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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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35550 7980019 1 SN3O3C23H29 AB3C3D23E29 -85.3 1.35 -8.67 -0.27 0
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35551 7980020 1 FON2C17H19 ABC2D17E19 -47.39 2.54 -9.99 -0.9 0
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35552 7980021 1 ClSN2O2C21H25 ABC2D2E21F25 -55.82 3.61 -8.88 -0.54 0
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35553 7980022 1 O2N3C21H21 A2B3C21D21 -3.35 1.25 -9.13 -1.18 0
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35554 7980023 1 ClON2C17H19 ABC2D17E19 -10.11 1.81 -9.82 -1.29 0
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35555 7980024 1 N2O3C24H24 A2B3C24D24 -42.15 1.66 -9.28 -0.54 0
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35556 7980025 1 N2O2F3C19H19 A2B2C3D19E19 -194.39 5.44 -9.81 -1.13 0
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35557 7980026 1 ClN2O3C22H27 AB2C3D22E27 -102.26 2.57 -8.75 -0.47 0
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35558 7980027 1 N3O3C20H23 A3B3C20D23 -74.23 5.22 -9.58 -0.4 0
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35559 7980028 2 NO2C11H14 AB2C11D14 -122.91 2.25 -8.26 -0.49 0
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35560 7980031 1 N2O3C24H24 A2B3C24D24 -40.26 2.05 -9.15 -0.64 0
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35561 7980032 1 O2N3C19H19 A2B3C19D19 1.44 5.55 -9.28 -1.29 0
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35562 7980035 2 NO2C10H12 AB2C10D12 -119.19 1.93 -9.09 -0.35 0
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35563 7980036 2 NOC10H12 ABC10D12 -53.25 1.91 -9.28 -0.38 0
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35564 7980039 1 N2O2C21H26 A2B2C21D26 -51.62 2.36 -9.49 -0.37 0
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35565 7980040 1 N2O2C21H26 A2B2C21D26 -51.5 2.44 -9.39 -0.31 1
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35566 7980042 1 NC17H26 AB17C26 21.44 3.29 0.0 0.0 0
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35567 7980043 1 NC17H25 AB17C25 4.65 1.51 -8.89 0.03 0
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35568 7980044 1 SN2O2C20H24 AB2C2D20E24 -43.79 0.99 -9.02 -0.5 0
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35569 7980046 1 NO2C17H27 AB2C17D27 -84.87 1.41 -8.26 0.26 0
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35570 7980047 1 Cl2N2O2C19H20 A2B2C2D19E20 -60.55 2.84 -9.56 -0.7 0
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35571 7980049 1 N2O2F3C20H21 A2B2C3D20E21 -203.49 4.97 -9.56 -0.7 0
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35572 7980050 1 N2O2C17H22 A2B2C17D22 -40.99 1.97 -9.23 -0.63 0
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35573 7980052 1 SN2O2C23H24 AB2C2D23E24 -17.01 1.02 -9.01 -0.92 0
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35574 7980054 1 N2O3C22H26 A2B3C22D26 -82.58 1.78 -8.82 -0.34 0
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35575 7980055 1 N3O4C24H27 A3B4C24D27 -68.56 4.48 -9.26 -0.35 0
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35576 7980056 1 N2O4H20C21 A2B4C20D21 -95.64 4.57 -9.57 -1.7 0
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35577 7980057 2 NOC10H12 ABC10D12 -49.97 1.07 -8.83 -0.44 1
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35578 7980058 1 NC17H26 AB17C26 13.02 2.19 0.0 0.0 0
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35579 7980059 1 NC17H25 AB17C25 5.17 1.61 -8.86 0.14 0
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35580 7980060 1 N3O4C20H21 A3B4C20D21 -22.25 5.59 -9.14 -1.56 1
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35581 7980061 1 NO2C17H28 AB2C17D28 -66.98 4.69 0.0 0.0 0
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35582 7980062 1 SN3O3C23H29 AB3C3D23E29 -95.32 5.22 -9.05 -0.78 0
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35583 7980063 1 N3O4C24H27 A3B4C24D27 -66.47 5.1 -9.24 -0.52 0
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35584 7980064 1 O3N4C22H24 A3B4C22D24 -48.95 3.65 -9.32 -1.03 0
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35585 7980065 1 N3O3C22H25 A3B3C22D25 -81.9 4.81 -9.04 -0.53 0
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35586 7980066 2 NOC11H14 ABC11D14 -54.67 1.93 -9.22 -0.32 0
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35587 7980069 1 ClN3O3C21H24 AB3C3D21E24 -91.86 1.36 -9.64 -0.71 0
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35588 7980070 1 N2S2O3C14H20 A2B2C3D14E20 -138.49 4.47 -8.31 -0.06 0
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35589 7980071 1 ClN3O3C21H24 AB3C3D21E24 -96.04 2.88 -9.72 -0.53 0
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35590 7980072 1 N2S2O3C14H20 A2B2C3D14E20 -133.61 6.59 -8.72 -0.42 0
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35591 7980073 1 N3O4C24H29 A3B4C24D29 -124.54 4.76 -8.16 -0.5 0
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35592 7980074 1 N3O4C24H29 A3B4C24D29 -124.13 3.86 -8.24 -0.66 0
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35593 7980075 1 N2O3C23H30 A2B3C23D30 -98.06 1.86 -8.84 -0.31 0
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35594 7980076 1 SN2O2C20H24 AB2C2D20E24 -39.37 3.21 -8.58 -0.46 0
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35595 7980079 1 N2O4C25H26 A2B4C25D26 -103.33 0.64 -7.88 -0.28 0
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35596 7980080 1 N2O4C25H26 A2B4C25D26 -103.46 0.55 -7.88 -0.4 0
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35597 7980082 1 N2O5C24H24 A2B5C24D24 -133.21 1.2 -7.92 -0.52 0
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35598 7980083 1 NO4C19H21 AB4C19D21 -132.98 5.02 -8.82 -0.23 0
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35599 7980085 1 NO5H23C24 AB5C23D24 -124.89 4.8 -8.56 -0.18 0
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35600 7980086 1 BrNO4H16C17 ABC4D16E17 -113.93 0.68 -9.37 -0.44 0
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35601 7980087 1 NO4C19H21 AB4C19D21 -127.38 4.88 -9.06 -0.09 0
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35602 7980088 1 NSO3C17H17 ABC3D17E17 -77.82 2.37 -9.01 -0.52 0
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35603 7980089 1 SN3O3H15C17 AB3C3D15E17 21.84 6.68 -9.13 -1.56 0
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35604 7980090 1 BrNO3C13H14 ABC3D13E14 -94.26 5.45 -8.97 -0.44 0
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35605 7980091 1 BrNO3C13H14 ABC3D13E14 -94.86 5.16 -8.99 -0.45 0
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35606 7980092 1 BrN2O2H13C19 AB2C2D13E19 23.65 4.72 -9.52 -1.62 0
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35607 7980093 1 N3O4H11C13 A3B4C11D13 -67.22 5.54 -11.16 -1.48 0
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35608 7980094 1 N2O3C19H24 A2B3C19D24 -120.93 6.18 -9.6 -1.62 0
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35609 7980096 2 NO2H8C12 AB2C8D12 -44.99 7.5 -9.4 -1.66 0
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35610 7980097 1 ClNO3H16C19 ABC3D16E19 -71.91 4.18 -8.67 -0.9 1
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35611 7980098 1 NO2C13H20 AB2C13D20 -36.96 4.99 0.0 0.0 0
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35612 7980099 1 NO2C13H19 AB2C13D19 -56.61 4.55 -8.93 0.15 0
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35613 7980100 1 O4H16C17 A4B16C17 -115.61 3.93 -9.01 -0.57 0
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35614 7980101 1 N2S2O3C17H20 A2B2C3D17E20 -93.29 2.08 -9.06 -1.13 0
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35615 7980102 1 N2S2O3C17H20 A2B2C3D17E20 -93.24 2.34 -9.11 -1.13 0
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35616 7980103 1 FON2C17H19 ABC2D17E19 -46.9 1.95 -9.98 -0.96 0
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35617 7980104 1 ClON2C17H19 ABC2D17E19 -8.77 1.99 -9.84 -1.0 0
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35618 7980105 1 FON2C17H19 ABC2D17E19 -47.88 1.55 -9.83 -1.27 0
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35619 7980106 1 ClON2C17H19 ABC2D17E19 -9.48 2.43 -9.83 -1.3 1
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35620 7980107 1 NC17H26 AB17C26 13.63 2.15 0.0 0.0 0
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35621 7980108 1 NC17H25 AB17C25 5.94 1.56 -8.88 -0.01 1
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35622 7980109 1 NO2C17H28 AB2C17D28 -66.11 4.05 0.0 0.0 0
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35623 7980110 1 NO2C17H27 AB2C17D27 -83.66 1.3 -8.22 0.3 1
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35624 7980111 1 NC17H26 AB17C26 14.79 2.15 0.0 0.0 1
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35625 7980113 1 NO2C17H28 AB2C17D28 -65.45 3.53 0.0 0.0 0
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35626 7980114 1 N2S2O3C14H20 A2B2C3D14E20 -139.68 4.33 -8.31 -0.05 0
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35627 7980115 1 N2S2O3C14H20 A2B2C3D14E20 -134.68 5.77 -8.74 -0.44 0
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35628 7980116 1 SN3O3H15C17 AB3C3D15E17 23.0 6.58 -9.13 -1.55 0
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35629 7980117 1 BrNO3C13H14 ABC3D13E14 -94.8 5.92 -8.96 -0.42 0
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35630 7980118 1 BrNO3C13H14 ABC3D13E14 -94.39 5.85 -8.96 -0.44 0
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35631 7980119 1 OSN3H21C23 ABC3D21E23 66.3 3.32 -8.83 -1.06 0
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35632 7980120 1 FO2N3H18C24 AB2C3D18E24 1.84 4.32 -8.88 -0.94 0
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35633 7980121 1 ClSN2O3H15C16 ABC2D3E15F16 -19.09 3.71 -9.29 -1.38 0
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35634 7980122 1 N2Cl3O3H13C17 A2B3C3D13E17 -81.82 4.59 -9.14 -1.46 0
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35635 7980123 1 NO4H23C25 AB4C23D25 -86.47 5.91 -8.5 -1.11 0
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35636 7980124 1 NO4H23C25 AB4C23D25 -84.43 4.37 -8.67 -1.21 0
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35637 7980125 1 O2S2N5H13C17 A2B2C5D13E17 144.41 6.36 -9.26 -1.62 0
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35638 7980126 1 FNO3H20C26 ABC3D20E26 -64.01 2.03 -8.73 -1.34 0
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35639 7980127 1 FNO3H20C26 ABC3D20E26 -64.52 2.86 -8.74 -1.36 0
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35640 7980128 1 N2O5H22C23 A2B5C22D23 -117.81 5.69 -8.6 -1.24 0
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35641 7980129 1 N2O4C25H26 A2B4C25D26 -99.61 1.74 -8.84 -1.53 0
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35642 7980130 1 N3O5H21C23 A3B5C21D23 -127.4 3.08 -8.84 -1.46 0
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35643 7980131 1 N3O5H21C23 A3B5C21D23 -124.8 1.69 -8.64 -1.38 0
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35644 7980134 1 NO3H23C27 AB3C23D27 -28.32 2.5 -8.71 -1.27 0
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35645 7980135 1 NO3H21C26 AB3C21D26 -19.28 2.16 -8.71 -1.26 0
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35646 7980136 1 FNO3H18C25 ABC3D18E25 -56.51 1.77 -8.72 -1.32 0
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35647 7980137 1 NO4H19C26 AB4C19D26 -37.4 4.72 -8.64 -1.28 0
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35648 7980138 1 SO2N6H12C16 AB2C6D12E16 142.32 7.88 -9.37 -1.62 0
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35649 7980139 1 NO4C24H29 AB4C24D29 -155.35 6.77 -8.5 -0.49 0