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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
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393188 135019651 1 NO3H19C22 AB3C19D22 -62.46 3.49 -8.49 -0.55 0
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393189 135019653 1 SN3O12H15C19 AB3C12D15E19 -191.72 4.91 -11.01 -3.15 0
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393190 135019675 1 NO2C23H25 AB2C23D25 32.44 1.85 -9.02 0.22 0
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393191 135019678 1 NOS2C15H17 ABC2D15E17 11.28 7.05 -8.42 -0.76 0
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393192 135019686 1 NO4C23H23 AB4C23D23 -74.31 3.96 -8.38 -0.52 0
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393193 135019689 1 ClNO4C17H18 ABC4D17E18 -66.15 8.02 -8.9 -1.26 0
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393194 135019691 1 O3C8H10 A3B8C10 -111.69 1.76 -9.15 -0.17 0
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393195 135019696 1 SiO2C18H32 AB2C18D32 -168.87 3.78 -8.58 0.78 0
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393196 135019697 1 NO2I3C26H34 AB2C3D26E34 -53.01 3.71 -8.77 -1.71 0
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393198 135019701 1 N2O7C26H36 A2B7C26D36 -290.56 5.52 -8.89 0.02 0
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393199 135019702 1 OSH22C23 ABC22D23 135.86 4.07 -8.54 -0.29 0
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393200 135019703 2 O3C13H22 A3B13C22 -329.65 4.59 -10.43 -0.64 0
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393201 135019704 1 ClNSO2H20C22 ABCD2E20F22 -23.82 7.39 -8.96 -0.56 0
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393202 135019705 1 O2C19H20 A2B19C20 -55.93 1.94 -9.11 -0.14 0
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393203 135019726 1 O3N5H21C22 A3B5C21D22 -36.77 2.74 -8.77 -0.76 0
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393204 135019727 1 ON5C15H17 AB5C15D17 23.22 3.82 -8.73 -0.77 0
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393205 135019728 2 O2N3C14H15 A2B3C14D15 -87.11 1.83 -8.94 -0.74 0
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393206 135019731 1 N2C21H24 A2B21C24 89.07 4.52 -9.16 -0.03 0
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393207 135019740 1 O6C17H20 A6B17C20 -229.5 6.26 -8.9 -1.08 0
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393208 135019745 1 NSiO3C44H51 ABC3D44E51 -96.17 2.18 -8.67 -1.13 0
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393209 135019747 1 NO14H55C67 AB14C55D67 -251.37 13.04 -8.31 -2.06 -4
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393210 135019749 1 PdN2F4C7H8 AB2C4D7E8 -114.88 10.23 -8.51 -0.9 1
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393211 135019750 1 O2N3C5H10 A2B3C5D10 -27.29 3.94 0.0 0.0 0
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393214 135019756 1 NO6C25H35 AB6C25D35 -228.09 2.54 -8.33 -0.19 0
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393215 135019757 1 NO8C31H41 AB8C31D41 -349.08 4.37 -8.74 -0.06 0
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393216 135019758 1 NSi3O6C43H75 AB3C6D43E75 -406.87 3.11 -8.2 0.29 0
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393217 135019761 1 NSiO4C22H33 ABC4D22E33 -219.65 5.91 -8.97 -0.77 0
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393218 135019762 1 NSiO4C22H35 ABC4D22E35 -247.58 1.45 -8.71 0.0 0
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393219 135019763 1 NSiO2C18H29 ABC2D18E29 -140.03 3.95 -8.95 -0.07 0
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393220 135019767 1 N4O9C36H54 A4B9C36D54 -391.18 6.12 -8.02 -0.16 0
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393221 135019769 1 SN7O11C29H39 AB7C11D29E39 -370.52 15.01 -9.25 -1.19 0
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393222 135019771 1 IN2O3H25C27 AB2C3D25E27 -1.36 5.73 -8.4 -1.05 0
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393223 135019774 1 N2H22C23 A2B22C23 86.74 3.0 -8.65 -0.37 0
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393224 135019775 1 NO4H17C20 AB4C17D20 -105.72 1.16 -10.12 -1.87 0
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393225 135019776 1 SF3O4H21C27 AB3C4D21E27 -253.62 2.71 -9.12 -1.76 0
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393226 135019778 1 NO15C22H33 AB15C22D33 -660.37 3.91 -10.22 -0.2 0
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393227 135019780 1 NH33C60 AB33C60 686.51 23.06 -6.28 -2.3 0
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393228 135019781 1 SiO2C28H36 AB2C28D36 -61.4 2.86 -9.06 -0.06 0
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393229 135019782 1 Si2O3C38H60 A2B3C38D60 -243.43 1.96 -8.67 0.02 0
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393230 135019783 1 SSiN2O6C31H52 ABC2D6E31F52 -251.63 6.22 -8.88 -1.73 1
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393231 135019785 1 OCl2N2C5H5 AB2C2D5E5 -12.59 4.95 0.0 0.0 1
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393232 135019786 1 O2H9C10 A2B9C10 -3.26 1.39 0.0 0.0 0
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393233 135019787 1 BrNO3C19H20 ABC3D19E20 -113.47 2.01 -8.69 -0.89 0
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393234 135019791 1 NSO6C27H29 ABC6D27E29 -176.47 4.31 -8.84 -0.38 0
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393235 135019792 1 NSO6C26H27 ABC6D26E27 -163.38 6.16 -9.06 -0.59 0
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393236 135019793 1 BrNSO6C26H26 ABCD6E26F26 -159.49 6.61 -9.14 -0.71 0
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393237 135019820 2 O2H13C14 A2B13C14 -15.26 5.75 -8.8 -0.77 0
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393238 135019827 2 OC9H10 AB9C10 -59.91 1.48 -9.18 -0.07 0
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393239 135019833 2 NO4C9H14 AB4C9D14 -356.83 1.68 -9.7 -0.77 0
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393240 135019838 1 OSC12H18 ABC12D18 -33.79 3.01 -9.27 -0.32 0