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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393558 135021035 1 N3O3H17C25 A3B3C17D25 52.35 4.46 -9.26 -1.49 0
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393559 135021036 1 FOC12H17 ABC12D17 -95.26 1.41 -9.32 0.42 0
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393560 135021037 1 NO2H19C27 AB2C19D27 107.15 6.37 -9.02 -1.33 0
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393561 135021038 1 S2N3O8H29C30 A2B3C8D29E30 -172.0 11.57 -8.66 -1.79 0
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393562 135021039 1 S2N3O3H13C17 A2B3C3D13E17 26.78 3.2 -8.86 -1.05 1
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393563 135021040 1 S2N3O3H14C17 A2B3C3D14E17 24.35 4.12 0.0 0.0 0
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393564 135021041 1 O2N4H18C21 A2B4C18D21 51.38 0.82 -9.23 -0.85 1
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393565 135021042 1 O2N4H19C21 A2B4C19D21 47.57 3.26 0.0 0.0 0
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393566 135021043 1 O3C13H14 A3B13C14 -122.0 2.55 -9.77 -0.64 0
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393567 135021044 1 O2H18C21 A2B18C21 13.94 3.98 -9.33 -0.38 0
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393568 135021047 1 N3O10C16H23 A3B10C16D23 -371.71 4.12 -9.99 -0.22 0
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393569 135021054 1 SiO5C23H46 AB5C23D46 -267.92 2.48 -8.81 1.06 0
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393570 135021055 1 SiO5C23H46 AB5C23D46 -289.33 2.81 -8.97 0.91 0
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393571 135021056 1 SiO5C23H46 AB5C23D46 -273.88 1.42 -8.78 1.1 0
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393572 135021057 1 NSC16H19 ABC16D19 99.15 2.22 -8.28 -0.41 0
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393573 135021058 2 NO2C7H9 AB2C7D9 -151.38 2.75 -8.45 0.02 0
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393574 135021059 1 NSO2C25H27 ABC2D25E27 6.49 4.68 -8.7 -0.4 0
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393575 135021060 1 NSO2C31H35 ABC2D31E35 17.2 5.54 -8.97 -0.33 0
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393576 135021061 1 NSO4C24H25 ABC4D24E25 -84.24 7.94 -9.36 -0.44 0
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393577 135021077 1 NO2C15H21 AB2C15D21 -50.52 1.93 -8.95 0.04 0
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393578 135021078 1 NO3C7H9 AB3C7D9 -102.42 5.01 -10.28 0.41 0
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393579 135021089 1 ON2H22C23 AB2C22D23 66.22 2.19 -8.78 -0.57 0
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393580 135021139 1 O2C13H14 A2B13C14 -66.44 1.21 -9.01 -0.01 -8
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393581 135021140 1 NSRh2O4C23H47 ABC2D4E23F47 -299.37 43.34 -9.95 -2.67 -8
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393582 135021141 1 NRh2O4C22H41 AB2C4D22E41 -187.7 17.7 -9.22 -4.06 0
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393583 135021143 1 N3O3H19C30 A3B3C19D30 85.76 4.11 -9.34 -1.52 1
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393584 135021144 1 NO4C20H26 AB4C20D26 -121.24 2.97 0.0 0.0 0
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393585 135021145 1 SiO3C22H30 AB3C22D30 -123.96 1.84 -8.94 0.16 0
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393586 135021146 1 NOC16H19 ABC16D19 -14.78 3.5 -8.11 -0.29 0
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393587 135021148 1 NSO6C27H31 ABC6D27E31 -194.28 3.4 -8.82 -0.36 0
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393588 135021149 1 BrNO3C17H24 ABC3D17E24 -114.9 4.82 -10.46 -0.29 0
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393589 135021159 1 O13C19H26 A13B19C26 -599.03 1.92 -10.7 0.4 0
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393590 135021160 1 O7C27H34 A7B27C34 -260.58 3.34 -9.3 0.0 0
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393591 135021162 1 ClON2C21H21 ABC2D21E21 44.29 3.0 -9.02 -0.24 0
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393592 135021165 1 O3C18H20 A3B18C20 -120.72 2.97 -9.6 -0.61 0
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393593 135021172 1 NSO4C16H23 ABC4D16E23 -149.59 4.66 -8.2 -0.48 0
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393594 135021174 1 SN3O3C25H27 AB3C3D25E27 -56.39 8.61 -8.6 -0.71 0
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393595 135021176 1 N5H11C14 A5B11C14 151.35 3.04 -9.12 -0.8 0
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393596 135021177 1 NO2C16H23 AB2C16D23 -89.76 4.15 -8.38 0.32 0
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393597 135021178 1 ClNO3H18C23 ABC3D18E23 -46.68 5.07 -9.22 -1.13 0
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393598 135021179 1 F3N4O4C25H29 A3B4C4D25E29 -293.28 3.53 -9.21 -1.23 0
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393599 135021180 1 SN3O3H15C16 AB3C3D15E16 -32.69 8.39 -10.47 -0.94 0
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393601 135021182 1 SN2O2C14H14 AB2C2D14E14 -1.34 8.38 -9.87 -0.78 0
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393602 135021183 1 SO2N3H19C21 AB2C3D19E21 34.74 10.2 -9.82 -0.69 0
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393603 135021184 1 SO2N3H19C21 AB2C3D19E21 33.39 8.41 -9.9 -0.7 0
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393604 135021186 1 SO2N3C16H17 AB2C3D16E17 5.79 7.2 -9.61 -0.71 0
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393605 135021187 1 SN3O3H13C15 AB3C3D13E15 -33.04 6.73 -10.42 -0.98 0
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393606 135021188 1 O3C13H16 A3B13C16 -122.12 3.39 -9.06 -0.48 0
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393607 135021189 1 OSi2C23H46 AB2C23D46 -147.32 2.57 -8.99 0.59 0
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393608 135021191 1 O3C13H16 A3B13C16 -116.42 3.51 -9.05 -0.64 0