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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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312711 126607547 4 NOC5H6 ABC5D6 -4.29 6.16 -8.84 -0.68 0
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312712 126607555 1 ClOF2N6H17C23 ABC2D6E17F23 21.61 5.9 -8.63 -0.82 0
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312713 126607556 1 FO3N4C17H17 AB3C4D17E17 -89.4 2.06 -8.6 -0.27 0
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312714 126607559 1 F3N7C26H30 A3B7C26D30 -42.69 3.98 -8.34 -0.74 0
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312715 126607566 1 FN5C27H30 AB5C27D30 105.3 2.82 -8.27 -0.28 1
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312716 126607572 1 ON2H29C33 AB2C29D33 87.82 3.92 0.0 0.0 0
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312717 126607573 1 FO2N7H26C27 AB2C7D26E27 34.19 3.25 -8.51 -0.78 1
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312718 126607574 3 NC12H12 AB12C12 111.55 5.11 0.0 0.0 0
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312719 126607575 1 ClFN7H17C20 ABC7D17E20 137.25 4.98 -8.23 -0.8 0
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312720 126607579 1 NO2H13C16 AB2C13D16 -27.7 4.47 -8.57 -0.91 0
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312721 126607583 1 FO2N6C23H25 AB2C6D23E25 -11.57 3.73 -8.28 -0.22 0
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312722 126607585 1 NSO3C24H25 ABC3D24E25 -53.24 5.64 -8.19 -1.1 0
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312723 126607591 1 OF4N10C30H32 AB4C10D30E32 -57.49 7.5 -9.02 -0.94 0
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312724 126607592 1 NO3H21C25 AB3C21D25 -23.15 3.01 -8.58 -0.89 0
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312725 126607593 1 NO2C21H23 AB2C21D23 -50.66 1.47 -8.3 -0.76 0
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312726 126607594 1 F2O2N6H16C23 A2B2C6D16E23 -0.47 6.96 -8.68 -0.99 0
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312727 126607595 1 NO4C31H41 AB4C31D41 -178.37 3.21 -8.61 -0.68 0
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312728 126607596 1 OF4N8H16C22 AB4C8D16E22 -51.94 9.6 -8.86 -1.99 0
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312729 126607598 1 NOC9H11 ABC9D11 26.15 2.0 -8.54 0.17 0
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312730 126607599 1 NO4H17C20 AB4C17D20 -89.16 4.07 -8.57 -0.85 0
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312731 126607601 1 FON8C24H27 ABC8D24E27 48.55 9.52 -8.93 -1.12 0
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312732 126607605 1 FO2N6H19C23 AB2C6D19E23 51.7 8.12 -8.87 -1.04 0
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312733 126607606 1 INC6H8 ABC6D8 59.59 2.14 -9.09 -0.61 0
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312734 126607610 1 N7C25H29 A7B25C29 170.77 6.8 -8.38 -0.99 0
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312735 126607614 1 NO2C25H31 AB2C25D31 -72.81 2.23 -8.52 -0.63 0
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312736 126607620 1 NO2C20H21 AB2C20D21 -59.45 3.52 -8.48 -0.7 0
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312737 126607657 1 FO3N4C18H19 AB3C4D18E19 -80.11 4.38 -8.35 -0.43 0
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312738 126607668 1 FON9C25H26 ABC9D25E26 130.01 4.49 -8.34 -0.69 0
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312739 126607683 1 FON9C24H24 ABC9D24E24 95.73 7.64 -8.85 -1.12 0
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312740 126607684 1 O3N4C18H22 A3B4C18D22 -75.49 2.97 -8.39 0.02 0
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312741 126607686 1 IO5C28H41 AB5C28D41 -235.7 3.55 -8.05 -0.43 0
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312742 126607691 1 OC16H28 AB16C28 -71.54 3.18 -9.28 0.77 0
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312743 126607692 1 FN9C26H28 AB9C26D28 130.63 4.16 -8.46 -0.87 0
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312744 126607696 1 ClSN5C29H32 ABC5D29E32 190.94 7.3 -7.8 -0.68 0
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312745 126607700 1 ClOSN3H10C11 ABCD3E10F11 44.43 7.02 -8.99 -0.92 0
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312746 126607707 1 NO2C20H21 AB2C20D21 -50.0 3.44 -8.52 -0.66 0
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312747 126607742 1 NOSC23H27 ABCD23E27 -3.91 3.99 -8.06 -1.01 0
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312748 126607805 1 NO4C33H45 AB4C33D45 -185.1 3.29 -8.22 -0.85 0
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312749 126607808 1 O7C19H28 A7B19C28 -232.09 2.79 -8.25 -0.11 0
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312750 126607809 1 SO2H14C21 AB2C14D21 1.12 2.29 -8.68 -0.86 0
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312751 126607816 1 IOH25C37 ABC25D37 229.97 2.69 -8.76 -1.25 0
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312752 126607818 1 NPO6C29H44 ABC6D29E44 -328.14 4.92 -8.81 0.19 0
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312753 126607837 1 O5C18H22 A5B18C22 -160.16 3.56 -8.65 0.22 0
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312754 126607843 1 Cl2O4C29H34 A2B4C29D34 -166.4 3.54 -8.65 -0.54 0
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312755 126607917 1 ClO4C29H35 AB4C29D35 -160.49 5.06 -8.71 -0.13 0
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312756 126608221 1 SO2N4C19H20 AB2C4D19E20 26.58 5.37 -8.46 -0.89 0
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312757 126608263 1 SO3N5H11C16 AB3C5D11E16 -29.89 2.16 -8.64 -1.24 0
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312758 126608319 1 N5O9C52H55 A5B9C52D55 -239.78 4.78 -8.83 -1.08 0
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312759 126608367 1 SCl2C16H36 AB2C16D36 -143.46 1.58 -8.52 0.81 0
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312760 126608374 1 O3H22C25 A3B22C25 -65.22 2.74 -8.83 -0.9 0
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312761 126608379 1 ON6H18C22 AB6C18D22 115.25 4.43 -8.68 -0.84 0
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312762 126608380 1 ON7H15C19 AB7C15D19 104.72 4.12 -8.68 -0.85 0
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312763 126608382 1 F3C26H33 A3B26C33 -165.32 3.6 -8.98 -0.83 0
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312764 126608386 1 FON6H17C22 ABC6D17E22 71.35 3.23 -8.72 -1.01 0
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312765 126608403 1 N3H5C6 A3B5C6 167.86 3.98 -9.06 -1.18 0
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312766 126608409 2 NOC19H20 ABC19D20 73.37 2.92 -8.66 -0.26 0
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312767 126608419 1 BrNSO4H14C17 ABCD4E14F17 -93.53 6.76 -9.12 -0.96 0
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312768 126608438 1 O3N5C23H39 A3B5C23D39 -114.63 5.43 -8.86 0.05 0
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312769 126608446 1 P2N4O5C15H34 A2B4C5D15E34 -314.21 5.53 -8.23 1.17 0
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312770 126608449 1 ON8C17H38 AB8C17D38 -23.51 2.21 -8.69 0.7 0
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312771 126608472 1 S3H52C79 A3B52C79 378.76 2.57 -8.13 -0.72 0
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312772 126608478 3 SH24C35 AB24C35 481.95 1.05 -8.24 -0.64 0
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312773 126608500 1 N3O4C15H21 A3B4C15D21 -152.43 2.13 -9.2 -0.34 0
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312774 126608504 1 ON3C14H17 AB3C14D17 57.06 4.47 -9.49 0.04 0
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312775 126608520 1 NSO2C18H27 ABC2D18E27 -82.78 5.77 -9.13 -0.86 0
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312776 126608591 2 FNH3C4 ABC3D4 -38.63 4.17 -9.09 -0.66 0
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312777 126608595 1 ClOC12H15 ABC12D15 -30.0 1.72 -9.58 -0.32 0
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312778 126608601 1 BrN2O3C10H13 AB2C3D10E13 -51.02 6.29 -8.89 -0.85 0
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312779 126608606 1 ClO2N4C13H17 AB2C4D13E17 -6.29 3.68 -8.89 -1.13 0
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312780 126608615 1 N5O11C22H31 A5B11C22D31 -395.95 9.45 -9.34 -0.87 0
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312781 126608620 1 PN4O7C17H21 AB4C7D17E21 -261.95 4.21 -9.49 -1.46 0
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312782 126608622 1 I2C31H50 A2B31C50 -39.24 4.76 -9.43 -0.55 0
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312783 126608624 1 PN3C16H20 AB3C16D20 76.91 5.66 -8.52 -0.17 0
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312784 126608640 1 IO2C21H37 AB2C21D37 -158.56 2.95 -9.53 -0.64 0
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312785 126608646 2 O2C19H33 A2B19C33 -268.35 7.86 -8.96 0.37 0
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312786 126608647 1 FOSC8H17 ABCD8E17 -127.79 1.4 -8.91 0.58 0
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312789 126608650 1 P7S13O17C69H145 A7B13C17D69E145 -1587.49 15.78 -8.94 -0.61 0
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312790 126608651 1 IF2O2C14H21 AB2C2D14E21 -215.48 5.33 -9.43 -0.5 0
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312791 126608664 1 O2N3C18H25 A2B3C18D25 -24.81 12.17 -7.64 -1.14 0
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312792 126608674 3 N2F3H5C10 A2B3C5D10 -291.07 10.02 -9.77 -2.31 0
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312793 126608675 2 ClF3N3H12C22 AB3C3D12E22 -76.3 0.85 -9.85 -1.73 0
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312794 126608678 2 N3F7H11C23 A3B7C11D23 -429.8 5.71 -9.54 -2.0 0
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312795 126608686 1 N3C4H11 A3B4C11 27.79 2.05 -8.72 1.1 0
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312796 126608695 1 N2O6C15H26 A2B6C15D26 -309.51 7.75 -10.43 0.04 0
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312797 126608759 1 NS2O11H35C38 AB2C11D35E38 -392.21 11.18 -9.04 -1.14 0
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312801 126608810 1 N2O2C13H20 A2B2C13D20 -92.25 3.51 -7.99 -0.02 0
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312802 126608812 1 NOF2C12H15 ABC2D12E15 -152.88 1.82 -8.89 -0.51 0
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312803 126608813 1 NOC15H23 ABC15D23 -71.95 4.62 -8.31 0.12 0
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312804 126608826 1 SO3N5C19H25 AB3C5D19E25 -86.14 8.73 -8.38 -0.56 0
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312805 126608837 1 SN3O3H21C22 AB3C3D21E22 -37.09 10.2 -9.04 -0.77 0
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312806 126608842 1 SO3N4C21H26 AB3C4D21E26 -71.36 7.27 -8.44 -0.2 0
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312807 126608843 1 BrNSO3C10H12 ABCD3E10F12 -92.9 8.52 -9.55 -0.69 0
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312808 126608845 1 SN2O4C20H20 AB2C4D20E20 -104.73 7.19 -8.92 -0.74 0
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312809 126608854 1 FO2N3H22C23 AB2C3D22E23 -46.47 4.99 -8.42 -0.43 0
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312810 126608863 1 N2O3C16H16 A2B3C16D16 -29.05 5.05 -8.53 -0.74 0
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312811 126608865 1 NO6C18H19 AB6C18D19 -143.9 7.9 -8.76 -0.71 0
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312812 126608868 2 O2C9H9 A2B9C9 -117.3 3.27 -9.12 -0.83 0
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312813 126608870 1 SF3O6C14H15 AB3C6D14E15 -370.73 5.31 -9.18 -1.75 0
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312814 126608871 1 O5C20H22 A5B20C22 -161.01 4.26 -8.66 -0.64 0
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312815 126608876 1 O3H14C16 A3B14C16 -69.25 1.9 -9.25 -0.59 0