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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47017 10528985 1 NSO4C29H29 ABC4D29E29 -97.51 5.39 -8.71 -0.64 0
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47018 10528989 1 NSiO3C29H49 ABC3D29E49 -216.97 4.38 -8.7 0.48 0
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47020 10528994 1 BrNO4H18C26 ABC4D18E26 -56.05 8.23 -8.28 -1.19 0
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47021 10528997 1 BrNSO4H22C23 ABCD4E22F23 -99.09 3.15 -9.45 -1.07 0
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47022 10528998 1 PN2O10C20H29 AB2C10D20E29 -316.73 5.38 -9.91 -1.28 1
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47023 10529001 1 NSeS2C14H14 ABC2D14E14 85.46 5.01 0.0 0.0 0
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47024 10529003 1 Cl2S2N3O3C20H23 A2B2C3D3E20F23 -77.8 15.43 -8.02 -0.69 0
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47025 10529010 1 N4O9C21H36 A4B9C21D36 -405.03 7.45 -9.98 -0.32 0
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47026 10529012 2 O3C15H16 A3B15C16 -156.1 3.47 -9.27 0.12 0
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47027 10529019 1 SN2O4C28H28 AB2C4D28E28 -55.71 6.31 -8.68 -0.86 0
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47028 10529021 1 SiO8C25H32 AB8C25D32 -340.47 3.0 -9.96 -0.75 0
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47029 10529026 2 NO2C15H18 AB2C15D18 -97.66 2.43 -8.81 -0.77 0
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47030 10529027 1 N2S2O5C24H28 A2B2C5D24E28 -105.99 6.55 -8.62 -0.98 0
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47031 10529035 1 SO5C28H40 AB5C28D40 -202.02 6.28 -9.19 -0.46 0
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47032 10529036 1 SiO4C30H36 AB4C30D36 -152.73 1.37 -8.99 0.02 0
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47033 10529037 1 SiO4C30H36 AB4C30D36 -158.12 4.33 -8.94 -0.73 0
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47034 10529040 1 BrClNSO8C15H19 ABCDE8F15G19 -336.8 3.13 -9.87 -1.31 0
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47035 10529070 1 NSiO4C29H35 ABC4D29E35 -161.48 3.82 -9.18 -0.03 0
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47036 10529074 1 ClFO2N3C27H37 ABC2D3E27F37 -85.51 2.42 -8.72 -0.21 0
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47037 10529078 4 ClNOC4H9 ABCD4E9 -336.47 10.52 -10.0 -1.19 0
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47038 10529079 4 NOC4H8 ABC4D8 -192.16 5.74 -9.15 0.39 0
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47039 10529083 1 FN6O6C22H27 AB6C6D22E27 -215.89 11.62 -9.37 -0.4 0
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47040 10529122 2 NCl3H5C10 AB3C5D10 65.96 7.92 -9.7 -1.71 1
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47041 10529128 1 NO3C22H38 AB3C22D38 -86.31 5.19 0.0 0.0 0
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47042 10529130 1 NPSO7C23H26 ABCD7E23F26 -299.57 2.88 -9.04 -0.67 0
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47043 10529138 1 N3O4C29H37 A3B4C29D37 -105.06 5.61 -9.27 -0.28 0
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47044 10529140 1 NSO6C26H37 ABC6D26E37 -215.69 4.57 -8.98 -0.47 0
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47045 10529150 1 ClNSSiO3C25H34 ABCDE3F25G34 -141.38 6.59 -8.85 -0.66 0
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47046 10529154 1 OH19C28 AB19C28 113.44 3.34 0.0 0.0 0
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47047 10529164 1 O5N6C25H28 A5B6C25D28 -144.02 10.22 -8.83 -0.87 0
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47048 10529173 1 O4H32C33 A4B32C33 -72.78 3.65 -8.73 0.1 0
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47049 10529177 1 SN2O6C25H36 AB2C6D25E36 -263.77 8.66 -8.8 -0.34 0
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47050 10529183 2 NO2C15H20 AB2C15D20 -154.84 0.93 -8.63 -0.67 0
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47051 10529184 1 SN2O5C26H40 AB2C5D26E40 -259.98 4.18 -8.95 -0.13 0
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47052 10529187 1 ClSO7C24H25 ABC7D24E25 -260.76 4.38 -9.05 -0.65 0
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47053 10529198 1 N3O3C31H31 A3B3C31D31 -19.31 6.01 -9.0 -0.18 0
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47054 10529200 1 NSiO5C28H35 ABC5D28E35 -211.19 2.37 -8.41 -0.08 0
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47055 10529202 1 NO6C28H47 AB6C28D47 -324.67 2.93 -9.46 0.3 2
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47056 10529215 2 NC8H10 AB8C10 47.09 0.73 -7.38 0.55 0
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47057 10529223 1 O6H26C31 A6B26C31 -110.23 6.05 -8.56 -1.0 0
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47058 10529227 1 SN2O6C26H26 AB2C6D26E26 -152.68 2.91 -8.75 -0.78 0
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47059 10529230 1 O3N4C30H30 A3B4C30D30 105.81 6.15 -8.65 -0.64 0
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47060 10529234 1 ON2H30C35 AB2C30D35 103.95 4.78 -8.58 -0.29 0
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47061 10529240 1 O5C30H54 A5B30C54 -313.54 4.06 -8.8 1.46 0
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47062 10529248 1 NO8C27H29 AB8C27D29 -201.34 4.25 -8.7 -0.26 0
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47063 10529258 1 N3O3C31H33 A3B3C31D33 -39.94 2.95 -8.79 -0.38 1
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47064 10529268 1 SN3O3C21H22 AB3C3D21E22 -59.14 3.85 0.0 0.0 0
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47065 10529269 1 ClS2N3O3H18C24 AB2C3D3E18F24 3.66 8.88 -8.42 -1.25 0
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47066 10529275 2 NO5H10C12 AB5C10D12 -348.68 9.27 -9.57 -1.82 0
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47067 10529316 1 SN3O6C25H27 AB3C6D25E27 -199.81 8.73 -9.48 -0.62 0
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47068 10529317 1 SN5O7C21H31 AB5C7D21E31 -266.37 4.89 -9.88 -0.74 0
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47069 10529334 1 IO3N4C20H27 AB3C4D20E27 -97.24 3.1 -8.48 -0.99 0
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47070 10529341 1 ISiO4C20H39 ABC4D20E39 -274.47 3.76 -9.83 -0.88 0
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47071 10529361 1 ClN2O4C28H35 AB2C4D28E35 -172.9 3.61 -8.94 -0.46 0
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47072 10529362 1 FBr2N3O4H10C17 AB2C3D4E10F17 -146.99 2.14 -9.98 -1.43 0
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47073 10529401 2 NOH16C17 ABC16D17 46.55 6.69 -9.0 -0.3 0
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47074 10529403 1 BSiO3C30H53 ABC3D30E53 -237.07 2.4 -9.17 0.57 0
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47075 10529427 1 N3O7C26H35 A3B7C26D35 -280.41 3.68 -9.38 -0.61 0
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47076 10529438 1 N3O3C31H39 A3B3C31D39 -136.59 1.55 -8.79 0.01 0
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47077 10529440 1 Cl3O6C23H23 A3B6C23D23 -260.21 1.87 -9.95 -0.9 0
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47078 10529448 1 SO6N8C20H22 AB6C8D20E22 -153.67 9.96 -9.0 -1.17 0
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47079 10529455 1 SN4O4H26C27 AB4C4D26E27 -27.68 7.24 -8.17 -0.82 0
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47080 10529459 1 N2S2O4H22C27 A2B2C4D22E27 -55.14 6.41 -9.19 -1.03 0
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47081 10529460 1 SO3N4C28H30 AB3C4D28E30 -21.45 1.9 -8.36 -0.42 0
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47082 10529464 1 SSiO4C28H42 ABC4D28E42 -189.23 7.5 -8.82 -0.58 0
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47083 10529469 1 ClN2O2S2C26H31 AB2C2D2E26F31 -13.04 6.11 -8.64 -0.35 0
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47084 10529470 1 ISN3O3H14C20 ABC3D3E14F20 -0.91 2.31 -9.38 -1.39 1
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47085 10529473 1 PC30H32 AB30C32 150.56 8.01 0.0 0.0 0
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47086 10529481 1 NO6C30H33 AB6C30D33 -158.55 6.62 -9.62 -0.24 0
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47087 10529487 1 SN3O6C25H33 AB3C6D25E33 -153.42 8.65 -8.74 -0.95 0
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47088 10529491 1 N3O4C30H37 A3B4C30D37 -138.62 4.45 -8.62 -0.18 0
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47089 10529493 1 NO6C29H45 AB6C29D45 -306.74 6.58 -8.71 0.04 0
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47090 10529501 1 ClNSO4H22C28 ABCD4E22F28 -59.54 7.62 -8.68 -0.67 0
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47091 10529503 1 O2Cl3N4C21H21 A2B3C4D21E21 -19.11 4.35 -8.68 -1.24 0
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47092 10529523 1 SiN4C32H36 AB4C32D36 68.21 3.51 -7.45 0.31 0
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47093 10529525 1 SiO5C29H48 AB5C29D48 -301.9 3.46 -8.84 -0.65 0
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47094 10529531 1 ClOSN4C28H29 ABCD4E28F29 100.31 2.39 -8.57 -0.57 0
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47095 10529540 1 BrN2O6C23H25 AB2C6D23E25 -127.25 9.23 -9.67 -0.73 0
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47096 10529544 1 NF3O6C26H26 AB3C6D26E26 -354.48 4.78 -9.76 -0.57 0
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47097 10529545 1 BrSiN2O3C24H33 ABC2D3E24F33 -143.91 4.26 -8.86 -0.89 0
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47098 10529552 1 N3O6C27H43 A3B6C27D43 -266.49 10.85 -9.03 -0.81 0
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47099 10529563 1 ClNSO5C26H32 ABCD5E26F32 -108.52 4.01 -8.19 -2.1 0
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47100 10529565 1 Cl2N3O3H21C27 A2B3C3D21E27 53.06 5.96 -8.73 -1.15 0
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47101 10529574 1 SN2O8C24H30 AB2C8D24E30 -309.94 5.05 -9.39 -1.03 0
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47102 10529576 2 NO4C13H19 AB4C13D19 -368.96 2.09 -9.45 -0.48 0
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47103 10529597 1 ClF2N2O7H17C23 AB2C2D7E17F23 -329.71 5.66 -9.78 -1.02 0
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47104 10529600 1 N2O5C27H38 A2B5C27D38 -175.97 2.07 -8.69 0.01 0
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47105 10529605 1 N5O5H21C28 A5B5C21D28 40.9 7.39 -9.38 -1.76 0
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47106 10529630 1 O11C25H32 A11B25C32 -423.46 5.14 -9.88 -0.74 0
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47107 10529634 1 N4O5C24H24 A4B5C24D24 -123.01 7.77 -8.64 -1.56 0
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47108 10529650 1 SN2O4C29H36 AB2C4D29E36 -122.59 5.08 -9.34 -0.79 0
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47109 10529681 1 NO8C27H43 AB8C27D43 -383.55 5.49 -9.96 0.06 0
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47110 10529685 1 NSSiO6C25H39 ABCD6E25F39 -320.38 6.34 -8.73 -0.84 0
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47111 10529688 1 NSSiO4C27H47 ABCD4E27F47 -229.56 4.7 -8.59 -0.17 0
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47112 10529697 1 OF3H16C25 AB3C16D25 -62.51 3.85 0.0 0.0 0
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47113 10529702 1 N6O6C25H30 A6B6C25D30 -174.86 7.54 -8.98 -1.0 0
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47114 10529703 1 N6O6C25H30 A6B6C25D30 -194.98 4.61 -8.44 -0.92 0
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47115 10529704 1 FN2O4H27C31 AB2C4D27E31 -76.19 2.56 -8.93 -1.43 0
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47116 10529705 1 SN4O6C25H26 AB4C6D25E26 -106.33 15.4 -9.06 -1.75 0
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47117 10529716 1 SN4O6C24H38 AB4C6D24E38 -246.93 6.87 -9.26 -0.43 0