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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85205 49872329 1 PSN8O11C32H49 ABC8D11E32F49 -544.24 11.46 -9.18 -0.22 0
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85206 49872331 1 O2N3C23H29 A2B3C23D29 -70.8 2.46 -9.15 -0.73 0
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85207 49872332 1 ClO2N3H24C25 AB2C3D24E25 -17.03 2.47 -9.24 -0.82 0
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85208 49872382 1 ClFON5C24H25 ABCD5E24F25 -12.76 9.78 -8.76 -0.95 0
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85209 49872383 2 OF2N3H10C11 AB2C3D10E11 -146.22 8.94 -8.49 -1.01 0
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85210 49872438 1 O2N3C23H23 A2B3C23D23 -3.84 2.76 -9.25 -0.85 0
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85211 49872440 1 O2N3C22H33 A2B3C22D33 -98.63 6.58 -8.96 -0.95 0
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85212 49872443 1 O2N3C21H31 A2B3C21D31 -92.43 6.18 -8.65 -0.91 0
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85213 49872472 1 O2N3C27H27 A2B3C27D27 7.73 4.26 -7.98 -0.13 0
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85214 49872481 1 O2F4N7H17C20 A2B4C7D17E20 -138.27 6.32 -8.78 -0.98 0
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85215 49872482 1 OF3N6H19C21 AB3C6D19E21 -62.78 6.31 -8.51 -0.96 0
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85216 49872492 1 I2N2O6C31H36 A2B2C6D31E36 -194.93 2.71 -8.66 -0.79 0
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85217 49872493 1 Cl2N2O9H26C29 A2B2C9D26E29 -291.36 1.75 -9.43 -0.98 0
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85218 49872509 1 N11O14C54H57 A11B14C54D57 -389.4 6.12 -8.54 -1.37 0
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85219 49872552 1 OSN4H16C17 ABC4D16E17 32.78 4.78 -8.6 -0.64 0
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85220 49872561 1 NO2F5H28C29 AB2C5D28E29 -295.83 8.07 -9.19 -1.07 0
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85221 49872564 1 NPC9O9H18 ABC9D9E18 -480.32 3.23 -10.3 -0.21 0
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85222 49872598 1 ClN2F3O3H18C21 AB2C3D3E18F21 -235.33 6.61 -8.15 -0.92 0
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85223 49872605 1 N4O7C35H44 A4B7C35D44 -254.02 1.89 -8.53 -0.92 0
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85224 49872606 1 N4O8C31H44 A4B8C31D44 -364.95 5.79 -8.96 -0.62 0
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85225 49872607 1 N4O9C32H46 A4B9C32D46 -403.8 4.32 -8.5 -0.18 0
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85226 49872608 1 N4O8C33H48 A4B8C33D48 -369.16 5.42 -8.7 -0.38 0
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85227 49872613 1 O5C21H30 A5B21C30 -218.37 4.88 -9.06 -0.84 0
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85228 49872614 1 O5C22H32 A5B22C32 -225.93 5.58 -9.01 -0.84 0
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85229 49872619 1 O5N8C23H30 A5B8C23D30 -85.17 1.7 -9.03 -0.75 0