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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177505 76195245 1 ClN2O4C19H21 AB2C4D19E21 -90.13 5.88 -8.19 -0.67 0
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177506 76195304 1 BrClN2O4C21H24 ABC2D4E21F24 -95.54 4.86 -8.45 -0.68 0
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177507 76195361 1 O2N3C18H27 A2B3C18D27 -73.47 4.12 -9.23 0.25 0
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177508 76195435 1 N2O3C16H24 A2B3C16D24 -90.2 6.11 -9.05 -0.26 0
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177509 76195436 1 ClN2O2C16H23 AB2C2D16E23 -73.38 4.73 -9.15 -0.27 0
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177510 76195492 1 OSN2C12H18 ABC2D12E18 -8.17 5.69 -9.11 -0.75 0
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177511 76195493 1 ClN2O2C15H21 AB2C2D15E21 -62.33 4.11 -9.25 -0.44 0
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177512 76195619 1 ClN2O2H21C23 AB2C2D21E23 11.7 2.34 -9.17 -0.41 0
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177513 76195620 1 ON2H22C23 AB2C22D23 51.53 6.36 -9.07 -0.31 0
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177514 76195859 1 FN2O2H17C18 AB2C2D17E18 -87.57 1.21 -9.24 -0.63 0
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177515 76196040 1 BrN3O4C26H26 AB3C4D26E26 -58.94 13.36 -8.4 -1.43 0
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177516 76196041 1 BrN2O4C13H17 AB2C4D13E17 -104.21 8.28 -8.42 -1.48 0
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177517 76196160 1 Cl2N3O3H19C20 A2B3C3D19E20 -47.56 4.35 -9.02 -0.98 0
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177518 76196161 1 N2O3C22H26 A2B3C22D26 -35.05 5.4 -8.67 -0.33 0
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177519 76196409 1 CoN2O3H10C13 AB2C3D10E13 46.22 18.2 0.0 0.0 0
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177520 76196410 1 ON2C12H18 AB2C12D18 -9.08 4.62 -9.3 -1.22 2
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177521 76197104 1 ClZnN2O4C18H21 ABC2D4E18F21 -114.6 2.86 -8.52 -1.73 0
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177522 76197105 1 ClSN4H13C15 ABC4D13E15 99.31 1.65 -8.74 -0.92 0
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177523 76197106 1 S2O5N6C12H16 A2B5C6D12E16 14.2 6.9 -9.31 -2.01 5
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177524 76197451 1 Fe2C5H5O5P5F15 A2B5C5D5E5F15 -1461.84 1.63 0.0 0.0 0
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177525 76197524 1 ClN5C9H14 AB5C9D14 21.55 3.82 -8.47 -0.09 2
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177526 76197620 1 CuON3H15C17 ABC3D15E17 143.27 7.33 0.0 0.0 0
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177527 76197621 1 WN2O4C14H18 AB2C4D14E18 -18.45 4.31 -6.92 -0.25 0
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177532 76197888 1 CuNCl2O3C15H31 ABC2D3E15F31 -74.53 7.38 0.0 0.0 1
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177533 76198102 1 KSO6H8C9 ABC6D8E9 -240.3 12.13 0.0 0.0 0
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177534 76198347 1 IOH4C5N5 ABC4D5E5 74.16 6.59 -10.21 -2.42 1
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177535 76198381 1 HNaC2N3O3 ABC2D3E3 -76.39 9.25 0.0 0.0 -2
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177536 76198468 1 PdN2Cl3H7C12 AB2C3D7E12 299.24 5.49 -7.84 -0.96 7
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177538 76199023 1 NSO3H17C19 ABC3D17E19 -55.67 6.93 -8.87 -0.98 0
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177539 76199129 1 O4N5C18H25 A4B5C18D25 -104.26 4.96 -8.76 -0.02 1
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177540 76199178 1 ClN4O4H8C12 AB4C4D8E12 -4.95 3.85 0.0 0.0 0
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177541 76199296 1 ON3C16H17 AB3C16D17 0.03 6.27 -8.78 -0.51 0
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177542 76199300 1 ON3C12H13 AB3C12D13 14.12 9.55 -9.09 -0.7 0
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177543 76199429 1 N4O5C26H32 A4B5C26D32 -135.29 4.25 -9.44 -0.9 0
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177544 76199430 1 FN4O4C28H31 AB4C4D28E31 -140.33 1.77 -9.42 -1.06 0
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177545 76199431 1 N3O5C32H35 A3B5C32D35 -98.25 6.46 -9.11 -1.08 0
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177546 76199432 1 FN4O4C25H31 AB4C4D25E31 -162.13 7.21 -8.84 -0.94 0
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177547 76199433 1 N3O4C27H35 A3B4C27D35 -127.07 3.37 -9.28 -0.63 0
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177548 76199434 1 N3O6C28H33 A3B6C28D33 -176.73 5.21 -9.04 -0.94 0
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177549 76199435 1 O3N4C29H38 A3B4C29D38 -67.26 5.06 -8.69 -1.27 0
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177550 76199436 1 FN3O4C28H34 AB3C4D28E34 -132.36 4.65 -9.45 -0.94 0
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177551 76199437 1 SN3O4C23H29 AB3C4D23E29 -58.36 7.69 -8.94 -1.3 0
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177552 76199438 1 O4N5C32H35 A4B5C32D35 -41.85 3.79 -8.92 -1.13 0
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177553 76199439 1 FSN3O5C29H34 ABC3D5E29F34 -198.97 6.08 -8.88 -0.72 0
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177554 76199440 1 N2S2O7C28H38 A2B2C7D28E38 -241.91 7.44 -9.04 -0.71 0
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177555 76199441 1 SN2O6C31H40 AB2C6D31E40 -177.12 11.02 -9.08 -0.97 0
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177556 76199442 3 NOC8H11 ABC8D11 -94.09 3.42 -9.12 -0.6 0
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177557 76199443 1 FSN2O5C27H33 ABC2D5E27F33 -207.43 6.96 -9.4 -0.83 0
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177558 76199444 1 FN3O4C30H36 AB3C4D30E36 -142.94 3.65 -9.04 -0.94 0
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177559 76199445 1 FSN2O6C29H33 ABC2D6E29F33 -231.95 10.17 -9.17 -1.08 0