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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137612 52234594 1 O2N3C19H27 A2B3C19D27 -65.21 7.82 -8.76 -0.19 0
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137613 52234743 1 N2O4C21H32 A2B4C21D32 -174.85 3.5 -8.72 0.09 0
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137614 52235163 1 SO2N4C14H16 AB2C4D14E16 -0.31 7.67 -9.03 -0.78 0
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137615 52235259 1 NSF2O5C19H21 ABC2D5E19F21 -272.75 3.32 -8.93 -0.24 1
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137616 52235333 1 Cl2O2N3C18H26 A2B2C3D18E26 -92.55 4.45 0.0 0.0 0
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137617 52235547 1 FNSO4C12H16 ABCD4E12F16 -196.15 1.57 -9.01 -0.24 0
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137618 52236011 1 N2S2O4C17H18 A2B2C4D17E18 -55.9 4.07 -8.92 -1.05 0
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137619 52236012 1 NSO4C19H23 ABC4D19E23 -137.15 3.29 -8.92 -0.14 0
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137620 52236221 1 SN2O5C17H20 AB2C5D17E20 -145.44 5.02 -9.02 -0.3 0
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137621 52236274 2 NOC8H12 ABC8D12 -83.78 4.39 -9.16 0.27 0
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137622 52236275 1 N2O3C14H20 A2B3C14D20 -106.36 2.57 -9.43 0.03 0
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137623 52236276 2 NO2C9H13 AB2C9D13 -167.11 3.62 -9.29 0.22 0
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137624 52236369 1 FSN2O4C20H25 ABC2D4E20F25 -190.0 5.64 -9.23 -0.77 0
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137625 52236454 1 SN3O4C16H29 AB3C4D16E29 -165.7 2.7 -9.95 -0.52 0
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137626 52236815 1 SN3O4C20H27 AB3C4D20E27 -119.4 6.9 -9.48 -0.68 0
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137627 52236961 1 ClN3O3C22H24 AB3C3D22E24 -108.48 6.97 -8.96 -0.49 0
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137628 52237060 1 N2S2O3C17H28 A2B2C3D17E28 -147.77 2.96 -9.33 -0.5 0
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137629 52237201 1 SO2N3C18H29 AB2C3D18E29 -85.15 5.99 -9.12 -0.42 0
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137630 52237578 1 BrN2O3C17H17 AB2C3D17E17 -83.05 8.79 -9.02 -0.96 0
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137631 52237584 1 N2O2F3H15C17 A2B2C3D15E17 -203.48 5.43 -9.36 -1.3 0
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137632 52237585 1 O2N3H15C17 A2B3C15D17 -9.04 5.45 -9.36 -1.44 0
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137633 52237586 1 SO2F3N3H16C17 AB2C3D3E16F17 -198.48 2.84 -9.3 -1.25 0
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137634 52237587 1 SN3O4C19H21 AB3C4D19E21 -99.35 3.73 -9.29 -1.18 0
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137635 52237588 1 O3N4C20H20 A3B4C20D20 -61.77 4.01 -9.23 -1.06 0
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137636 52237589 1 F2N3O3C22H23 A2B3C3D22E23 -189.47 2.79 -9.27 -0.75 0
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137637 52237641 1 NO2C15H27 AB2C15D27 -127.14 2.65 -9.27 0.92 0
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137638 52237645 1 N2F3O3C20H21 A2B3C3D20E21 -251.68 4.13 -9.39 -1.36 0
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137639 52237813 1 SO3N5C15H19 AB3C5D15E19 -24.94 7.99 -9.58 -1.83 1
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137640 52238256 1 N3O4C20H24 A3B4C20D24 -97.2 5.39 0.0 0.0 1
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137641 52238257 1 ClN3O3C20H25 AB3C3D20E25 -81.86 4.5 0.0 0.0 0
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137642 52238701 1 NSO3C19H19 ABC3D19E19 -60.2 3.6 -8.87 -0.86 0
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137643 52238755 1 ClN2O2H19C23 AB2C2D19E23 -26.31 7.32 -9.0 -0.33 0
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137644 52239270 1 IOSN2H9C16 ABCD2E9F16 96.21 6.11 -9.54 -1.3 0
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137645 52239803 1 N2O5C22H32 A2B5C22D32 -216.02 5.58 -9.01 -0.35 0
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137646 52239990 1 ON7C22H23 AB7C22D23 95.28 9.67 -9.0 -1.08 0
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137647 52240176 1 O2N3C19H23 A2B3C19D23 -25.07 2.9 -8.53 0.13 0
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137648 52240177 1 O2N3C19H23 A2B3C19D23 -25.44 0.75 -8.72 -0.01 0
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137649 52240178 1 ON3C19H25 AB3C19D25 -0.86 3.79 -8.58 -0.04 0
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137650 52240242 1 N2O2C17H20 A2B2C17D20 -46.46 5.02 -8.76 -0.34 1
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137651 52240590 1 OSN3C18H24 ABC3D18E24 14.45 1.41 0.0 0.0 0
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137652 52241058 1 SO2N6C24H26 AB2C6D24E26 36.32 4.04 -8.38 -0.96 0
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137653 52241072 1 N2O6C23H26 A2B6C23D26 -213.78 4.54 -9.14 -0.98 0
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137654 52241073 1 SO2N6C16H22 AB2C6D16E22 -19.62 3.3 -9.33 -1.09 1
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137655 52241316 1 O2N3C19H30 A2B3C19D30 -80.61 5.29 0.0 0.0 1
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137656 52241998 1 OF3N5C22H31 AB3C5D22E31 -136.7 5.66 0.0 0.0 0
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137657 52242030 1 ClSO2N3H20C22 ABC2D3E20F22 0.18 3.43 -9.13 -0.58 0
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137658 52242142 1 ClN3O3H16C18 AB3C3D16E18 -29.02 4.79 -9.74 -1.36 1
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137659 52242281 1 FN3O3C20H25 AB3C3D20E25 -92.58 0.33 0.0 0.0 0
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137660 52242282 1 FN3O3C20H24 AB3C3D20E24 -106.53 2.69 -9.14 -0.54 1
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137661 52242311 1 ClN3O3C20H25 AB3C3D20E25 -55.43 5.49 0.0 0.0 0
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137662 52242447 1 NSCl2O2C9H11 ABC2D2E9F11 -85.45 4.05 -9.64 -0.51 0
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137663 52242600 1 O2N6C21H24 A2B6C21D24 6.5 5.44 -9.5 -1.14 1
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137664 52242601 1 N3O3C24H34 A3B3C24D34 -117.99 4.3 0.0 0.0 0
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137665 52242602 3 NOC8H11 ABC8D11 -137.54 3.57 -9.14 0.13 0
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137666 52242676 1 O2N3C23H29 A2B3C23D29 -56.85 4.5 -9.14 -0.14 0
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137667 52242780 1 ClSN3O3C19H22 ABC3D3E19F22 -78.75 1.56 -8.57 -1.25 1
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137668 52242781 1 O3N4C22H29 A3B4C22D29 -92.04 1.79 0.0 0.0 0
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137669 52242782 1 O3N4C22H28 A3B4C22D28 -98.53 5.6 -8.48 -0.41 0
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137670 52242820 1 O2N3C23H25 A2B3C23D25 -24.49 4.33 -8.65 -0.52 1
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137671 52242924 1 N3O4C23H32 A3B4C23D32 -129.01 3.93 0.0 0.0 0
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137672 52243344 1 N3O3C13H21 A3B3C13D21 -92.64 4.15 -9.44 -0.06 0
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137673 52243631 1 N3O3H25C26 A3B3C25D26 -63.91 5.11 -8.63 -0.64 0
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137674 52243632 1 N3O3H25C26 A3B3C25D26 -62.58 8.66 -8.64 -0.58 0
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137675 52243633 1 N3O3H25C26 A3B3C25D26 -63.78 9.06 -8.59 -0.68 0
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137676 52243743 1 O2N3C17H21 A2B3C17D21 -5.39 2.55 -9.55 -0.47 0
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137677 52243756 1 SN4O4C16H22 AB4C4D16E22 -96.94 3.9 -9.94 -0.69 0
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137678 52243824 1 ClNOC12H16 ABCD12E16 -34.23 2.32 -8.85 -0.12 0
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137679 52243904 1 F2N2O3C17H26 A2B2C3D17E26 -230.72 2.73 -8.94 -0.15 0
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137680 52243905 1 N3O3C29H33 A3B3C29D33 -91.08 4.79 -8.88 -0.49 0
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137681 52243906 1 N3O3C29H33 A3B3C29D33 -91.26 5.5 -8.94 -0.51 1
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137682 52243907 1 SF2N2O3C19H25 AB2C2D3E19F25 -163.27 6.1 0.0 0.0 0
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137683 52243908 1 SF2N2O3C19H24 AB2C2D3E19F24 -181.42 4.33 -8.91 -0.29 1
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137684 52243909 1 F2N3O4C19H28 A2B3C4D19E28 -248.86 3.34 0.0 0.0 0
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137685 52243981 2 NO2C10H11 AB2C10D11 -60.23 7.08 -8.86 -1.12 0
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137686 52245188 2 N2O2C10H13 A2B2C10D13 -102.74 10.16 -9.22 -0.67 1
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137687 52245325 1 ClON4C18H30 ABC4D18E30 -25.09 5.41 0.0 0.0 0
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137688 52245326 1 ClON4C18H29 ABC4D18E29 -34.72 3.71 -8.55 -0.38 1
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137689 52245327 1 ClON4C18H30 ABC4D18E30 -11.16 4.36 0.0 0.0 0
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137690 52245328 1 ClON4C18H29 ABC4D18E29 -36.57 2.32 -8.76 -0.32 1
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137691 52245329 1 F2N2O3C19H27 A2B2C3D19E27 -183.45 6.93 0.0 0.0 0
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137692 52245330 1 F2N2O3C19H26 A2B2C3D19E26 -211.13 3.58 -8.92 -0.64 0
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137693 52245421 1 ClSN3O3C19H30 ABC3D3E19F30 -136.05 7.19 -8.72 -1.08 1
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137694 52245909 1 ClFON2C15H21 ABCD2E15F21 -84.2 8.3 0.0 0.0 0
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137695 52245910 1 ClFON2C15H20 ABCD2E15F20 -91.87 4.14 -8.94 -0.74 0
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137696 52246198 1 IN2O2C14H19 AB2C2D14E19 -50.55 3.49 -9.12 -1.02 0
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137697 52246349 1 SN3O3C20H29 AB3C3D20E29 -115.52 10.23 -8.66 -0.43 0
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137698 52246554 1 N3O3C20H25 A3B3C20D25 -88.68 8.22 -9.43 -0.9 0
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137699 52246600 1 ON4H18C19 AB4C18D19 55.41 4.08 -8.59 -0.82 0
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137700 52246601 1 ON3C18H27 AB3C18D27 -50.2 2.4 -9.63 0.34 0
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137701 52246602 1 ON3C18H27 AB3C18D27 -49.4 7.14 -9.32 0.42 0
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137702 52246603 2 ON2C10H11 AB2C10D11 10.02 3.79 -8.91 -0.57 0
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137703 52246934 1 FN2O2C17H23 AB2C2D17E23 -133.91 6.72 -9.28 -0.52 0
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137704 52246935 2 NO2C9H13 AB2C9D13 -161.66 8.12 -9.0 -0.16 0
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137705 52247142 1 SN2O5C14H16 AB2C5D14E16 -113.42 8.05 -10.19 -1.39 -1
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137706 52247143 1 BrNSO4C14H19 ABCD4E14F19 -129.77 6.77 0.0 0.0 -1
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137707 52247151 1 BrClN2S2O3H5C10 ABC2D2E3F5G10 39.29 14.78 0.0 0.0 -1
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137708 52247152 1 ClNS2O3H11C13 ABC2D3E11F13 8.58 11.32 0.0 0.0 -1
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137709 52247153 1 ClNS2O3C11H11 ABC2D3E11F11 -50.09 4.96 0.0 0.0 0
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137710 52247154 1 ClNS2O3C11H12 ABC2D3E11F12 -91.03 5.03 -9.64 -1.23 1
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137711 52247682 1 SO3N4C19H27 AB3C4D19E27 -77.12 8.71 0.0 0.0 1