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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394306 135022744 3 O3C11H14 A3B11C14 -391.12 5.82 -9.66 -0.74 0
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394307 135022745 1 NF3O3C19H22 AB3C3D19E22 -267.51 6.27 -10.04 -0.32 0
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394308 135022746 1 SiO3C20H34 AB3C20D34 -171.32 3.69 -8.63 0.35 0
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394310 135022748 1 NPSC25H26 ABCD25E26 63.69 0.65 -8.58 -0.19 0
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394311 135022749 2 NH9C11 AB9C11 95.62 2.56 -9.31 -0.83 0
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394312 135022756 1 O2C13H16 A2B13C16 38.63 3.05 -9.21 0.07 0
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394313 135022757 1 ON4C35H36 AB4C35D36 75.55 3.15 -8.98 -0.73 0
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394314 135022758 2 OC6H7 AB6C7 -50.78 0.76 -9.63 0.17 1
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394315 135022759 1 CrOH13C14 ABC13D14 88.66 4.37 0.0 0.0 0
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394316 135022760 1 ON3H15C16 AB3C15D16 76.78 3.7 -9.86 -0.41 0
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394317 135022761 1 NF3O7C17H28 AB3C7D17E28 -525.31 7.47 -10.64 -0.51 1
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394318 135022762 1 NO2C20H30 AB2C20D30 -63.68 2.31 0.0 0.0 0
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394319 135022763 2 NOSC16H18 ABCD16E18 6.19 7.13 -7.36 -1.12 0
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394320 135022764 1 NSO3C18H19 ABC3D18E19 -41.39 7.36 -8.26 -1.07 1
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394321 135022765 1 N2S2O3C32H39 A2B2C3D32E39 -50.42 6.02 0.0 0.0 0
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394322 135022766 1 N2S2O3C34H42 A2B2C3D34E42 -46.35 5.78 -7.82 -0.61 0
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394323 135022767 1 N2S2O3C34H42 A2B2C3D34E42 -58.03 6.43 -8.06 -0.66 0
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394324 135022768 2 NSO2C16H18 ABC2D16E18 46.82 14.23 -7.12 -2.13 1
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394325 135022769 1 N2S2O4C32H37 A2B2C4D32E37 6.51 3.88 0.0 0.0 2
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394326 135022771 2 NSO2C16H19 ABC2D16E19 3.94 10.21 -7.04 -1.36 0
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394327 135022772 2 NSO2C16H18 ABC2D16E18 10.82 12.12 -7.88 -2.03 1
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394328 135022773 1 N2S2O4C32H37 A2B2C4D32E37 2.07 1.27 0.0 0.0 0
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394329 135022775 1 O2N3C23H29 A2B3C23D29 -11.88 6.87 -8.87 -0.06 0
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394330 135022776 2 N2C9H10 A2B9C10 103.52 4.21 -9.17 -0.37 0
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394331 135022777 4 NOC5H6 ABC5D6 -94.22 3.76 -9.24 -0.18 0
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394332 135022778 1 N3O4C19H21 A3B4C19D21 -89.36 4.93 -8.78 -0.79 1
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394333 135022779 1 N3O4C19H22 A3B4C19D22 -74.93 3.84 0.0 0.0 0
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394334 135022780 1 ClNSiO4C32H46 ABCD4E32F46 -235.36 6.2 -8.64 -0.44 0
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394335 135022781 1 S2Si2O6C35H64 A2B2C6D35E64 -411.31 3.07 -8.65 -0.07 0
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394336 135022782 1 S2Si3O7C37H76 A2B3C7D37E76 -567.57 3.07 -8.74 0.15 0
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394337 135022783 2 SC17H17 AB17C17 79.89 0.02 -8.58 -1.08 0
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394338 135022784 2 BrSH16C17 ABC16D17 98.49 2.68 -8.72 -1.24 0
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394339 135022785 1 OSiC19H34 ABC19D34 -58.37 1.35 -9.64 0.75 0
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394340 135022786 2 OC7H13 AB7C13 -144.64 1.98 -10.27 1.05 0
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394342 135022788 1 Cl4O9C18H18 A4B9C18D18 -374.04 4.93 -10.26 -0.91 0
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394343 135022789 1 Si2O7C26H46 A2B7C26D46 -411.57 2.24 -8.66 -0.4 0
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394344 135022790 1 O9C18H22 A9B18C22 -370.22 5.15 -10.11 -0.78 0
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394345 135022792 1 NPO2H22C23 ABC2D22E23 -39.77 5.52 -8.87 -0.2 0
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394346 135022794 1 FOH13C15 ABC13D15 -28.29 1.53 -8.81 -0.49 0
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394347 135022797 1 NSO9C33H39 ABC9D33E39 -329.08 2.85 -9.29 -1.08 0
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394348 135022798 1 NSO7C28H33 ABC7D28E33 -214.17 10.23 -9.61 -0.04 0
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394349 135022799 1 NO8C34H39 AB8C34D39 -282.68 3.74 -9.34 -0.36 0
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394350 135022800 1 NO6C29H33 AB6C29D33 -180.45 5.44 -9.14 0.22 0
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394351 135022801 1 O11C62H66 A11B62C66 -280.13 0.69 -9.13 -0.09 0
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394352 135022802 1 O8C25H29 A8B25C29 -269.96 4.75 0.0 0.0 0
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394353 135022805 1 O2N4H16C17 A2B4C16D17 98.4 2.98 -9.91 -0.26 0
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394354 135022806 1 NO6C15H25 AB6C15D25 -312.69 3.29 -9.55 0.62 0
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394355 135022807 1 N4H14C17 A4B14C17 113.41 3.87 -8.72 -0.71 0
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394356 135022808 1 O4H16C17 A4B16C17 -114.94 3.81 -9.49 -0.87 0
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394357 135022833 1 S2O7C19H34 A2B7C19D34 -364.51 1.98 -9.06 0.13 0