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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395620 135026030 1 N3F4O5H21C25 A3B4C5D21E25 -337.92 1.5 -8.98 -0.43 0
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395621 135026032 1 N2O2F3H15C17 A2B2C3D15E17 -197.16 6.33 -9.26 -1.23 0
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395622 135026036 1 OH18C24 AB18C24 71.35 0.94 -8.46 -0.62 -1
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395623 135026040 1 OPdH15C18 ABC15D18 91.73 3.46 0.0 0.0 0
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395624 135026042 1 O5H28C32 A5B28C32 -25.15 4.23 -8.48 -0.55 0
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395625 135026043 1 OC12H18 AB12C18 -17.39 2.41 -8.52 0.02 0
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395626 135026044 1 ON2C29H42 AB2C29D42 -36.6 4.4 -8.04 -0.67 0
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395627 135026047 1 SeN2H14C15 AB2C14D15 72.85 3.7 -8.2 -0.71 0
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395628 135026053 1 O7C12H22 A7B12C22 -335.61 4.3 -10.38 -0.61 0
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395629 135026055 1 ON2C27H32 AB2C27D32 -5.26 5.0 -9.19 -0.4 0
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395630 135026057 1 O2H24C25 A2B24C25 -28.13 2.53 -8.81 -0.6 0
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395631 135026059 1 N6O8C41H48 A6B8C41D48 -291.34 3.82 -8.64 -0.34 0
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395632 135026060 1 SO13N16C58H88 AB13C16D58E88 -628.89 6.1 -8.75 -0.28 0
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395633 135026062 1 N2C19H24 A2B19C24 132.47 3.03 -8.15 -1.21 0
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395634 135026063 1 SN2O2F3C18H23 AB2C2D3E18F23 -219.98 3.49 -8.48 -0.54 0
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395635 135026064 2 O5C8H11 A5B8C11 -465.37 2.38 -10.85 0.47 0
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395636 135026065 2 O5C8H11 A5B8C11 -473.37 4.95 -10.8 0.5 0
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395637 135026068 1 O5H26C27 A5B26C27 -106.56 4.73 -8.79 -0.36 0
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395638 135026069 1 O9C19H20 A9B19C20 -364.86 3.02 -10.12 -0.72 1
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395639 135026070 1 O7C19H23 A7B19C23 -260.21 6.18 0.0 0.0 0
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395640 135026071 1 O3C14H17 A3B14C17 -96.77 3.04 0.0 0.0 0
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395641 135026072 2 NOC8H8 ABC8D8 -7.13 5.26 -9.05 -0.39 0
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395642 135026074 1 N7C11H11 A7B11C11 184.58 3.46 -9.95 -0.49 0
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395643 135026078 1 N2O2F3C17H17 A2B2C3D17E17 -194.21 4.48 -9.37 -1.22 0
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395644 135026079 1 ClON2H17C18 ABC2D17E18 2.62 5.53 -8.62 -0.22 1
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395645 135026083 3 NC6H6 AB6C6 155.74 3.32 0.0 0.0 0
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395646 135026084 1 BrN2O4C16H19 AB2C4D16E19 -178.46 2.38 -9.76 -0.51 0
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395647 135026088 1 NO7C19H27 AB7C19D27 -307.48 3.5 -9.64 -0.04 0
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395648 135026089 1 NO7C21H31 AB7C21D31 -325.37 1.57 -9.6 0.02 0
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395649 135026090 1 NF3O3C19H20 AB3C3D19E20 -256.36 3.59 -9.42 -0.16 0
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395650 135026092 1 NF3O3C14H16 AB3C3D14E16 -274.14 3.1 -9.73 -0.14 0
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395651 135026108 1 N3O3F5H20C26 A3B3C5D20E26 -205.66 5.33 -8.29 -1.22 2
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395652 135026119 2 N2O2H9C10 A2B2C9D10 48.97 2.57 -5.7 -3.38 0
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395653 135026121 1 NOH17C21 ABC17D21 46.62 2.38 -7.92 -0.12 0
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395654 135026124 1 NS2O4H25C27 AB2C4D25E27 -62.36 3.0 -8.76 -0.9 0
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395655 135026136 1 NO3C17H25 AB3C17D25 -120.98 2.7 -9.76 -0.15 0
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395656 135026140 1 NO5C19H25 AB5C19D25 -188.34 2.94 -9.5 0.12 0
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395657 135026143 2 O3C12H22 A3B12C22 -337.29 2.35 -9.22 -0.14 0
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395658 135026146 1 NO4C17H21 AB4C17D21 -154.82 4.12 -8.33 -0.53 0
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395659 135026156 1 IN2C13H15 AB2C13D15 58.97 5.3 -8.5 -0.57 0
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395660 135026157 1 SO2H18C22 AB2C18D22 13.81 2.35 -8.28 -0.54 -1
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395662 135026174 2 IH6C10 AB6C10 112.12 1.68 -9.24 -0.9 0
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395663 135026182 1 NO3H21C27 AB3C21D27 28.18 3.65 -8.84 -0.51 0
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395664 135026184 1 ClO2H17C19 AB2C17D19 -28.96 2.05 -9.36 -0.56 0
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395665 135026191 1 BrN2O5C16H21 AB2C5D16E21 -222.19 1.28 -9.64 -0.53 0
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395666 135026194 1 OC20H24 AB20C24 -5.18 1.34 -8.63 0.18 0
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395667 135026201 1 N3O5C28H31 A3B5C28D31 -157.14 1.57 -8.06 -0.31 0
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395668 135026208 1 BrN4O4C26H29 AB4C4D26E29 -103.34 3.42 -8.64 -0.54 0
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395669 135026214 1 NOH23C28 ABC23D28 66.54 6.82 -8.48 -0.32 -1
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395670 135026217 1 NPdO5C6H12 ABC5D6E12 -139.56 1.99 0.0 0.0 0