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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393133 135019482 1 O3N5C15H15 A3B5C15D15 -4.34 5.67 -9.03 -0.86 0
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393136 135019485 1 NO6C15H23 AB6C15D23 -235.27 2.73 -9.94 -0.49 0
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393137 135019486 1 O5C26H46 A5B26C46 -284.16 0.88 -9.74 0.77 0
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393138 135019488 1 NO2H15C16 AB2C15D16 -22.28 3.79 -9.55 -0.33 0
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393139 135019489 1 NO6C11H21 AB6C11D21 -256.59 1.32 -10.21 0.08 0
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393141 135019516 1 O11C12H22 A11B12C22 -503.62 3.03 -10.69 0.11 1
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393142 135019529 1 O2Si2C14H27 A2B2C14D27 -114.13 3.17 0.0 0.0 1
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393143 135019536 1 BrNZnC20H23 ABCD20E23 -77.75 4.66 0.0 0.0 1
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393144 135019538 1 BrNZnC20H23 ABCD20E23 -78.0 13.56 0.0 0.0 0
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393145 135019539 1 NC20H25 AB20C25 29.21 1.35 -8.6 0.28 0
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393147 135019554 1 ON2C27H40 AB2C27D40 3.72 1.53 -8.71 -0.05 0
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393148 135019558 1 O2H5N5C7 A2B5C5D7 110.45 5.68 -10.13 -1.73 0
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393149 135019562 1 N3O4C22H29 A3B4C22D29 -117.91 4.16 -8.61 0.0 0
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393150 135019563 1 ON2F6H14C17 AB2C6D14E17 -320.76 1.87 -9.08 -1.36 0
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393151 135019588 1 N2O3C21H30 A2B3C21D30 -156.44 4.72 -8.92 -0.18 0
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393152 135019589 2 N2O7C13H22 A2B7C13D22 -612.33 9.73 -9.23 0.16 0
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393153 135019592 3 OC7H10 AB7C10 -110.68 2.97 -9.49 0.23 0
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393154 135019593 1 O4C21H32 A4B21C32 -186.12 1.88 -9.35 0.27 0
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393155 135019594 2 O3C8H8 A3B8C8 -224.73 8.48 -8.81 -0.99 0
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393156 135019595 1 ON2C17H20 AB2C17D20 -16.17 4.45 -8.39 0.1 0
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393157 135019597 1 N2O3C12H20 A2B3C12D20 -139.63 4.06 -10.15 -0.01 0
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393158 135019600 1 O21C25H44 A21B25C44 -928.8 6.53 -9.93 0.06 0
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393159 135019601 1 SO6C35H36 AB6C35D36 -153.81 2.89 -8.37 -0.04 0
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393160 135019602 1 O12C57H62 A12B57C62 -350.88 2.05 -9.25 0.13 0
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393161 135019603 2 O3C14H16 A3B14C16 -180.91 2.72 -9.42 0.04 0
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393162 135019604 1 BrON2H13C18 ABC2D13E18 112.88 2.12 -8.99 -0.85 0
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393163 135019607 1 SN2O10C28H42 AB2C10D28E42 -353.69 5.98 -9.69 -1.87 0
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393164 135019610 1 Si2O5C39H60 A2B5C39D60 -296.86 3.47 -8.83 0.16 0
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393165 135019611 1 SiO3C34H48 AB3C34D48 -142.91 3.88 -8.8 0.25 0
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393166 135019613 1 ClO3C20H23 AB3C20D23 -137.7 2.77 -9.49 -0.23 0
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393167 135019615 1 NCl2O5H13C18 AB2C5D13E18 -148.61 6.56 -9.34 -1.35 0
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393168 135019616 1 NCl2O5H13C18 AB2C5D13E18 -149.7 5.38 -9.43 -1.5 0
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393169 135019617 1 NC15H21 AB15C21 33.43 1.77 -8.38 0.5 0
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393170 135019618 1 O3H18C20 A3B18C20 -58.61 2.29 -8.56 -0.82 0
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393171 135019619 1 NSiO4C31H39 ABC4D31E39 -189.72 4.65 -8.93 -0.04 0
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393172 135019620 1 NSiO4C33H41 ABC4D33E41 -174.93 4.97 -8.98 -0.34 0
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393173 135019621 1 INSiO3C28H34 ABCD3E28F34 -130.12 3.49 -8.92 -1.17 0
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393174 135019622 2 O2C10H15 A2B10C15 -192.36 3.81 -9.57 0.28 0
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393176 135019625 1 NSO4C19H21 ABC4D19E21 -123.05 3.42 -9.84 -0.33 0
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393177 135019626 1 NSO10H35C41 ABC10D35E41 -267.05 6.89 -9.83 -0.64 0
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393178 135019627 1 SN2O12H32C34 AB2C12D32E34 -416.78 7.49 -9.97 -1.22 0
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393179 135019632 1 NO2F4C9H11 AB2C4D9E11 -308.74 2.15 -10.45 0.3 0
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393180 135019633 1 NC13H15 AB13C15 78.74 10.07 -6.94 -0.76 0
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393181 135019634 1 BrMgZnO5H29C34 ABCD5E29F34 -96.1 3.36 -8.15 -1.65 0
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393182 135019636 1 NO5H27C28 AB5C27D28 -140.52 2.73 -8.3 -1.07 1
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393183 135019637 1 NO3C19H20 AB3C19D20 -82.21 2.27 0.0 0.0 0
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393184 135019638 1 N2O3C19H26 A2B3C19D26 -49.83 3.48 -8.57 -0.63 0
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393185 135019641 1 NO2C15H19 AB2C15D19 -63.53 3.56 -9.53 -0.07 0
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393186 135019642 1 SiO6C36H54 AB6C36D54 -328.52 3.24 -8.97 0.19 0
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393187 135019649 1 SiF2O5C22H34 AB2C5D22E34 -355.42 4.57 -8.78 -1.14 0