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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139013 52457603 1 ON3C27H32 AB3C27D32 41.76 8.65 0.0 0.0 0
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139014 52457701 2 ClNO2C10H11 ABC2D10E11 -162.98 4.56 -8.91 -0.72 0
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139015 52457726 1 O3N5C27H31 A3B5C27D31 1.25 8.73 -9.36 -0.94 0
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139016 52457967 1 ClN2O6C19H19 AB2C6D19E19 -115.66 4.3 -8.68 -1.57 0
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139017 52458213 1 BrClSN3O3H13C14 ABCD3E3F13G14 -67.59 5.84 -9.16 -1.26 0
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139018 52458865 1 SO2N3C19H31 AB2C3D19E31 -88.15 2.2 -9.01 -0.36 0
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139019 52459278 1 SN3O4C20H27 AB3C4D20E27 -142.49 3.22 -9.4 -0.78 0
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139020 52459476 1 ClN2O4C21H21 AB2C4D21E21 -97.1 3.27 -8.91 -0.59 0
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139021 52460685 1 ClN2O2C15H23 AB2C2D15E23 -112.87 3.12 -9.36 -0.17 0
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139022 52460686 1 ClN2O2C15H23 AB2C2D15E23 -111.93 2.36 -9.47 -0.23 2
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139023 52460731 1 O2N5C25H37 A2B5C25D37 -8.68 14.94 -4.95 -0.31 0
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139024 52460745 1 N2S2O3C16H16 A2B2C3D16E16 -42.65 3.61 -9.17 -1.53 0
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139025 52460955 1 N2O3C19H28 A2B3C19D28 -138.16 4.71 -9.32 0.01 0
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139026 52461222 1 O2N3C21H21 A2B3C21D21 -1.01 9.36 -8.56 -0.29 0
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139027 52461257 1 ClFSN3O3C21H27 ABCD3E3F21G27 -108.56 21.37 -6.95 -1.03 0
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139028 52461774 1 ClO2N3C14H14 AB2C3D14E14 -54.67 10.81 -9.28 -0.83 0
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139029 52462118 1 O3N4C14H18 A3B4C14D18 -100.93 3.77 -8.67 -0.38 0
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139030 52462119 1 O3N4C14H18 A3B4C14D18 -101.06 3.56 -8.69 -0.39 0
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139031 52462120 4 NOC5H5 ABC5D5 -27.73 9.65 -9.07 -1.1 0
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139032 52462121 1 N3O3C21H23 A3B3C21D23 -81.93 3.89 -8.65 -0.45 0
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139033 52462148 1 OSN3H17C20 ABC3D17E20 55.27 3.86 -8.36 -0.91 0
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139034 52462160 1 ON7H17C22 AB7C17D22 150.65 5.65 -8.54 -1.66 0
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139035 52462920 1 SN2O4C18H20 AB2C4D18E20 -121.28 5.21 -8.75 -0.67 0
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139036 52463514 1 NO5H17C18 AB5C17D18 -166.14 5.26 -8.99 -1.06 1
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139037 52463655 1 ON2C23H29 AB2C23D29 13.14 2.13 0.0 0.0 0
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139038 52463722 1 N2O5H24C27 A2B5C24D27 -124.16 3.82 -9.39 -1.44 0
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139039 52463723 1 N3O6H21C22 A3B6C21D22 -125.83 12.73 -8.88 -1.69 0
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139040 52463724 1 NO5H17C19 AB5C17D19 -157.65 2.6 -10.03 -1.4 0
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139041 52463919 1 FOS2N4H17C20 ABC2D4E17F20 9.8 5.12 -9.06 -1.04 0
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139042 52463945 1 S2O3N4C21H24 A2B3C4D21E24 -38.05 9.82 -8.79 -0.49 0
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139043 52463989 1 S2N3O4C17H23 A2B3C4D17E23 -119.39 5.13 -9.39 -1.12 0
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139044 52464227 1 SN2O6C20H26 AB2C6D20E26 -217.77 4.69 -8.98 -0.63 0
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139045 52464246 1 ClSN2O6H17C21 ABC2D6E17F21 -97.54 10.48 -9.58 -1.52 0
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139046 52464340 1 BrNOF2H6C13 ABCD2E6F13 -39.8 5.98 -9.88 -1.13 0
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139047 52464439 1 SO3N4C24H32 AB3C4D24E32 -114.36 9.47 -9.08 -0.83 0
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139048 52464440 1 SO3N4C24H32 AB3C4D24E32 -108.93 10.48 -9.08 -0.94 0
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139049 52464715 1 OSN5C25H33 ABC5D25E33 24.33 7.24 -8.33 -0.4 1
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139050 52465019 1 OF2N4C20H23 AB2C4D20E23 -38.86 4.05 0.0 0.0 1
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139051 52465374 1 ClSO2N3C19H25 ABC2D3E19F25 -43.53 2.57 0.0 0.0 0
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139052 52465592 1 N2O3C22H38 A2B3C22D38 -202.66 2.28 -9.36 1.09 1
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139053 52465708 1 ON4C16H27 AB4C16D27 -9.46 4.62 0.0 0.0 0
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139054 52465845 1 O2N3C17H19 A2B3C17D19 -15.38 4.17 -8.63 -0.28 -1
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139055 52465910 1 BrSN3O3H13C18 ABC3D3E13F18 23.75 2.81 0.0 0.0 0
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139056 52465941 1 N2O3C21H32 A2B3C21D32 -147.67 4.43 -8.93 0.07 0
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139057 52466639 1 SN2O2C10H12 AB2C2D10E12 11.06 5.68 -9.26 -1.65 0
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139058 52466658 1 FNO4H14C16 ABC4D14E16 -86.48 7.64 -9.53 -1.45 0
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139059 52467145 1 ClNOC20H22 ABCD20E22 -3.39 3.89 -9.41 -0.21 0
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139060 52467279 1 SF2N3O3C15H15 AB2C3D3E15F15 -160.17 7.91 -9.64 -1.22 0
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139061 52467508 1 BrO2N3H10C11 AB2C3D10E11 26.93 3.07 -9.6 -0.86 0
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139062 52467509 1 O2N3C13H13 A2B3C13D13 47.47 5.36 -9.89 -0.56 0
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139063 52467510 1 BrSO2N3H6C8 ABC2D3E6F8 53.66 7.06 -9.84 -1.6 0
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139064 52467511 1 SO2N3C14H17 AB2C3D14E17 16.07 9.29 -9.45 -1.04 0
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139065 52467512 1 O2N3C10H13 A2B3C10D13 5.37 1.84 -9.7 -0.69 0
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139066 52467513 1 O2N3C10H13 A2B3C10D13 9.08 7.94 -9.65 -0.33 0
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139067 52467514 1 ON2C15H18 AB2C15D18 -20.68 1.6 -8.87 -0.65 0
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139068 52467515 1 ON2C15H18 AB2C15D18 -18.1 3.86 -9.02 -0.85 0
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139069 52467516 1 SN3O7C15H19 AB3C7D15E19 -123.92 3.36 -10.42 -2.5 0
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139070 52467517 1 SN3O7C15H19 AB3C7D15E19 -124.14 5.22 -10.58 -2.48 0
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139071 52467849 1 SN2O4C24H26 AB2C4D24E26 -111.33 6.0 -8.7 -0.4 0
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139072 52468392 1 O2N3C17H19 A2B3C17D19 -16.34 6.87 -8.63 -0.38 0
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139073 52469243 1 ClN2O3C19H23 AB2C3D19E23 -118.07 4.0 -9.3 -0.27 0
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139074 52469351 1 SO3N5C17H23 AB3C5D17E23 -74.92 9.91 -9.06 -0.64 0
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139075 52469352 1 SO3N5C17H23 AB3C5D17E23 -75.71 5.26 -9.21 -0.73 0
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139076 52469353 1 SN3O5C18H23 AB3C5D18E23 -170.09 6.26 -9.59 -0.92 0
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139077 52469354 1 SN3O5C18H23 AB3C5D18E23 -168.65 5.75 -9.51 -0.75 0
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139078 52469355 2 NO2C9H10 AB2C9D10 -126.67 4.52 -9.51 -0.79 0
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139079 52469356 1 F3N3O3C17H20 A3B3C3D17E20 -285.33 5.83 -9.16 -0.51 0
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139080 52469357 1 F3N3O3C17H20 A3B3C3D17E20 -286.31 3.01 -9.26 -0.61 0
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139081 52469358 1 F3N3O3C17H20 A3B3C3D17E20 -285.39 6.29 -9.13 -0.5 0
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139082 52469359 1 F3N3O3C17H20 A3B3C3D17E20 -285.53 5.39 -9.18 -0.53 0
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139083 52469680 1 O2N5C25H37 A2B5C25D37 -67.48 9.46 -8.29 0.33 0
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139084 52469744 1 ClN2O2H23C24 AB2C2D23E24 -5.81 3.57 -8.23 -0.23 -1
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139085 52470260 1 S3N4O4C15H17 A3B4C4D15E17 -84.36 3.53 0.0 0.0 0
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139086 52470261 1 O2N3C20H21 A2B3C20D21 -26.18 4.43 -9.67 -0.8 -1
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139087 52470262 1 S3N4O4C15H17 A3B4C4D15E17 -90.75 8.51 0.0 0.0 1
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139088 52470531 1 N3O5C24H34 A3B5C24D34 -141.31 3.94 0.0 0.0 0
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139089 52470532 1 N3O5C24H33 A3B5C24D33 -162.41 4.2 -8.21 -0.27 0
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139090 52470584 1 N3O4C25H31 A3B4C25D31 -66.12 3.18 -8.69 -0.25 0
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139091 52470614 2 N2O2C11H12 A2B2C11D12 -99.74 6.73 -8.35 -0.51 0
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139092 52470615 2 N2O2C11H12 A2B2C11D12 -99.42 6.79 -8.2 -0.44 1
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139093 52470891 1 O2N4C23H29 A2B4C23D29 12.04 5.14 0.0 0.0 0
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139094 52471345 2 ON2F3C7H8 AB2C3D7E8 -375.19 8.86 -9.83 -0.16 0
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139095 52471346 1 SO2N3C21H27 AB2C3D21E27 -43.67 1.07 -9.03 -0.67 0
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139096 52471495 1 N3O3C20H23 A3B3C20D23 -66.59 3.89 -8.15 -0.38 1
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139097 52471704 1 ON5C24H36 AB5C24D36 15.98 12.54 0.0 0.0 0
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139098 52471734 1 OSN3C15H21 ABC3D15E21 -6.52 4.04 -8.87 -0.38 0
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139099 52472252 1 O2S2N3C18H19 A2B2C3D18E19 -17.24 4.48 -9.07 -0.89 0
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139100 52472253 1 O2S2N3C18H19 A2B2C3D18E19 -18.96 3.78 -9.17 -0.87 0
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139101 52472343 2 NOC8H13 ABC8D13 -102.53 1.98 -8.17 0.22 -1
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139102 52472344 1 N2O2H23C28 A2B2C23D28 30.9 6.95 0.0 0.0 0
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139103 52472810 1 N3O3C26H37 A3B3C26D37 -101.49 3.46 -8.46 -0.26 1
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139104 52472811 1 N3O3C26H38 A3B3C26D38 -82.24 3.66 0.0 0.0 0
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139105 52472921 1 O3N5C24H31 A3B5C24D31 -48.6 6.3 -9.44 -0.71 0
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139106 52473163 1 FSN2O6C19H25 ABC2D6E19F25 -287.59 5.44 -9.12 -0.39 0
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139107 52473578 1 OS3N4C19H22 AB3C4D19E22 41.73 8.13 -8.78 -1.16 0
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139108 52473618 1 O2S2N5C18H21 A2B2C5D18E21 34.78 9.51 -8.8 -1.23 0
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139109 52474484 1 OS2F3N3H16C18 AB2C3D3E16F18 -122.77 5.05 -9.28 -1.74 1
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139110 52475081 1 N2O4C18H25 A2B4C18D25 -75.5 6.18 0.0 0.0 0
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139111 52475082 2 NO2C9H12 AB2C9D12 -64.67 5.52 -9.16 -1.11 0
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139112 52475570 1 ClSO2N3C17H18 ABC2D3E17F18 -44.84 7.42 -8.77 -0.61 0