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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12041 127300 1 O15C19H34 A15B19C34 -692.84 4.33 -10.4 0.36 0
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12042 127471 1 BrN2O6C11H11 AB2C6D11E11 -119.09 4.59 -10.28 -2.02 0
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12043 127767 1 NO9C14H25 AB9C14D25 -390.89 3.21 -9.57 0.33 0
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12044 127768 1 N4O13C49H60 A4B13C49D60 -436.97 5.55 -8.71 -1.68 0
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12045 127777 1 P3N6C10O14H17 A3B6C10D14E17 -738.26 13.58 -9.39 -0.84 0
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12046 127780 1 NO10C35H49 AB10C35D49 -425.28 4.84 -8.87 -0.37 0
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12047 127781 1 S3N6O7C24H24 A3B6C7D24E24 -126.51 7.18 -8.59 -1.4 0
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12048 127782 1 S3N6O7C24H25 A3B6C7D24E25 -140.11 12.14 0.0 0.0 1
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12049 127784 3 NO2C9H15 AB2C9D15 -293.45 5.62 -9.59 -0.52 0
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12050 128365 1 NNaSH4O5C8 ABCD4E5F8 -195.16 8.06 -9.62 -1.4 0
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12051 128375 1 N4O6C21H22 A4B6C21D22 -112.14 8.84 -9.49 -1.21 0
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12052 128402 2 N2O5C18H23 A2B5C18D23 -346.45 5.63 -8.79 -1.66 0
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12053 128403 1 N2O2H16C17 A2B2C16D17 -3.75 4.79 -9.53 -0.79 0
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12054 128404 1 ClN4O4C14H21 AB4C4D14E21 -201.67 0.65 -9.73 -0.07 0
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12055 128405 2 N2O2C7H10 A2B2C7D10 -158.93 3.37 -9.37 0.36 0
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12056 128407 2 NO3C6H11 AB3C6D11 -222.97 3.85 -10.14 -0.57 0
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12057 128408 1 NO6C33H49 AB6C33D49 -317.3 4.42 -9.26 -0.22 0
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12058 128409 1 NO6C33H49 AB6C33D49 -315.73 7.55 -9.24 -0.24 0
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12059 128410 1 FN3O3H22C23 AB3C3D22E23 -85.48 11.89 -9.05 -1.05 0
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12060 128411 4 OC7H10 AB7C10 -170.42 2.03 -8.65 -0.08 0
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12061 128412 1 NO3C18H19 AB3C18D19 -80.28 4.07 -9.42 -0.16 0
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12062 128413 1 ClOSN4H11C15 ABCD4E11F15 76.99 6.36 -8.84 -1.16 0
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12063 128434 1 NO2H13C14 AB2C13D14 -35.3 2.89 -8.8 -0.69 0
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12064 128648 1 N7O12C31H35 A7B12C31D35 -465.58 14.91 -8.76 -1.19 0
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12065 128686 1 O7N10C17H28 A7B10C17D28 -256.81 8.49 -9.26 -0.84 0
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12066 128733 2 O2C11H15 A2B11C15 -164.89 3.5 -8.96 -0.35 0
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12067 128737 1 F3N5C19H20 A3B5C19D20 -43.43 4.11 -8.56 -0.58 0
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12068 128778 1 FO5N8C19H19 AB5C8D19E19 -173.58 9.04 -9.14 -1.31 0
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12069 128783 2 NOC15H23 ABC15D23 14.97 13.52 -3.36 0.0 2
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12070 129639 4 OC3H4 AB3C4 -168.05 4.95 -10.05 -0.63 0
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12071 129644 1 N3O8C9H11 A3B8C9D11 -248.86 7.2 -10.93 -1.8 0
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12072 129662 1 NO2C5H9 AB2C5D9 -76.35 7.56 -10.0 -0.1 0
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12073 129702 1 ClO4N8C14H15 AB4C8D14E15 -14.59 6.82 -9.06 -0.98 0
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12074 129704 1 SN2O3H10C13 AB2C3D10E13 -56.06 6.35 -9.29 -1.44 0
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12075 129759 1 SeO3C5H8 AB3C5D8 -113.08 2.26 -8.59 -1.3 0
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12076 129760 1 Cl2S2F3N6O12C23H32 A2B2C3D6E12F23G32 -695.51 9.57 0.0 0.0 0
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12077 129768 1 N4O7C17H18 A4B7C17D18 -190.95 2.4 -9.08 -1.24 0
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12078 129777 1 O8N10C39H58 A8B10C39D58 -250.34 11.45 -8.16 -0.7 0
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12079 129778 1 N8O11C36H44 A8B11C36D44 -350.32 14.37 -9.06 -0.81 0
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12080 129779 2 FN2H5C6 AB2C5D6 2.69 6.0 -8.67 -0.92 0
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12081 129780 1 NSnO4C14H17 ABC4D14E17 -95.87 0.66 -9.82 -0.67 0
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12082 129790 1 NO3H11C14 AB3C11D14 -54.84 0.86 -8.8 -1.35 0
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12083 129792 1 ON2C27H32 AB2C27D32 23.69 9.66 -8.26 -1.34 0
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12084 129850 1 SO4C21H30 AB4C21D30 -211.78 10.18 -9.05 -0.94 0
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12085 129870 1 NO2C11H15 AB2C11D15 -59.19 1.66 -8.68 -0.05 0
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12086 129871 1 N13O21C53H87 A13B21C53D87 -941.45 5.41 -9.18 -1.31 0
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12087 129884 1 N3C33H44 A3B33C44 63.56 2.37 0.0 0.0 1
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12088 129916 1 FNO4C9H10 ABC4D9E10 -199.29 2.08 -9.18 -0.54 0
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12089 129923 1 NO3C9H9 AB3C9D9 -13.1 5.3 -10.57 -1.43 0
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12090 129961 1 OSN3C25H34 ABC3D25E34 23.92 1.08 0.0 0.0 1
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12091 129974 1 O8H10C13 A8B10C13 -231.08 3.37 -8.92 -2.11 0
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12092 129975 1 N2O3H6C11 A2B3C6D11 -40.1 4.58 -9.02 -1.92 0
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12093 129978 1 O2N3C9H9 A2B3C9D9 -33.06 8.26 -9.73 -0.93 0
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12094 129996 1 O3C15H26 A3B15C26 -79.93 1.54 -9.5 0.17 0
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12095 130000 2 O2H7C8 A2B7C8 -121.41 6.19 -8.84 -1.23 0
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12096 130146 1 SN2O3C24H28 AB2C3D24E28 -59.55 4.81 -7.89 -0.54 0
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12097 130186 1 IOF2N5C27H28 ABC2D5E27F28 29.92 3.23 -8.97 -1.03 0
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12098 130187 1 N5O10C24H27 A5B10C24D27 -302.15 4.19 -8.86 -1.42 0
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12099 130191 1 OC21H30 AB21C30 -25.59 1.79 -8.98 1.4 0
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12100 130193 1 SN10O11C53H68 AB10C11D53E68 -393.09 9.05 -8.45 -0.56 0
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12101 130219 1 PN4O9C17H23 AB4C9D17E23 -378.51 7.0 -9.04 -1.68 0
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12102 130223 1 CuN4O4C8H18 AB4C4D8E18 -146.93 4.11 0.0 0.0 0
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12103 130224 2 NOC2H5 ABC2D5 -78.47 4.12 -9.47 0.56 0
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12104 130225 1 ZnN4O4C8H18 AB4C4D8E18 -160.97 1.4 -8.86 -0.62 0
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12105 130227 1 NO3C24H33 AB3C24D33 -164.51 8.0 -9.66 -0.48 0
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12106 130228 1 FIO2N3C26H29 ABC2D3E26F29 -44.59 5.05 -8.82 -1.02 0
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12108 130354 1 IN4O4C46H71 AB4C4D46E71 -135.43 12.48 -8.4 -3.26 0
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12109 130380 1 OCl2N2C16H22 AB2C2D16E22 -52.12 2.03 -8.7 -0.79 0
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12110 130387 1 BSN2O3C4H5 ABC2D3E4F5 -168.63 5.45 -9.93 -1.34 0
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12111 130389 1 O4N9C20H23 A4B9C20D23 -82.16 9.5 -8.84 -1.21 0
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12112 130448 1 SO2N3C9H11 AB2C3D9E11 -44.04 4.19 -8.83 -0.75 0
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12113 130449 1 SO2N3C12H15 AB2C3D12E15 -48.7 5.01 -8.48 -0.63 0
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12114 130461 2 NO2C4H7 AB2C4D7 -149.35 2.47 -10.18 -0.12 0
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12115 130489 1 O2N3C14H19 A2B3C14D19 -82.4 5.44 -9.45 0.04 0
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12116 130503 1 O6H20C21 A6B20C21 -184.18 10.19 -8.98 -1.29 0
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12117 130564 1 MgS2N6O6C34H36 AB2C6D6E34F36 -127.74 10.83 -7.98 -1.08 0
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12118 130589 1 NaSO19C27H29 ABC19D27E29 -792.02 5.65 -8.6 -0.96 0
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12119 130600 1 NOC6H11 ABC6D11 -13.29 3.42 -10.21 1.56 0
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12120 130685 1 O5C20H28 A5B20C28 -229.63 9.36 -9.57 -0.34 0
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12121 130686 1 NO2H25C26 AB2C25D26 18.7 1.28 -8.4 0.01 0
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12122 130965 2 NOSC15H23 ABCD15E23 -109.45 4.53 -8.46 -0.56 0
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12123 130996 1 SN5O5C24H29 AB5C5D24E29 -74.76 11.69 -8.83 -1.73 0
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12124 131001 1 NO2C15H23 AB2C15D23 -87.06 3.52 -8.79 0.23 0
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12125 131021 1 O8C21H28 A8B21C28 -340.45 5.76 -10.32 -0.53 0
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12126 131034 1 NO4C24H48 AB4C24D48 -234.92 2.15 0.0 0.0 1
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12127 131052 1 O20C33H40 A20B33C40 -811.55 4.14 -9.51 -1.56 0
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12128 131066 1 N2O4C5H10 A2B4C5D10 -174.03 6.7 -10.03 -0.14 0
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12129 131103 1 N2O3C19H38 A2B3C19D38 -184.58 5.61 -9.04 0.7 0
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12130 131106 1 ClSF3N4O7C36H38 ABC3D4E7F36G38 -378.36 8.82 -9.7 -1.53 0
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12131 131116 1 ClNS2O5C23H26 ABC2D5E23F26 -146.7 9.2 -8.81 -1.74 0
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12132 131184 1 NCl2O2C18H19 AB2C2D18E19 -79.5 4.55 -9.38 -0.37 0
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12133 131187 1 BrPC29H38 ABC29D38 -34.13 13.93 -7.42 -1.64 0
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12134 131198 4 O5C12H19 A5B12C19 -955.24 6.58 -9.49 0.33 0
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12136 131207 1 O7C28H32 A7B28C32 -268.08 6.46 -9.86 -1.07 0
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12137 131214 1 ClON2C15H19 ABC2D15E19 28.55 2.72 -8.25 -0.12 0
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12138 131241 2 ON3C21H24 AB3C21D24 100.87 3.16 -6.75 -0.6 0
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12139 131278 1 SO4C10H16 AB4C10D16 -180.14 6.73 -10.07 0.17 0
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12140 131279 1 OF2N3H13C16 AB2C3D13E16 -36.32 4.71 -9.89 -0.74 0
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12141 131280 1 FOCl2N3H12C16 ABC2D3E12F16 -5.3 3.24 -9.84 -0.86 0
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12142 131281 1 O9C22H22 A9B22C22 -338.64 5.04 -10.09 -0.9 0