.4272e-01 -1.7230e+00 4.9456e-01 -3.2313e-01 5.7158e-01 3.3865e-01 -1.1144e+00 1.0523e+00 1.4559e+00 5.2885e-01 -1.5995e+00 -1.1368e+00 1.6627e+00 -3.2870e-01 1.4111e+00 3.3059e-01 5.5147e-01 1.0889e+00 -2.4578e-01 6.9032e-01 -3.2842e-02 -5.0136e-01 -1.7689e+00 -3.7173e-01 1.2281e-02 2.0827e-01 4.4518e-02 -1.4620e+00 -5.9712e-01 -1.8049e+00 -8.4120e-01 -1.6429e+00 -1.5547e+00 -2.2273e-02 -8.1550e-01 -7.9734e-01 6.5671e-01 -1.4793e-01 1.1515e+00 4.9116e-01 -2.1165e+00 -8.6325e-01 -5.7839e-02 -1.4752e+00 -2.8152e+00 1.2405e+00 8.0482e-01 -2.3545e-01 6.6723e-01 -2.8899e-01 -3.7398e-01 1.3710e+00 -2.0273e+00 -5.1398e-01 1.5348e-01 7.8498e-01 -1.3305e-01 -4.7845e-01 9.4929e-01 4.1182e-01 4.1443e-02 7.4516e-01 2.2677e-01 7.1586e-02 8.2398e-01 6.4891e-01 -7.2469e-01 -4.5765e-01 -1.1675e+00 -1.5127e+00 8.3332e-01 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5.6682e-01 -4.2970e-02 4.3205e-01 9.2240e-01 -3.3815e-01 4.4354e-01 1.4718e-01 1.0181e+00 4.0935e-01 -9.6927e-01 3.2733e-01 -8.3488e-02 -2.1626e-02 7.4805e-01 1.9577e-01 1.1536e-01 6.3232e-01 3.5598e-01 1.2050e-01 3.7230e-01 -2.4605e-01 -1.9013e-01 -3.7767e-01 5.5337e-01 -8.5175e-01 -3.2928e-01 -2.8223e-01 -4.1124e-01 -3.7483e-01 -2.4102e-01 6.5063e-01 4.3553e-01 -5.0562e-02 -4.1877e-01]" [*]OCCOC([*])=O,Poly(ethylene carbonate),*CCOC(=O)O*,284.075,GREA,278.15-290.0,"[278.15, 290.0]",2,8.379215357,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,8,1,2.822354554248032,0,3,3,0,0,0,35.53,0.0,0,0.0,88.01604399,3,3,10.172310090702949,0.0,2.0,0,0,0,0,6,1,0,0,0,0.625,5,2.822354554248032,0,3,3,0,0,0,35.53,0.0,0,0.0,88.01604399,3,3,10.172310090702949,0.0,2.0,0,0,0,0,6,1,0,0,0,0.625,5,Polycarbonates,Polycarbonates/thiocarbonates,"[-7.5578e-01 2.4677e-01 -2.5003e+00 -4.1269e-01 -7.8737e-01 -1.9800e+00 1.7516e+00 -2.8537e-01 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560.15]",2,2.474873734,yellow,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,31,1,1.6877051087394028,0,7,3,5,0,5,87.37,0.4,2,33.04029760246969,382.0589714,0,29,13.069784437343962,0.0,0.6896551724137931,0,0,0,0,5,4,0,2,6,0.2903225806451613,9,1.6877051087394028,0,7,3,5,0,5,87.37,0.4,2,33.04029760246969,382.0589714,0,29,13.069784437343962,0.0,0.6896551724137931,0,0,0,0,5,4,0,2,6,0.2903225806451613,9,Polyimides,"Polyimides/thioimides, Polyoxides/ethers/acetals","[ 0.7265 -0.5166 -1.5448 1.1459 -0.149 -0.8413 0.9646 -1.1129 -0.8695 1.5396 1.3221 0.8179 -1.5859 -0.414 0.4357 -0.4969 0.2226 -0.0364 -0.9632 -1.6555 0.1704 -0.5641 1.6581 -0.4153 0.512 0.6253 1.7976 0.8343 -0.2701 -0.2818 -0.0236 -0.5892 0.283 0.0551 -0.5887 0.2331 2.2367 -1.5098 0.334 0.532 -0.3923 -0.4574 -0.2045 0.3102 -0.4399 0.9022 0.7738 -0.9196 -0.3453 1.4099 1.0275 -1.1005 0.1899 0.5066 -0.5323 -0.7039 0.2313 -0.9526 -0.5823 1.3839 -0.2545 -0.197 -0.9932 0.5668 0.7627 -0.2375 0.7523 0.4805 0.1945 -1.5114 -0.4918 -2.0007 0.3511 0.1928 1.1417 1.3887 -0.2561 -0.2609 -0.5213 -0.7195 0.2428 -0.1388 0.8303 0.5006 -0.6734 1.1267 -0.0283 0.034 -0.123 0.6887 -0.4459 -0.4575 0.8368 0.3142 -0.4884 0.5348 0.5435 -0.2489 0.2677 -0.592 -0.3058 0.7632 0.7777 0.5447 0.2445 -0.358 -1.6799 -0.0404 0.0116 -0.0051 0.4972 0.1737 1.3604 1.0319 0.1467 0.3781 0.3306 -0.1005 -0.7984 1.1935 -0.646 -0.6451 0.1338 -0.7626 -0.0489 -0.1145 0.5896 -0.4681 -0.1657 0.1503 -0.2614 -0.5428 -0.8026 -0.1782 -0.4035 0.8229 -1.0096 -0.1871 0.3088 1.1289 -0.3054 -0.2662 0.3625 -0.7778 -0.6288 -0.555 -0.0661 1.387 -1.622 -0.3188 -0.0433 1.0558 0.3744 0.0774 1.5285 0.4331 0.7417 0.2199 -1.1371 -0.8015 0.2072 0.7361 0.5111 0.5981 1.1195 -0.6752 -0.7304 1.0341 0.424 -1.9629 -0.9081 -0.0057 0.6655 0.0807 0.7212 0.6888 -0.2022 0.3214 -0.8912 0.1688 -0.5702 0.0591 0.7524 -0.1155 0.1118 0.5799 -0.7089 0.3725 -1.1129 -0.7284 0.9043 1.4598 -0.4265 -0.0552 0.3422 0.253 -1. 1.22 0.6915 -0.4936 -0.1398 0.7458 -0.5912 -0.5183 0.4685 -0.3833 -0.7092 0.4534 0.7332 -0.3293 0.7088 0.405 0.7802 0.3229 0.7272 -0.5553 -1.5018 -1.4546 -2.0277 -0.7702 -0.3829 0.9088 1.1649 1.2585 1.6387 0.1706 0.1983 -1.3988 0.2372 -0.2438 -1.3652 -0.549 0.8002 0.665 0.9593 1.1077 0.7737 2.0093 -0.4612 -0.2323 0.355 -0.039 -0.4239 1.0243 0.0776 2.1473 -1.1674 -0.026 -1.2981 -0.6031 -0.1279 2.3082 0.359 -0.1135 0.8614 -0.2774]",{},"[ 0.5879 -0.021 -0.2358 1.2626 0.248 -0.4124 1.1892 -0.9124 -0.4342 0.7513 0.4579 0.548 -0.7933 0.8153 0.0266 -0.1371 -0.1321 0.1862 -0.4317 -0.8879 0.0824 -0.1112 0.4532 -0.3437 -0.3309 0.1932 1.2999 0.1662 -0.0537 -0.2196 0.136 -0.2341 0.0668 0.3281 0.5186 0.2379 0.7041 -0.3107 0.3679 0.5548 0.0286 0.2673 0.076 -0.0166 -0.1876 -0.2531 0.685 -0.3956 -0.1856 0.9435 0.5256 -0.7295 -0.4259 0.6197 -0.404 -0.1115 0.2808 0.015 -0.4872 -0.1262 -0.8297 0.2849 -0.2087 -0.4192 0.4867 -0.0697 0.0818 0.0486 0.0373 -0.5385 0.0872 -0.4701 -0.5271 -0.1878 0.3486 1.1751 0.0885 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0.6667 0.0586 0.1265 -0.6176 0.2452 -0.1866 -0.5734 0.0661 -0.8517 0.3305 0.7633 1.0924 0.8169 -0.1796 -0.0476 -0.2967 -0.166 -0.2376 -1.1192 -0.5434 0.4495 0.4437 0.7373 0.6326 -0.0361 1.0908 0.0728 -0.009 0.0068 0.2483 0.3823 0.0694 -0.1785 0.3864 -0.5402 0.4569 -0.3351 -0.2626 0.0796 1.1651 0.2126 0.1949 0.6206 0.4615]" [*]c1nc(C(F)(F)C(F)(F)OC(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)C([*])(F)F)n1,Perfluoropolymer 2 ,[*]C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(=NC(C(F)(F)C(F)(F)OC(F)(F)F)=NC([*])=N1),254.5,Schrodinger,254.0-255.0,"[255.0, 254.0]",2,0.707106781,yellow,11,11.0,11,11,1,2.75,2.75,2.75,2.75,3.0,3,3,3,1,4.131128181158132,0,1,2,0,0,0,9.23,0.0,0,0.0,185.9915622,11,0,11.35011574074074,18.89639311357105,0.9090909090909092,7,7,0,0,10,0,0,0,0,0.7272727272727273,8,20,1,3.392776452706997,0,3,4,1,0,1,38.67,0.0,1,6.3273200747645415,279.00427279200005,12,6,13.479189814814816,24.19303224914292,0.9444444444444444,8,8,0,0,14,0,0,0,6,0.65,13,3.662470730659837,0,4,7,1,0,1,47.900000000000006,0.0,1,6.3273200747645415,462.9801849,23,6,13.971424083522296,42.58650978594937,0.6206896551724138,15,15,0,0,25,0,0,0,6,0.6774193548387096,21,Other class,Other class,"[-0.2818 -0.3389 0.1346 0.3751 1.1163 -0.1534 1.2954 -0.33 -2.203 -0.3087 0.6118 -1.2746 -0.8024 -0.4655 -0.8052 -2.1346 -0.7277 0.53 -0.443 -0.5282 0.7194 -0.0192 -0.0761 -0.1097 0.9479 -1.31 -0.2863 -0.4099 -0.0201 -0.3164 -0.0958 -0.5889 0.7345 0.1695 -0.3466 -0.6438 0.7954 -0.103 -0.633 0.5857 0.0093 -0.1294 -0.3288 0.3044 -1.6135 0.5942 -0.1467 -0.7299 0.8799 1.0316 0.0799 -0.2966 -1.1654 0.7449 1.0961 0.9296 0.1231 2.02 1.0396 1.4288 0.9308 1.8346 0.1899 -0.3189 0.1646 -1.2124 1.0426 -1.4419 1.1911 -1.1703 -0.8284 -1.5714 0.0338 0.9984 -0.5553 1.113 -0.2049 -0.0129 -0.161 -1.9124 0.8297 1.537 -0.3912 -1.0035 0.6539 1.3606 0.7108 1.1189 -0.3674 0.1851 0.1335 -0.9287 -1.8764 -1.1897 -0.3828 -0.3164 0.7117 -1.9555 1.5513 -1.9223 0.4371 -0.2295 -0.9011 0.597 0.5461 -0.9846 -0.6139 -0.3437 -0.2215 -1.2443 -1.2455 0.3738 1.2112 -1.8043 -1.2164 0.0859 -0.7273 -0.2456 1.7345 0.5931 -0.9048 -0.334 -1.6109 0.1252 0.4343 -0.4822 0.2926 -0.6573 -0.2651 0.3639 -0.9823 -1.0625 0.8982 -0.4492 -0.7299 0.3918 0.0819 -0.5853 -0.9541 0.4313 -1.1719 -0.6308 -0.5264 -0.3691 -1.1554 -0.378 -1.326 -0.6577 -1.5388 1.0497 1.2231 -0.5108 0.0457 -0.6273 0.49 0.4055 0.446 1.5171 0.4991 0.3645 -0.2912 -0.4095 1.0284 0.9357 -1.1293 0.224 -2.0925 -1.2116 1.2692 1.713 0.0278 0.2876 0.3669 1.3823 0.5459 -0.5139 1.5246 0.531 -1.478 -0.7378 -1.2886 -1.6469 0.2662 -0.9552 -0.1012 -2.81 1.0788 0.7252 -1.3487 -1.5996 0.4555 -0.2158 1.5329 1.5126 -0.3476 1.9722 0.1901 0.6363 -0.0414 -0.633 -0.6337 -1.1215 0.1443 0.1237 0.789 0.8265 -0.335 0.1429 1.4079 1.3848 0.1926 -0.294 0.2369 1.0518 -0.1105 1.7656 -1.0803 -0.2302 0.9143 -0.4701 -0.0939 0.0818 0.1335 1.2184 0.4872 0.8493 -0.0672 -1.3934 -0.1948 0.8286 -0.0474 -0.0383 -0.1792 1.3085 0.0125 0.8926 0.5423 -0.8364 0.3592 1.4776 1.3217 0.4545 -0.8933 1.9654 -0.1234 -0.1784 0.5848 -0.7308 -0.3259 -0.2489 -0.1426 1.3783 0.1963 0.3315 0.3612 -1.1074]",{},"[-0.0832 -0.1226 -0.2751 0.3163 0.116 0.2934 0.8378 0.3556 -0.6993 -0.1715 0.4263 -0.8561 0.0086 -0.2341 0.421 -0.8652 -0.1318 0.0027 0.1603 0.3287 0.2638 0.34 0.3384 0.1637 0.6503 -0.1742 -0.3527 0.0327 0.5406 0.4814 0.3102 0.7012 -0.3804 0.4583 0.1064 -0.3497 0.3936 0.3187 -0.6906 0.2093 -0.2532 -0.0779 0.0302 0.2827 0.0279 -0.0121 -0.0171 -0.2693 -0.1946 0.1347 0.3522 0.0125 -0.8024 0.7915 -0.0792 -0.0999 0.2551 0.5032 0.4733 0.235 -0.2402 -0.0308 -0.0223 0.0079 0.1203 -0.049 0.4027 -0.2978 0.3787 -0.2605 -0.1654 -0.5526 0.1536 0.3217 0.0585 0.0584 0.2966 -0.0047 -0.3332 -0.41 0.8234 0.581 0.0231 0.1605 0.0746 0.6658 0.4685 0.2005 -0.1894 -0.3456 -0.2705 -0.5126 -0.3477 -0.9208 -0.1183 -0.1601 0.3024 -0.643 0.3246 -0.4345 0.7797 -0.6938 -0.3691 0.1733 0.4952 -0.2039 0.2804 -0.1945 0.2197 -0.4374 -0.3582 0.4533 0.5548 -0.1426 -0.5898 -0.0572 -0.1749 -0.2858 0.6508 0.2621 -0.1012 -0.3261 -0.9874 0.1346 0.5598 -0.3779 -0.0883 -0.0508 -0.3728 0.3342 0.0448 -0.2488 0.7756 0.0222 -0.1479 0.456 0.3666 -0.161 -0.2928 0.0141 -0.3518 -0.2519 0.0415 0.1457 -0.5032 -0.0705 -0.0637 -0.1919 -0.7415 0.3823 0.6871 -0.1349 -0.6056 0.352 -0.1459 -0.1105 0.0865 0.2625 0.3257 0.8161 0.1739 -0.5147 -0.0053 -0.2887 -0.4971 0.0841 -0.5056 -0.3288 0.1961 0.4766 -0.1765 0.5292 0.2133 -0.0464 0.5128 -0.0684 0.1692 0.2187 -0.7168 -0.435 -0.2427 -0.591 0.2187 -0.6379 0.2443 -1.1535 0.5506 -0.2714 -0.6702 -0.2905 0.0169 -0.0764 0.168 1.0519 -0.3147 0.3691 0.2047 -0.0142 0.0035 0.0356 -0.23 -0.5354 0.4481 0.1043 0.5627 -0.013 -0.0224 0.3497 0.4176 0.7772 0.315 -0.8765 -0.0857 0.6429 0.0036 0.0414 -0.4787 0.1903 -0.153 -0.5251 -0.0502 0.094 0.0714 0.281 0.4119 0.0556 -0.1159 -0.6004 0.0775 0.3382 -0.0799 0.4165 -0.1905 0.2494 0.071 -0.0849 -0.1283 -0.3606 0.0944 0.2756 0.6906 -0.0244 -0.2952 0.6102 0.0983 -0.1013 -0.0713 -0.1933 -0.0734 0.134 -0.3629 0.597 -0.6411 0.0493 0.4812 0.2251]" [*]c1nc(C(F)(F)F)nc(C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC([*])(F)C(F)(F)F)C(F)(F)F)n1,Perfluoropolymer 1,[*]C(F)(C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C1(=NC(C(F)(F)F)=NC([*])=N1),259.5,Schrodinger,259.0-260.0,"[260.0, 259.0]",2,0.707106781,yellow,12,4.0,4,4,3,1.2666666666666666,0.8,2.0,3.8,2.6666666666666665,1,4,8,1,6.971370023,0,0,0,0,0,0,0.0,0.0,0,0.0,210.0091041,12,0,29.0,20.03764228262427,3.0,9,9,0,0,9,0,0,0,0,2.25,9,32,1,3.381239312962716,0,5,10,1,0,1,57.13000000000001,0.0,1,6.3273200747645415,475.0001714,24,6,13.67667675225508,49.12568274270029,0.7333333333333333,14,14,0,0,26,0,0,0,6,0.65625,21,3.823207479250642,0,5,10,1,0,1,57.13000000000001,0.0,1,6.3273200747645415,678.9623253,36,6,14.695907124155903,66.64874714150149,0.4523809523809524,23,23,0,0,38,0,0,0,6,0.6818181818181818,30,Other class,Other class,"[-3.5126e-01 2.7406e-02 1.9810e-01 3.6655e-01 4.1729e-01 -6.5887e-03 9.1789e-01 -2.9391e-01 -1.9431e+00 -4.6321e-01 -7.0853e-02 -1.3143e+00 -5.4253e-01 -1.1237e+00 -1.2558e+00 -1.5483e+00 -1.4607e+00 4.2148e-02 -4.4203e-01 5.5216e-02 5.5704e-01 -2.2384e-01 -4.5733e-01 1.2468e+00 1.1951e+00 -1.0972e+00 -5.1949e-01 -3.9102e-01 -2.0173e-01 -4.5844e-01 -5.5596e-03 -8.9742e-01 3.2061e-01 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558.15]",3,4.932882862,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,40,1,1.294041108465649,0,6,5,6,2,4,108.9,0.3333333333333333,2,15.866186530162564,498.0851862,0,38,13.425487664430388,0.0,0.5263157894736842,0,0,0,0,15,6,0,2,6,0.25,10,1.294041108465649,0,6,5,6,2,4,108.9,0.3333333333333333,2,15.866186530162564,498.0851862,0,38,13.425487664430388,0.0,0.5263157894736842,0,0,0,0,15,6,0,2,6,0.25,10,Polyimides,"Polyimides/thioimides, Polyketones/thioketones","[ 0.1276 -0.7109 -0.8071 0.6833 -0.8104 -0.8794 1.0131 -0.9782 -1.0531 -0.6308 1.1465 0.274 -0.6568 -1.1298 -0.1444 0.0613 -0.4592 -0.0305 -1.6071 -0.3718 -0.033 -0.7052 0.9257 1.1552 -0.1669 -0.2159 0.4515 1.2134 -0.1454 -0.8551 -0.0885 -0.7202 0.9215 0.053 -1.4033 -0.5371 0.8544 -1.1264 -0.5123 0.5267 0.1938 -0.9589 -0.6535 0.5437 -0.6089 0.7168 0.957 -0.3129 -0.1734 1.3306 1.8013 -0.9626 -0.2987 0.5107 1.3291 -0.9164 0.9344 -0.0279 -1.6344 2.0625 -0.0345 0.2147 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418.0]",3,1.338220211,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,24,1,1.653095015852341,0,3,5,3,0,3,35.53,0.0,0,15.540092976061707,288.0786442,0,22,11.380959743188006,0.0,0.6818181818181818,0,0,0,0,7,1,0,0,6,0.2083333333333333,5,1.653095015852341,0,3,5,3,0,3,35.53,0.0,0,15.540092976061707,288.0786442,0,22,11.380959743188006,0.0,0.6818181818181818,0,0,0,0,7,1,0,0,6,0.2083333333333333,5,Polyoxides,"Polyoxides/ethers/acetals, Polyketones/thioketones","[-1.9581e-01 6.2295e-01 -1.9779e+00 3.9258e-01 8.5598e-01 -1.6366e-01 4.8524e-01 -4.4587e-01 -8.8976e-01 1.4458e+00 1.5249e+00 -3.4991e-01 -3.8730e-01 -8.0843e-01 -4.5995e-01 -5.9483e-01 1.2383e+00 3.4110e-01 4.4045e-01 -1.6220e+00 1.0808e+00 -8.6361e-01 1.9538e+00 -1.0074e-01 -1.1290e-01 -1.1870e-01 1.1517e+00 -5.3394e-01 -2.0317e+00 2.6619e-01 -1.2217e+00 -5.8001e-02 1.3512e+00 1.3223e-01 -2.1478e+00 -9.7561e-01 1.1998e+00 -4.9687e-01 -4.6484e-01 2.0980e-02 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379.0]",3,0.625166644,gold,7,7.0,7,7,1,3.5,3.5,3.5,3.5,1.0,1,1,1,1,3.336809769016681,0,2,1,0,0,0,26.3,0.0,0,0.0,102.0680796,4,3,9.598263888888887,26.37226241005556,1.4285714285714286,0,0,0,0,5,1,0,0,0,0.2857142857142857,2,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,4.234261264386072,0,2,2,0,0,0,26.3,0.0,0,0.0,142.0993797,7,3,11.59173611111111,46.13764285559819,1.6,0,0,0,0,10,1,0,0,0,0.3333333333333333,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-3.1349e-01 5.8335e-01 9.5676e-01 -2.0331e-01 -5.8058e-01 -3.9403e-01 1.1693e+00 -1.1330e-02 3.0751e-01 1.2135e+00 1.0608e+00 -8.8171e-01 -6.6841e-01 9.7154e-02 -1.9000e-01 4.2145e-02 1.0439e+00 9.8555e-02 -7.7936e-01 -1.2354e+00 2.5718e-01 1.8805e-01 1.9807e-01 -6.5950e-02 -6.1800e-01 -2.1518e-01 -3.8905e-01 -2.3322e-01 6.0259e-01 1.1583e+00 -4.5304e-01 -6.1060e-01 -9.1703e-02 -9.5644e-01 -1.7967e+00 6.5990e-01 -5.0739e-01 -1.0363e+00 2.8880e-01 -9.0075e-02 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-3.9709e-01 2.3129e-01 1.0654e+00 3.7736e-01 -2.5580e-01 3.7185e-01 4.3543e-01 -1.9924e-01 6.3685e-02 8.0718e-01 4.6981e-01 3.9119e-01 -2.9912e-01 -1.6669e-02 -4.9124e-02 4.9333e-01 -7.7291e-01 -5.0363e-01 7.7148e-01 8.0614e-01 2.5644e-01 3.2239e-01 1.0646e+00 -5.6191e-01 -3.0182e-02 3.4425e-01 -4.9648e-01 4.6396e-01 1.6266e-01 -5.3306e-01 4.3919e-01 -2.0962e-01 3.8573e-01 4.2302e-01 -5.4635e-01 -1.6246e-01 -3.4836e-01 9.4425e-01 7.0563e-01 5.1570e-01 3.1308e-01 -2.5259e-02]" [*]CC([*])(C)C(=O)OC(C)CC,Poly(sec-butyl methacrylate),*CC(*)(C)C(=O)OC(C)CC,330.0,GREA,328.0-333.15,"[333.15, 330.0, 328.0]",3,2.596311486,gold,7,7.0,7,7,1,3.5,3.5,3.5,3.5,1.0,1,1,1,1,2.9804413212987457,0,2,3,0,0,0,26.3,0.0,0,0.0,102.0680796,4,3,9.551944444444445,26.37226241005556,1.8571428571428568,0,0,0,0,5,1,0,0,0,0.2857142857142857,2,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,4.034132633373443,0,2,4,0,0,0,26.3,0.0,0,0.0,142.0993797,7,3,11.545416666666666,46.13764286,2.0,0,0,0,0,10,1,0,0,0,0.3333333333333333,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-5.8714e-01 2.5805e-01 1.1998e+00 -3.0054e-01 -7.9619e-01 6.1293e-02 2.0869e-01 -1.6429e-01 6.5041e-01 9.9410e-01 8.9089e-01 5.3567e-01 2.9811e-01 -6.4610e-03 3.5096e-01 2.6490e-01 1.3398e+00 -2.5378e-01 2.3818e-01 -5.7132e-01 6.9849e-01 -4.3298e-01 -1.8968e-01 -7.3472e-01 -1.2622e+00 3.1823e-01 3.4120e-01 3.0563e-01 7.8905e-01 -2.5096e-01 -4.6113e-01 -3.5057e-01 2.5051e-01 2.5394e-01 -1.7454e+00 -8.8777e-03 -8.0376e-02 -1.2946e+00 4.6740e-01 -9.0727e-01 2.4615e-01 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7.3124e-01 3.0608e-01 -8.9150e-02 1.1268e-01 2.9050e-01 9.0966e-02 5.7877e-02 9.4761e-01 7.9380e-01 3.2144e-01 -1.4174e-01 9.8661e-02 -1.1187e-01 3.2408e-01 -5.1188e-01 -3.5568e-01 7.5467e-01 5.9156e-01 2.5233e-01 6.7700e-02 7.8307e-01 -2.4855e-01 -2.9489e-01 5.8084e-02 -3.9518e-01 3.0022e-01 7.2002e-01 -4.6423e-01 6.2203e-01 -1.4844e-01 3.7962e-01 3.2678e-01 -4.8576e-01 -2.9305e-01 -1.7944e-01 1.6149e-01 5.4968e-01 4.6008e-01 1.9694e-01 -3.8610e-01]" [*]CC([*])(C)C(=O)OCC,Poly(1-(Diethylamino)ethyl methacrylate),*CC(*)(C)C(=O)OCC,293.0,GREA,291.0-339.15,"[339.15, 293.0, 291.0]",3,27.24042645,gold,5,5.0,5,5,1,2.5,2.5,2.5,2.5,1.0,1,1,1,1,2.4017152226171965,0,2,2,0,0,0,26.3,0.0,0,0.0,74.03677943,2,3,9.182638888888889,6.923737199690624,2.0,0,0,0,0,3,1,0,0,0,0.4,2,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,3.9138693991816593,0,2,3,0,0,0,26.3,0.0,0,0.0,114.0680796,5,3,11.176111111111112,26.689117645233264,2.125,0,0,0,0,8,1,0,0,0,0.4,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-8.2918e-01 8.4733e-01 1.1057e+00 -4.1568e-01 -1.2310e+00 -1.9611e-01 4.1003e-01 -1.0149e+00 1.0399e+00 1.5184e+00 9.5578e-01 -4.0460e-01 5.0938e-02 2.4216e-01 7.2592e-01 9.4616e-01 1.6065e+00 2.4926e-01 -6.4464e-01 -8.8417e-01 1.3431e+00 -9.2440e-01 -9.3515e-02 -1.3413e+00 -1.3335e+00 8.9136e-01 6.6061e-01 4.7270e-01 7.3886e-01 -7.7067e-02 -5.8562e-01 -7.9481e-01 2.1745e-01 -1.5669e-01 -2.0792e+00 3.5683e-01 9.9527e-01 -1.0691e+00 1.1307e+00 -9.0735e-01 -1.1961e-01 -1.3565e+00 6.6218e-01 8.0069e-01 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-1.6919e-02 2.6794e-01 9.3639e-02 -3.9087e-01 -1.0165e+00 3.7296e-02 6.0291e-01 4.2310e-01 1.0059e+00 -3.3158e-01 -1.7300e-01 5.0435e-01 -8.8802e-01 -1.1257e-01 5.8815e-01 3.6489e-01 3.5917e-01 -2.9148e-02 -1.6087e-01 9.8004e-01 2.2363e-01 6.0748e-01 3.1732e-01 -6.4256e-01 4.2133e-01 3.6501e-01 -8.6463e-01 3.4977e-01 7.2552e-01 -2.0363e-01 -4.4235e-01 -5.3047e-01 -1.4995e-01 5.9994e-01 4.8357e-01 2.5985e-01 1.6094e+00 -3.8152e-01 -4.8301e-01 5.0653e-01 -1.7941e-01 -3.0090e-01 1.9166e-02 6.5759e-01 -5.4792e-01 -4.2281e-01 -3.9312e-01 4.7790e-01 -5.2430e-02 2.0949e-01 3.2455e-01 -1.2090e+00 2.6513e-01 -6.9154e-01 4.9180e-01 4.9355e-02 -3.0369e-01 4.0521e-01 -3.2025e-01 3.5747e-01 -1.6710e-01 3.3686e-01 -4.6226e-01 -1.6848e-01 -9.5140e-02 7.1902e-01 -1.0503e-01 2.3755e-01 -1.2555e+00 3.7182e-01 -1.2901e-01 -5.8425e-01 6.6176e-01 5.6571e-01 4.5115e-01 -1.3889e-01 -3.6593e-01 -7.5414e-01 -2.8362e-01 4.6954e-01 5.7119e-01 6.9831e-02 -6.3906e-01 1.1688e+00 -1.2235e+00 -6.6548e-01 7.0470e-01 8.0856e-01 -5.3186e-01 -4.4082e-02 5.2807e-01 2.4494e-01 -1.6944e-01 -2.3577e-01 6.7576e-01 -1.3851e-01 2.2513e-01 -1.9298e-01 -5.6556e-01 5.8080e-01 -7.9967e-02 -2.7172e-01 1.8579e-01 1.1503e+00 5.5770e-01 -6.8128e-01 -8.0151e-01 -3.2928e-01 6.9603e-01 8.1033e-01 -9.6297e-01 -1.6743e-01 5.4511e-01 -2.7640e-01 5.0806e-01 -4.5653e-01 -7.1870e-01 6.8399e-01 -2.3013e-01 8.4103e-01 1.0757e+00 9.4579e-01 -4.1666e-01]" [*]CC([*])(C)C(=O)OCC(C)(C)C,Poly(neopentyl methacrylate) ,*CC(*)(C)C(=O)OCC(C)(C)C,306.0,GREA,304.0-311.15,"[311.15, 306.0, 304.0]",3,3.688834504,gold,8,8.0,8,8,1,4.0,4.0,4.0,4.0,1.0,1,1,1,1,3.239280745266341,0,2,2,0,0,0,26.3,0.0,0,0.0,116.0837296,5,3,9.629305555555556,20.771211599071872,1.5,0,0,0,0,6,1,0,0,0,0.25,2,5,1,2.5395388613593908,0,0,1,0,0,0,0.0,0.0,0,0.0,42.04695019,3,0,2.395833333333333,20.268296022307258,3.0,0,0,0,0,4,0,0,0,0,0.4,2,4.029938861215426,0,2,3,0,0,0,26.3,0.0,0,0.0,156.1150298,8,3,11.62277777777778,40.53659204461451,1.5454545454545454,0,0,0,0,11,1,0,0,0,0.3076923076923077,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-2.5981e-01 3.8425e-01 1.4078e+00 -9.9926e-03 -1.2399e+00 3.3215e-01 3.7656e-01 -2.3378e-01 -6.0318e-02 1.3002e+00 1.0732e+00 -9.0889e-01 -2.9471e-01 -7.0078e-03 9.4764e-02 2.3584e-01 1.0583e+00 -4.9564e-01 -8.0091e-01 -1.2798e+00 1.2081e-01 -4.9819e-01 -8.8659e-02 -2.1166e-01 -6.0579e-01 4.7773e-01 -5.2694e-01 -2.4715e-01 5.6348e-01 5.7190e-01 3.1032e-01 -6.1874e-02 2.6867e-02 -7.3289e-01 -1.6773e+00 1.2821e+00 -4.0637e-01 -1.8005e+00 8.7611e-01 -9.2761e-01 4.3702e-02 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8.4936e-02 2.8853e-01 6.6951e-01 3.6611e-01 -1.3008e-01 1.5036e-01 1.9032e-01 -1.8373e-01 -5.7385e-02 -2.1380e-01 2.8380e-01 6.4198e-02 -3.8054e-02 -3.1924e-01 -9.5571e-02 -9.7453e-02 -3.4620e-01 -1.9553e-01 -3.6479e-01 2.3966e-01 6.1966e-01 -6.8229e-01 8.3813e-02 3.3894e-01 -1.7435e-01 6.7239e-01 -5.4314e-01 4.8328e-02 -1.8182e-01 -2.6436e-01 2.2673e-02 5.3770e-01 -2.5124e-01 1.0993e-01]" [*]CC([*])(C)C(=O)OCCC,Poly(n-propyl methacrylate) ,*CC(*)(C)C(=O)OCCC,308.0,GREA,306.0-316.15,"[316.15, 308.0, 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9.5276e-01 -1.8732e-01 -1.0386e-01 4.7496e-01 2.0291e-01 3.3712e-01 5.8760e-02 5.7401e-01 1.0280e+00 2.8812e-01 2.5295e-01 1.9620e-01 2.8426e-01 4.3175e-01 -1.9614e-01 -5.8227e-01 1.1009e+00 3.4777e-01 -3.9314e-02 2.7672e-01 9.6422e-01 -1.0732e-01 -4.4271e-02 4.8103e-01 -5.6292e-01 4.1630e-01 3.5534e-01 -4.2627e-01 3.7089e-01 2.5705e-01 3.4892e-01 -4.7268e-02 -5.5026e-01 -4.0929e-01 3.6548e-01 4.9798e-01 5.3225e-01 1.8407e-01 5.8464e-01 4.9221e-03]" [*]CC([*])(C)c1ccccc1,poly(alpha-methylstyrene),*CC(*)(C)c1ccccc1,441.15,GREA,193.0-446.0,"[441.15, 193.0, 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378.0]",3,7.294347126,gold,3,3.0,3,3,1,1.5,1.5,1.5,1.5,1.0,1,1,1,1,2.1874960973678963,1,1,0,0,0,0,37.3,0.0,0,0.0,46.0054793,0,3,8.361111111,0.0,2.0,0,0,0,0,1,1,0,0,0,0.6666666666666666,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,3.343417059,1,1,2,0,0,0,37.3,0.0,0,0.0,72.02112937,2,3,10.032824074074076,13.344558822616634,2.6,0,0,0,0,5,1,0,0,0,0.5714285714285714,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-1.2905e+00 -3.3453e-01 -1.2373e+00 -3.2866e-01 -7.4858e-02 -1.1292e+00 1.6081e-01 -1.5849e+00 1.2888e+00 2.0318e-01 3.5896e-02 1.4566e+00 6.3257e-01 -3.5224e-01 -5.0758e-01 1.3294e+00 1.5887e+00 2.7097e-01 -1.5561e+00 -8.3697e-01 1.3054e+00 5.8449e-01 3.4954e-01 -9.4812e-01 1.5478e-01 -1.4121e+00 4.7757e-01 3.4887e-01 8.6506e-01 2.5811e-01 -5.0505e-01 -1.7358e+00 7.4486e-01 -3.2809e-01 -1.2092e+00 -6.9433e-01 1.3372e+00 -1.1754e+00 1.1640e+00 -2.4025e-01 -1.4928e-01 -6.2696e-01 -8.9826e-01 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5.5878e-01 -8.6084e-01 -4.2891e-01 2.2316e-01 5.7400e-01 5.9540e-01 -9.1467e-02 -4.0220e-01 3.0149e-01 -2.6992e-01 -3.2772e-01 -6.9259e-01 6.2886e-01 -3.5492e-01 -1.7062e-01 -1.2919e+00 -6.3639e-01 5.1085e-01 -1.4741e-01 2.2969e-02 2.4298e-01 3.0118e-01 -6.7924e-01 -4.2195e-01 3.7321e-01 -3.3189e-01 1.6147e-01 -4.5552e-01 -4.0728e-02 -1.2424e-01 3.2299e-01 7.4388e-02 -8.4520e-01 2.0160e-01 -5.9493e-02 -7.0768e-01 9.2473e-02 6.9646e-01 -5.7690e-03 1.1775e+00 4.9472e-01 -2.3253e-01 -2.5962e-01 -2.0750e-01 -3.7946e-01 -1.7200e-01 -2.7820e-01 -2.9726e-01 -2.3695e-01 -2.5488e-01 5.3834e-01 7.6278e-02 -1.3619e-01 -2.6128e-01 -1.2567e-01 -3.3678e-01 -5.8384e-01 -1.3141e-01 1.0170e+00 -1.9714e-01 2.7928e-01 -5.6615e-01 3.3138e-01 -1.0964e+00 5.6140e-01 -1.5326e+00 -5.6872e-01 5.6059e-01 -5.7463e-01 -6.7808e-01 3.1797e-01 -9.3872e-02 4.7330e-01 -2.8684e-01 3.5924e-01 -2.7483e-02 3.9811e-01 1.5880e-02 -4.8531e-02 -3.0974e-01 -5.0362e-01 -1.7747e-01 5.6723e-01 -1.6824e-01 2.7274e-01 5.2951e-02 8.0569e-01 -6.0265e-01 -5.6024e-01 -8.6184e-02 1.4518e-01 2.7167e-01 2.6966e-01 1.0070e+00 4.9784e-01 1.2604e-01 6.7707e-01 -8.3557e-01 1.8696e-01 -6.8533e-01 -5.4801e-01 -8.8938e-02 2.8266e-01 5.0173e-01 -6.4072e-01 -7.9218e-01 1.3584e-01 -3.9748e-01 9.6233e-01 3.6367e-01 -3.6306e-01 8.9654e-01 7.9709e-01 -1.1222e+00 -6.5629e-02 6.5422e-01 5.1503e-01 -1.8477e-01 -1.3106e+00 1.6839e-01 -6.9820e-01 2.6881e-01 4.7358e-01 1.0605e+00 1.3644e-01 2.1781e-02]" [*]CC([*])C(=O)OC,Poly(methyl acrylate) ,*CC(*)C(=O)OC,282.0,GREA,279.0-283.15,"[283.15, 281.0, 283.0, 279.0]",4,1.9550682,gold,4,4.0,4,4,1,2.0,2.0,2.0,2.0,1.0,1,1,1,1,2.2968352619191394,0,2,1,0,0,0,26.3,0.0,0,0.0,60.02112937,1,3,8.951388889,0.0,2.0,0,0,0,0,2,1,0,0,0,0.5,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,3.459728671545819,0,2,2,0,0,0,26.3,0.0,0,0.0,86.03677943,3,3,10.623101851851851,13.344558822616634,2.5,0,0,0,0,6,1,0,0,0,0.5,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-7.7870e-01 -1.5585e-02 9.5045e-02 3.9675e-01 -1.4705e-01 -9.2123e-01 5.3902e-01 -1.5112e+00 1.9025e+00 7.7446e-01 -9.5724e-02 1.0034e-01 3.0835e-01 -2.1599e-01 7.0566e-02 4.9107e-01 1.3650e+00 2.0460e-02 -1.0305e+00 -9.3122e-01 1.1103e+00 -4.5725e-01 7.4595e-01 -5.6373e-01 -7.6447e-01 -1.0718e+00 8.5561e-01 3.6822e-01 2.3051e-01 3.5075e-02 -1.1538e+00 -1.1539e+00 2.5278e-01 2.6627e-01 -1.3242e+00 -1.0464e-01 1.2321e+00 -5.8291e-01 8.2241e-01 -6.0734e-01 -4.2145e-01 -1.0043e+00 4.9256e-01 -5.3918e-02 -1.0590e+00 1.5831e+00 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5.4286e-01 5.2923e-01 9.4779e-01 1.2977e-01 1.5633e+00 9.5493e-01 -7.2384e-01 3.6233e-01 8.5467e-04 7.1041e-02 -1.6112e+00 -5.3229e-01 -1.3174e+00 8.7675e-01 -3.6518e-01 -8.0326e-01 -1.5015e-01 1.7837e+00 -4.1034e-01 4.7916e-01 6.1739e-01 -1.3836e-02 8.4002e-01 3.7225e-01 2.4778e-01 -3.6696e-01 1.4760e+00 -7.6219e-02 1.7024e-01 -2.0221e+00 -2.3914e-01 -4.2980e-03 1.7339e-01 9.4980e-01 1.4592e+00 -1.6964e-01 -4.7728e-01]",{$CC(C(=O)OC)$},"[ 7.4886e-02 -1.5540e-01 1.2754e-01 5.3471e-01 6.9830e-01 -6.8029e-01 2.9589e-01 -2.7149e-01 -7.8728e-04 3.1305e-01 -1.9650e-01 -6.3699e-01 1.5369e-01 -3.5347e-01 -3.4900e-01 2.5587e-01 8.0529e-01 7.6462e-01 -1.5019e+00 -7.0199e-01 2.9265e-01 -1.0906e-01 5.1159e-01 -3.9428e-02 -6.4448e-02 -1.0176e+00 7.5754e-01 -5.9766e-01 -4.3803e-01 -2.8854e-01 -8.0434e-01 -6.6618e-01 -1.9010e-01 -2.2005e-01 -6.3864e-01 -3.1077e-02 1.3886e+00 5.0518e-02 8.5497e-01 -4.8757e-01 -8.0819e-01 3.2396e-02 8.7101e-02 -7.2459e-01 -9.5761e-01 1.5010e+00 -9.0153e-01 -8.2992e-01 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2.3799e-01 -8.4907e-02 2.2706e-01 7.6418e-01 3.4359e-01 -2.3303e-01 6.6609e-01 5.6366e-02 4.1044e-01 -9.1024e-01 -8.6341e-01 -3.7064e-01 9.0970e-01 -2.8848e-02 -6.0983e-01 -4.0740e-01 9.0933e-01 -1.6785e-01 3.0822e-01 -4.8792e-01 -1.8844e-01 6.6851e-01 7.0948e-01 -8.4895e-01 -7.4113e-01 6.1480e-01 1.6559e-01 4.1556e-01 -1.1440e+00 1.3577e-01 -2.8465e-01 2.5690e-01 8.1281e-01 1.3231e+00 9.1383e-01 9.4472e-02]" [*]CC([*])C(=O)OC(C)(C)C,Poly(t-butyl acrylate),*CC(*)C(=O)OC(C)(C)C,314.0,GREA,313.15-315.0,"[313.15, 315.0, 314.0]",3,0.926012959,gold,7,7.0,7,7,1,3.5,3.5,3.5,3.5,1.0,1,1,1,1,3.336809769016681,0,2,1,0,0,0,26.3,0.0,0,0.0,102.0680796,4,3,9.598263888888887,26.37226241005556,1.4285714285714286,0,0,0,0,5,1,0,0,0,0.2857142857142857,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,3.880008135544113,0,2,2,0,0,0,26.3,0.0,0,0.0,128.0837296,6,3,11.269976851851853,39.71682123267219,1.8888888888888888,0,0,0,0,9,1,0,0,0,0.3636363636363636,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-3.5468e-02 3.0683e-01 3.5624e-01 7.6421e-02 3.6673e-02 -5.7996e-01 7.9798e-01 -4.3194e-01 8.4534e-01 4.9494e-01 1.9866e-01 -2.6258e-01 4.8284e-01 -3.0898e-01 -1.2543e-01 2.1126e-01 1.2884e+00 -7.1262e-01 -8.1551e-01 -1.0879e+00 7.5729e-02 -4.4081e-02 6.5986e-02 -3.1430e-01 -4.6787e-01 -1.1075e+00 -8.0693e-01 -1.3363e-01 7.2583e-01 8.8274e-01 -8.2610e-02 -4.4941e-01 1.7050e-01 -5.1530e-01 -9.6231e-01 2.9102e-01 2.6215e-01 -9.1809e-01 -3.2922e-02 -6.9788e-01 2.0811e-01 -7.9600e-01 1.7143e-01 3.8760e-01 -5.5358e-01 1.4173e+00 -9.1644e-01 -9.8143e-01 -1.9370e-01 -1.3077e+00 -2.0952e-01 1.4097e+00 1.1535e-01 1.2657e+00 6.1299e-01 7.9061e-01 1.1605e-01 4.1054e-02 -1.6130e+00 1.8770e+00 1.1375e+00 -2.5336e-01 2.4150e-02 4.2412e-01 -2.5987e-02 -1.6870e+00 7.7303e-01 -8.4008e-02 1.5839e+00 -1.4970e-01 4.8190e-01 -1.6827e-01 1.1925e+00 -2.2106e-01 -4.5750e-01 1.5377e+00 -7.6546e-01 -5.0474e-01 -6.9188e-01 -3.4054e-01 -3.2847e-01 1.9874e+00 1.9885e-01 3.9170e-01 -1.2375e+00 -1.3484e+00 3.5534e-01 1.5995e-01 1.6032e-01 -5.4775e-01 -3.6842e-01 -1.2842e+00 -8.7918e-01 -1.1877e+00 -1.1302e-01 -1.7045e-01 -3.7133e-01 -7.1258e-03 -1.9484e-01 -4.1334e-01 -3.8320e-01 1.2328e+00 -8.7064e-01 -3.1127e-01 -5.9191e-02 -1.7420e-01 -2.1997e-01 2.3081e-01 -4.9190e-01 6.5629e-01 2.7483e-01 2.4549e+00 4.1939e-01 -3.2592e-01 9.1803e-01 5.3671e-01 3.4816e-01 -2.8744e-01 1.0076e+00 6.7730e-01 2.1596e-01 4.3043e-01 -7.4327e-01 -8.0801e-01 -9.9935e-01 -1.0733e+00 1.0187e+00 -6.4249e-01 -6.4982e-01 -1.7040e+00 -1.0092e+00 -1.2894e-01 -7.8931e-01 5.6175e-01 1.4069e-01 -1.1935e-01 -2.1942e-01 2.2584e-01 2.3693e-01 -3.4568e-01 -3.5974e-01 -2.4481e-01 4.7782e-01 7.7519e-01 -4.0748e-01 -1.0378e+00 6.5037e-01 5.3029e-01 6.0577e-01 -2.3798e-01 -4.9037e-01 -1.5622e+00 8.0596e-01 -1.2087e+00 9.5433e-01 -1.1780e-01 2.1178e-01 8.1776e-01 1.7619e+00 1.6913e-01 -1.7787e-01 2.8358e-01 -9.9201e-01 3.0507e-01 -8.2309e-01 5.8934e-01 1.1927e+00 -1.0075e+00 5.5049e-01 1.4450e+00 6.0129e-01 -1.0125e+00 2.4146e-01 8.8917e-01 2.2262e-01 -9.8211e-01 6.4965e-01 -7.8299e-01 -4.4133e-01 -7.7696e-01 1.8862e+00 -4.8570e-01 1.3786e-01 -6.4381e-01 -7.9675e-01 -1.1140e+00 3.9579e-01 1.8439e-01 -2.1707e-01 9.1708e-02 -1.0111e+00 -1.3804e+00 -1.9178e-01 -1.7203e+00 -2.1335e-01 -4.4000e-01 -9.5233e-01 -8.0591e-04 -8.8137e-01 -3.7263e-01 1.0217e+00 -5.6800e-01 -1.4108e+00 4.7730e-01 4.4241e-01 -6.2033e-01 7.7438e-02 4.6586e-01 1.0567e+00 1.6689e-01 7.0981e-01 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-4.6935e-01 4.6776e-01 1.0734e+00 2.4132e-02 -2.5284e-01 -1.1807e-01 2.9845e-01 2.0095e-01 1.1688e-01 1.1625e+00 5.8015e-01 3.5700e-01 -2.2612e-01 -1.5973e-01 -2.4176e-01 3.9324e-01 -4.8411e-01 -6.8786e-01 5.3069e-01 8.3517e-01 9.6903e-02 2.6456e-01 8.7328e-01 -8.0634e-01 3.8058e-01 2.3326e-01 -4.8892e-01 3.2957e-01 1.4860e-01 -2.1061e-01 7.1899e-01 -2.4286e-01 5.3897e-01 -8.0797e-02 -1.0269e+00 -3.1572e-01 -4.9761e-01 5.2995e-01 6.6247e-01 4.4425e-01 -1.8912e-01 -4.9135e-01]" [*]CC([*])C(=O)OC(C)CC,Poly(sec-butyl acrylate),*CC(*)C(=O)OC(C)CC,253.0,GREA,250.0-253.15,"[253.15, 253.0, 250.0]",3,1.776935564,gold,7,7.0,7,7,1,3.5,3.5,3.5,3.5,1.0,1,1,1,1,2.9804413212987457,0,2,3,0,0,0,26.3,0.0,0,0.0,102.0680796,4,3,9.551944444444445,26.37226241005556,1.8571428571428568,0,0,0,0,5,1,0,0,0,0.2857142857142857,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,3.6766124720762505,0,2,4,0,0,0,26.3,0.0,0,0.0,128.0837296,6,3,11.223657407407408,39.71682123267219,2.0,0,0,0,0,9,1,0,0,0,0.3636363636363636,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-5.1970e-01 3.4862e-02 3.8793e-01 1.3915e-01 -4.1290e-02 -3.5703e-01 1.4742e-01 -4.2165e-01 1.0993e+00 8.9758e-01 4.9899e-01 8.1997e-01 5.3836e-01 -1.4047e-01 -4.6094e-01 5.5915e-01 1.5838e+00 -4.9961e-01 -3.0934e-02 -7.5756e-01 6.2280e-01 -2.6071e-01 2.0628e-01 -8.8797e-01 -9.9626e-01 -8.4997e-01 7.0094e-02 1.1984e-01 4.2302e-01 2.4620e-01 -4.9257e-01 -7.7492e-01 2.6542e-01 1.7621e-01 -1.0855e+00 -3.9252e-01 3.9026e-01 -1.2577e+00 -3.1388e-01 -6.8259e-01 1.6062e-02 -4.1376e-01 -3.7770e-01 2.5240e-01 -6.5747e-01 9.6320e-01 -4.1934e-01 -5.4108e-01 -6.9770e-01 -5.5829e-01 -4.5724e-01 9.7990e-01 5.5246e-02 8.4725e-01 7.2718e-01 8.1457e-01 -1.4117e-01 -9.3150e-01 -9.1211e-01 1.5547e+00 5.5370e-01 2.8258e-01 -7.8315e-01 -3.1512e-01 -3.7706e-01 -8.1057e-01 1.6814e-01 4.6450e-01 1.3493e+00 -9.4693e-01 5.7939e-02 -3.4506e-02 6.6879e-01 1.1495e-02 6.6064e-02 8.2159e-01 -4.3324e-01 -4.7446e-01 -9.0638e-01 -6.8044e-02 -5.2036e-01 1.1763e+00 5.0582e-01 5.0125e-01 -5.4048e-01 -1.0243e+00 -6.2445e-01 -3.1147e-01 4.2362e-01 5.0752e-02 -1.5515e-01 -1.2748e+00 -5.5416e-02 -7.2638e-01 2.7000e-01 -4.0231e-02 3.1051e-01 -2.7756e-01 1.2788e-02 2.5996e-01 -3.5205e-01 9.6102e-01 -5.0100e-01 -8.7678e-02 1.4861e-01 -1.8098e-01 -4.3468e-01 8.5584e-02 -1.3505e+00 1.9847e-01 -6.3235e-01 9.7477e-01 3.8503e-02 -5.3135e-01 1.2499e+00 4.8749e-01 2.8282e-01 7.4693e-01 2.0483e-01 1.2107e-03 -1.3085e-02 8.1873e-01 -3.1030e-01 -4.1344e-01 -1.0969e+00 -1.0004e+00 1.1826e+00 -1.3079e-01 -2.6622e-01 -1.4912e+00 -8.1095e-01 4.5106e-02 -1.1291e+00 9.4865e-01 4.3664e-01 -6.2157e-01 -4.7027e-01 4.0103e-02 4.6524e-01 -5.5191e-01 2.3272e-01 8.8418e-02 5.2425e-01 5.0086e-01 5.7686e-01 -7.6166e-01 6.5209e-01 -1.8122e-01 2.4194e-01 -1.0062e+00 6.3875e-02 -1.1406e+00 4.8467e-01 -5.2116e-01 9.5748e-01 -6.0559e-01 1.3315e-01 -1.2363e-01 8.0142e-01 -6.9643e-01 -7.9745e-01 -4.6535e-01 -5.2511e-01 -3.4533e-02 -5.5060e-01 7.3627e-01 1.1128e+00 -9.0709e-01 -2.1618e-01 4.2240e-01 -6.8808e-02 -4.9947e-01 4.5707e-01 1.0778e+00 7.0425e-01 2.5431e-01 2.6696e-01 -6.8541e-01 -9.6192e-01 -1.1516e+00 1.6555e+00 -2.3662e-01 6.0837e-01 -1.2008e-01 -6.7074e-01 -8.2444e-01 1.0035e-01 9.8991e-02 7.8989e-02 -9.2914e-02 -1.3489e-01 -9.3293e-01 1.6807e-01 -1.0161e+00 5.5925e-01 -3.9377e-01 -6.6549e-01 1.7036e-01 -1.9158e-01 -4.7408e-01 6.4840e-01 -5.0717e-01 -7.8164e-01 2.0682e-01 -2.5424e-01 -7.7126e-01 -2.3862e-01 8.4975e-01 9.7381e-01 2.7662e-01 9.3899e-01 -4.2792e-01 6.1918e-01 8.6179e-01 6.5345e-01 -7.0642e-01 2.9151e-01 2.8017e-01 -2.8172e-01 -6.8633e-02 -4.3632e-02 1.2451e+00 -9.4784e-02 1.3103e+00 1.0692e+00 2.9331e-01 -3.1677e-01 -8.2745e-02 2.6090e-01 -1.9378e-01 4.8599e-01 -8.3487e-01 6.3103e-01 -6.7743e-02 -8.3114e-01 -2.2047e-01 7.5656e-01 -2.7033e-01 2.2900e-01 2.6526e-01 -4.8324e-01 3.2825e-01 -1.2730e-01 -2.1756e-02 4.0198e-01 1.1334e+00 -7.8697e-01 -3.5222e-01 -6.2657e-01 4.3450e-01 -4.8292e-01 -3.9885e-01 9.9689e-01 8.6347e-01 -5.2882e-01 -1.4165e+00]",{$CC(C(=O)OC(C)CC)$},"[-3.6739e-01 6.8580e-02 6.9348e-01 -2.2317e-01 2.1220e-02 -3.4111e-01 2.4358e-01 -2.1824e-01 4.3737e-01 3.0454e-01 -1.2888e-01 5.8888e-01 4.6531e-01 4.5034e-01 4.0981e-01 3.1353e-01 2.4166e-01 -1.8544e-01 -3.2776e-01 -4.3132e-01 2.7929e-01 -8.0808e-02 -3.8059e-01 -7.2910e-01 -2.4010e-01 -2.0946e-01 -5.2186e-01 -2.9541e-01 2.1570e-01 6.4212e-01 2.3530e-01 -1.9955e-01 3.2055e-01 -2.6128e-01 -5.0315e-01 -5.7804e-01 1.4953e-01 -4.5688e-01 -8.6182e-02 -4.7050e-01 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4.7667e-01 4.9614e-02 -1.5427e-01 -7.2759e-01 -6.3940e-02 -1.9304e-01 -8.0104e-01 5.2606e-01 1.2337e-01 -7.6455e-02 3.8670e-01 -1.4566e-01 4.0182e-01 -1.0635e-02 -1.4192e-01 4.1368e-02 9.7420e-02 -7.8807e-02 1.5486e-01 -6.5116e-01 4.4190e-01 1.2458e-01 -2.6174e-02 2.0435e-01 -4.7027e-01 -1.2132e+00 3.6871e-01 -3.4342e-01 6.6237e-01 1.9735e-01 -1.5042e-01 2.0539e-01 1.0022e+00 -4.9573e-01 3.7200e-01 1.8909e-01 -3.1087e-01 -1.7917e-01 -3.7934e-01 5.3318e-02 5.8030e-01 -1.9065e-01 -1.4312e-01 6.0623e-01 -1.8291e-01 -2.9332e-01 -1.5295e-01 -8.0082e-02 1.2853e-01 -4.1796e-01 -6.0516e-03 -5.8243e-01 5.1307e-01 -2.3188e-01 9.7628e-01 -1.3255e-01 5.2317e-01 1.8755e-01 -6.6629e-01 -2.8403e-01 -5.2168e-02 -1.2780e-01 9.6045e-02 2.6223e-01 -6.9411e-01 -4.2036e-01 3.9082e-02 -7.2519e-01 1.0422e-01 -8.5058e-01 -5.4815e-01 4.1813e-01 -1.9751e-02 -4.1973e-01 3.0664e-01 -3.3200e-01 -2.9085e-01 9.9207e-02 -1.3563e-01 3.2006e-01 1.8667e-01 2.7026e-01 2.7308e-01 3.7805e-02 6.2556e-01 -2.7086e-01 1.7801e-01 1.1677e+00 1.3880e-01 -1.1168e-01 8.3305e-01 -1.9327e-01 -1.6259e-01 -4.9982e-01 3.1973e-01 2.5630e-01 -3.9845e-01 9.3411e-01 6.3819e-01 3.9473e-01 -7.9257e-03 1.0463e-03 -2.8245e-01 6.5507e-02 -3.1228e-01 -5.4102e-01 4.3125e-01 3.3166e-01 4.2665e-02 -8.9256e-02 4.7004e-01 -2.9238e-01 4.5227e-02 1.5768e-01 -4.6629e-01 -2.2524e-02 4.2187e-01 -4.4383e-01 4.0104e-01 -2.3621e-01 4.3525e-01 2.1627e-01 -9.1602e-01 -4.5340e-01 -3.2031e-01 -2.4098e-01 4.1424e-01 5.6749e-01 -1.1282e-02 -7.1927e-01]" [*]CC([*])C(=O)OCC,Poly(ethyl acrylate) ,*CC(*)C(=O)OCC,251.0,GREA,249.0-253.15,"[253.15, 251.0, 249.0]",3,2.075451758,gold,5,5.0,5,5,1,2.5,2.5,2.5,2.5,1.0,1,1,1,1,2.4017152226171965,0,2,2,0,0,0,26.3,0.0,0,0.0,74.03677943,2,3,9.182638888888889,6.923737199690624,2.0,0,0,0,0,3,1,0,0,0,0.4,2,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,3.458823343065989,0,2,3,0,0,0,26.3,0.0,0,0.0,100.0524295,4,3,10.854351851851852,20.268296022307258,2.2857142857142856,0,0,0,0,7,1,0,0,0,0.4444444444444444,4,Polyacrylics,"Polyacrylics, Polyvinyls","[-0.3154 0.2122 -0.4923 -0.3786 0.5621 -0.5217 0.3458 -1.0385 0.4408 0.714 0.5627 0.1029 0.7144 -1.1119 -0.275 0.9229 1.7784 -0.0441 -0.5682 -0.4278 1.0069 -0.5631 -0.1059 -1.2357 -1.0244 -1.1728 0.691 0.5737 0.3895 -0.2584 -0.7083 -0.8991 0.7031 -0.1727 -0.2867 0.0977 1.4098 -0.0455 0.0949 -0.6299 0.0301 -0.5621 -0.2108 -0.311 -1.2778 1.4071 -0.226 -0.6517 -0.2412 -0.8196 -0.9726 0.7406 -0.4974 1.8483 0.868 0.9835 -1.0967 -0.9787 -0.7925 1.9588 0.367 -0.5624 -1.819 -0.2714 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-3.3849e-01 5.2435e-02 4.7584e-01 9.2663e-02 -4.7691e-01 1.1718e+00 7.7856e-02 -2.4313e-01 3.7821e-01 -3.0490e-02 -9.4603e-01 4.0305e-01 -1.5634e+00 -3.1072e-01 6.6550e-01 -7.9524e-01 4.2733e-01 4.1172e-03 -7.3589e-01 3.2530e-01 -1.0763e+00 -4.7588e-02 -5.7987e-01 6.1136e-01 -1.4910e-01 4.0834e-01 -3.5161e-01 5.4014e-01 -1.2649e+00 9.2271e-01 3.9889e-04 -2.9155e-01 -4.1564e-01 -4.2166e-01 7.5359e-01 -1.7554e-01 -3.6918e-01 -4.0656e-02 -4.1915e-01 4.1480e-01 4.8563e-01 1.2824e-01 5.8897e-01 8.6557e-01 -1.1769e+00 4.5512e-01 1.1930e-01 4.0999e-01 2.1945e-01 9.2023e-02 1.1842e+00 -5.5576e-01 -4.3393e-01 -1.5718e-01 -5.8361e-01 1.1303e+00 4.8372e-01 6.3908e-01 3.7896e-01 2.1817e-01 -4.7817e-01 2.1713e-01 6.1762e-02 -9.5613e-01 1.3607e-01 -8.9826e-01 6.1116e-01 -9.4426e-01 -2.3399e-01 -2.9502e-01 5.0530e-01 -7.7810e-01 -5.1095e-01]" [*]CC([*])C(F)(F)C(F)(F)C(F)(F)F,Poly[(heptafluoropropyl)ethylene] ,*CC(*)C(F)(F)C(F)(F)C(F)(F)F,331.0,GREA,330.0-331.15,"[331.15, 331.0, 330.0]",3,0.625166644,gold,10,10.0,10,10,1,5.0,5.0,5.0,5.0,1.0,1,1,1,1,4.403817966606919,0,0,1,0,0,0,0.0,0.0,0,0.0,169.9966476,10,0,11.17824074074074,18.524272430397243,0.8,7,7,0,0,9,0,0,0,0,0.7,7,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,5.069111272165751,0,0,3,0,0,0,0.0,0.0,0,0.0,196.0122976,12,0,12.723865740740742,31.365915676249266,1.0833333333333333,7,7,0,0,13,0,0,0,0,0.6428571428571429,9,Polyhalo-olefins,Polyhalo-olefins,"[-6.0331e-01 -3.0611e-01 -3.0358e-01 8.9386e-01 1.0933e+00 -2.6703e-01 7.4050e-01 -7.6313e-01 -3.5235e-01 -8.9524e-02 4.1282e-01 3.6140e-01 -1.0694e+00 -4.8982e-01 -7.5971e-01 -1.1914e+00 -2.3902e-01 -1.9412e-01 -8.1628e-01 -1.0023e+00 -8.0334e-02 3.0015e-02 1.0310e-01 -1.0397e+00 1.7680e-01 -1.5643e+00 3.1264e-01 -2.5052e-01 2.6483e-01 -4.1256e-01 -4.0199e-01 -6.4450e-01 8.6505e-01 5.1054e-01 -3.7676e-01 -5.8657e-01 1.7538e+00 7.2772e-02 -7.2022e-01 3.7680e-01 6.7003e-01 3.4414e-02 -2.6605e-01 8.4871e-01 -1.2883e+00 2.0940e-01 3.0197e-01 -8.4381e-01 1.2500e-01 6.8435e-01 -9.3302e-02 3.8851e-01 -6.9532e-01 8.0865e-01 1.5290e+00 1.1650e+00 -8.3228e-01 1.5268e+00 5.7612e-02 1.6426e+00 5.9914e-01 1.3103e+00 5.6443e-02 5.4645e-01 1.2653e-01 -1.2516e+00 5.6782e-01 -9.7280e-01 7.0125e-01 -1.0347e+00 -7.3725e-01 -9.7602e-01 2.7655e-01 7.8782e-01 -4.2389e-01 8.8743e-01 -6.4740e-01 -7.6097e-01 -6.8683e-01 -1.6956e+00 3.2972e-01 1.2205e+00 -4.5976e-01 -8.9843e-01 -2.8313e-02 2.7191e-01 6.1122e-01 7.5088e-01 -2.4823e-01 -2.7863e-01 -2.0628e-01 -6.5093e-01 -1.3028e+00 -6.4909e-01 -5.8464e-01 -3.1183e-02 6.2027e-01 -7.9097e-01 7.5347e-01 -1.2056e+00 2.2171e-01 1.5784e-01 -1.0729e+00 1.1218e+00 3.6443e-01 -9.5188e-01 -1.2235e+00 3.0635e-01 7.3255e-01 -4.4448e-01 -1.0172e+00 1.2794e+00 1.0459e+00 -8.5475e-01 -5.6658e-01 -2.4212e-01 -6.6635e-01 5.7055e-02 1.2166e+00 2.7693e-01 -4.8516e-01 6.5183e-01 -6.9575e-01 -5.5043e-01 -1.1433e+00 -3.1435e-01 2.2711e-01 -1.1931e+00 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4.4174e-01 1.2853e+00 -4.8846e-01 -9.6345e-02 -1.5487e-01 1.0942e-01 5.3243e-01 -8.2583e-01 7.1188e-01 1.0968e+00 6.7677e-01 9.6403e-01 -3.0961e-01 -8.9911e-01 3.8646e-01 5.0717e-01 -7.5767e-01 -3.9548e-01 -2.8791e-01 1.2583e+00 -6.2895e-02 1.1042e-01 9.9705e-01 -9.1301e-02 3.3233e-01 8.6904e-01 4.1188e-01 7.2435e-01 -1.0202e+00 1.7271e+00 8.0054e-01 -3.9816e-01 1.2533e-01 -2.2125e-01 -6.8878e-01 -2.1624e-01 -5.1635e-02 1.0143e+00 7.1144e-01 -5.4011e-02 -1.4379e-01 -1.0818e+00]",{$CC(C(F)(F)C(F)(F)C(F)(F)F)$},"[ 0.1991 -0.0631 -0.4262 0.3223 0.768 0.0139 0.4837 -0.2251 0.1552 -0.0488 0.0593 0.2971 -0.4204 -0.1842 0.068 -0.6394 0.0687 -0.1652 -0.1972 -0.3459 0.0279 0.3336 0.4161 -0.7731 0.0711 -0.4115 -0.0581 -0.371 0.104 0.5123 -0.3464 0.3721 -0.0729 0.4229 0.1107 -0.3541 0.9748 0.3897 -0.3624 0.0978 0.427 0.3286 0.1485 0.3097 -0.2268 -0.2579 0.3503 -0.4054 -0.2158 0.3156 0.0503 0.2952 -0.1204 0.2848 0.2833 0.5788 -0.1354 0.3451 0.1714 0.2222 0.0467 0.2877 -0.0144 0.3457 -0.1013 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-0.297 -0.4478 -0.3891 0.2796 0.4536 0.1194 0.1048 -0.1432 0.4162 0.4407 0.8782 -0.2451 -0.2752 0.0068 0.1596 0.1159 0.1247 -0.1077 -0.0274 -0.3513 -0.0392 0.4829 -0.4125 0.2599 0.3222 0.7347 0.4406 -0.4908 -0.8324 0.1534 0.1354 -0.3225 0.0629 -0.2953 0.6185 0.1442 -0.5429 0.2864 -0.0471 0.0081 0.2069 0.1203 0.3367 0.1802 0.2403 0.2116 -0.431 0.1471 -0.1401 -0.0271 0.2314 -0.1944 0.4164 0.2736 -0.0625 -0.0181 0.1585]" [*]CC([*])C(F)(F)C(F)(F)F,Poly[(pentafluoroethyl)ethylene] ,*CC(*)C(F)(F)C(F)(F)F,314.0,GREA,313.0-314.15,"[314.15, 314.0, 313.0]",3,0.625166644,gold,7,7.0,7,7,1,3.5,3.5,3.5,3.5,1.0,1,1,1,1,3.541196965079901,0,0,0,0,0,0,0.0,0.0,0,0.0,119.9998411,7,0,10.42824074074074,12.601743262302666,1.0,5,5,0,0,6,0,0,0,0,0.7142857142857143,5,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,4.447946506938796,0,0,2,0,0,0,0.0,0.0,0,0.0,146.0154912,9,0,12.301990740740742,25.443386508154685,1.3333333333333333,5,5,0,0,10,0,0,0,0,0.6363636363636364,7,Polyhalo-olefins,Polyhalo-olefins,"[-0.1666 -0.522 -0.7097 1.1945 1.1382 -0.4507 1.0261 -1.0685 -0.0438 0.3877 0.2446 0.9719 -1.4882 -0.5844 -0.7266 -0.7734 0.078 -0.5809 -0.951 -1.0265 -0.3135 0.3915 0.5059 -1.3047 0.1716 -1.6738 0.4301 -0.5098 0.2787 -0.7133 -0.9567 -0.767 0.9617 0.434 -0.2983 -0.6996 1.6345 -0.2421 -0.9233 0.4097 1.2917 -0.3887 -0.3431 0.7915 -1.4582 0.3243 0.3308 -0.8915 -0.0493 0.9721 -0.4999 0.0784 -0.3033 1.2073 1.8111 1.5271 -0.4196 1.6304 -0.0165 1.8569 0.7023 1.3796 0.1328 0.2436 0.0353 -1.3333 0.7198 -0.749 0.8748 -1.4351 -1.0513 -0.9654 0.232 0.6298 -0.6423 0.6838 -0.8562 -1.0216 -0.79 -1.6389 0.5605 1.4676 -0.1728 -0.9823 0.1373 0.323 0.4904 0.8165 -0.6378 0.2706 -0.1805 -0.4429 -1.0645 -0.6444 -0.8903 -0.3144 0.5488 -0.5964 0.686 -1.0486 -0.1695 0.5253 -1.1418 1.6972 0.3529 -1.2776 -1.6155 0.2315 0.6397 -0.6302 -0.499 1.611 1.1997 -0.71 -0.527 -0.5545 -0.7475 0.1404 1.4289 0.3901 -0.1007 0.4739 -0.4561 -0.4445 -1.3594 -0.4714 0.1807 -1.4254 -0.2272 -0.3016 -0.6007 -0.8373 0.3985 0.635 0.0638 -0.6794 0.5858 -0.7614 -0.5839 0.6334 -0.6507 -0.8101 -0.3206 0.1275 -0.0295 -0.1501 -1.8497 0.9132 -1.3998 0.7231 0.5871 -0.3782 -0.1932 -0.7942 1.7984 0.2443 -0.1541 1.5382 0.5775 0.2691 -0.6901 -1.017 0.9872 0.7857 -0.8286 0.4651 -1.8169 -0.5442 1.5837 2.166 0.0322 -0.3839 1.1307 2.214 -0.3779 -0.8735 1.3235 0.4847 -1.688 -0.5373 -0.0409 -0.4624 1.4258 -0.7926 0.2931 -1.7065 0.1531 0.2805 -0.5807 -0.8458 0.3808 -1.1359 0.6438 1.5756 0.1507 1.2713 -0.798 1.1555 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-2.5973e-01 1.2427e+00 -3.2435e-03 5.3583e-01 -4.8576e-01 1.4507e-01 -2.6041e-01 -4.1088e-01 4.2974e-01 6.5653e-01 -1.7758e-01 -7.5520e-01 2.6833e-01 3.3365e-02 1.5142e+00 1.5194e-01 2.9216e-01 -4.6239e-01 2.1646e-01 -6.4858e-01 -7.2659e-01 7.0124e-02 2.2077e-01 -1.4700e+00 5.1303e-01 -2.6030e-01 3.5278e-01 -4.2680e-01 4.8194e-01 3.6922e-01 4.9233e-01 -3.2477e-01 -7.3074e-01]" [*]CC([*])c1ccc(CCCC)cc1,Poly(p-n-butyl styrene) ,*CC(*)c1ccc(CCCC)cc1,279.0,GREA,278.0-279.15,"[279.15, 279.0, 278.0]",3,0.625166644,gold,10,10.0,10,10,1,5.0,5.0,5.0,5.0,1.0,1,1,1,1,2.4265223465879533,0,0,3,1,0,1,0.0,0.0,0,0.0,134.1095504,4,6,2.225138888888889,26.186202068468653,1.1,0,0,0,0,4,0,0,0,6,0.0,0,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.587691042042861,0,0,5,1,0,1,0.0,0.0,0,0.0,160.1252005,6,6,2.393333333333333,39.53076089108528,1.4166666666666667,0,0,0,0,8,0,0,0,6,0.1428571428571428,2,Polystyrenes,"Polystyrenes, Polyvinyls","[-0.3973 0.2414 -0.5689 2.1819 0.4235 0.595 -0.2651 -1.4987 0.4026 0.4284 1.3139 1.1775 0.4491 -0.9062 -0.5238 1.5118 1.0627 -0.3695 0.8524 -0.7021 1.2977 -0.6873 0.3176 -0.551 -1.0379 0.6564 1.604 -0.4006 1.0921 -0.2255 -1.3626 -1.4829 0.4947 -0.0446 -0.9419 -0.6453 1.1934 0.6735 0.9012 -0.3331 0.7265 -0.2528 0.2374 0.856 -0.6948 1.4988 0.6933 -2.5356 -0.067 -0.2326 -0.221 0.0691 -0.1407 0.34 2.4092 0.8322 0.4824 -0.9813 -1.4151 3.0393 0.6197 -0.014 -1.5664 -0.2879 1.552 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1.9686e-02 8.1118e-02 1.2688e-01 1.8123e-01 1.3771e+00 2.7074e-01 3.1457e-02 7.6971e-01 5.6988e-01 -8.3148e-02 -4.4653e-01 2.2325e-01 2.9433e-01 -1.5768e-01 3.3348e-02 -3.3118e-01 -8.8064e-01 -9.9097e-01 7.9919e-01 -3.0814e-01 3.2310e-01 -9.7819e-02 -3.2212e-02 1.5630e-01 -4.2604e-01 -5.9965e-02 3.7715e-01 -2.0537e-01 -8.0782e-03 -6.5272e-02 5.3941e-01 -1.6984e-01 -3.2284e-01 2.0155e-01 -2.0539e-01 -4.4154e-04 8.3951e-01 6.7186e-01 -3.5403e-01 3.6155e-01 8.5234e-01 -1.9287e-01 9.2632e-02 -1.6083e-01 3.1181e-01 -4.7635e-01 6.6940e-01 6.3205e-02 3.3626e-01 -4.0308e-01 -3.7450e-01 -1.4577e-01 2.4023e-01 9.0179e-02 -6.9568e-01 4.0052e-01 -1.4845e-01 3.5975e-01 9.4343e-01 -1.4030e-01 -8.6356e-02 -3.1358e-01 -3.5444e-01 1.6567e-01 -5.8892e-01 9.8294e-02 4.8565e-01 -8.4464e-02 -2.0865e-01 5.3770e-01 -2.4347e-01 4.6086e-02 5.7377e-02 1.9943e-02 4.0280e-02 8.8886e-02 -1.5234e-01 2.4637e-01 7.9818e-02 -2.3368e-01 5.7675e-02 1.5532e-01 -7.7387e-01 1.0989e-01 5.5991e-01 -9.0501e-02 -2.2649e-01 2.8594e-01 8.7385e-01 -4.0417e-01 -1.7785e-01 -2.9148e-01 2.8312e-01 -1.3933e-01 2.9070e-01 7.5173e-01 -1.3974e-01 2.6758e-01 -3.5297e-01 -3.5793e-01 -3.7610e-01 1.3231e+00 -7.1607e-02 -2.3023e-01 3.6840e-01 -2.5442e-01 -8.7335e-01 -4.5690e-01 5.9175e-01 -2.7602e-01 -8.8899e-01 1.6652e-01 3.1739e-01 2.2744e-01 4.5250e-01 5.1110e-02 1.4147e-01 6.4732e-01 -2.1553e-01 -4.5353e-01]" [*]CC([*])c1ccc(COC)cc1,Poly(p-methoxymethyl styrene),*CC(*)c1ccc(COC)cc1,350.0,GREA,349.0-350.15,"[350.15, 350.0, 349.0]",3,0.625166644,gold,9,9.0,9,9,1,4.5,4.5,4.5,4.5,1.0,1,1,1,1,2.61489994,0,1,2,1,0,1,9.23,0.0,0,0.0,122.0731649,3,6,4.92787037,6.606881964512918,1.2222222222222223,0,0,0,0,3,0,0,0,6,0.1111111111111111,1,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.6881355541401115,0,1,4,1,0,1,9.23,0.0,0,0.0,148.088815,5,6,5.082524014235323,19.951440787129552,1.5454545454545454,0,0,0,0,7,0,0,0,6,0.2307692307692307,3,Polystyrenes,"Polystyrenes, Polyvinyls","[-6.7381e-01 3.2881e-02 -7.5886e-01 2.0904e+00 -1.3791e-01 5.5757e-01 -6.3843e-02 -1.1291e+00 1.4548e-01 4.0669e-01 4.4570e-01 -6.8642e-01 6.6653e-01 -8.0679e-01 -2.4866e-01 7.5599e-01 1.5932e+00 -2.9186e-01 -1.2216e-01 -9.2969e-01 9.6013e-01 -3.6548e-01 7.5002e-01 9.4561e-03 -1.0869e+00 1.3176e+00 2.1060e+00 -1.0434e+00 4.5894e-01 -6.9835e-01 -9.5938e-01 -8.3086e-01 1.3649e+00 -3.2018e-01 -1.0817e+00 -5.6064e-01 1.6230e+00 2.9211e-01 5.7089e-01 5.0974e-04 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319.0]",3,3.30012626,gold,11,11.0,11,11,1,5.5,5.5,5.5,5.5,1.0,1,1,1,1,2.2758012873675098,0,1,4,1,0,1,9.23,0.0,0,4.736862953800049,150.1044651,4,7,5.446388888888889,19.765380445542643,1.181818181818182,0,0,0,0,5,0,0,0,6,0.090909091,1,4,1,1.9747448713915887,0,0,1,0,0,0,0.0,0.0,0,0.0,28.03130013,2,0,1.6805555555555556,13.847474399381248,2.0,0,0,0,0,3,0,0,0,0,0.5,2,2.485267801779491,0,1,6,1,0,1,9.23,0.0,0,4.736862953800049,176.1201151,6,7,5.650806642101285,33.10993926815928,1.4615384615384617,0,0,0,0,9,0,0,0,6,0.2,3,Polystyrenes,"Polystyrenes, Polyvinyls","[-5.1231e-01 5.2495e-01 -1.2681e+00 1.6515e+00 3.0693e-02 1.5873e-01 -2.8776e-02 -1.4409e+00 7.5238e-01 1.2988e+00 1.4898e+00 9.5916e-01 4.2789e-01 -9.2165e-01 -3.9987e-01 1.6435e+00 1.9217e+00 -8.7512e-01 4.6470e-01 -9.7236e-01 1.1558e+00 -9.7279e-01 -1.6858e-01 -7.2393e-01 -8.2736e-01 1.0977e+00 1.4542e+00 -4.7137e-01 6.7972e-01 -1.0350e+00 -2.0082e+00 -1.4118e+00 9.0668e-01 -1.6096e-01 -1.1521e+00 -1.2027e-01 1.3343e+00 5.1613e-01 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0.6781 0.2987 -0.8368 0.5518 -0.5071 -0.5448 -0.7999 -0.5743 0.0435 -0.0657 0.289 -0.6687 -1.2211 1.6981 -0.3695 0.4717 -0.813 -0.2821 0.3581 -1.1338 -1.2337 0.3319 -0.3629 -0.8299 -0.3532 -1.4495 0.1347 -0.7867 -0.3268 0.2072 -0.4698 0.4037 -0.3283 1.0081 -1.4513 0.0215 -1.0282 -0.4026 -0.7352 -0.2834 0.1473 -0.624 0.0794 -0.4165]" [*]CCOC(=O)CCC([*])C,Poly(oxycarbonyl-3-methylpentamethylene) ,*CCC(C)CCC(=O)O*,220.0,GREA,219.0-220.15,"[220.15, 220.0, 219.0]",3,0.625166644,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,11,1,3.227189314660307,0,2,5,0,0,0,26.3,0.0,0,0.0,128.0837296,6,3,10.939722222222224,33.10993926815928,2.0,0,0,0,0,9,1,0,0,0,0.3636363636363636,4,3.227189314660307,0,2,5,0,0,0,26.3,0.0,0,0.0,128.0837296,6,3,10.939722222222224,33.10993926815928,2.0,0,0,0,0,9,1,0,0,0,0.3636363636363636,4,Polyesters,Polyesters/thioesters,"[ 2.0673e-01 -8.7394e-02 3.0541e-01 1.7486e+00 -6.9840e-01 -1.9664e-01 8.6635e-01 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6.5937e-01 -1.5295e-01 -6.8769e-01 6.1344e-01 -1.3992e-01 3.8873e-01 2.4587e-01 -6.4562e-01 -5.3977e-02 -5.0887e-01 -1.5551e-01 7.6230e-01 -7.7642e-02 -1.5710e-01 -2.5309e-01 -5.1933e-01 4.5455e-01 5.9825e-01 -1.4079e-01 -7.1723e-01 2.5972e-01 6.6515e-01 -2.7984e-01 4.7355e-01 2.9279e-01 4.8316e-01 -4.4372e-01 1.2601e+00 -5.7789e-01 3.6663e-01 3.5827e-01 -3.2263e-01 -5.9874e-02 -4.4923e-01 1.1250e-01 -1.5178e-01 -3.7057e-01 -1.1870e-02 -4.5936e-01 4.4918e-01 -6.1241e-01 -3.4924e-01 1.3136e+00 -2.3468e-01 -3.2805e-01 1.2429e-01 1.3180e-01 6.3782e-01 -2.0352e-01 -2.4990e-01 6.4454e-01 -4.0735e-01 -5.6367e-01 -9.6393e-02 -7.9863e-01 -2.0177e-03 -3.9572e-01 3.7062e-01 1.0875e-01 5.4414e-01 2.5058e-01 9.0643e-02 -7.9179e-01 -8.7234e-02 3.9604e-01 1.8034e-01 -9.5426e-02 -1.4953e+00 -7.1386e-02 -1.2480e-01 6.5923e-01 -4.3264e-01 -9.9996e-01]" [*]CCOCC[*],Poly(tetramethylene glycol),*CCCCO*,189.5,GREA,188.0-193.15,"[193.15, 189.0, 190.0, 188.0]",4,2.229863598,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,7,1,2.447472887876344,0,1,4,0,0,0,9.23,0.0,0,0.0,72.05751488,5,0,5.256944444444445,13.847474399381248,1.4,0,0,0,0,6,0,0,0,0,0.4285714285714285,3,2.447472887876344,0,1,4,0,0,0,9.23,0.0,0,0.0,72.05751488,5,0,5.256944444444445,13.847474399381248,1.4,0,0,0,0,6,0,0,0,0,0.4285714285714285,3,Polyoxides,Polyoxides/ethers/acetals,"[ 3.8746e-02 -5.2043e-01 -2.0876e+00 1.2683e+00 -4.8702e-01 -6.1040e-01 5.3044e-01 -3.0475e-01 -8.9635e-01 1.5713e+00 2.1530e-01 -2.6974e+00 6.1345e-01 -1.0283e+00 5.8546e-01 1.7029e+00 2.3557e+00 3.3729e-01 -3.8509e-01 -1.1464e+00 7.9358e-01 6.6606e-01 4.1170e-01 -1.0891e+00 1.4065e-01 1.5866e-01 1.2749e-02 -2.5976e-01 2.1517e-01 3.8720e-01 -7.6779e-01 7.5043e-01 6.4381e-01 5.7484e-01 -1.8088e-01 1.3423e-01 8.9476e-01 4.1108e-01 6.9920e-01 -3.1955e-01 6.4398e-01 -1.1168e+00 -1.2948e+00 4.6610e-01 -1.5326e+00 2.0669e+00 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358.0]",3,10.3484701,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,10,1,2.693803452362809,0,0,2,1,0,1,0.0,0.0,0,6.066367068,104.0626003,2,6,2.310509259259259,13.344558822616634,1.375,0,0,0,0,4,0,0,0,6,0.2,2,2.693803452362809,0,0,2,1,0,1,0.0,0.0,0,6.066367068,104.0626003,2,6,2.310509259259259,13.344558822616634,1.375,0,0,0,0,4,0,0,0,6,0.2,2,Polyphenylenes,Polyphenylenes,"[-1.6613e+00 6.8218e-01 -5.2935e-01 1.3005e+00 1.2178e+00 -6.3606e-01 -7.7540e-01 -1.7833e+00 -1.3939e-01 5.1038e-01 1.2339e+00 1.3285e-01 3.5797e-03 -1.3128e+00 -7.9133e-01 1.2717e+00 3.7339e-01 -5.8126e-02 7.1733e-01 -8.0697e-01 8.6095e-01 -2.1646e-01 1.0594e-01 -3.6701e-01 -5.9588e-01 3.4618e-01 1.6526e+00 -1.4052e+00 7.2542e-01 -1.1104e+00 -1.3812e+00 -1.3973e+00 1.1617e+00 -3.8674e-01 -1.6115e+00 -1.2482e+00 1.7790e+00 2.6737e-01 4.5285e-01 -4.3177e-01 -2.5743e-01 -6.1235e-01 5.4251e-01 1.0342e+00 -1.4947e+00 2.4261e+00 1.0108e+00 -2.5490e+00 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1.2748e+00 -1.2394e-01 -3.2414e-02 -6.4187e-01 3.0762e-01 -1.0472e+00 -8.8145e-02 7.3181e-01 5.3100e-01 5.8303e-01 -1.6321e-01 3.6276e-01 3.8879e-01 4.8319e-01 1.2422e+00 1.0924e+00 4.0298e-01 6.5517e-01 -9.4421e-01 4.6400e-01 3.1917e-01 6.9639e-01 -8.5396e-01 4.9219e-01 -7.9322e-01 -1.1774e-01 -2.0869e-02 5.2502e-01 1.5991e-01 4.1720e-01 6.9461e-01 -6.4869e-01]" [*]CCc1ccc([*])cc1C,Poly(methyl-p-xylylene) ,*CCc1ccc(*)c(C)c1,328.0,GREA,327.0-330.65,"[330.65, 328.0, 327.0]",3,1.886133611,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,11,1,2.899778231413746,0,0,2,1,0,1,0.0,0.0,0,6.066367068,118.0782503,3,6,2.393842592592593,20.268296022307258,1.6666666666666667,0,0,0,0,5,0,0,0,6,0.1818181818181818,2,2.899778231413746,0,0,2,1,0,1,0.0,0.0,0,6.066367068,118.0782503,3,6,2.393842592592593,20.268296022307258,1.6666666666666667,0,0,0,0,5,0,0,0,6,0.1818181818181818,2,Polyphenylenes,Polyphenylenes,"[-1.1183e+00 4.6317e-01 1.8874e-02 1.5996e+00 -1.4695e-02 3.9746e-01 -8.9295e-01 -3.6339e-01 8.1773e-02 -8.6324e-01 2.0850e+00 -4.4037e-01 -5.9578e-01 -1.5432e+00 -2.6137e-01 1.2230e+00 4.3195e-02 -1.2570e-01 3.6645e-01 -1.0292e+00 3.8268e-01 -5.1276e-01 -1.3958e-01 -1.0459e+00 -1.1964e+00 1.0836e+00 1.3820e+00 -1.8028e+00 6.0870e-01 -8.9336e-02 -7.1967e-01 -1.1705e+00 3.6553e-01 -5.1055e-01 -2.7145e+00 -5.7428e-01 1.4207e+00 1.3473e-01 4.1741e-01 -3.0269e-01 -1.0450e+00 -5.8057e-01 5.3813e-01 1.0769e+00 -1.8118e+00 1.2832e+00 4.1662e-01 -1.7226e+00 -9.8853e-02 6.5396e-01 6.3376e-01 1.7678e-01 3.3668e-01 3.5523e-02 1.6155e+00 8.6449e-01 5.0115e-01 -2.8858e-01 -1.0132e+00 3.7503e+00 -4.9426e-01 3.9731e-01 -2.2358e+00 -3.2512e-01 -1.4200e-01 -3.0586e-01 4.7732e-01 -2.4393e-02 -1.3725e-01 -3.5494e-01 2.2575e-01 1.2007e-01 1.1002e+00 -7.5928e-01 5.4803e-01 -4.5600e-01 -3.9351e-01 -9.6349e-01 -8.7122e-01 9.9143e-02 -1.0927e+00 1.7975e+00 9.7252e-01 2.2403e-01 1.7016e-01 8.8996e-02 -4.1468e-01 -1.2853e+00 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260.0]",3,10.21228835,gold,4,2.0,2,2,2,1.0,1.0,1.0,2.0,1.0,1,1,2,1,2.0,0,0,0,0,0,0,0.0,0.0,0,0.0,99.98465555,4,0,9.277777777777777,0.0,3.0,2,0,2,0,2,0,0,0,0,1.0,2,6,1,2.3390923149762908,0,1,3,0,0,0,9.23,0.0,0,0.0,58.04186481,4,0,5.15625,6.923737199690624,2.0,0,0,0,0,5,0,0,0,0,0.5,3,3.575504853244137,0,1,5,0,0,0,9.23,0.0,0,0.0,153.9952202,8,0,5.763090828924161,5.917906046161393,1.625,2,0,2,0,9,0,0,0,0,0.5,5,Polyoxides,Polyoxides/ethers/acetals,"[-0.373 -1.6029 -1.6005 -0.1757 -0.2609 -0.0898 0.3411 -1.0821 -0.3851 1.9169 -0.966 -1.6197 -1.429 0.8814 0.1601 0.9784 1.5111 0.3684 -0.7764 -0.3975 1.6127 1.1076 -0.3036 -0.5555 -0.1901 -0.063 0.7207 -0.9775 -0.842 1.2977 0.131 0.6609 0.6618 -0.6583 -0.4322 -1.0384 1.0567 0.2501 -0.4551 0.2761 -0.7151 -2.233 -0.4148 0.2861 -1.4602 -0.1049 0.2613 0.6039 -0.0189 -0.7465 -2.1839 0.1172 0.7727 1.9568 1.2103 1.2179 -0.5895 -0.4733 -0.1343 1.3157 -0.3883 0.8246 -0.9766 -0.4356 -0.6782 -0.0896 1.7638 -0.7246 0.9976 -0.834 -0.6045 -0.4823 1.4345 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1.5570e-01 -8.0133e-02 5.9749e-01 7.8496e-01 -3.4533e-01 -2.9696e-02 5.7390e-02 -6.2169e-02 2.9747e-01 -2.0621e-01 9.8682e-02 -2.7938e-01 7.9054e-01 4.9729e-01 -4.1575e-02 -2.0546e-01 -5.6305e-01 4.3571e-01 -3.8017e-01 -7.5992e-01 -1.2485e+00 7.3696e-01 3.1714e-01 -6.4790e-02 -1.4764e-01 4.6153e-01 1.1177e+00 -3.9816e-01]" [*]COC[*],Poly(ethylene glycol),*CCO*,257.5,GREA,217.15-298.0,"[217.15, 225.0, 298.0, 290.0]",4,42.35117816,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,5,1,2.190609687,0,1,2,0,0,0,9.23,0.0,0,0.0,44.02621475,3,0,5.055555555555555,0.0,2.0,0,0,0,0,4,0,0,0,0,0.6,3,2.190609687,0,1,2,0,0,0,9.23,0.0,0,0.0,44.02621475,3,0,5.055555555555555,0.0,2.0,0,0,0,0,4,0,0,0,0,0.6,3,Polyoxides,Polyoxides/ethers/acetals,"[-5.0282e-01 7.5621e-02 -1.6329e+00 7.1184e-01 -2.9765e-01 -1.1536e+00 1.2693e+00 -2.4774e-01 -1.1943e+00 1.8423e+00 1.4313e-01 -3.0075e+00 6.1557e-01 -3.2881e-01 8.9945e-01 9.4666e-01 6.6841e-01 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217.0]",3,8.876420074,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,4,1,1.9747448713915887,0,1,1,0,0,0,9.23,0.0,0,0.0,30.01056468,2,0,4.902777777777778,0.0,3.5,0,0,0,0,3,0,0,0,0,0.75,3,1.9747448713915887,0,1,1,0,0,0,9.23,0.0,0,0.0,30.01056468,2,0,4.902777777777778,0.0,3.5,0,0,0,0,3,0,0,0,0,0.75,3,Polyoxides,Polyoxides/ethers/acetals,"[-0.8823 -0.2715 -2.8137 0.6415 0.5051 -1.5223 2.279 -0.4888 -0.7981 2.0155 -1.3921 -1.6783 0.4296 -0.6478 0.3082 1.3961 1.5461 1.2416 -0.445 -1.0272 2.2863 1.9242 0.5474 -1.4271 -0.4662 -0.5601 1.1123 -0.8868 0.3951 0.131 -0.8087 -0.09 1.2956 0.8097 -0.2714 -0.3704 1.5803 -1.1142 0.9161 1.3635 0.6864 -0.5122 -0.6419 0.9945 -0.6279 2.5491 0.9574 -1.4859 -0.2918 1.4862 -1.5333 -0.0796 -0.4448 2.0211 2.2618 -0.0811 -1.5117 -1.5273 -1.8276 2.1107 -1.523 0.1743 -0.3794 0.1766 0.2001 -0.3715 1.3752 -0.399 0.9637 -0.397 -0.3913 -0.5447 1.8362 1.9333 -0.6771 3.0574 0.5849 -0.3856 0.0568 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-1.6739e-01 4.8366e-02 -1.2659e+00 -3.5976e-02 -2.6400e-01 -4.4244e-01 1.1093e+00 -1.0622e+00 2.6041e-01 6.2593e-02 -3.3183e-02 1.9019e-01 -3.3451e-01 1.2896e+00 -8.4682e-01 -2.2080e-01 -1.7681e+00 1.0561e+00 -6.8862e-01 -4.2088e-01 5.3732e-02 5.3794e-01 -2.4967e-01 -3.7505e-01]" [*]C[*],Poly(ethylene),*CC*,219.15,GREA,197.0-394.0,"[219.15, 200.0, 394.0, 197.0, 331.0]",5,89.29733759,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,3,1,1.6329931618554523,0,0,0,0,0,0,0.0,0.0,0,0.0,14.01565006,1,0,1.75,7.426652776455239,4.0,0,0,0,0,2,0,0,0,0,0.6666666666666666,2,1.6329931618554523,0,0,0,0,0,0,0.0,0.0,0,0.0,14.01565006,1,0,1.75,7.426652776455239,4.0,0,0,0,0,2,0,0,0,0,0.6666666666666666,2,Polyolefins,Polyolefins,"[-8.6356e-01 4.1690e-01 -1.8858e+00 2.6468e-01 1.2628e+00 -1.4849e+00 2.7840e+00 -1.2014e-01 -3.7003e-02 4.9746e-01 1.6193e-01 -5.9467e-01 -8.7202e-01 -1.2763e+00 -1.2400e+00 7.5692e-01 1.4455e+00 1.0347e+00 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402.0]",3,5.421331325,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,20,1,2.2877732487970253,2,3,9,1,0,1,58.2,0.0,0,11.050456081168516,246.1368278,7,11,11.95094346,25.68328649170404,1.1111111111111112,0,0,0,0,12,2,0,0,6,0.3,6,2.2877732487970253,2,3,9,1,0,1,58.2,0.0,0,11.050456081168516,246.1368278,7,11,11.95094346,25.68328649170404,1.1111111111111112,0,0,0,0,12,2,0,0,6,0.3,6,Polyamides,Polyamides/thioamides,"[ 3.6425e-02 -1.4925e-01 -1.2711e+00 -1.2752e-01 -6.8208e-01 -1.5942e+00 -3.1285e-02 -1.8458e+00 -2.3830e-02 5.7055e-02 2.0298e+00 2.5434e-01 -3.6256e-01 -1.4319e+00 1.1006e-01 1.3498e+00 1.9170e-01 8.2379e-01 -1.1425e+00 -1.1530e+00 1.1528e+00 1.0365e+00 -6.1509e-02 -6.1057e-01 2.8360e-01 -1.2709e-01 9.1952e-01 -4.0367e-01 1.2246e+00 -1.5295e+00 -1.3155e+00 -2.4450e+00 5.4712e-01 1.1385e-01 -2.0591e+00 -6.7638e-02 2.1128e+00 -9.5434e-01 -3.2373e-01 -1.1700e-01 5.4788e-01 6.9835e-01 -2.5879e+00 -7.2117e-01 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-0.8639 -0.4888 0.1874 0.0175 0.6354 0.5168 -0.4641 0.3075 -0.0034 -0.5086 0.2897 0.0737 0.7833 0.2882 -0.6372 0.201 -0.3999 -0.3032 0.8455 0.8741 0.0083 0.0814 0.5441 0.0628 0.3969 -0.5848 0.6744 -0.1604 0.4234 -0.6166 -0.0145 -0.0354 -0.4845 0.1582 0.0877 0.3068 0.5661 0.1292 -0.6365]" [*]OCCOC(=O)c1ccc(C([*])=O)cc1,Poly(ethylene terephthalate),*CCOC(=O)c1ccc(C(=O)O*)cc1,348.0,GREA,344.0-353.0,"[350.15, 344.0, 353.0, 346.0, 348.0]",5,3.512762446,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,16,1,2.5949035722536697,0,4,5,1,0,1,52.6,0.0,0,0.0,192.0422587,3,11,11.473977702191988,0.0,1.2142857142857142,0,0,0,0,8,2,0,0,6,0.375,6,2.5949035722536697,0,4,5,1,0,1,52.6,0.0,0,0.0,192.0422587,3,11,11.473977702191988,0.0,1.2142857142857142,0,0,0,0,8,2,0,0,6,0.375,6,Polyesters,Polyesters/thioesters,"[-1.6415 0.56 -1.6154 0.1755 -0.0813 -1.8266 1.1777 -0.931 -0.277 0.4262 1.1042 0.3456 1.0913 -1.1936 -1.1072 0.8614 1.5238 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0.4994 0.3297 0.0666 -0.1221 0.4947 -0.0145 -0.1078 0.4638 0.2428 -1.1431 -0.2561 -0.4888 0.0867 -0.5845 -0.6711 -0.2371 0.1138 0.525 0.2543 -0.328 0.1118 -0.4347 0.3017 0.2711 -0.6232 -0.8773 -0.1451 -1.1671 -0.5231 0.2731 0.1418 -0.4668 -0.0563 -0.2546 -0.2485 -0.11 -0.0617 -0.372 0.7631 0.3135 0.0373 0.3437 0.715 0.6395 0.5776 0.106 -0.3662 -0.2381 0.6652 0.1756 -0.2719 0.3109 -1.4858 -0.6384 1.0483 0.9478 -0.0093 0.8168 -0.0782 0.0408 0.3098 -0.7414 0.179 0.7533 0.4075 0.555 -0.5844 0.226 -0.8756 -0.2017 0.6265 -0.1808 -0.0797 0.4548 0.4045 -0.0131 0.7917 -0.3813 0.1889 0.142 0.1987 -0.5521 -0.002 -0.6632 -0.8206 0.1081 0.2776 -0.084 1.1365 0.1714 -0.3783]" [*]OCCOC(=O)c1ccc2cc(C([*])=O)ccc2c1,"Poly(ethylene 2,6-naphthalate)",*CCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,394.575,GREA,392.0-397.0,"[393.15, 392.0, 397.0, 396.0]",4,2.349955673,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,20,1,2.2310261791652537,0,4,5,2,0,2,52.6,0.5,0,0.0,242.0579088,3,15,11.836864974384817,0.0,1.0555555555555556,0,0,0,0,8,2,0,1,6,0.3,6,2.2310261791652537,0,4,5,2,0,2,52.6,0.5,0,0.0,242.0579088,3,15,11.836864974384817,0.0,1.0555555555555556,0,0,0,0,8,2,0,1,6,0.3,6,Polyesters,Polyesters/thioesters,"[-1.6234e+00 -1.2275e-01 -5.2848e-01 7.0868e-01 -1.2244e+00 -4.6986e-01 8.0152e-01 -7.9498e-01 -5.1975e-01 9.5248e-01 2.0300e+00 8.1546e-02 -9.3102e-02 -9.3679e-01 -6.8872e-01 8.0940e-01 7.2157e-01 1.5852e+00 -1.1050e+00 -8.3523e-01 7.5695e-01 2.8882e-03 9.6404e-01 2.6192e-01 -1.2584e+00 -3.4520e-01 6.5172e-01 1.1166e+00 9.9385e-02 1.5578e-01 4.5851e-02 -2.9257e+00 6.8076e-01 -1.8453e-01 -1.5169e+00 -1.0058e+00 7.0201e-01 -2.1098e+00 1.1994e+00 -5.7483e-01 -3.6695e-01 -1.0697e+00 -3.3036e-02 -1.6993e-01 -1.0439e+00 1.6119e+00 5.9136e-01 -1.0059e+00 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8.3080e-02 1.8096e+00 -2.2053e+00 4.0102e-01 3.0274e-01 1.0317e+00 -1.5090e+00 -9.1259e-01 6.6132e-02 -1.1558e+00 -6.7541e-01 -3.7584e-01 -5.8964e-01 1.3258e+00 7.9141e-02 -5.1883e-02 -2.0281e+00 5.1990e-03 -1.2561e-01 7.1126e-01 1.0826e+00 -1.6810e+00 1.3478e+00 1.7015e+00 -7.4035e-02 -2.6668e+00 -1.5605e+00 2.0348e+00 4.1367e-01 8.6693e-01 9.6020e-01 5.3010e-01 1.4080e+00 -4.3407e-01 -8.0629e-01 -5.2414e-01 -2.9196e-01 -9.3160e-01 1.6466e-01 3.0365e-01 -9.6911e-02 4.8942e-01 -8.3376e-01 2.8545e-01 -9.6758e-01 -5.0023e-01 -2.4575e+00 -1.2823e+00 -3.7269e-01 -1.1433e+00 -8.1700e-01 5.4476e-01 -6.0144e-01 4.4233e-01 2.1846e-01 -1.9194e+00 -7.3202e-01 2.6112e-01 -1.8812e-01 -2.3156e+00 1.3539e+00 5.7936e-01 -3.6347e-02 5.5892e-01 -4.4645e-02 -1.1073e+00 1.4435e+00 -2.1738e+00 -7.1659e-01 -2.8095e-01 4.9372e-01 -1.4962e-01 3.7799e-01 6.5751e-01 5.0789e-01 -1.0605e-01 8.5209e-01 4.7715e-01 3.7179e-01 8.2636e-01 1.1965e+00 -1.5679e+00 -5.1472e-01 -1.4841e+00 -2.3810e+00 4.3922e-01 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-0.0852 0.2218 -0.1258 0.4481 -0.2151 0.8534 0.3733 -0.3471 -0.5456 0.1594 0.349 0.4579 0.2509 -0.4795 0.0377 -0.0661 0.2768 0.2942 0.5139 0.0086 -0.5801 0.0082 -0.6003 0.2794 0.4015 -0.0532 -0.5807 0.2603 -0.3609 0.0891 0.1781 0.045 -0.118 0.0806 0.22 0.0586 0.2862 0.3184 0.4837 -0.1844 0.5284 -0.2428 0.4753 -0.2229 -0.2588 0.6139 -0.2729 0.1743 0.3019 0.1555 -0.5212 0.4898 0.4323 -0.1669 -0.4943 0.1512 0.6269 -0.2523 -0.2896 -0.0609 0.5088 -0.1893 0.305 0.1825 -0.065 0.0717 0.0904 -0.15 -0.2202 0.1864 -0.2875 -0.1023 -0.0784 -0.0853 0.0784 -0.1115 -0.1801 0.0694 0.2661 -0.1645 -0.4842 -0.518 -0.2345 0.2477 -0.2199 -0.1563 0.1324 -0.3981 -0.0496 0.219 0.0231 0.8148 -0.1243 0.3045 -0.3771 -0.0373 -0.417 0.0065 0.2095 0.0226 -0.3406 -0.3363 -0.656 0.4453 -0.0052 -0.1038 0.2614 0.1605 0.1765 -0.6314 -0.3093 0.4741 0.6003 -0.224 -0.6101 -0.0344 0.0756 -0.1008 0.0059 -0.3956 0.6934 -0.4391 0.1406 -0.2287 -0.2832 -0.1869 0.1477 0.4383 0.1692 0.1351 0.0721 0.5783 0.244 0.1505 0.3304 0.0683 -0.0641 0.439 -0.2276 0.1109 -0.5986 0.3464 0.3793 0.0356 0.3246 0.4253 0.0993 0.2166 -0.1088 0.2787 -0.055 0.1146 -0.2867 -0.0615 -0.1034 0.2234 0.0894 0.1464 0.3446 -0.5242 -0.7649 -0.2926 -0.2935 -0.1937 0.5049 -0.7539 -0.097 -0.1044 0.0064 -0.0123 0.4133 -0.1676 0.3724 0.506 -0.5533 0.3656 -0.0441 -0.0513 -0.1345 0.6304 0.032 1.1383 0.2723 -0.4268 0.3483 0.2269 0.2778 0.5097 0.1391 0.2884 -0.0063 0.2506 0.023 0.149 0.2413 0.4722 -0.0081 0.0949 -0.2582 -0.0351]" [*]c1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n([*])c(=O)c5cc4c3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,*c1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,652.15,GREA,631.15-673.15,"[631.15, 673.15, 652.15]",3,21.0,gold,8,4.0,4,4,2,0.7857142857142857,0.5714285714285714,1.0,1.5714285714285714,4.5,3,6,9,1,4.647580015,0,0,0,0,0,0,0.0,0.0,0,0.0,140.0060694,8,0,19.33333333333333,13.35842818841618,2.0,6,6,0,0,6,0,0,0,0,1.5,6,30,1,1.7013781599513982,0,6,2,5,0,5,78.14,0.4,2,28.303434648669644,366.0640568,0,28,12.987400705155034,0.0,0.6071428571428571,0,0,0,0,4,4,0,2,6,0.2666666666666666,8,1.801771277493768,0,6,2,5,0,5,78.14,0.4,2,28.303434648669644,502.0388261,8,28,14.116804529606936,12.35259703488695,0.6111111111111112,6,6,0,0,12,4,0,2,6,0.3684210526315789,14,Polyimides,Polyimides/thioimides,"[ 0.0345 -0.8545 -0.709 0.8954 0.305 0.5777 0.5561 -0.0039 -2.1098 -0.421 0.3785 0.5622 -0.5787 -0.7151 0.318 -1.6086 -0.3383 -0.4763 -1.0729 -0.8197 -0.1571 -1.2134 0.6594 -0.0596 0.8145 0.0283 0.486 0.5053 -0.6996 -0.0606 0.7693 -1.0808 0.2284 -0.0909 0.1554 0.4004 1.3988 -0.2463 0.5291 -0.2104 -0.3797 -0.8999 -0.2786 0.6968 -1.1288 0.4282 0.495 -0.3373 0.0444 1.761 1.6831 -1.4534 -0.1499 0.3224 1.0825 -0.1429 0.3327 -0.368 -0.4938 1.0042 0.3286 0.8332 -1.108 0.2428 -0.0877 -1.1194 1.3734 0.2965 0.5891 -1.2286 -0.2981 -2.0759 0.1872 0.5754 0.2879 1.1952 0.2863 -0.2615 -0.3354 -1.3334 0.7754 -0.3657 0.1267 0.0322 0.349 0.7916 0.4444 1.1756 0.0338 0.7904 0.6208 -0.3199 -0.5083 0.2292 -0.211 0.3854 1.1806 -0.3741 0.7932 -1.3597 -0.1903 0.2351 -0.1513 1.2244 -0.12 -0.3114 -0.7146 -0.1704 0.5434 -0.5485 -0.2215 -0.4685 1.5396 0.1539 -1.2055 0.8274 -1.2212 -1.1883 0.4943 1.1242 0.0719 -0.2302 0.7549 -0.4249 0.1968 0.4796 1.4967 -1.0857 -0.0719 -0.0374 -1.0313 0.2931 0.2295 0.02 -0.284 0.4235 -0.9556 -0.1116 0.2855 0.1568 0.5595 -0.1278 -0.4015 -1.0338 -0.8976 0.241 -0.9235 0.44 -0.8566 0.3492 -0.0944 0.6136 0.631 0.0604 1.0217 0.3928 0.8077 0.5597 -1.3432 -0.2954 0.1792 0.8464 0.5936 1.3061 0.6597 -1.3433 -1.0114 0.4173 0.7005 -1.1072 -0.4287 -0.0471 0.901 0.872 0.2211 0.9314 0.1722 0.5921 -1.0063 -0.1108 -0.9347 -0.5053 -0.5205 -0.1039 -0.291 -0.9677 -0.5927 -0.0392 -1.2286 -1.2082 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0.6682 -0.1902 0.4242 -0.2717 -0.3421 0.7035 -0.3732 0.2682 0.1107 0.2474 -0.1489 -0.3396 -0.2485 0.3791 0.2294 -0.5293 -0.0629 -0.5414 0.0321 0.1761 0.8576 0.3468 -0.0372 -0.245 -0.2037 0.6697 0.5079 -0.6441 0.007 -0.2265 0.3165 0.4703 0.4525 0.1869 0.9492 0.0032 0.5283 -0.4414 0.8072 -0.0373 0.6035 0.1719 0.2042 -0.0807 0.3484 0.1279 0.2252 0.1251 1.1226 -0.2842 0.4386 0.3195 0.017 ]" [*]c1ccc(OC(=O)Oc2ccc(C([*])(C)CCC)cc2)cc1,"Poly[2,2-pentane bis(4-phenyl)carbonate]",*Oc1ccc(C(C)(CCC)c2ccc(OC(*)=O)cc2)cc1,410.0,GREA,409.0-410.15,"[410.15, 410.0, 409.0]",3,0.625166644,gold,3,3.0,3,3,1,1.5,1.5,1.5,1.5,1.0,1,1,1,1,1.6329931618554523,0,0,0,0,0,0,0.0,0.0,0,0.0,44.06260026,3,0,2.125,20.268296022307258,1.3333333333333333,0,0,0,0,2,0,0,0,0,0.0,0,20,1,1.953269683238636,0,3,3,2,0,2,35.53,0.0,0,15.540092976061707,240.0786442,2,16,11.669114543965737,13.344558822616634,1.0555555555555556,0,0,0,0,8,1,0,0,6,0.25,5,1.9735251115816568,0,3,5,2,0,2,35.53,0.0,0,15.540092976061707,282.1255944,5,16,11.834640175916556,32.60702369139466,1.0952380952380951,0,0,0,0,11,1,0,0,6,0.217391304,5,Polycarbonates,Polycarbonates/thiocarbonates,"[-0.0679 0.6515 -0.3118 0.4622 0.633 0.2888 0.4456 -0.5888 0.1791 1.0587 0.6909 0.0546 0.252 -0.3344 -0.2309 0.441 0.9244 0.2402 1.2011 -0.4591 1.3622 -0.2973 1.4212 -0.6977 -1.1072 0.7961 2.0664 -0.2036 -0.1624 0.7741 -1.3526 -0.1104 0.6919 0.0834 -1.6993 -0.3805 0.4817 -0.5962 0.2997 0.1791 0.3737 -0.1779 0.8139 1.6364 -0.3174 1.7918 -0.0995 -1.6639 -0.3985 -0.0417 -0.1163 0.0249 -0.24 0.1503 1.8087 0.1143 0.377 -0.3746 -0.8031 2.0596 -0.5046 0.6004 -0.8116 -0.4241 1.2406 0.3796 -0.5046 0.4726 -0.5558 -0.3393 -0.7271 -0.3598 0.8953 0.0696 0.4241 0.2013 -0.4979 -1.1574 -0.2649 0.0642 -0.86 0.2984 0.49 0.339 0.9177 0.5602 0.3213 0.0705 0.3314 0.0547 0.1596 0.1812 -1.5052 -1.578 -0.0059 1.1802 -0.2855 0.417 0.3368 0.1618 0.851 0.504 0.1388 -0.2815 1.2813 -0.7533 -1.8478 0.1088 -0.5174 0.8513 0.2891 0.4198 -0.2157 0.7846 0.179 0.4031 -0.4464 -0.2501 -1.3843 -0.4483 -1.3986 0.1992 -1.5677 -0.4564 -0.8344 -0.9873 0.1393 0.5351 -1.3656 -0.7863 0.446 -0.9786 -0.9508 0.1446 -0.6147 1.0345 -1.4429 -0.3569 -0.1731 1.0939 0.0302 -1.3234 0.0731 0.1416 0.8871 -0.2275 0.1469 0.3364 -0.2395 -0.3214 -0.9916 0.0152 -1.3281 -0.5569 0.4014 -0.6739 0.2232 0.5063 -0.29 0.2765 -0.0754 0.7055 0.5298 -0.0247 0.8055 0.2587 -0.0026 -0.2008 -0.0079 -0.411 -0.1378 -0.624 0.8553 0.9506 0.4731 1.2405 0.7012 1.089 -0.5636 0.499 0.599 -1.536 1.5806 0.3466 0.3261 -0.2013 -0.268 0.7386 -0.5401 -1.4541 -0.2451 0.2029 -0.9061 -0.2796 -0.0599 -0.1486 -0.1903 0.4329 -0.5556 0.5943 0.0259 -1.2215 -1.371 0.1308 0.6495 0.9045 -0.1637 -0.0378 1.5227 0.9041 0.5247 0.0734 0.6513 0.5786 0.6446 -0.5129 -0.8656 -0.8855 -1.6445 1.1857 -0.0543 -0.3786 -0.0384 1.5977 1.8953 -0.6304 -0.8835 -1.515 0.8275 0.2491 0.5835 0.5064 1.195 -0.6691 -0.2319 0.8031 0.7378 0.6391 0.7322 0.3079 0.2933 0.3747 -0.5154 -0.0602 0.7584 1.5473 -1.0776 -1.1571 -0.202 0.0201 0.293 0.1465 -0.8048 -0.3376 0.2984 -1.3309]","{C(=O)>}","[ 0.4946 0.5067 -0.4391 -0.1965 0.2459 0.2582 0.4035 -0.2106 0.1629 0.1495 -0.124 0.3876 0.2829 0.4408 -0.0077 0.4562 0.402 0.3104 0.3211 -0.1339 0.5863 0.0921 0.2757 -0.1029 -0.3833 0.4757 0.1747 -0.4141 0.0266 -0.0111 -0.8624 -0.1967 0.3871 0.2216 0.0292 -0.3147 -0.4007 -0.278 0.4487 -0.0716 0.3069 0.6861 -0.2363 0.5534 -0.2809 0.1739 -0.1098 -0.6887 0.0496 -0.3367 0.095 0.0712 -0.0375 0.0583 0.1644 0.3364 0.4873 -0.2573 -0.1638 0.2052 0.1194 0.0411 0.2557 -0.6422 0.3807 -0.0515 -0.9418 0.4616 -0.2168 -0.3026 0.2549 -0.0536 0.2221 -0.1579 -0.2672 -0.0093 -0.4018 -0.2144 0.5745 0.5117 0.0813 -0.2913 0.5034 0.0454 0.3959 0.1708 0.0986 0.2167 0.2607 0.0993 -0.1197 -0.211 -0.3515 -0.4609 0.2441 0.3005 -0.1 0.3875 -0.2531 0.1335 0.3193 0.3012 0.3096 -0.4249 0.3456 0.0244 -0.3982 -0.155 0.0923 0.2501 0.3479 -0.1341 0.2829 0.5968 -0.3546 -0.186 0.2869 -0.3202 -0.944 -0.7556 -0.1336 -0.3182 -0.1822 0.4157 -0.0746 -0.423 0.2293 -0.0862 -0.7399 0.2719 0.2036 -0.3987 -0.3579 0.3245 -0.2463 0.5118 -0.2262 0.3734 -0.0523 -0.2534 0.3545 -0.496 -0.3958 -0.1711 0.6162 -0.0821 0.3811 0.4023 -0.1441 -0.2572 -0.2644 0.1431 -0.3013 -0.071 0.2264 0.102 0.0667 -0.2579 -0.0639 0.2088 0.0135 0.2656 0.2928 -0.4756 0.2268 -0.1076 -0.0729 0.5511 0.0748 0.5651 -0.3758 0.12 0.3107 0.2275 -0.472 -0.187 0.0679 0.3477 -0.0979 -0.1418 0.5322 -0.3111 0.2634 0.5463 0.2289 -0.4461 -0.0365 -0.2414 -0.1162 -0.0365 -0.2323 -0.2705 -0.4285 0.2465 0.0688 -0.3504 -0.5097 -0.3669 -0.2216 0.1554 -0.0018 -0.101 -0.3951 0.2228 -0.0232 0.8357 0.3131 -0.0646 0.0387 0.1835 -0.147 -0.0889 0.4396 0.0978 0.0845 -0.3384 -0.2002 -0.6063 -0.2844 0.2801 0.1332 -0.0357 -0.0359 0.1464 0.4512 -0.3527 -0.8727 -0.1761 0.0773 -0.0637 -0.2088 0.4065 0.0152 -0.0258 -0.0158 -0.3625 0.1535 0.4933 -0.1759 -0.2559 -0.0796 0.2629 0.0371 -0.4554 0.1423 -0.1322 -0.1702 -0.8056 -0.1919 -0.1184 0.6323 -0.3582 -0.2836 -0.1588 -0.0881 -0.554 ]" [*]c1ccc(OC(=O)Oc2ccc(C([*])(CCC)CCC)cc2)cc1,"Poly[4,4-heptane bis(4-phenyl)carbonate]",*Oc1ccc(C(CCC)(CCC)c2ccc(OC(*)=O)cc2)cc1,421.0,GREA,420.0-421.15,"[421.15, 421.0, 420.0]",3,0.625166644,gold,6,3.0,3,3,2,1.5,1.5,1.5,3.0,1.0,1,1,2,1,3.2659863237109046,0,0,0,0,0,0,0.0,0.0,0,0.0,88.12520051199999,6,0,4.25,40.53659204461452,2.6666666666666665,0,0,0,0,4,0,0,0,0,0.0,0,19,1,1.9457819798927345,0,3,3,2,0,2,35.53,0.0,0,15.540092976061707,226.0629942,1,16,11.60478198223734,6.923737199690624,1.0,0,0,0,0,7,1,0,0,6,0.2631578947368421,5,2.011599850589086,0,3,7,2,0,2,35.53,0.0,0,15.540092976061707,310.1568946,7,16,11.937135329472316,45.44866693724667,0.9565217391304348,0,0,0,0,13,1,0,0,6,0.2,5,Polycarbonates,Polycarbonates/thiocarbonates,"[-0.2382 -0.0187 -0.4809 0.4558 0.6011 0.8071 0.8013 -0.9726 0.7392 1.0657 0.5212 0.5542 0.3129 -0.4109 0.0626 1.0755 1.0826 0.4126 0.9503 -0.4308 1.7395 0.3859 0.842 -0.8174 -0.6606 0.4623 1.8444 -0.0942 0.0256 0.066 -1.8044 0.0952 0.9161 0.1959 -1.1238 -0.5715 0.1268 -0.5468 -0.1095 0.287 0.7509 -0.0398 0.2667 1.4699 -0.7282 1.4715 -0.7621 -1.1407 -0.5578 0.15 -0.7374 -0.1094 0.2079 0.8311 1.714 0.8277 0.0335 -0.7291 -0.7651 1.5397 -0.417 0.4829 -0.4531 -0.3195 1.6498 0.3895 -0.3316 0.472 0.1466 -0.7958 -0.9727 -0.1079 0.4892 0.1587 0.5582 0.0457 -0.4578 -1.0352 -0.1516 0.3301 -0.3983 0.5315 1.0618 -0.0466 0.3783 0.3589 -0.0195 -0.0245 -0.0417 0.157 0.4045 -0.1154 -0.6855 -1.5991 -0.1503 0.6548 -0.1822 -0.0585 -0.062 0.2716 0.5905 0.6164 -0.3179 0.2934 1.3446 -0.8962 -1.5043 -0.0695 -0.9939 0.3243 0.5926 0.2671 -0.4014 0.8239 0.0724 0.4263 -0.3916 -0.4407 -1.3178 -0.2929 -1.1191 0.3204 -0.8051 0.1183 -0.6894 -1.0358 0.1694 0.1371 -0.8515 -0.6537 0.3041 -0.4546 -0.4516 0.2473 -0.7307 0.644 -1.4149 -0.0818 -0.1834 1.1124 0.2574 -1.7517 0.2978 -0.1327 0.254 -0.4382 0.1148 -0.0592 -0.7235 -0.7371 -0.3144 -0.3559 -0.6639 -0.3176 0.2571 -0.8689 0.5234 0.4007 -0.6157 -0.0654 -0.0233 0.6429 0.4539 0.1579 0.7303 0.4024 -0.4443 -0.3795 0.1213 -0.4945 -0.1894 0.0702 0.4412 0.9025 0.8414 1.2654 0.8132 0.3949 -0.1098 0.0545 0.8147 -1.5788 1.6761 0.2088 0.8934 -0.5633 -0.3092 1.2159 -0.575 -1.5053 0.1125 0.2413 -0.3088 0.1945 0.4315 -0.1442 -0.2436 -0.1954 -0.3505 1.016 -0.0287 -0.5897 -0.9118 -0.3638 0.1216 0.8534 -0.0552 0.8259 1.5101 0.9109 0.527 -0.2622 0.2233 0.2339 0.7449 -0.339 -0.4594 -1.0087 -1.6088 0.9051 -0.0881 0.0904 -0.3253 1.4156 1.4025 -0.536 -0.3464 -1.541 0.5175 0.3021 0.4333 0.3551 0.8889 -0.2578 -0.557 0.3317 0.4836 0.7801 0.7717 -0.0406 0.0357 0.0838 -0.1505 0.3216 0.865 1.6369 -0.5808 -1.8022 0.0224 0.6556 0.6565 -0.0052 -0.6109 -0.3804 0.1776 -1.4982]","{C(=O)>}","[ 5.9327e-01 1.8434e-01 -7.5195e-01 2.1554e-02 3.8157e-01 6.1165e-01 6.1817e-01 -8.2305e-02 1.3474e-01 7.7241e-02 -4.7309e-01 6.2001e-01 2.0444e-01 4.0561e-01 2.4800e-02 7.5275e-01 4.6265e-01 4.8740e-02 1.8236e-01 -6.7191e-02 9.6064e-01 2.2019e-01 1.0205e-01 -1.0046e-01 -2.2984e-01 4.2168e-01 3.1787e-01 -6.2727e-01 5.7196e-02 -2.7677e-01 -9.3030e-01 -3.0663e-01 3.0377e-01 1.9920e-01 3.1063e-01 -2.1959e-01 -4.0233e-01 -2.4944e-01 5.9132e-01 -2.8396e-02 4.5267e-01 7.0981e-01 -6.2097e-01 5.0848e-01 -3.4133e-01 -9.5343e-02 -3.1509e-03 -5.3762e-01 -3.1856e-01 -6.3799e-02 1.7412e-01 4.7325e-01 7.2849e-02 2.9291e-01 6.7569e-03 2.6855e-01 3.2830e-01 -5.9577e-01 -1.6153e-01 1.2102e-01 4.0759e-01 1.8777e-02 7.3589e-02 -9.6330e-01 6.8021e-01 -8.1776e-02 -9.9440e-01 6.4364e-01 -3.8233e-01 -3.8363e-01 1.9838e-01 5.5389e-02 7.4929e-02 1.3074e-01 8.2417e-03 -1.5169e-01 -4.0810e-01 -1.4037e-01 7.1696e-01 9.0649e-01 1.7747e-01 -7.0281e-02 7.4181e-01 1.7591e-01 2.1809e-01 4.0529e-01 -3.6327e-02 3.0563e-02 2.6337e-01 6.0728e-02 3.7024e-01 -6.0139e-01 -2.4740e-01 -1.7159e-01 5.6744e-01 2.8202e-01 5.9796e-02 3.4103e-01 -4.6696e-01 1.5409e-01 2.9628e-01 1.0160e-03 7.4515e-02 -1.5902e-01 4.3219e-01 -6.8342e-02 -5.0022e-01 -3.3093e-01 -4.5486e-02 -2.2148e-01 4.0780e-01 -2.8597e-01 2.6393e-01 3.7869e-01 -1.4314e-02 -8.7506e-02 2.3497e-01 -3.0128e-02 -8.0345e-01 -6.1850e-01 -1.0898e-01 -2.3526e-01 -1.5581e-01 3.9901e-01 -3.0714e-02 -2.9337e-01 3.6932e-01 -1.2166e-01 -5.9576e-01 1.1159e-02 -2.3171e-02 6.3893e-02 -2.8727e-01 4.7225e-01 -3.6218e-01 3.4782e-01 -5.8214e-01 6.5526e-01 1.5126e-01 -3.7472e-01 4.7503e-01 -5.6324e-01 -3.6185e-01 -1.6847e-01 6.8485e-01 -2.1367e-01 2.9796e-01 2.0314e-01 -3.5646e-02 -5.8255e-01 -1.0767e-02 2.1693e-01 -2.7708e-01 1.6032e-01 -3.3394e-02 1.2834e-01 6.9716e-02 -6.6119e-01 -1.9106e-01 2.4702e-01 2.6866e-01 1.9872e-01 -1.1061e-01 -3.2490e-01 4.3952e-02 2.1923e-01 -3.7345e-01 5.4275e-01 3.2236e-02 2.6360e-01 -3.7837e-01 2.8813e-01 4.3205e-01 5.5924e-01 -1.4625e-01 9.4605e-02 4.0752e-01 1.8465e-01 -2.3643e-01 -3.6734e-01 7.1528e-01 -3.5673e-01 3.7235e-01 6.3290e-01 4.2410e-01 -5.1887e-01 -8.7495e-02 8.8797e-02 1.3851e-02 8.4022e-02 4.8353e-02 -4.5401e-01 -4.2772e-01 4.3866e-01 3.7137e-01 -3.2654e-01 -4.3017e-01 -5.7374e-01 -5.5205e-02 4.1010e-01 -3.2932e-01 1.5541e-02 -3.2048e-01 1.2331e-01 2.1203e-02 6.8457e-01 2.1462e-01 -1.6280e-02 1.1880e-01 2.2110e-01 -7.3732e-02 -3.0998e-01 1.5142e-01 2.0642e-01 -3.5090e-02 -3.4479e-01 -4.3122e-01 -6.2532e-01 -1.7555e-01 4.3927e-01 3.0262e-01 -1.2812e-01 -3.7665e-01 2.1103e-01 4.2964e-01 -5.4444e-01 -4.9676e-01 -3.0381e-01 -1.4788e-01 -4.6782e-02 -3.1515e-01 3.8760e-01 4.1742e-01 -2.7087e-02 1.0645e-01 -4.5250e-01 6.4445e-02 9.2433e-01 -3.4300e-01 -2.3012e-01 -6.7734e-02 3.5931e-02 2.2692e-01 -4.8593e-01 -8.4827e-02 -2.0592e-01 -2.3264e-01 -1.0834e+00 -1.2483e-01 2.9442e-01 8.2884e-01 -6.7303e-02 -2.5054e-02 -9.1453e-02 -1.5287e-01 -7.0322e-01]" [*]c1ccc(OC(=O)Oc2ccc(C([*])C(C)C)cc2)cc1,"Poly[1,1-(2-methyl propane) bis(4-phenyl)carbonate]",*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C(C)C)cc1,422.0,GREA,421.0-422.15,"[422.15, 422.0, 421.0]",3,0.625166644,gold,3,3.0,3,3,1,1.5,1.5,1.5,1.5,1.0,1,1,1,1,1.6329931618554523,0,0,0,0,0,0,0.0,0.0,0,0.0,44.06260026,3,0,2.125,20.268296022307258,1.3333333333333333,0,0,0,0,2,0,0,0,0,0.0,0,19,1,1.9457819798927345,0,3,3,2,0,2,35.53,0.0,0,15.540092976061707,226.0629942,1,16,11.60478198223734,6.923737199690624,1.0,0,0,0,0,7,1,0,0,6,0.2631578947368421,5,1.9526581125288347,0,3,4,2,0,2,35.53,0.0,0,15.540092976061707,268.10994437200003,4,16,11.777344996640633,20.268296022307258,1.0,0,0,0,0,10,1,0,0,6,0.2272727272727272,5,Polycarbonates,Polycarbonates/thiocarbonates,"[-0.5051 0.2827 -0.9136 0.3032 0.1731 0.29 -0.0466 -0.5818 0.3858 0.3343 0.793 0.2666 0.3494 -0.7993 0.4207 -0.5497 1.1124 -0.4857 1.3671 -1.2589 0.8258 -0.5473 0.9632 0.4473 -0.9275 0.3548 1.3827 -0.6208 -0.2973 0.5228 -0.9153 0.2708 0.9665 0.8677 -1.445 -0.6938 0.5763 -0.7538 -0.4106 0.0196 -0.2436 0.1061 0.6468 0.9985 0.7086 1.0662 0.1891 -1.369 0.0298 -0.3306 -0.0815 -0.0457 -0.3482 -0.0749 1.9407 -0.2347 0.8485 -0.9925 -1.1113 2.2686 -0.2724 0.4132 -0.7247 0.206 0.6195 0.1555 0.311 0.0043 -0.3292 -0.3893 -0.6092 -0.7206 1.2172 0.1334 0.1411 -0.0682 -0.4935 -1.1596 -0.5688 0.2494 -0.5814 0.4474 -0.1447 0.3995 0.4444 0.3961 0.4078 -0.7291 0.0861 -0.25 -0.1573 0.1987 -0.9714 -1.7556 -0.0234 1.4303 -0.2226 0.4739 0.0161 0.434 0.5287 0.7706 0.0406 0.0185 0.8968 -0.9967 -1.2089 0.1589 -0.2776 0.8552 -0.0568 0.4826 0.3759 0.1845 -0.2444 0.0576 0.0214 -0.261 -1.4812 -0.2117 -1.1976 0.4326 -1.2271 -0.4269 -1.1834 -1.2901 0.3413 0.6808 -1.237 -0.139 0.9235 -0.4861 -1.1697 0.2467 -0.8356 0.6682 -1.1895 -0.4761 -0.5169 0.4538 0.0769 -1.1032 0.0306 0.2387 0.8098 0.2062 -0.2694 0.5682 -0.7909 -0.2631 -0.675 0.1427 -0.7751 -0.8304 0.8441 -1.2384 0.4271 0.456 -0.2259 0.3943 -0.259 0.1858 0.4184 -0.2805 1.1502 -0.2833 -0.3 -0.9842 0.3131 -0.6646 -0.3261 -0.9546 0.644 0.6324 0.3638 1.0928 0.648 0.8444 -0.7785 0.7838 -0.0796 -1.0827 1.0924 0.381 0.2927 -0.1254 -0.1789 0.2518 -0.9346 -0.9593 -0.9159 0.5698 -0.6336 -1.0114 -0.5163 0.3353 -0.6719 0.5098 -0.7601 0.0495 -0.0807 -1.1238 -1.4372 -0.059 0.9774 0.4032 0.2346 -0.3761 0.9243 0.4594 0.8481 0.2255 0.8084 0.5535 0.3693 -0.8758 -1.2834 -0.2995 -2.0347 0.2953 0.5968 0.0573 -0.4471 1.3624 2.1393 -0.2703 -0.566 -1.1181 0.5783 -0.1842 0.4542 0.8678 1.1744 -0.7465 0.3038 0.5363 0.5995 0.4033 0.7687 0.2446 0.6147 0.6382 -0.6106 0.0835 1.2355 1.1229 -0.8237 -0.4692 -0.6721 0.325 -0.0751 0.2755 -1.0987 -0.615 -0.2668 -1.2146]","{C(=O)>}","[ 5.1456e-01 5.2341e-01 -5.1810e-01 -6.6213e-02 1.3115e-01 -1.5840e-01 2.3363e-01 -1.3820e-01 9.6071e-02 3.1174e-01 -1.8418e-01 1.8630e-01 2.9828e-01 2.8977e-02 3.3181e-02 9.3129e-02 2.3612e-01 1.4793e-01 6.2089e-01 -1.0763e+00 6.7997e-01 -2.7799e-02 4.1312e-01 1.6527e-01 -1.8867e-01 -1.7855e-02 -9.4747e-02 -1.8676e-01 -2.1986e-01 3.8141e-01 -2.4454e-01 -2.8016e-01 9.9861e-02 2.7588e-01 -8.8791e-02 -4.9848e-01 -2.7495e-01 -3.4794e-01 4.5860e-02 -5.3518e-02 3.7047e-01 4.8512e-01 -2.3410e-01 2.8752e-01 2.1288e-01 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0.113 0.5751 0.4212 0.2765 -0.1353 0.3943 0.2208 0.3071 -0.0975 -0.368 -0.5072 -0.4143 0.2097 0.2051 -0.4553 -0.3332 0.485 0.7624 -0.1873 -0.4404 -0.4121 0.1081 0.0527 -0.1125 0.4238 0.4965 -0.2752 0.0382 -0.0554 0.0704 0.1519 0.0146 -0.5952 -0.0944 -0.2177 0.1461 0.0868 0.3115 -0.2755 -0.1902 -0.6485 -0.6222 -0.1836 0.5865 -0.6207 -0.4052 -0.5215 0.0044 -0.8268]" [*]c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n([*])c(=O)c5cc4c3=O)cc2)cc1,,*c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1,658.15,GREA,634.15-673.15,"[658.15, 634.15, 673.15]",3,19.67231557,gold,0,0.0,0,0,0,0.0,0.0,0.0,0.0,0.0,0,0,0,0,0.0,0,0,0,0,0,0,0.0,0.0,0,0.0,0.0,0,0,0.0,0.0,0.0,0,0,0,0,0,0,0,0,0,0.0,0,31,1,1.6051710242022608,0,7,3,5,0,5,87.37,0.4,2,33.04029760246969,382.0589714,0,29,12.97058252516062,0.0,0.6551724137931034,0,0,0,0,5,4,0,2,6,0.2903225806451613,9,1.6051710242022608,0,7,3,5,0,5,87.37,0.4,2,33.04029760246969,382.0589714,0,29,12.97058252516062,0.0,0.6551724137931034,0,0,0,0,5,4,0,2,6,0.2903225806451613,9,Polyimides,"Polyimides/thioimides, Polyoxides/ethers/acetals","[ 0.3379 0.2182 -1.4733 0.9654 0.2878 -0.2197 1.0897 -0.7436 -0.8936 1.102 1.216 1.069 -1.4757 -0.2787 0.4577 -0.9415 0.5925 -0.1802 -0.3801 -1.3761 0.3492 -0.4892 1.7798 -0.106 0.109 0.2046 1.6648 0.7222 -0.3158 0.4152 -0.229 -0.4541 0.9316 0.4233 0.0073 -0.0264 1.7815 -1.3469 0.233 0.1784 0.0174 -0.4694 0.4573 1.1862 -0.4003 0.9198 0.5067 -1.1473 -1.0325 1.3424 1.244 -0.4435 0.2553 -0.047 0.2036 -0.0572 0.0131 -0.7832 -0.5961 1.482 -0.2817 -0.0177 -0.9425 0.5683 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