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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396087 135027369 1 OSiSnC21H46 ABCD21E46 -165.5 1.53 -9.55 0.97 0
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396088 135027370 1 OSiSnC21H46 ABCD21E46 -128.9 1.83 -9.5 0.92 0
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396092 135027375 1 ClN6O9C22H23 AB6C9D22E23 -273.21 4.4 -9.49 -1.16 0
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396093 135027376 1 OS2N4C13H22 AB2C4D13E22 -46.07 6.74 -8.46 -0.6 0
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396094 135027377 1 OS2N4H18C22 AB2C4D18E22 80.49 5.26 -8.9 -0.98 0
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396096 135027379 1 SH2C4N8O9 AB2C4D8E9 24.18 5.98 -10.84 -2.89 0
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396097 135027380 1 F2O3C14H14 A2B3C14D14 -210.83 3.68 -10.02 -1.21 0
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396098 135027381 1 PSN3O3C15H18 ABC3D3E15F18 -93.18 6.4 -9.14 -1.03 0
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396099 135027382 1 ClPSN3O3C14H15 ABCD3E3F14G15 -94.47 4.04 -9.29 -1.14 0
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396100 135027383 1 ClPSN3O3C15H17 ABCD3E3F15G17 -108.3 3.95 -9.2 -1.17 0
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396101 135027384 1 PSN3O3C16H20 ABC3D3E16F20 -109.52 1.93 -8.95 -0.96 0
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396102 135027385 1 PSN3O3C14H16 ABC3D3E14F16 -84.07 6.87 -9.11 -1.21 0
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396103 135027386 1 ClO2N8H19C23 AB2C8D19E23 114.67 7.12 -9.26 -1.25 0
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396104 135027387 1 NSO3C19H21 ABC3D19E21 -59.14 4.76 -8.24 -0.71 0
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396105 135027388 1 OSC17H18 ABC17D18 9.02 4.22 -9.21 -1.0 0
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396106 135027397 4 OC6H6 AB6C6 -110.6 3.56 -9.42 -0.46 0
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396108 135027402 1 OC8H8 AB8C8 -17.79 3.45 -9.99 -0.56 0
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396109 135027405 1 N2C15H22 A2B15C22 13.69 1.68 -8.6 0.66 0
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396110 135027411 1 NSO2H17C19 ABC2D17E19 3.48 7.0 -8.51 -0.79 0
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396111 135027417 1 Si2O7C34H66 A2B7C34D66 -457.79 4.47 -8.62 0.43 0
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396112 135027418 1 Si2O7C32H62 A2B7C32D62 -446.01 4.78 -8.84 0.42 0
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396113 135027420 1 CuNO4H18C20 ABC4D18E20 -0.62 7.82 -8.36 -0.52 0
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396114 135027423 1 OC14H20 AB14C20 -45.42 2.41 -9.04 0.05 0
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396115 135027430 1 N2O4C19H20 A2B4C19D20 -49.55 4.67 -9.17 -0.44 0
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396116 135027440 1 SiO5C23H38 AB5C23D38 -259.76 3.37 -8.59 0.23 0
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396117 135027450 1 N5O6H13C15 A5B6C13D15 -41.51 10.27 -9.61 -1.72 0
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396118 135027463 1 NO6C82H135 AB6C82D135 -419.41 3.19 -9.46 -0.07 0
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396119 135027467 1 ON4H14C16 AB4C14D16 84.99 4.42 -8.99 -0.57 0
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396120 135027472 1 FN2O5H21C22 AB2C5D21E22 -195.78 4.08 -8.71 -0.44 0
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396121 135027474 1 O6C27H32 A6B27C32 -182.15 4.8 -8.62 0.02 0
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396122 135027487 1 N3O5H25C28 A3B5C25D28 -113.74 6.16 -8.39 -0.99 0
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396123 135027488 1 BrSO2N7H12C15 ABC2D7E12F15 86.22 8.09 -8.88 -1.17 0
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396124 135027489 1 ClO2F3N7H13C18 AB2C3D7E13F18 -85.66 8.87 -9.39 -1.13 0
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396125 135027498 1 ON2H16C18 AB2C16D18 44.72 5.92 -8.99 -0.72 0
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396126 135027499 2 NOH8C9 ABC8D9 14.38 6.75 -8.76 -0.72 0
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396127 135027505 1 SnO2C20H42 AB2C20D42 -147.63 3.89 -9.58 0.69 0
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396128 135027510 1 NSO2H17C22 ABC2D17E22 27.15 3.12 -8.71 -0.74 0
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396129 135027512 1 NO3H17C22 AB3C17D22 -5.62 2.03 -8.75 -0.86 0
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396130 135027513 1 NO2H23C30 AB2C23D30 50.22 5.27 -8.89 -0.6 0
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396131 135027515 1 ClNO3H24C31 ABC3D24E31 -1.02 2.96 -8.79 -0.77 0
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396132 135027516 1 Si3O6C37H72 A3B6C37D72 -485.68 1.86 -8.76 0.01 0
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396133 135027517 1 NBr2Cl3O3C16H22 AB2C3D3E16F22 -168.65 4.22 -10.19 -0.97 0
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396134 135027518 1 NCl3O4C16H20 AB3C4D16E20 -142.28 2.65 -9.99 -0.88 0
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396135 135027519 1 NCl3O3C16H20 AB3C3D16E20 -123.04 3.62 -9.87 -0.53 0
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396136 135027520 1 NCl3O5C16H20 AB3C5D16E20 -211.95 4.58 -9.95 -0.67 0
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396137 135027521 1 BrSN2H13C20 ABC2D13E20 111.38 2.91 -8.96 -1.16 0
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396138 135027523 1 ClSN2H13C17 ABC2D13E17 80.54 2.72 -9.07 -0.86 0
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396139 135027524 1 FO2N3C13H14 AB2C3D13E14 -4.77 10.24 -9.46 -1.3 0
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396140 135027527 1 N2O5C31H36 A2B5C31D36 -189.84 5.59 -9.06 -0.3 0
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396141 135027532 1 ON3C20H24 AB3C20D24 61.2 5.36 0.0 0.0 0
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396142 135027533 1 OF3H11C21 AB3C11D21 -79.63 1.15 -9.24 -1.48 0
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396143 135027534 1 SH16C24 AB16C24 108.41 0.53 -8.71 -0.69 0
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396144 135027535 1 NH17C25 AB17C25 113.01 2.7 -8.86 -0.75 0
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396145 135027536 1 NOPdH13C18 ABCD13E18 126.58 2.63 -7.11 -0.14 0
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396146 135027537 1 BrNO3C24H30 ABC3D24E30 -125.2 6.83 -9.5 -0.32 0
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396147 135027538 1 ClNO3C24H24 ABC3D24E24 -101.34 1.21 -9.58 -0.38 0
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396148 135027539 1 NCl2O3H23C24 AB2C3D23E24 -106.92 1.91 -9.59 -0.65 0
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396149 135027541 1 NSO3C22H23 ABC3D22E23 -86.73 2.15 -9.3 -0.41 0
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396150 135027542 1 O3H14C22 A3B14C22 -12.39 4.33 -9.04 -1.1 0
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396151 135027543 1 O2H18C21 A2B18C21 -5.23 2.77 -9.13 -0.81 0
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396152 135027544 2 NC13H14 AB13C14 41.37 2.5 -8.05 -0.24 0
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396153 135027546 1 ON7C13H15 AB7C13D15 113.57 6.07 -9.18 -0.76 0
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396154 135027547 1 SiO4C24H40 AB4C24D40 -223.35 2.98 -8.63 0.23 0
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396155 135027548 1 SSiO4C30H44 ABC4D30E44 -192.08 5.83 -8.41 -0.01 0
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396156 135027550 1 SiO6C28H48 AB6C28D48 -323.49 2.92 -8.61 0.23 0
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396157 135027551 1 BrSiO6C29H47 ABC6D29E47 -291.07 2.8 -8.68 -0.83 0
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396158 135027552 1 BrN2O3H11C16 AB2C3D11E16 -35.65 2.51 -9.66 -1.51 0
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396159 135027553 2 NO3H7C9 AB3C7D9 -159.6 6.74 -9.62 -1.56 0
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396160 135027554 1 N2O5H16C25 A2B5C16D25 -60.0 4.56 -9.22 -1.25 0
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396161 135027555 1 N2O3H16C18 A2B3C16D18 -57.9 3.26 -9.19 -1.39 -1
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396164 135027558 2 N2C5H9 A2B5C9 40.29 7.29 -10.49 0.11 0
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396165 135027559 1 NO2C9H15 AB2C9D15 -74.2 3.66 -9.88 0.5 0
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396166 135027561 1 O2N3H21C25 A2B3C21D25 4.67 5.32 -8.36 -0.29 0
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396167 135027562 3 O2C3H4 A2B3C4 -259.04 4.22 -10.66 -0.15 0
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396168 135027563 1 SN3O6C21H27 AB3C6D21E27 -209.19 7.79 -9.69 -0.35 0