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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228500 87564982 1 FeINOC12H14 ABCDE12F14 172.62 4.82 -7.43 -0.74 0
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228501 87564998 1 FO2N4C25H33 AB2C4D25E33 -47.74 5.03 -7.8 -0.22 0
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228502 87565002 1 N2O3C15H16 A2B3C15D16 -95.87 9.06 -8.83 -1.14 0
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228503 87565006 1 SP3N6O18C28H47 AB3C6D18E28F47 -956.67 4.96 -8.97 -0.36 0
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228504 87565012 1 SN3O5C7H13 AB3C5D7E13 -157.62 6.94 -9.41 -1.18 0
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228505 87565018 1 SCl2O8N12C38H48 AB2C8D12E38F48 -139.42 2.93 -8.35 -2.3 0
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228506 87565029 1 N2O9C15H24 A2B9C15D24 -414.27 4.65 -10.64 -0.61 1
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228507 87565034 1 SN3O4F6H14C19 AB3C4D6E14F19 -379.97 7.27 0.0 0.0 0
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228508 87565044 3 ClFNOC9H9 ABCDE9F9 -232.47 5.41 -8.85 -1.4 0
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228509 87565053 1 ClF3O4H18C23 AB3C4D18E23 -234.15 2.01 -8.92 -1.02 0
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228510 87565054 1 ClF2O2H11C14 AB2C2D11E14 -130.12 3.73 -9.67 -1.24 0
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228511 87565055 1 N2O3C22H24 A2B3C22D24 -43.42 3.56 -8.62 -0.86 0
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228512 87565083 1 N2Si2C5H14 A2B2C5D14 71.96 2.14 -5.42 -0.94 0
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228513 87565119 1 S2O4N6C17H22 A2B4C6D17E22 -89.09 3.27 -9.0 -1.78 0
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228515 87565137 1 S2N3O4C16H27 A2B3C4D16E27 -196.66 6.48 -9.29 -0.42 0
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228516 87565152 1 O2N5C17H39 A2B5C17D39 -103.22 5.76 -9.07 -0.28 0
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228517 87565162 1 SO4N6H14C19 AB4C6D14E19 150.15 9.45 -9.82 -2.5 0
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228518 87565168 1 ON2C8H16 AB2C8D16 -73.19 3.79 -9.44 1.17 0
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228519 87565175 1 FO2C27H43 AB2C27D43 -180.15 4.24 -8.85 -0.09 0
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228520 87565187 1 SO2N3C12H15 AB2C3D12E15 -42.22 3.46 -8.78 -0.39 0
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228521 87565188 1 ClN3O3F6C24H24 AB3C3D6E24F24 -403.45 4.59 -8.83 -1.34 0
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228522 87565191 1 INO4C10H18 ABC4D10E18 -177.66 6.14 -10.25 -1.95 0
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228523 87565204 1 N5O5H11C16 A5B5C11D16 72.25 3.86 -9.5 -2.23 0
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228524 87565214 1 NO3C24H39 AB3C24D39 -145.96 6.68 -9.52 0.35 0
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228525 87565216 1 SO4H6C10 AB4C6D10 -58.95 5.91 -8.89 -1.8 0
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228526 87565217 1 SO4H6C10 AB4C6D10 -69.58 5.72 -8.69 -1.18 0
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228527 87565218 1 SiH3O3C10F21 AB3C3D10E21 -1305.61 2.33 -12.01 -1.48 0
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228528 87565219 2 Cl2N3C4H7 A2B3C4D7 38.98 1.23 -9.97 -0.95 1
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228529 87565222 1 ClSF3O4N5C27H32 ABC3D4E5F27G32 -237.04 7.66 0.0 0.0 1
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228530 87565233 1 NO2C13H20 AB2C13D20 -39.74 2.41 0.0 0.0 0
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228531 87565235 1 PO2C30H41 AB2C30D41 -114.1 3.46 -9.04 0.23 0
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228532 87565236 1 PO2C12H29 AB2C12D29 -173.03 3.23 -8.78 1.94 0
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228533 87565237 1 S3N6O8C54H58 A3B6C8D54E58 -74.91 9.68 -8.53 -2.14 0
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228534 87565240 1 O2S2N6H18C19 A2B2C6D18E19 54.93 8.01 -8.56 -1.08 0
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228535 87565241 1 O2C13H22 A2B13C22 -103.52 0.97 -9.8 0.42 0
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228536 87565242 1 O2C13H22 A2B13C22 -97.79 3.65 -9.79 0.27 0
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228537 87565246 1 N2C7H18 A2B7C18 -33.26 3.21 -9.27 3.32 0
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228538 87565249 1 NSC5O5H13 ABC5D5E13 -209.46 14.1 -10.19 -0.8 0
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228539 87565250 1 O6N7C72H77 A6B7C72D77 -84.45 10.0 -8.69 -0.4 0
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228540 87565251 1 O3N4C36H38 A3B4C36D38 -36.55 7.09 -8.81 -0.32 0
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228541 87565253 1 N2O2C17H20 A2B2C17D20 -45.76 2.49 -9.36 -1.31 0
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228542 87565254 2 OH16C18 AB16C18 37.51 2.58 -7.66 -1.29 0
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228543 87565255 1 NSi2O4C13H30 AB2C4D13E30 -202.42 5.11 0.0 0.0 0
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228544 87565259 1 NOSiC5H13 ABCD5E13 -65.2 1.44 -7.17 0.73 0
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228545 87565260 1 N2O7C16H28 A2B7C16D28 -359.64 7.71 -10.2 0.15 0
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228546 87565261 1 H3O4N5C6 A3B4C5D6 97.11 5.82 -10.9 -2.42 0
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228547 87565262 1 H3O4N5C6 A3B4C5D6 90.75 6.96 -10.79 -2.58 0
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228548 87565263 1 N2O8C19H34 A2B8C19D34 -398.92 7.31 -9.97 0.11 1
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228549 87565264 1 SN3F6O6H14C19 AB3C6D6E14F19 -449.3 8.56 0.0 0.0 0
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228550 87565265 1 NaC7H9O9 AB7C9D9 -453.03 4.54 -10.44 -0.79 0