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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402029 135053928 3 FOC5H9 ABC5D9 -349.47 4.01 -10.24 1.1 0
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402030 135053930 1 FNO3C18H20 ABC3D18E20 -138.14 2.53 -8.17 -0.22 0
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402031 135053934 1 NO2C8H13 AB2C8D13 -84.15 4.08 -11.47 0.26 0
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402032 135053942 1 NO4C16H21 AB4C16D21 -131.81 5.01 -8.99 0.02 0
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402033 135053945 1 NO3C13H19 AB3C13D19 -136.15 4.67 -9.59 0.14 0
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402034 135053946 1 SiO3C17H36 AB3C17D36 -226.85 4.04 -9.04 0.55 0
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402035 135053950 1 ClNPO3C30H37 ABCD3E30F37 -164.28 7.37 -9.26 -0.28 0
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402036 135053955 1 BrNO3H18C19 ABC3D18E19 -54.59 5.59 -8.53 -0.68 0
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402037 135053956 1 N2O5C21H26 A2B5C21D26 -119.79 2.89 -9.51 -0.58 0
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402039 135053988 1 NO4C13H23 AB4C13D23 -219.99 4.29 -10.04 0.33 0
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402040 135053992 3 NO2C8H9 AB2C8D9 -118.75 7.88 -9.21 -1.03 1
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402041 135053994 1 N3O5C19H28 A3B5C19D28 -167.78 4.65 0.0 0.0 0
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402042 135053997 1 O3N4C22H22 A3B4C22D22 -14.92 3.14 -9.46 -1.15 0
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402043 135053999 1 SN2O4C13H20 AB2C4D13E20 -185.89 8.05 -8.85 -0.66 0
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402044 135054001 2 NO2C9H14 AB2C9D14 -129.49 4.03 -9.57 -0.3 0
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402045 135054010 4 O2C7H8 A2B7C8 -275.46 4.68 -8.54 0.14 0
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402046 135054013 1 O5C19H22 A5B19C22 -174.67 2.7 -9.79 -0.41 0
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402047 135054014 1 O3C19H24 A3B19C24 -90.88 5.61 -10.12 -0.87 0
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402048 135054016 1 FNO2H16C21 ABC2D16E21 -45.96 1.93 -9.75 -1.01 -1
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402049 135054028 1 CoNOSi2C24H37 ABCD2E24F37 -19.64 26.72 0.0 0.0 0
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402050 135054039 1 N3O6C19H29 A3B6C19D29 -259.16 6.27 -9.49 -0.3 0
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402051 135054064 1 SO2C20H22 AB2C20D22 -61.28 4.07 -8.46 -0.59 0
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402052 135054083 1 P2O11C12H26 A2B11C12D26 -613.14 3.55 -9.31 0.29 -2
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402053 135054084 1 PO8C12H15 AB8C12D15 -258.38 4.04 -9.71 -1.85 0
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402054 135054085 1 PO8C12H17 AB8C12D17 -380.13 3.34 -9.47 -0.65 0
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402055 135054087 1 PC7O9H15 AB7C9D15 -467.13 3.05 -10.45 -0.79 0
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402056 135054095 1 NO5C12H17 AB5C12D17 -149.14 4.17 -9.83 -0.09 0
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402057 135054101 1 SN2O4C9H16 AB2C4D9E16 -179.95 4.59 -10.02 -0.65 0
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402058 135054102 1 O2H16C17 A2B16C17 6.68 1.84 -9.29 -0.33 0
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402059 135054106 1 BrN2S3O7C25H25 AB2C3D7E25F25 -218.08 10.0 -9.62 -1.13 0
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402060 135054107 1 S3N5O7C25H25 A3B5C7D25E25 -142.56 14.03 -9.4 -1.39 0
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402061 135054115 1 NO2C19H27 AB2C19D27 -101.05 2.12 -8.44 0.26 0
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402062 135054117 1 NO2C14H21 AB2C14D21 -101.85 4.26 -8.68 0.21 0
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402063 135054120 3 OC6H8 AB6C8 -104.77 4.1 -9.39 -0.18 0
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402064 135054127 1 SO4C14H16 AB4C14D16 -141.72 1.48 -9.06 -0.82 0
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402065 135054134 2 O2C5H6 A2B5C6 -127.46 1.81 -9.6 -0.39 0
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402066 135054137 1 O4C23H30 A4B23C30 -85.43 3.95 -9.31 -0.03 0
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402067 135054138 1 NO3C22H23 AB3C22D23 -74.01 3.84 -9.49 0.11 0
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402068 135054145 1 NOC19H21 ABC19D21 5.18 3.72 -9.4 -0.23 0
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402069 135054146 1 ClFN3O4H11C18 ABC3D4E11F18 -30.24 5.25 -10.01 -1.3 0
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402070 135054147 1 ClFN3O4H11C18 ABC3D4E11F18 -30.65 3.72 -10.07 -1.3 0
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402071 135054148 1 FNO5C28H30 ABC5D28E30 -227.38 5.13 -9.24 -0.85 0
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402072 135054151 1 FN2O4C13H17 AB2C4D13E17 -151.38 3.43 -10.04 -0.7 0
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402073 135054161 1 NO3C25H33 AB3C25D33 -140.25 3.35 -9.08 -0.11 0
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402074 135054177 1 FNO3C21H22 ABC3D21E22 -131.74 2.76 -9.56 -0.89 0
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402075 135054180 1 NSO4H23C25 ABC4D23E25 -82.33 5.36 -9.44 -0.44 0
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402076 135054182 1 SiO3C16H28 AB3C16D28 -190.1 2.12 -8.95 0.36 0
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402077 135054187 1 NOH15C20 ABC15D20 102.59 1.69 -8.95 -0.88 0
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402078 135054192 1 BrNO5H14C18 ABC5D14E18 -53.56 4.61 -8.97 -1.17 0
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402079 135054194 1 ClN2O4H15C18 AB2C4D15E18 -29.71 9.08 -9.49 -0.94 -1
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402080 135054198 1 CoOPC32H35 ABCD32E35 32.53 42.6 0.0 0.0 0
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402081 135054208 1 SiCl3N3O3C27H44 AB3C3D3E27F44 -181.42 2.29 -8.8 -0.49 0
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402082 135054209 2 OC8H9 AB8C9 -38.33 5.18 -9.74 -0.68 0
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402083 135054269 1 O2C13H24 A2B13C24 -106.09 2.2 -9.89 2.0 0
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402084 135054270 1 NO2C12H15 AB2C12D15 -79.65 6.47 -9.6 -0.26 0
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402085 135054275 1 NO2F3C28H28 AB2C3D28E28 -205.52 3.52 -9.55 -0.41 0
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402086 135054292 2 O2C9H10 A2B9C10 -118.83 4.58 -8.84 -0.19 0
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402087 135054302 1 ClO4H19C20 AB4C19D20 -117.05 5.7 -9.36 -0.62 0
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402088 135054303 1 ON2C20H22 AB2C20D22 -4.04 4.94 -8.79 0.02 0
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402089 135054304 1 O5C22H28 A5B22C28 -213.79 3.66 -8.87 0.19 0
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402090 135054309 1 Si2O3C27H40 A2B3C27D40 -151.95 3.13 -8.03 -0.5 0
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402091 135054314 1 O3H22C25 A3B22C25 -47.64 4.17 -8.81 -0.58 0
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402092 135054318 1 FO3C27H27 AB3C27D27 -122.0 2.13 -9.29 -0.62 0
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402093 135054324 1 ClN2O2H27C32 AB2C2D27E32 41.43 1.93 -8.51 -0.39 0
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402094 135054326 1 N2O2H32C33 A2B2C32D33 -8.26 4.32 -7.97 0.11 0
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402095 135054328 1 N2O2H30C33 A2B2C30D33 41.79 2.8 -8.44 -0.1 0
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402096 135054335 1 O4C19H26 A4B19C26 -142.22 3.88 -8.98 0.01 0
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402097 135054340 1 B2O5C32H40 A2B5C32D40 -326.78 4.17 -8.53 0.04 0
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402098 135054342 1 B2O4C33H42 A2B4C33D42 -295.88 2.59 -8.29 0.25 -1
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402099 135054344 1 CoB2O4C43H50 AB2C4D43E50 -195.29 26.01 0.0 0.0 0
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402100 135054346 1 BO3H37C38 AB3C37D38 -46.19 3.86 -7.82 -0.69 -1
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402101 135054356 1 CoOSi2C20H34 ABC2D20E34 -38.87 35.86 0.0 0.0 0
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402102 135054367 1 O6H20C23 A6B20C23 -175.8 3.31 -9.91 -0.83 0
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402103 135054372 1 N2O3H24C28 A2B3C24D28 -21.81 5.99 -9.1 -0.68 0
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402104 135054373 1 NO4C20H23 AB4C20D23 -131.14 2.1 -9.1 0.14 0
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402105 135054394 1 BrNOC15H16 ABCD15E16 13.19 3.06 -10.01 -1.01 0
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402106 135054398 1 OSN3C22H27 ABC3D22E27 87.69 1.29 -8.8 -0.21 0
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402107 135054400 1 NO4C17H21 AB4C17D21 -169.03 5.47 -9.83 -0.55 0
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402108 135054405 2 O2C6H7 A2B6C7 -138.58 3.11 -8.88 0.29 0
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402109 135054408 1 FNS2O3C18H22 ABC2D3E18F22 -117.05 8.78 -8.9 -0.45 0
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402110 135054414 1 SO3C46H46 AB3C46D46 0.83 5.17 -8.47 -0.17 0
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402111 135054420 1 SN2O7C17H22 AB2C7D17E22 -272.19 6.58 -9.72 -0.81 0
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402112 135054433 1 ClSiO3C23H39 ABC3D23E39 -229.8 4.51 -8.84 0.19 0
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402113 135054437 1 O4C5H10 A4B5C10 -178.03 2.08 -10.49 -0.26 0
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402114 135054439 1 PO8C9H17 AB8C9D17 -420.3 2.4 -10.17 -0.01 0
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402115 135054449 2 OC6H11 AB6C11 -136.74 1.85 -10.42 0.97 0
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402116 135054455 1 OSN2H22C24 ABC2D22E24 69.18 8.45 -8.96 -1.22 0
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402117 135054473 1 ON2C18H20 AB2C18D20 33.36 3.09 -8.93 -0.26 0
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402118 135054477 1 NO5C18H23 AB5C18D23 -215.38 5.07 -9.96 -0.3 0
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402119 135054483 1 O3C17H26 A3B17C26 -134.34 2.2 -9.06 0.5 0
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402120 135054485 1 NSO3C22H25 ABC3D22E25 -78.77 5.56 -9.36 -0.47 0
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402121 135054487 1 N2O3H12C14 A2B3C12D14 17.19 5.94 -8.82 -0.43 0
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402122 135054495 1 O6C21H26 A6B21C26 -235.87 4.91 -8.71 0.16 0
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402123 135054496 1 O5C18H20 A5B18C20 -164.73 2.08 -8.5 -0.26 0
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402124 135054497 1 BrNSO3C22H24 ABCD3E22F24 -73.47 7.02 -9.34 -0.51 0
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402125 135054507 1 NO7C32H37 AB7C32D37 -265.45 3.76 -8.64 -0.6 0
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402126 135054513 1 FO2C12H13 AB2C12D13 -112.22 5.28 -9.78 -0.11 -1
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402127 135054520 1 CoOC31H36 ABC31D36 41.59 16.78 0.0 0.0 0
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402128 135054528 1 NSO3C20H25 ABC3D20E25 -63.11 6.26 -9.27 -0.42 0
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402129 135054539 2 O5C18H20 A5B18C20 -361.62 5.13 -8.99 -0.04 0