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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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56630 17487251 1 SN3O5C17H23 AB3C5D17E23 -149.74 5.4 -9.35 -0.74 0
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56631 17487268 1 ClSO2N3H16C17 ABC2D3E16F17 -17.26 4.2 -9.33 -1.24 0
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56632 17487271 1 Cl2O3N4C23H26 A2B3C4D23E26 -97.71 5.13 -9.08 -0.92 0
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56633 17487272 1 NSO4C15H15 ABC4D15E15 -117.31 2.51 -8.79 -1.05 0
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56634 17487273 1 N3O3C20H21 A3B3C20D21 -89.85 7.15 -8.57 -0.55 0
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56635 17487276 1 FSO2N3C18H20 ABC2D3E18F20 -83.36 1.97 -8.89 -0.78 0
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56636 17487277 1 SN3O4C19H21 AB3C4D19E21 -123.48 7.78 -8.57 -0.8 0
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56637 17487280 1 SN2O3H18C19 AB2C3D18E19 -82.79 4.71 -8.74 -0.75 0
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56638 17487283 1 N3O4C21H23 A3B4C21D23 -130.66 5.92 -8.74 -0.49 0
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56639 17487284 1 ClNO3H18C19 ABC3D18E19 -90.51 11.6 -9.26 -1.06 0
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56640 17487286 1 SN2O4C15H20 AB2C4D15E20 -151.04 4.9 -7.99 -0.65 0
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56641 17487288 1 N3O4C20H23 A3B4C20D23 -102.17 4.51 -8.42 -0.16 0
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56642 17487299 1 FSN3O4C17H20 ABC3D4E17F20 -180.28 1.72 -9.58 -0.87 0
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56643 17487300 1 ClSN2O2C12H13 ABC2D2E12F13 -76.07 5.26 -9.26 -0.47 0
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56644 17487301 1 SN2O2C13H16 AB2C2D13E16 -75.54 4.05 -8.72 -0.38 0
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56645 17487303 1 ClN2O4C19H21 AB2C4D19E21 -144.98 3.65 -8.99 -0.31 0
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56646 17504458 2 OSN2C10H15 ABC2D10E15 -40.65 6.15 -8.4 -0.58 0
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56647 17504460 2 OSN2C11H13 ABC2D11E13 -0.6 6.31 -8.57 -0.81 0
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56648 17504672 1 SN3O4H13C16 AB3C4D13E16 -16.65 5.29 -9.5 -1.57 0
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56649 17504674 1 ION3H16C18 ABC3D16E18 68.64 1.14 -9.64 -1.12 0
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56650 17504720 1 SF3O5H15C16 AB3C5D15E16 -324.84 5.91 -9.54 -1.13 0
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56651 17504721 1 NSF3O4C18H18 ABC3D4E18F18 -277.36 6.47 -9.79 -1.47 0
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56652 17504722 1 SF3O4H15C17 AB3C4D15E17 -283.92 8.09 -9.8 -1.51 0
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56653 17504728 1 ClSO3N4C23H27 ABC3D4E23F27 -77.27 5.01 -9.13 -1.1 0
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56654 17504729 1 SO2N5C22H29 AB2C5D22E29 -24.12 4.86 -9.09 -0.64 0
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56655 17504730 1 SO3N4C22H32 AB3C4D22E32 -99.77 6.52 -8.92 -0.58 0
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56656 17504731 1 ClN2O3C23H27 AB2C3D23E27 -105.72 3.09 -8.66 -0.74 0
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56657 17504732 1 FSN3O3C24H24 ABC3D3E24F24 -88.29 4.66 -8.97 -1.03 0
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56658 17505071 1 SO2F3N3H16C18 AB2C3D3E16F18 -143.21 6.04 -9.6 -1.05 0
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56659 17505072 2 NSO2C10H10 ABC2D10E10 -91.8 5.51 -9.21 -1.39 0
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56660 17505316 1 FSN2O2H15C17 ABC2D2E15F17 -53.26 4.44 -8.83 -0.84 0
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56661 17505318 1 N2O3C23H24 A2B3C23D24 -52.24 6.4 -8.46 -0.1 0
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56662 17505319 1 FOS2N3H14C17 ABC2D3E14F17 -2.03 2.89 -8.61 -1.02 0
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56663 17505355 1 SN3O4H21C23 AB3C4D21E23 -74.05 4.85 -8.84 -1.37 0
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56664 17505357 1 SN2O4C23H30 AB2C4D23E30 -147.45 1.24 -9.44 -0.32 0
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56665 17505748 1 FSCl2O2N3H16C20 ABC2D2E3F16G20 -70.82 2.21 -9.3 -1.43 0
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56666 17505752 1 SN2O3H16C20 AB2C3D16E20 -13.3 3.04 -9.07 -1.2 0
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56667 17505753 1 S2F3N3O4C14H14 A2B3C3D4E14F14 -272.28 6.86 -9.39 -1.0 0
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56668 17505754 1 ClN3O3H16C18 AB3C3D16E18 8.58 3.55 -8.49 -2.1 0
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56669 17510129 1 F2N3O3C25H29 A2B3C3D25E29 -207.53 3.67 -8.74 -0.8 0
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56670 17510352 1 SN3O3C20H21 AB3C3D20E21 -61.39 5.72 -9.21 -0.69 0
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56671 17511203 1 O3N4C22H28 A3B4C22D28 -14.89 8.96 -8.61 -1.26 0
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56672 21317840 1 O2C13H18 A2B13C18 -99.95 3.26 -8.9 0.36 0
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56673 21317842 1 NO3C18H29 AB3C18D29 -132.23 1.67 -8.55 0.57 0
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56674 21317854 1 NOC16H25 ABC16D25 -45.47 2.92 -8.86 0.23 0
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56675 21317858 1 ClNOH4C8 ABCD4E8 29.35 2.16 -10.46 -1.6 0
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56676 21317890 1 O4C9H16 A4B9C16 -169.27 2.66 -10.02 0.76 0
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56677 21317891 1 O5C12H22 A5B12C22 -262.76 3.54 -10.27 0.45 0
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56678 21317892 1 O3C16H28 A3B16C28 -183.23 2.16 -9.93 1.6 0
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56679 21317893 2 OC13H23 AB13C23 -157.37 1.99 -8.25 0.22 0
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56680 21317894 1 NPSO4C8H10 ABCD4E8F10 -183.26 4.47 -9.27 -0.94 0
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56681 21317895 1 NPSO4C10H14 ABCD4E10F14 -192.0 3.95 -9.23 -0.88 0
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56682 21317896 1 NOSC8H9 ABCD8E9 -3.58 7.32 -9.18 -0.92 0
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56683 21317898 1 NPSO4C10H14 ABCD4E10F14 -199.23 8.18 -9.16 -0.82 0
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56684 21317899 1 NPO4S4C9H12 ABC4D4E9F12 -154.02 2.95 -8.86 -1.63 0
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56685 21317901 1 SO3C6H10 AB3C6D10 -120.57 5.66 -9.04 -0.7 0
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56686 21317902 1 ClNO3C9H18 ABC3D9E18 -174.9 5.24 -10.38 0.74 0
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56687 21317903 1 NO3C9H17 AB3C9D17 -140.51 4.32 -10.3 0.4 0
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56688 21317904 1 NPSO5C11H16 ABCD5E11F16 -232.52 4.36 -9.04 -0.72 0
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56689 22387977 1 ClN3O3H20C23 AB3C3D20E23 -25.7 2.86 -9.05 -1.06 0
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56690 22387978 1 SCl2N3O3H19C24 AB2C3D3E19F24 -22.52 6.09 -8.94 -0.97 0
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56691 22387979 2 NOC5H5 ABC5D5 -30.57 4.54 -8.87 -0.84 0
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56692 22387980 1 SO2H20C24 AB2C20D24 -13.44 3.33 -8.79 -0.79 0
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56693 22387984 1 BrCl2S2O3N4H15C20 AB2C2D3E4F15G20 -27.47 4.8 -9.6 -1.28 0
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56694 22387985 1 ClNSO4H22C29 ABCD4E22F29 -63.99 6.03 -9.2 -0.69 1
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56695 22387988 1 ClSN3O3C27H27 ABC3D3E27F27 -8.94 8.15 0.0 0.0 0
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56696 22387990 1 ClS2O3N4H25C29 AB2C3D4E25F29 -13.17 4.01 -8.93 -1.07 0
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56697 22387991 1 FCl2O2N3H12C16 AB2C2D3E12F16 -66.45 1.9 -9.68 -1.04 0
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56698 22387998 1 SCl2O2H12C17 AB2C2D12E17 -50.22 3.86 -9.13 -0.98 0
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56699 22388006 1 ClSO3N4C27H29 ABC3D4E27F29 -65.91 4.01 -9.51 -1.07 0
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56700 22388021 1 BrClN3H15C20 ABC3D15E20 83.0 3.29 -9.25 -0.73 0
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56701 22388041 1 SCl2O2N3H11C14 AB2C2D3E11F14 2.97 7.1 -9.54 -1.28 0
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56702 22388050 1 ClN4O4H15C17 AB4C4D15E17 -26.14 5.79 -9.73 -1.76 0
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56703 22388052 1 ClOSC10H11 ABCD10E11 -36.79 3.35 -9.3 -0.77 0
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56704 22388182 1 N4O7C14H16 A4B7C14D16 -82.78 6.66 -9.0 -1.68 0