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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14084 403785 1 SN3O5C16H21 AB3C5D16E21 -213.54 2.58 -9.62 -1.06 0
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14085 403790 1 S2N4O11C23H34 A2B4C11D23E34 -476.96 4.97 -8.92 -0.83 0
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14086 403864 1 N2O3H16C22 A2B3C16D22 7.2 3.53 -8.64 -1.52 0
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14087 403871 1 NCl2O4H17C25 AB2C4D17E25 -99.15 2.97 -8.79 -1.39 0
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14088 403873 1 NO4H21C26 AB4C21D26 -91.05 1.65 -8.56 -1.2 0
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14089 403919 3 C5H8 A5B8 -10.53 1.58 -8.99 1.42 0
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14090 403921 1 BrNSO5H12C16 ABCD5E12F16 -118.72 4.24 -8.69 -1.68 0
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14091 403963 4 NOC4H4 ABC4D4 -86.68 5.03 -9.1 -1.35 0
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14092 403965 1 BrN3O7C32H38 AB3C7D32E38 -242.22 5.92 -8.28 -0.11 0
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14093 403966 1 BrN3O6C29H40 AB3C6D29E40 -198.99 5.44 -8.61 -0.23 0
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14094 403967 1 NO4S5H13C18 AB4C5D13E18 -54.68 3.64 -8.68 -1.75 0
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14095 403986 1 ON2S3H18C25 AB2C3D18E25 93.7 9.97 -8.2 -1.11 0
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14096 404164 2 O9C27H41 A9B27C41 -831.54 5.3 -9.65 -0.68 0
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14097 404166 1 O17C54H82 A17B54C82 -775.8 5.24 -9.34 -0.44 0
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14098 404178 2 O3H7C9 A3B7C9 -194.56 4.09 -8.98 -1.12 0
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14099 404204 1 NSO3H13C14 ABC3D13E14 -60.92 3.88 -9.22 -1.12 0
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14100 404233 1 N2O4H24C27 A2B4C24D27 -47.35 6.71 -8.85 -0.64 0
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14101 404241 1 N2O3C10H10 A2B3C10D10 -91.52 5.38 -9.35 -1.13 0
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14102 404449 1 N2O4H10C15 A2B4C10D15 -73.05 6.44 -9.65 -1.66 0
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14103 404501 1 SCl2N2O4C17H18 AB2C2D4E17F18 -148.48 7.03 -9.38 -0.79 0
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14104 404512 1 OSC6H6N6 ABC6D6E6 69.04 4.14 -9.84 -1.4 0
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14105 404525 1 N4O5H8C11 A4B5C8D11 -42.67 5.82 -9.7 -2.49 0
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14106 404598 2 N2O3H8C10 A2B3C8D10 -171.41 6.75 -9.28 -1.34 0
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14107 404604 1 NO4H19C26 AB4C19D26 -55.22 1.91 -8.58 -1.42 0
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14108 404613 1 ON4H20C24 AB4C20D24 98.51 3.72 -8.23 -0.77 0
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14109 404645 1 N5H13C17 A5B13C17 127.34 1.82 -8.84 -0.7 0
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14110 404650 1 Br2N3H8C11 A2B3C8D11 90.97 2.79 0.0 0.0 1
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14111 404694 1 ClNOH10C12 ABCD10E12 -21.07 4.33 -9.18 -0.94 0
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14112 404695 1 ClNOH10C15 ABCD10E15 3.16 3.03 -8.88 -0.94 0
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14113 404700 1 O3N4C23H26 A3B4C23D26 9.82 4.92 -8.56 -1.47 0
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14114 404716 1 ISO2N3H12C19 ABC2D3E12F19 61.78 4.15 -9.11 -1.38 0
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14115 404809 1 N2O3H16C22 A2B3C16D22 -22.09 1.26 -9.44 -1.13 0
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14116 404831 2 SN2O6H15C21 AB2C6D15E21 -207.73 14.94 -9.18 -2.86 0
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14117 404930 1 O2N3C17H19 A2B3C17D19 -20.09 7.07 -8.27 -0.44 0
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14118 404932 1 O2N4H16C17 A2B4C16D17 28.21 11.85 -8.78 -1.05 0
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14119 404942 1 OSN4H14C15 ABC4D14E15 43.58 1.19 -9.32 -0.89 0
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14120 404955 1 OSCl2N4H20C25 ABC2D4E20F25 63.76 5.85 -8.52 -0.72 0
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14121 404966 1 ClOSN4H21C25 ABCD4E21F25 59.62 5.18 -8.48 -0.56 0
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14122 404967 1 SO2N4H22C25 AB2C4D22E25 40.55 2.02 -8.33 -0.37 0
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14123 404968 1 SO2N4H24C26 AB2C4D24E26 31.43 3.78 -8.19 -0.28 0
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14124 404969 1 SO3N4H24C26 AB3C4D24E26 0.39 5.23 -8.35 -0.38 0
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14125 404975 1 ClON4C21H21 ABC4D21E21 48.73 3.09 -8.79 -1.19 0
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14126 404977 1 O3N4H26C27 A3B4C26D27 14.58 3.17 -8.68 -0.94 0
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14127 405011 1 IPO3H22C28 ABC3D22E28 21.81 7.93 -8.83 -1.94 0
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14128 405019 1 BrSO3N4C13H15 ABC3D4E13F15 -99.5 6.83 -8.72 -1.01 0
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14129 405044 10 C2H3 A2B3 -36.33 0.8 -8.73 0.68 0
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14130 405070 1 AsSN3O6C12H22 ABC3D6E12F22 -271.21 5.7 -9.26 -0.67 0
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14131 405082 1 N2O5H20C21 A2B5C20D21 -174.25 5.36 -9.42 -0.67 0
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14132 405083 1 SN2O4H20C21 AB2C4D20E21 -98.85 2.06 -9.28 -0.94 0
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14133 405090 1 SCl2N2O3H16C21 AB2C2D3E16F21 -67.31 6.36 -9.72 -1.3 0
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14134 405091 1 N4O8H16C21 A4B8C16D21 -130.23 8.09 -10.8 -1.84 0
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14135 405095 1 SN4O7H16C21 AB4C7D16E21 -57.81 3.22 -10.64 -1.93 0
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14136 405096 3 OC6H6 AB6C6 -87.2 4.25 -9.6 -0.02 0
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14137 405098 1 O7C34H34 A7B34C34 -184.75 1.2 -8.46 -0.07 0
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14138 405100 1 O5C20H22 A5B20C22 -170.25 3.95 -9.0 -0.04 0
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14139 405104 1 SN2O4C14H14 AB2C4D14E14 -114.61 3.91 -8.97 -0.99 0
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14140 405105 1 SN2O4C14H20 AB2C4D14E20 -165.36 4.04 -8.97 -0.95 0
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14141 405106 1 SN2O4C17H20 AB2C4D17E20 -142.25 5.57 -9.14 -0.95 0
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14142 405110 1 SN2O4C11H16 AB2C4D11E16 -165.71 2.89 -9.0 -0.78 0
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14143 405111 1 SN2O4C12H18 AB2C4D12E18 -165.41 4.53 -8.97 -0.96 0
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14144 405114 1 OC18H30 AB18C30 -88.6 2.21 -9.6 0.78 0
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14145 405115 2 OC10H15 AB10C15 -60.69 4.99 -9.32 -0.01 0
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14146 405122 2 O3C10H14 A3B10C14 -278.13 5.45 -10.1 -0.38 0
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14147 405123 1 O2N6C25H32 A2B6C25D32 -10.49 4.02 -8.74 0.18 0
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14148 405162 1 N4O4C11H11 A4B4C11D11 28.67 10.09 0.0 0.0 1
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14149 405170 1 ClN3O4H5C8 AB3C4D5E8 10.65 4.99 0.0 0.0 1
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14150 405194 1 SO2N6C16H16 AB2C6D16E16 38.28 3.24 -8.57 -1.27 0
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14151 405218 1 N4O4C21H22 A4B4C21D22 -5.59 5.04 -8.72 -1.68 0
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14152 405220 1 N5O5H19C20 A5B5C19D20 32.06 7.26 -9.07 -2.04 0
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14153 405228 2 O2N3H6C7 A2B3C6D7 25.75 5.82 -9.8 -1.87 0
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14154 405239 1 N3O3C10H13 A3B3C10D13 -33.17 1.87 -10.5 -0.92 0
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14155 405240 1 N3O5H21C22 A3B5C21D22 -37.52 3.06 -8.87 -0.94 0
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14156 405245 1 BrN4O4C40H54 AB4C4D40E54 -115.2 14.19 0.0 0.0 1
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14157 405276 1 ClNO3C14H14 ABC3D14E14 -101.37 5.79 -9.1 -1.03 0
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14158 405308 1 ON6C23H34 AB6C23D34 -17.22 2.08 -8.77 0.18 0
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14159 405358 1 Cl2N9O11C49H55 A2B9C11D49E55 -442.77 3.05 -8.14 -0.78 0
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14160 405425 1 O2N4H20C21 A2B4C20D21 35.74 5.09 -8.64 -0.9 0
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14161 405428 1 ON4C22H22 AB4C22D22 63.94 5.74 -8.49 -0.69 0
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14162 405442 1 O3N4C28H28 A3B4C28D28 16.88 4.64 -8.7 -1.02 0
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14163 405458 1 N4O8C31H36 A4B8C31D36 -312.86 1.21 -8.96 -0.44 0
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14164 405498 4 NOC6H7 ABC6D7 -20.21 4.91 -7.83 -1.5 0
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14165 405509 1 SO2Cl3N7H8C13 AB2C3D7E8F13 114.84 10.13 -8.86 -1.68 0
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14166 405590 1 SN5H11C12 AB5C11D12 94.25 4.98 -8.91 -0.75 0
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14167 405592 2 SH2N3C4 AB2C3D4 165.38 8.88 -9.24 -2.38 0
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14168 405712 1 ON5C19H19 AB5C19D19 59.55 1.37 -8.64 -0.5 0
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14169 405738 1 OSN2H16C17 ABC2D16E17 29.6 3.18 -8.55 -0.43 0
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14170 405758 1 O2N5C13H13 A2B5C13D13 5.75 14.04 -8.94 -0.66 0
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14171 405761 1 Cl2N5H11C13 A2B5C11D13 76.93 3.32 -9.06 -0.8 0
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14172 405765 1 Cl4O7H8C20 A4B7C8D20 -214.28 4.97 -9.09 -1.82 0
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14173 405772 1 BrSF3N4H18C23 ABC3D4E18F23 -34.45 4.13 -8.94 -1.24 0
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14174 405807 1 N2P2F5O7C16H23 A2B2C5D7E16F23 -635.49 5.62 -9.08 -0.89 0
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14175 405818 1 P2O8C17H28 A2B8C17D28 -477.61 4.65 -9.39 0.12 0
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14176 405825 1 OCl3H11C12 AB3C11D12 -38.43 4.35 -9.39 -0.42 0
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14177 405832 1 OCl2N4C14H16 AB2C4D14E16 30.48 4.59 -9.46 -1.3 0
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14178 405839 1 ClNC15H15 ABC15D15 50.69 4.2 0.0 0.0 1
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14179 405841 1 ClNOH18C21 ABCD18E21 45.17 5.17 -8.52 -0.77 0
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14180 405896 1 S2N3C9H9 A2B3C9D9 50.84 4.89 -8.45 -0.79 0
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14181 405943 1 ClNS2O3H10C18 ABC2D3E10F18 -15.11 2.4 -9.36 -1.65 0
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14182 406208 1 N2O3C12H12 A2B3C12D12 -99.71 6.08 -9.83 -0.57 0
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14183 406219 1 NOH13C20 ABC13D20 156.85 2.1 -8.77 -0.9 0