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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317919 126647648 1 ClN2O2C15H19 AB2C2D15E19 -17.61 6.65 -9.12 -0.49 1
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317920 126647650 1 BrClPN4O9C18H26 ABCD4E9F18G26 -403.1 7.24 0.0 0.0 0
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317922 126647676 1 FNPO4C12H17 ABCD4E12F17 -263.31 3.1 -9.61 -0.22 0
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317923 126647720 1 N2C15H16 A2B15C16 101.8 5.81 -8.84 -0.49 1
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317924 126647732 1 NPC9H17 ABC9D17 17.4 2.78 0.0 0.0 -2
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317926 126647777 1 N2O7H44C76 A2B7C44D76 129.15 3.02 -8.04 -0.93 0
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317927 126647784 1 O2C11H14 A2B11C14 -47.34 0.42 -9.43 0.27 0
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317929 126647791 1 O3N4H16C18 A3B4C16D18 -66.91 10.89 -9.24 -1.1 0
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317930 126647803 1 ON11C28H37 AB11C28D37 114.79 1.26 -8.55 -0.46 0
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317933 126647819 1 NPO4C20H28 ABC4D20E28 -224.34 2.03 -8.6 -0.36 0
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317934 126647822 1 NPO4C15H24 ABC4D15E24 -232.9 3.72 -9.29 0.07 0
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317935 126647830 1 FNPO4C16H25 ABCD4E16F25 -290.38 4.71 -9.31 0.04 0
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317936 126647836 1 FNPO4C15H23 ABCD4E15F23 -280.54 3.37 -9.36 -0.01 0
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317937 126647839 1 BrClFPN3O9C21H25 ABCDE3F9G21H25 -474.94 4.64 -9.96 -1.38 0
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317939 126647842 1 O3N18C57H62 A3B18C57D62 169.66 3.32 -8.76 -0.66 0
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317940 126647846 1 O2N11C27H35 A2B11C27D35 80.65 2.61 -8.76 -0.54 0
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317941 126647924 2 INC3H4 ABC3D4 73.47 2.98 -8.66 -1.32 0
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317942 126647927 1 Br2P2S2I4O5H10C12 A2B2C2D4E5F10G12 -266.12 5.59 -9.32 -2.37 0
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317943 126647928 1 NC20H39 AB20C39 -57.57 1.68 -7.94 1.69 0
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317944 126647929 1 NSO2F3C11H20 ABC2D3E11F20 -268.78 5.25 -10.1 -0.79 0
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317945 126647930 1 ClPN3O9C21H27 ABC3D9E21F27 -437.23 3.74 -9.84 -0.64 0
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317946 126647931 1 NO3H33C44 AB3C33D44 73.35 1.51 -7.94 -0.64 0
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317947 126647947 1 IO2N5C34H42 AB2C5D34E42 16.71 3.81 -9.69 -1.64 0
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317948 126647955 1 NSO5C34H51 ABC5D34E51 -242.85 2.51 -8.04 0.07 0
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317950 126647969 1 NBr2O2C33H53 AB2C2D33E53 -162.23 4.23 -9.26 -0.57 0
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317951 126647971 1 OSN5C27H33 ABC5D27E33 91.91 7.57 -7.18 -0.76 0
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317952 126647975 1 O4C27H40 A4B27C40 -188.61 2.54 -8.13 0.25 0
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317953 126647977 1 O7C31H44 A7B31C44 -319.97 5.67 -8.66 -0.31 0
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317954 126647980 6 OC6H8 AB6C8 -226.07 2.29 -8.13 0.1 0
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317955 126647982 1 NO6C33H51 AB6C33D51 -299.08 3.76 -7.98 -0.03 0
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317956 126647999 1 SO3N8C20H20 AB3C8D20E20 3.16 10.96 -9.38 -1.11 0
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317960 126648005 1 SCl2F3N5O9C62H88 AB2C3D5E9F62G88 -428.26 5.87 -9.19 -1.84 0
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317961 126648006 1 SCl2F3N5O9C62H88 AB2C3D5E9F62G88 -570.31 4.2 -8.85 -1.2 0
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317962 126648007 1 NSO2F3C16H30 ABC2D3E16F30 -291.84 5.29 -10.11 -0.8 0
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317963 126648008 1 NC34H67 AB34C67 -120.47 1.67 -8.43 1.46 0
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317965 126648013 1 NO6C29H57 AB6C29D57 -348.07 2.38 -9.55 1.28 0
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317966 126648014 1 NC22H31 AB22C31 73.07 2.04 -7.98 -0.01 0
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317967 126648019 1 O2C7H10 A2B7C10 -39.52 4.89 -10.35 0.7 0
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317968 126648020 1 NC18H35 AB18C35 -60.18 1.6 -8.07 1.6 0
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317969 126648022 1 O2N3C27H33 A2B3C27D33 -30.6 4.22 -8.74 -0.7 0
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317970 126648049 1 OCl2N2H10C13 AB2C2D10E13 21.8 4.25 -9.18 -0.85 0
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317972 126648096 1 NC15H27 AB15C27 6.12 2.42 -8.02 1.04 0
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317973 126648120 1 OSN5C27H33 ABC5D27E33 89.28 7.16 -7.22 -0.96 0
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317975 126648122 1 N5C21H21 A5B21C21 115.5 5.32 -9.17 -0.48 0
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317976 126648129 1 SN4O4C34H42 AB4C4D34E42 -62.8 3.77 -6.92 -0.84 0
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317977 126648131 1 NO4C33H51 AB4C33D51 -197.13 2.14 -8.13 0.16 0
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317981 126648187 1 NC27H33 AB27C33 159.65 3.93 -8.69 -0.29 0
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317982 126648203 1 N3O3C6H7 A3B3C6D7 -54.78 2.31 -9.23 -1.06 0
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317983 126648205 1 ON7C19H23 AB7C19D23 70.82 3.35 -8.16 -0.76 0
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317984 126648206 1 S6N9H61C117 A6B9C61D117 625.96 2.94 -8.1 -1.45 0
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317985 126648207 1 O6N9H65C125 A6B9C65D125 484.91 2.2 -8.24 -1.63 0
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317986 126648215 1 ClFOSN3H11C12 ABCDE3F11G12 -13.84 4.31 -8.7 -1.17 0
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317987 126648219 1 N2O4C17H18 A2B4C17D18 -116.47 1.97 -8.63 -0.34 0
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317988 126648220 1 SN3O4H11C15 AB3C4D11E15 -69.58 7.03 -9.12 -1.04 0
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317989 126648222 1 N2O5H16C17 A2B5C16D17 -152.25 4.99 -9.17 -0.84 0
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317990 126648224 1 N2O5C19H20 A2B5C19D20 -173.2 5.96 -8.6 -0.84 0
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317991 126648225 1 N3O4C21H23 A3B4C21D23 -121.19 5.16 -8.2 -1.05 0
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317992 126648226 1 SN3O6C14H17 AB3C6D14E17 -190.44 0.63 -8.91 -0.92 0
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317993 126648227 1 BrClPN3O10C19H22 ABCD3E10F19G22 -459.95 7.85 -9.17 -1.25 0
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317994 126648228 1 O3N7C26H33 A3B7C26D33 -49.65 1.51 -8.19 -0.82 0
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317995 126648237 1 BrClPN3O9C21H26 ABCD3E9F21G26 -431.94 4.42 -9.39 -1.17 0
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317996 126648244 1 NO4H17C19 AB4C17D19 -134.76 2.85 -9.31 -1.12 0
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317997 126648248 1 SN4O7C24H30 AB4C7D24E30 -242.42 7.07 -9.11 -0.48 0
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318001 126648268 1 NO7C25H25 AB7C25D25 -248.54 4.47 -9.37 -1.11 0
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318004 126648294 1 SN2F3O5H11C13 AB2C3D5E11F13 -258.85 3.67 -9.59 -2.01 0
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318005 126648306 2 OC6H7 AB6C7 -64.39 2.95 -9.04 0.06 0
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318006 126648326 1 SF3O4C15H15 AB3C4D15E15 -299.12 2.64 -9.85 -1.67 0
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318008 126648330 2 O4C5H10 A4B5C10 -356.17 5.88 -9.87 0.17 0
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318011 126648335 1 O2C13H14 A2B13C14 -62.8 4.47 -9.15 -0.7 0
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318013 126648355 2 OC6H6 AB6C6 -41.96 4.25 -9.25 -0.77 0
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318014 126648358 1 NSF3O4H8C12 ABC3D4E8F12 -252.91 4.27 -9.65 -1.91 0
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318015 126648362 1 NOF3H18C20 ABC3D18E20 -160.3 7.67 -9.84 -1.08 0
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318016 126648363 1 FN2O4C20H23 AB2C4D20E23 -201.88 4.4 -9.51 -1.16 0
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318017 126648364 1 NSF3O4C12H12 ABC3D4E12F12 -291.01 5.04 -10.0 -1.79 0
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318019 126648366 1 ClON4C28H29 ABC4D28E29 38.43 2.54 -8.27 -0.42 0
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318020 126648367 1 ON4C28H28 AB4C28D28 70.76 1.55 -8.29 -0.47 0
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318022 126648371 1 ON2F3H27C28 AB2C3D27E28 -123.57 2.45 -8.8 -1.07 0
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318024 126648375 1 ON3C14H17 AB3C14D17 15.74 5.68 -9.17 0.05 0
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318025 126648376 1 O2C23H42 A2B23C42 -158.48 6.12 -9.95 -0.05 0
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318027 126648424 1 N2O2H12C17 A2B2C12D17 -2.54 10.77 -9.67 -1.48 0
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318028 126648426 1 FN3O4C21H24 AB3C4D21E24 -159.92 0.88 -9.33 -1.18 0
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318029 126648434 1 ClN3O3C8H10 AB3C3D8E10 -145.4 2.63 -9.78 -1.17 0
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318030 126648440 1 N2O4C21H26 A2B4C21D26 -159.94 4.66 -9.09 -1.13 0
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318031 126648462 1 FNO3H20C22 ABC3D20E22 -120.22 5.15 -9.42 -1.24 0
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318032 126648470 1 O3C26H44 A3B26C44 -177.41 6.53 -9.95 -0.13 0
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318033 126648475 1 BrFN2O2H12C14 ABC2D2E12F14 -80.69 5.07 -9.52 -1.17 0
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318034 126648476 1 NO4C13H15 AB4C13D15 -136.65 4.06 -9.7 -0.12 0
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318035 126648503 1 O3N4C21H22 A3B4C21D22 -60.21 4.55 -8.62 -1.03 0
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318036 126648508 1 O3N4C22H22 A3B4C22D22 -51.48 7.98 -9.38 -1.1 0
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318037 126648523 2 NS2O6C16H20 AB2C6D16E20 -386.7 14.14 -8.37 -2.82 1
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318039 126648530 1 N3O4C20H23 A3B4C20D23 -117.61 1.38 -9.46 -1.16 0
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318040 126648532 1 O3C25H46 A3B25C46 -221.85 6.13 -9.95 0.67 0
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318041 126648535 1 N6H68C93 A6B68C93 407.49 2.55 -7.91 -0.52 0
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318042 126648547 1 N3O3C11H13 A3B3C11D13 -86.38 2.43 -9.5 -1.12 0
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318043 126648563 1 N3O4C18H19 A3B4C18D19 -108.12 0.63 -9.23 -1.13 0
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318044 126648572 1 N3O4H19C20 A3B4C19D20 -84.91 2.0 -9.43 -1.16 0
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318047 126648661 1 BrO2N4H13C15 AB2C4D13E15 -2.32 6.49 -9.27 -1.2 0
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318048 126648665 1 FO3N4C21H21 AB3C4D21E21 -117.78 4.54 -8.92 -1.03 0
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318049 126648668 1 FN3O4C21H24 AB3C4D21E24 -162.53 3.18 -9.29 -1.24 0
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318050 126648669 1 N3O3C20H23 A3B3C20D23 -88.53 5.86 -9.37 -1.04 0