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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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606 3066 1 N5O5C33H37 A5B5C33D37 -157.17 5.65 -8.44 -0.08 0
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607 3067 1 N5O5C31H39 A5B5C31D39 -189.17 9.13 -8.55 -0.63 0
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608 3068 1 O12C29H46 A12B29C46 -582.84 12.62 -9.79 0.74 0
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609 3069 1 N7O12C21H41 A7B12C21D41 -513.38 2.07 -9.2 0.7 0
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610 3073 1 PO3C7H17 AB3C7D17 -228.39 1.92 -10.52 1.27 0
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611 3080 1 OS2C3H8 AB2C3D8 -52.95 1.75 -9.12 0.05 0
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612 3081 1 NO3C5H7 AB3C5D7 -136.33 2.7 -11.05 -0.4 0
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613 3082 1 NPS2O3C5H12 ABC2D3E5F12 -207.92 7.06 -9.2 -0.81 0
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614 3086 1 C4O5H6 A4B5C6 -200.11 1.19 -11.92 -1.08 0
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615 3087 1 NO5C43H86 AB5C43D86 -365.45 3.81 0.0 0.0 1
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616 3089 1 O2S2N3C19H25 A2B2C3D19E25 -28.02 5.1 -7.86 -0.82 0
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617 3090 1 O2N3C5H7 A2B3C5D7 18.98 5.86 -10.12 -1.15 0
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618 3092 1 N3O5H7C8 A3B5C7D8 -33.48 5.18 -11.28 -2.16 0
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619 3093 2 O2C9H17 A2B9C17 -246.84 2.09 -10.79 0.61 0
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620 3095 1 NO3C24H27 AB3C24D27 -86.9 0.83 -7.89 0.13 0
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621 3096 1 O15C28H32 A15B28C32 -591.99 6.32 -9.1 -1.28 0
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622 3097 2 O2H6C7 A2B6C7 -110.22 3.97 -8.51 -0.85 0
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623 3100 1 NOC17H21 ABC17D21 7.43 1.37 -8.82 0.21 0
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625 3102 1 OH10C13 AB10C13 18.62 3.43 -9.95 -0.7 0
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626 3104 1 P3N5C11O12H18 A3B5C11D12E18 -638.47 3.18 -9.11 -0.59 0
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627 3105 1 NO5C19H29 AB5C19D29 -225.79 5.88 -8.88 -0.06 0
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628 3106 1 NO2C14H23 AB2C14D23 -89.66 3.08 -8.44 -0.02 0
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629 3107 1 N3O4C17H31 A3B4C17D31 -219.29 7.67 -9.93 0.37 0
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630 3108 4 ON2C6H10 AB2C6D10 -130.67 4.62 -8.01 -0.79 0
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631 3110 1 SN3O4C13H16 AB3C4D13E16 -74.02 11.66 0.0 0.0 -1
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632 3112 2 NO4C10H12 AB4C10D12 -320.83 7.43 -9.94 -0.93 0
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633 3114 1 ON3C21H29 AB3C21D29 -13.84 3.06 -8.24 -0.39 0
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634 3115 1 O4N9C22H27 A4B9C22D27 -72.76 6.6 -8.52 -0.42 0
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636 3117 2 NS2C5H10 AB2C5D10 11.54 1.91 -8.3 -1.24 0
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637 3119 2 ON3C23H25 AB3C23D25 120.93 0.74 -3.99 -3.14 2
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638 3120 1 OCl2N2C9H10 AB2C2D9E10 -36.2 6.85 -8.92 -0.42 0
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639 3121 2 OC4H8 AB4C8 -124.53 5.0 -10.74 0.71 0
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640 3122 1 NPO5C7H16 ABC5D7E16 -298.37 4.5 -10.4 0.68 0
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641 3123 1 NPO5C8H18 ABC5D8E18 -307.79 7.53 -9.84 0.79 0
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642 3124 1 ON5C7H11 AB5C7D11 -4.43 7.05 -8.2 -0.06 0
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643 3125 1 NO3C10H13 AB3C10D13 -120.85 5.67 -9.3 -0.3 0
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644 3128 1 ClNC10H14 ABC10D14 -2.08 2.93 -9.12 0.01 0
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645 3129 1 N2O3C23H38 A2B3C23D38 -155.91 5.11 -8.87 -0.06 0
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646 3132 1 NSO3C12H15 ABC3D12E15 -115.67 5.76 -9.53 -0.16 0
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647 3133 1 O4C19H20 A4B19C20 -105.28 5.13 -8.54 -0.78 0
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648 3136 2 O2H5C6 A2B5C6 -88.74 2.37 -8.83 -1.85 0
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649 3140 2 HN2O3C4 AB2C3D4 44.19 1.67 -10.52 -3.92 0
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650 3142 1 SN2O8C21H30 AB2C8D21E30 -335.17 1.56 -8.86 -0.76 0
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651 3144 2 OC11H16 AB11C16 -52.13 5.58 -9.43 0.51 0
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652 3145 2 OC11H17 AB11C17 -74.55 4.88 -9.44 0.57 0
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653 3146 2 OC11H19 AB11C19 -122.21 5.62 -9.73 0.81 0
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654 3147 1 N2O2C23H23 A2B2C23D23 26.78 3.69 0.0 0.0 1
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655 3148 1 N2O3C19H20 A2B3C19D20 59.83 13.33 -7.27 -1.5 0
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656 3150 1 NO6C15H21 AB6C15D21 -255.6 1.9 -9.93 0.02 0
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657 3151 1 ClO2N5C22H24 AB2C5D22E24 -39.47 4.72 -8.75 -0.49 0
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658 3154 1 N2S3O4C10H16 A2B3C4D10E16 -133.16 4.69 -9.45 -1.43 0
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659 3155 1 NSC19H21 ABC19D21 55.23 1.57 -8.32 -0.08 0
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660 3157 1 N5O5C23H25 A5B5C23D25 -102.85 8.27 -8.43 -0.66 0
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661 3159 1 FN2O5C9H11 AB2C5D9E11 -251.32 4.16 -10.22 -1.1 0
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662 3160 1 NO11C27H31 AB11C27D31 -415.1 5.54 -8.72 -1.4 0
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663 3162 1 ON2C17H22 AB2C17D22 10.19 1.19 -8.82 -0.13 0
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664 3163 1 N5O6C27H31 A5B6C27D31 -153.26 2.81 -8.69 -0.52 0
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665 3164 2 NOC9H13 ABC9D13 -78.68 3.97 -8.62 -0.48 0
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666 3165 2 ClNO2C6H6 ABC2D6E6 -138.49 3.14 -9.4 -1.01 0
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667 3166 1 NO2C20H31 AB2C20D31 -102.73 2.11 -8.62 0.18 0
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668 3167 2 OC10H16 AB10C16 -149.44 2.34 -9.75 0.73 0
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669 3170 1 O3C23H36 A3B23C36 -190.82 1.89 -9.67 0.8 0
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670 3171 1 NO5C9H11 AB5C9D11 -193.77 5.7 -9.13 -0.53 0
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671 3172 1 BrClNC11H15 ABCD11E15 5.32 2.11 -9.11 -0.16 0
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672 3173 1 NNa2O2S2C4H5 AB2C2D2E4F5 -156.37 2.73 -7.86 -0.18 0
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673 3175 1 N3O8C26H27 A3B8C26D27 -239.47 3.52 -8.31 -1.01 0
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674 3176 1 N3O7C25H25 A3B7C25D25 -197.27 3.7 -8.18 -0.87 0
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675 3178 1 O3N4C26H27 A3B4C26D27 -27.43 7.53 0.0 0.0 1
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676 3179 1 O3N4C26H26 A3B4C26D26 -22.0 6.55 -8.55 -0.7 0
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677 3180 1 NO2C18H27 AB2C18D27 -85.76 5.05 -8.62 -0.33 0
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678 3181 1 O2C21H28 A2B21C28 -41.66 8.27 -8.3 -0.47 0
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679 3183 1 BrN2O5C11H13 AB2C5D11E13 -196.34 6.56 -9.2 -0.85 0
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680 3184 1 SN3O3C21H29 AB3C3D21E29 -20.68 21.68 -4.13 -1.4 2
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681 3185 1 SN3O3C21H27 AB3C3D21E27 -83.67 5.04 -8.65 -0.52 0
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682 3188 1 N2O5C15H26 A2B5C15D26 -222.65 1.42 -9.75 -0.68 0
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683 3189 1 N2O5C17H30 A2B5C17D30 -228.91 4.6 -9.6 -0.38 0
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684 3190 1 N3O9H43C44 A3B9C43D44 -134.87 10.82 -8.46 -1.7 0
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685 3193 1 O4C21H36 A4B21C36 -209.58 3.92 -9.41 0.5 0
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686 3194 1 NOSeH9C13 ABCD9E13 34.27 3.75 -8.37 -1.32 0
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687 3196 1 SO5C20H28 AB5C20D28 -241.85 8.9 -9.68 -0.51 0
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688 3197 1 S2N12O12C51H64 A2B12C12D51E64 -365.17 12.71 -8.13 -1.77 0
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689 3204 1 PN2O7C35H39 AB2C7D35E39 -211.85 6.93 -8.25 -1.06 0
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690 3205 1 SN4O6C22H30 AB4C6D22E30 -202.36 4.33 -9.52 -1.14 0
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691 3206 1 ON5C14H23 AB5C14D23 -20.24 1.05 -9.02 -0.46 0
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692 3207 2 OC10H18 AB10C18 -135.36 5.28 -9.66 0.71 0
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693 3210 2 OC10H17 AB10C17 -112.43 5.04 -9.42 0.58 0
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694 3211 1 O7N8C21H36 A7B8C21D36 -317.54 4.43 -9.59 -0.2 0
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695 3212 2 H3O4C7 A3B4C7 -214.32 12.12 -8.38 -2.45 0
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696 3213 1 N2H14C17 A2B14C17 63.41 3.56 -8.12 -0.78 0
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697 3215 1 O45C96H152 A45B96C152 -2051.51 5.67 -9.66 -0.71 0
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699 3217 2 O23C48H76 A23B48C76 -2077.15 15.17 -8.96 -0.58 0
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700 3218 1 O4C17H26 A4B17C26 -173.51 1.66 -9.98 -1.99 0
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701 3220 5 OH2C3 AB2C3 -160.48 2.43 -9.36 -1.76 0
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702 3221 1 N3O3C11H17 A3B3C11D17 -80.04 0.65 -8.59 -0.58 0
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703 3222 1 N2O5C20H28 A2B5C20D28 -221.3 4.11 -9.56 0.1 0
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704 3223 1 SN3O7C41H43 AB3C7D41E43 -159.92 6.56 -8.7 -0.83 0
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705 3226 1 ClOH2C3F5 ABC2D3E5 -320.37 0.54 -11.66 -0.6 0
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706 3227 3 NO3C11H19 AB3C11D19 -456.26 5.82 -9.5 0.12 0
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707 3229 1 FO3N4C15H17 AB3C4D15E17 -124.56 11.84 -9.26 -1.16 0
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708 3232 1 O3C20H28 A3B20C28 -146.92 3.08 -9.7 -0.1 0