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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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442939 135257003 1 P3S3N11O18C54H71 A3B3C11D18E54F71 -764.21 14.28 0.0 0.0 0
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442940 135257005 1 N3P3C10O12H18 A3B3C10D12E18 -704.76 9.93 -9.89 -0.76 0
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442941 135257008 1 S2P3N8O21C32H53 A2B3C8D21E32F53 -1014.55 8.59 -9.11 -1.52 0
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442942 135257009 1 S2N3O7C18H37 A2B3C7D18E37 -343.81 2.04 -8.94 -1.02 0
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442943 135257010 1 SP2N3O13C21H31 AB2C3D13E21F31 -640.78 5.37 -8.75 -0.33 1
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442944 135257011 1 PSN2O10C21H28 ABC2D10E21F28 -398.58 5.04 0.0 0.0 1
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442945 135257012 1 SP2N5O12C22H30 AB2C5D12E22F30 -497.46 14.4 0.0 0.0 0
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442946 135257013 1 SP2N5O12C22H31 AB2C5D12E22F31 -550.18 3.01 -8.53 -0.4 0
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442947 135257014 1 N3P3O15C16H24 A3B3C15D16E24 -827.16 4.5 -9.72 -1.16 0
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442948 135257015 2 NO4H28C36 AB4C28D36 -69.27 4.66 -8.52 -2.25 0
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442949 135257021 1 N2O2H16C17 A2B2C16D17 -2.56 2.07 -8.85 -1.01 0
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442950 135257068 1 OSN2C5H10 ABC2D5E10 -4.03 4.51 -8.73 -0.24 1
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442951 135257071 1 PO4N5C14H17 AB4C5D14E17 -95.08 0.89 0.0 0.0 0
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442952 135257073 1 ClOSN7C21H26 ABCD7E21F26 30.9 5.05 -8.54 -0.86 0
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442953 135257075 1 F3O3N6C19H21 A3B3C6D19E21 -174.05 0.96 -8.34 -0.67 0
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442954 135257117 1 NOC10H19 ABC10D19 -67.56 4.54 -8.38 0.76 0
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442955 135257118 1 ClOSN7C22H26 ABCD7E22F26 64.02 3.02 -8.74 -1.08 0
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442956 135257120 1 O2N3C11H19 A2B3C11D19 -99.74 2.61 -8.97 0.07 0
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442957 135257129 1 NO2C10H19 AB2C10D19 -105.04 2.06 -9.03 2.06 0
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442958 135257133 1 ClO2N5C23H28 AB2C5D23E28 -5.82 4.04 -8.23 -0.47 0
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442959 135257143 1 NO2C16H21 AB2C16D21 -58.49 1.57 -8.32 0.24 0
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442960 135257145 1 ClO2N5C15H18 AB2C5D15E18 -47.79 6.35 -7.74 -0.55 0
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442961 135257149 1 ClON3C14H16 ABC3D14E16 93.12 3.56 -8.38 -0.61 0
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442962 135257150 1 ClON3C14H14 ABC3D14E14 104.22 4.87 -8.44 -0.67 0
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442963 135257151 1 ClOSN7C22H28 ABCD7E22F28 28.69 1.0 -8.61 -0.85 0