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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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132611 51386006 1 O2N5C20H37 A2B5C20D37 -129.88 6.92 -9.27 0.86 0
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132612 51386586 1 NO4C17H23 AB4C17D23 -137.08 3.81 -9.43 0.15 -1
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132613 51386587 1 SN2O2H15C19 AB2C2D15E19 39.46 4.06 0.0 0.0 0
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132614 51386603 1 O2N5C25H45 A2B5C25D45 -145.04 7.07 -9.25 0.92 1
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132615 51386604 1 O2N5C25H46 A2B5C25D46 -120.94 3.19 0.0 0.0 -1
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132616 51386648 1 N2O6H27C28 A2B6C27D28 -126.86 9.95 0.0 0.0 -1
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132617 51387141 1 NOS2H12C13 ABC2D12E13 53.22 3.54 0.0 0.0 -1
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132618 51387148 1 ClN2S2O3H4C10 AB2C2D3E4F10 62.89 7.52 0.0 0.0 0
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132619 51387814 1 SCl2O2N4H14C20 AB2C2D4E14F20 23.17 4.55 -9.43 -1.17 0
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132620 51387815 1 SO3N4H24C25 AB3C4D24E25 8.35 1.99 -8.66 -1.26 -1
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132621 51387816 1 OSF3H4N4C8 ABC3D4E4F8 -38.18 3.08 0.0 0.0 -1
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132622 51387817 1 OSF3N4H6C9 ABC3D4E6F9 -49.67 3.67 0.0 0.0 0
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132623 51387845 1 O2S2N5C25H39 A2B2C5D25E39 -85.92 4.99 -8.45 -0.62 1
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132624 51387909 1 BrN3O5H19C25 AB3C5D19E25 -83.35 2.89 0.0 0.0 1
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132625 51388169 1 ON5C19H34 AB5C19D34 -40.03 6.81 0.0 0.0 0
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132626 51388170 1 ON5C19H33 AB5C19D33 -48.28 8.29 -9.42 0.67 0
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132627 51388434 1 S3O4N6C17H18 A3B4C6D17E18 -34.69 5.06 -9.21 -1.22 -1
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132628 51388435 1 S3O4N6C17H17 A3B4C6D17E17 10.36 3.68 0.0 0.0 0
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132629 51388855 1 SN4O5C19H30 AB4C5D19E30 -209.36 3.41 -9.23 0.18 0
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132630 51388987 1 FOSN6H23C28 ABCD6E23F28 91.38 3.04 -8.3 -0.74 1
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132631 51389005 1 O3N4C13H15 A3B4C13D15 15.81 4.44 0.0 0.0 -1
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132632 51389029 1 FSN3H13C16 ABC3D13E16 69.97 6.58 0.0 0.0 -1
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132633 51389030 1 FSO2N3H13C16 ABC2D3E13F16 7.27 8.81 0.0 0.0 -1
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132634 51389031 1 FSN3H17C18 ABC3D17E18 64.09 7.67 0.0 0.0 0
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132635 51389481 1 ClSN4O4C14H15 ABC4D4E14F15 -101.68 6.69 -9.41 -0.58 0
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132636 51389612 1 OSN4C11H22 ABC4D11E22 -30.25 5.85 -8.38 0.48 -1
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132637 51389762 1 BrNO3H11C18 ABC3D11E18 26.89 17.22 0.0 0.0 0
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132638 51390014 1 ClO2N3C12H18 AB2C3D12E18 -74.62 6.12 -9.17 0.0 0
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132639 51390015 1 BrOF3N5C18H23 ABC3D5E18F23 -117.19 11.84 -9.38 -0.3 0
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132640 51390363 1 BrON4C13H23 ABC4D13E23 -29.24 1.46 -8.65 -0.33 -1
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132641 51391058 1 SCl2N3O3H16C18 AB2C3D3E16F18 -6.11 5.87 0.0 0.0 0
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132642 51391140 1 SF2N6H22C23 AB2C6D22E23 50.44 7.86 -8.37 -0.97 0
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132643 51391212 1 BrOSN4C18H21 ABCD4E18F21 17.98 4.15 -9.18 -0.87 0
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132644 51391653 1 SF2N6H14C16 AB2C6D14E16 28.02 3.12 -9.04 -1.44 0
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132645 51391807 1 O2F3N4C17H21 A2B3C4D17E21 -167.51 4.97 -8.98 -0.71 0
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132646 51392125 1 F2N7H17C22 A2B7C17D22 96.21 5.32 -8.5 -1.64 0
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132647 51392586 1 Cl3N5H10C16 A3B5C10D16 134.35 10.03 -10.08 -1.39 -1
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132648 51392687 3 FNOC5H5 ABCD5E5 -207.38 4.26 0.0 0.0 0
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132649 51393047 1 N4O4C21H22 A4B4C21D22 -20.6 5.97 -8.51 -1.01 1
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132650 51393163 1 FO2N4H18C22 AB2C4D18E22 69.56 17.09 0.0 0.0 1
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132651 51393164 1 FO2N4H18C22 AB2C4D18E22 70.07 14.84 0.0 0.0 0
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132652 51393291 1 ON4C20H20 AB4C20D20 70.87 8.52 -9.1 -0.84 0
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132653 51393292 1 ON4C20H20 AB4C20D20 70.78 7.87 -9.1 -0.79 -1
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132654 51393686 1 ClFSN2O3H13C19 ABCD2E3F13G19 -48.67 2.01 0.0 0.0 0
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132655 51393725 2 NOC10H11 ABC10D11 -7.0 5.46 -8.93 0.04 1
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132656 51393726 1 N2O3C19H21 A2B3C19D21 -50.82 6.32 0.0 0.0 -1
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132657 51394560 1 NPSCl2O6C19H23 ABCD2E6F19G23 -302.35 9.17 0.0 0.0 1
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132658 51394711 1 NOC11H16 ABC11D16 -33.88 3.35 0.0 0.0 0
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132659 51394719 1 PN2O3C21H27 AB2C3D21E27 -110.27 6.34 -8.35 -0.05 0
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132660 51394771 1 OPN6C23H25 ABC6D23E25 17.43 6.28 -8.62 -0.56 0
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132661 51395061 1 N7H19C25 A7B19C25 230.31 8.98 -9.27 -1.38 0
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132662 51395335 1 SO2N5C24H37 AB2C5D24E37 -62.23 6.42 -8.9 -0.63 0
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132663 51395341 1 ClSO2F3N5C21H27 ABC2D3E5F21G27 -219.58 2.95 -9.19 -0.93 1
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132664 51395532 1 N2C15H19 A2B15C19 69.29 12.53 0.0 0.0 1
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132665 51396113 1 N3O3C20H20 A3B3C20D20 -50.74 7.34 0.0 0.0 0
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132666 51396472 1 SO2N5C27H45 AB2C5D27E45 -100.72 8.33 -8.7 -0.45 0
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132667 51396787 1 N2O5C20H30 A2B5C20D30 -211.15 6.54 -8.4 -0.27 1
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132668 51396788 1 N2O5C20H31 A2B5C20D31 -191.62 7.19 0.0 0.0 -1
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132669 51396897 1 ClOSN2H16C18 ABCD2E16F18 32.96 4.83 0.0 0.0 1
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132670 51397112 1 NO2C19H26 AB2C19D26 -43.75 1.27 0.0 0.0 -1
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132671 51398242 1 O2N5H10C14 A2B5C10D14 77.49 6.51 0.0 0.0 -1
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132672 51398243 1 O5C17H19 A5B17C19 -178.62 4.14 0.0 0.0 -1
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132673 51398467 1 ON2H13C14 AB2C13D14 30.42 6.14 0.0 0.0 -1
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132674 51398971 1 FN2O4H10C17 AB2C4D10E17 -52.94 17.58 0.0 0.0 0
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132675 51399208 1 NO4C23H29 AB4C23D29 -161.27 9.66 -8.77 -0.53 0
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132676 51399290 1 NO4C29H33 AB4C29D33 -131.23 8.86 -8.45 -0.33 0
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132677 51399291 1 NO4C29H33 AB4C29D33 -132.34 7.61 -8.47 -0.28 -1
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132678 51399461 1 SN4O5H17C19 AB4C5D17E19 -32.57 11.43 0.0 0.0 -1
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132679 51399511 1 NO2H6C10 AB2C6D10 14.74 5.27 0.0 0.0 0
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132680 51400402 1 N4O5H20C23 A4B5C20D23 -19.85 2.68 -8.51 -1.37 1
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132681 51400937 1 ClNO4C17H23 ABC4D17E23 -167.07 1.9 0.0 0.0 1
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132682 51401113 1 NO2C10H20 AB2C10D20 -97.06 4.22 0.0 0.0 0
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132683 51401239 1 N3F4C5H7 A3B4C5D7 -168.83 1.41 -9.37 0.26 0
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132684 51401319 1 FOH11C14 ABC11D14 -36.8 3.37 -9.45 -0.92 -1
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132685 51401548 1 FSO2N4H8C11 ABC2D4E8F11 -0.43 1.82 0.0 0.0 -1
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132686 51401549 1 SF2O2N4H7C11 AB2C2D4E7F11 -59.78 4.74 0.0 0.0 -1
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132687 51401550 1 SN4O4C13H13 AB4C4D13E13 -32.41 2.67 0.0 0.0 -1
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132688 51401551 1 SN4O4H9C12 AB4C4D9E12 -36.48 5.79 0.0 0.0 -1
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132689 51401552 1 SN4O4H11C13 AB4C4D11E13 -23.82 2.39 0.0 0.0 0
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132690 51402150 2 ON3C8H13 AB3C8D13 1.45 5.86 -9.05 -0.45 -1
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132691 51402425 1 N3O6H12C17 A3B6C12D17 -33.47 6.84 0.0 0.0 0
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132692 51402426 1 F2N5H19C21 A2B5C19D21 42.62 1.6 -9.17 -1.02 -1
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132693 51402427 1 N2O4H19C21 A2B4C19D21 -55.07 1.09 0.0 0.0 0
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132694 51402428 1 FN3O4H18C21 AB3C4D18E21 -75.79 20.67 -7.99 -1.71 1
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132695 51402429 1 FN3O4H19C21 AB3C4D19E21 -84.08 7.39 0.0 0.0 -1
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132696 51402514 1 ClSO2N4H16C19 ABC2D4E16F19 39.68 4.59 0.0 0.0 1
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132697 51402592 1 O3N5C18H32 A3B5C18D32 -115.95 3.35 0.0 0.0 2
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132698 51402719 1 OSN3C13H17 ABC3D13E17 17.08 4.39 -6.57 -0.21 0
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132699 51402742 1 ClNSO2C22H34 ABCD2E22F34 -143.72 7.02 -8.68 0.29 -1
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132700 51402743 1 O2N3C6H8 A2B3C6D8 29.81 6.85 0.0 0.0 0
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132701 51402744 1 NOSC22H29 ABCD22E29 -19.68 3.93 -9.15 -0.39 0
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132702 51402801 1 O12H20C21 A12B20C21 -449.87 10.04 -9.49 -1.54 0
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132703 51402803 1 O11H20C21 A11B20C21 -421.24 10.1 -9.52 -1.56 -1
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132704 51403377 1 SO2N4H15C20 AB2C4D15E20 93.07 7.97 0.0 0.0 0
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132705 51403853 1 O3N4C14H24 A3B4C14D24 -127.93 2.6 -9.15 -0.19 -1
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132706 51404001 1 SO2N4H15C20 AB2C4D15E20 86.43 6.04 0.0 0.0 -1
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132707 51404308 1 ON4H11C12 AB4C11D12 151.21 5.13 0.0 0.0 0
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132708 51404469 1 NCl2O6C18H21 AB2C6D18E21 -248.38 6.47 -9.08 -0.61 -1
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132709 51404574 1 O2N4H15C16 A2B4C15D16 83.27 6.46 0.0 0.0 0
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132710 51405093 1 SN3O5C17H25 AB3C5D17E25 -170.92 16.33 -8.87 -0.22 1