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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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160513 57309861 1 SN2O7H14C18 AB2C7D14E18 -158.26 12.65 -9.08 -1.79 1
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160514 57309862 1 N3O5C16H20 A3B5C16D20 -123.46 5.83 0.0 0.0 0
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160515 57309863 1 FOS2N3H12C15 ABC2D3E12F15 13.12 0.71 -9.27 -1.74 0
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160517 57309865 1 O4C9H12 A4B9C12 -151.53 3.44 -9.34 -0.27 0
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160518 57309866 1 O3C6H8 A3B6C8 -105.52 4.6 -10.6 -0.32 0
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160519 57309867 1 NO2S3C12H15 AB2C3D12E15 -72.15 3.19 -8.52 -1.06 0
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160520 57309868 1 O3C20H36 A3B20C36 -159.81 5.94 -10.08 0.53 0
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160521 57309869 1 NO2C13H13 AB2C13D13 -27.78 4.38 -9.08 -0.58 1
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160522 57309870 1 SN2C5H11 AB2C5D11 33.4 7.69 0.0 0.0 0
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160523 57309871 1 BrN2O2C21H27 AB2C2D21E27 -66.86 5.08 -9.27 -1.04 0
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160525 57309873 1 NO5C31H31 AB5C31D31 -94.4 3.25 -8.3 -0.17 0
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160526 57309874 1 O3S3F5N7C13H20 A3B3C5D7E13F20 -280.69 10.02 -8.77 -0.73 0
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160527 57309875 1 OSN2C11H16 ABC2D11E16 -28.16 3.7 -8.49 0.16 0
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160528 57309876 1 SN5O6C21H27 AB5C6D21E27 -169.83 9.16 -8.88 -0.83 0
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160529 57309877 1 P3C6O13H15 A3B6C13D15 -790.16 7.19 -10.6 -0.34 0
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160531 57352489 1 N3O4C22H29 A3B4C22D29 -74.79 3.76 -8.22 -0.06 0
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160532 57388948 1 FN6O6C28H35 AB6C6D28E35 -255.09 4.22 -9.5 -1.54 0
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160534 57388958 1 FN5O7C42H47 AB5C7D42E47 -258.22 12.55 0.0 0.0 0
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160535 57388962 1 FOSN3C19H26 ABCD3E19F26 -42.18 3.7 -8.49 -0.24 0
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160536 57388969 1 OSN6C14H18 ABC6D14E18 27.48 2.97 -8.82 -0.95 0
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160537 57388971 2 ON3C9H12 AB3C9D12 -16.25 3.62 -8.92 -0.74 0
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160538 57388972 1 O2N6C17H24 A2B6C17D24 -18.68 6.82 -9.13 -0.8 0
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160539 57388982 1 FON3C16H16 ABC3D16E16 -45.4 4.27 -9.12 -1.12 0
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160540 57388992 1 ClS2F3O3N5H25C30 AB2C3D3E5F25G30 -138.12 7.15 -8.54 -0.82 0
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160541 57389000 1 F2O9N10C66H90 A2B9C10D66E90 -439.97 8.06 -9.28 -1.06 0
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160543 57389003 1 SO4C6N6H8 AB4C6D6E8 -58.45 5.94 -10.43 -1.87 0
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160544 57389005 1 SF3O4N6H13C14 AB3C4D6E13F14 -189.48 3.74 -8.91 -2.02 0
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160545 57389006 1 SF3O3N6C8H9 AB3C3D6E8F9 -176.12 6.14 -9.68 -2.02 0
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160546 57389007 1 S2O3N6C8H12 A2B3C6D8E12 -18.14 5.4 -9.48 -1.78 0
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160549 57389016 1 F3N3O3C26H26 A3B3C3D26E26 -235.92 3.02 -8.99 -0.88 0
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160550 57389017 1 F3O3N4C25H25 A3B3C4D25E25 -223.78 5.0 -9.56 -0.99 0
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160552 57389022 1 S2F3N4O7C29H29 A2B3C4D7E29F29 -313.47 7.15 -9.05 -1.08 0
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160553 57389024 1 SN3O4C27H33 AB3C4D27E33 -81.72 7.22 -9.03 -1.1 0
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160554 57389029 1 F2N5O5C23H25 A2B5C5D23E25 -243.85 5.94 -9.8 -1.26 0
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160556 57389035 1 SN2F3O4C18H19 AB2C3D4E18F19 -274.06 4.3 -9.08 -1.4 0
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160557 57389036 1 N2S2F3O4C19H21 A2B2C3D4E19F21 -271.84 6.44 -9.03 -1.3 0
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160558 57389038 1 SN2F3O5C19H19 AB2C3D5E19F19 -317.81 5.83 -9.96 -1.39 1
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160559 57389041 1 SN5O6C43H46 AB5C6D43E46 -135.03 5.9 0.0 0.0 0
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160560 57389043 1 OSN3C18H25 ABC3D18E25 10.31 1.16 -8.55 -0.31 0
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160561 57389044 1 ClSO2N3C20H30 ABC2D3E20F30 -66.0 3.08 -8.26 -0.3 0
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160562 57389047 1 ClSO2N3C21H32 ABC2D3E21F32 -72.63 1.01 -8.17 -0.27 0
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160563 57389049 1 ClSO2N3C22H34 ABC2D3E22F34 -81.13 5.57 -8.14 -0.29 0
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160565 57389059 1 ClON3C16H16 ABC3D16E16 -6.53 2.7 -8.94 -1.1 0
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160566 57389061 1 ClON3H14C16 ABC3D14E16 25.66 4.57 -8.98 -1.15 0
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160567 57389071 1 NF3C16H16 AB3C16D16 -104.72 2.63 -9.49 -0.87 0
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160569 57389074 1 FNCl2C16H16 ABC2D16E16 -32.28 2.59 -9.46 -0.92 0
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160570 57389075 1 SO3F4N6C30H30 AB3C4D6E30F30 -224.6 4.6 -8.38 -0.74 0
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160571 57389080 1 O2Cl3N4H19C23 A2B3C4D19E23 -16.63 8.07 -8.53 -0.82 0
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160572 57389089 1 SO3N6C8H8 AB3C6D8E8 41.44 7.02 -10.0 -1.82 0
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160573 57389090 2 SO2N3C5H7 AB2C3D5E7 -56.25 5.07 -9.43 -1.86 0
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160574 57389092 1 S2O4N6C9H14 A2B4C6D9E14 -53.08 8.04 -9.46 -1.72 0
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160575 57389105 1 F3N3O4C27H28 A3B3C4D27E28 -275.88 1.34 -8.82 -0.96 0
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160576 57389108 1 F3N3O4C28H28 A3B3C4D28E28 -275.67 8.95 -9.42 -1.13 0
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160577 57389110 1 ClSN2O3H17C20 ABC2D3E17F20 -28.43 8.39 -9.44 -1.36 0
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160578 57389114 1 ClSO2N3C22H22 ABC2D3E22F22 3.15 4.5 -9.22 -1.14 0
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160581 57389121 1 ClON7H22C24 ABC7D22E24 113.89 5.99 -8.83 -1.0 0
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160582 57389125 1 F2N5O5C25H25 A2B5C5D25E25 -192.25 6.99 -9.62 -1.01 0
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160583 57389127 1 F3N5O5C26H28 A3B5C5D26E28 -305.29 6.45 -9.55 -1.26 0
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160584 57389131 1 SF3N3O3C19H22 AB3C3D3E19F22 -234.3 6.65 -9.49 -1.24 1
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160585 57389134 1 N6O6C40H45 A6B6C40D45 -152.02 14.28 0.0 0.0 1
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160586 57389136 1 SN5O6C39H44 AB5C6D39E44 -145.66 4.29 0.0 0.0 0
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160587 57389139 1 SN2O5C23H28 AB2C5D23E28 -185.52 6.48 -9.06 -0.99 0
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160588 57389140 1 SN2O5C23H28 AB2C5D23E28 -185.89 3.74 -9.02 -1.14 0
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160589 57389141 1 NSO5C24H29 ABC5D24E29 -195.68 8.62 -8.98 -0.69 0
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160590 57389144 1 OSN6C12H12 ABC6D12E12 43.5 3.66 -8.55 -0.9 0
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160591 57389147 1 OSN6C16H18 ABC6D16E18 45.74 3.95 -8.77 -1.19 0
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160592 57389148 1 OSN6C16H18 ABC6D16E18 40.39 3.61 -8.79 -1.22 0
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160593 57389154 1 O2N4C15H16 A2B4C15D16 -16.58 3.97 -8.73 -0.78 0
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160594 57389155 1 ON4H14C17 AB4C14D17 66.61 6.73 -9.26 -1.41 0
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160595 57389156 1 OSN3C15H15 ABC3D15E15 15.26 3.98 -8.45 -1.07 0
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160598 57389166 1 ClN2O4C13H13 AB2C4D13E13 -116.63 4.53 -10.34 -1.2 0
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160600 57389175 1 FON5H26C30 ABC5D26E30 53.47 5.28 -8.86 -0.6 0
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160601 57389176 1 ON4H20C26 AB4C20D26 105.61 2.39 -8.97 -1.14 0
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160602 57389177 1 O2N3H25C27 A2B3C25D27 25.23 5.77 -8.87 -0.72 0
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160603 57389182 1 SF3O3N6C7H7 AB3C3D6E7F7 -173.88 6.46 -10.14 -2.07 0
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160605 57389188 1 SF3O3N5H6C7 AB3C3D5E6F7 -185.17 5.56 -10.54 -2.0 0
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160608 57389194 1 F3O3N4C26H27 A3B3C4D26E27 -230.52 9.48 -9.45 -1.17 0
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160611 57389209 1 FON7H22C24 ABC7D22E24 77.05 5.45 -8.72 -1.04 0
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160614 57389216 1 FN5O5C24H28 AB5C5D24E28 -202.46 4.23 -9.23 -1.32 0
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160615 57389220 1 ClON3C19H24 ABC3D19E24 -24.16 3.5 -9.08 -0.98 0
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160617 57389228 1 O3N4C23H26 A3B4C23D26 -61.25 8.83 -9.39 -1.04 0
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160618 57389230 2 ON3C8H9 AB3C8D9 12.13 3.25 -9.15 -1.23 0
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160619 57389235 1 ON3C16H23 AB3C16D23 -46.85 4.92 -9.16 -0.52 0
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160621 57389237 2 ON2C8H11 AB2C8D11 -77.55 4.97 -9.41 -0.72 0
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160622 57389241 1 FON4H13C16 ABC4D13E16 -4.77 4.44 -9.49 -1.59 0
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160623 57389246 1 N2O6H18C19 A2B6C18D19 -158.83 2.03 -8.88 -1.07 0
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160624 57389250 1 SiO3C13H24 AB3C13D24 -134.01 1.21 -8.87 0.92 0
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160625 57389252 2 NO2C10H15 AB2C10D15 -88.41 12.84 -9.23 -2.19 0
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160626 57389255 1 NPO8C9H18 ABC8D9E18 -438.73 5.02 -10.38 0.41 0
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160627 57389258 1 ON4H22C26 AB4C22D26 101.54 4.06 -8.61 -0.58 0
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160628 57389260 1 FON7H24C27 ABC7D24E27 70.85 3.47 -8.68 -1.02 0
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160630 57389269 1 SF3O3N5C8H8 AB3C3D5E8F8 -198.69 6.84 -10.24 -1.83 0
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160631 57389273 1 SO3N6C9H10 AB3C6D9E10 29.25 8.01 -9.92 -1.67 0
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160634 57389282 1 F3N3O4C27H28 A3B3C4D27E28 -280.62 6.32 -9.18 -1.01 0
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160635 57389284 1 F3O3N4C28H31 A3B3C4D28E31 -248.69 3.71 -9.36 -0.78 0
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160636 57389285 1 FO2N6H23C25 AB2C6D23E25 -22.18 4.61 -9.52 -1.14 0
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160637 57389290 1 NSO3C5H9 ABC3D5E9 -118.23 4.49 -10.96 0.09 0
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160638 57389291 1 SN2O5C13H20 AB2C5D13E20 -174.93 5.55 -10.25 -0.1 0
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160639 57389292 1 SO11N12C40H62 AB11C12D40E62 -500.81 13.08 -9.02 -0.23 0
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160640 57389293 1 S2N9O9C34H53 A2B9C9D34E53 -413.75 5.2 -9.33 -0.2 0