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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150583 53790276 1 ClN3C23H26 AB3C23D26 55.34 2.76 -8.19 -0.34 0
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150584 53790277 1 O4C15H28 A4B15C28 -250.77 2.25 -10.97 0.48 0
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150585 53790278 1 PSN3C5H16 ABC3D5E16 -47.9 3.46 -8.79 0.17 0
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150586 53790279 1 C29H50 A29B50 -46.66 0.28 -9.75 3.19 1
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150587 53790280 1 N3O4C17H22 A3B4C17D22 -160.51 3.48 0.0 0.0 0
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150588 53790281 1 ClN3O6C31H40 AB3C6D31E40 -210.86 4.25 -8.5 -0.68 0
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150589 53790282 1 O5C11H20 A5B11C20 -250.01 1.81 -10.12 1.34 0
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150590 53790283 1 O5C11H20 A5B11C20 -249.69 1.48 -10.04 1.13 0
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150591 53790284 1 O5C11H20 A5B11C20 -250.2 1.67 -10.12 1.31 0
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150592 53790285 1 O5C11H20 A5B11C20 -250.21 1.76 -10.11 1.31 0
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150593 53790286 2 NOC5H5 ABC5D5 -33.47 4.75 -9.1 -0.72 0
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150594 53790287 1 N3O4C35H51 A3B4C35D51 -179.04 2.12 -7.88 -0.14 0
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150595 53790288 1 SiC6H6 AB6C6 151.27 2.0 -7.86 -1.43 0
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150596 53790289 1 SN2C8H14 AB2C8D14 20.83 2.31 -8.38 -0.1 0
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150597 53790290 1 O3N6C29H30 A3B6C29D30 -2.57 6.01 -8.79 -0.88 0
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150598 53790291 1 ON3C19H27 AB3C19D27 -27.59 5.43 -8.41 0.32 0
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150599 53790292 1 ClOF4H17C22 ABC4D17E22 -191.64 1.85 -9.1 -0.53 0
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150600 53790293 1 ON3C20H33 AB3C20D33 -27.15 1.76 -8.66 0.66 0
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150601 53790294 1 Cl4S5N10O40C213H314 A4B5C10D40E213F314 -1952.32 15.74 -9.03 -1.52 0
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150602 53790295 1 SN2O8C41H62 AB2C8D41E62 -381.78 7.64 -9.35 -1.15 0
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150603 53790296 1 ClSN2O8C41H61 ABC2D8E41F61 -386.46 8.36 -9.09 -1.18 0
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150604 53790297 1 ClSN2O8C42H63 ABC2D8E42F63 -382.95 6.18 -9.69 -1.34 0
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150605 53790298 1 ClSN2O8C43H63 ABC2D8E43F63 -386.66 8.8 -9.33 -1.26 0
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150606 53790299 1 ClSN2O8C46H65 ABC2D8E46F65 -391.95 6.27 -9.39 -1.2 0
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150607 53790300 1 NO2C12H13 AB2C12D13 -64.7 2.35 -8.59 -0.26 0
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150608 53790301 1 NCl2O2H9C10 AB2C2D9E10 -59.05 3.4 -10.18 -1.48 0
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150609 53790302 1 NI2O3H13C15 AB2C3D13E15 -31.98 4.11 -8.72 -2.55 0
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150610 53790303 1 SN3C5H9 AB3C5D9 85.15 4.38 -8.86 -0.92 0
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150611 53790304 1 S2O7N9H21C24 A2B7C9D21E24 -95.94 7.67 -8.81 -2.04 0
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150612 53790305 2 OSN2C10H12 ABC2D10E12 -4.11 3.0 -8.75 -0.92 0
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150613 53790306 1 O3N4H16C19 A3B4C16D19 42.76 5.86 -9.41 -1.66 0
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150614 53790307 1 O13C30H40 A13B30C40 -555.32 5.92 -9.06 -0.27 0
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150615 53790308 1 ClN2O3H17C20 AB2C3D17E20 -27.64 4.72 -8.09 -0.87 0
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150616 53790309 1 S3O6N9H17C19 A3B6C9D17E19 24.34 5.97 -9.29 -1.3 0
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150617 53790310 1 NO4C21H37 AB4C21D37 -208.08 6.78 -9.19 0.63 0
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150618 53790311 1 NO4C21H37 AB4C21D37 -209.48 5.72 -8.66 0.72 0
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150619 53790312 1 NO4C21H37 AB4C21D37 -201.14 2.97 -9.17 0.47 0
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150620 53790313 2 O3C13H21 A3B13C21 -242.26 5.28 -9.98 0.63 0
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150621 53790314 1 OCl2N2H6C10 AB2C2D6E10 4.58 4.61 -10.2 -1.92 0
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150622 53790315 2 C8H17 A8B17 -89.12 0.08 -10.57 4.05 0
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150623 53790316 1 OSC15H22 ABC15D22 -33.23 1.96 -8.88 -0.44 0
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150624 53790317 1 SiC6H11 AB6C11 23.04 1.27 0.0 0.0 0
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150625 53790318 1 C25H26 A25B26 51.24 0.39 -9.09 0.26 0
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150626 53790319 1 NO2C14H17 AB2C14D17 -46.65 3.69 -8.82 -0.36 0
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150627 53790320 1 O2N3C6H11 A2B3C6D11 -90.47 2.48 -9.77 0.34 0
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150628 53790321 1 ClO6C34H51 AB6C34D51 -296.5 4.51 -8.62 -0.88 0
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150629 53790322 1 ClN2O4C24H29 AB2C4D24E29 -157.61 3.62 -8.75 -0.39 0
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150630 53790323 1 SN5O5C24H29 AB5C5D24E29 -101.81 8.68 -9.06 -1.26 0
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150631 53790324 1 N2O2C17H28 A2B2C17D28 -108.03 3.0 -8.16 0.26 0
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150632 53790325 1 S2N5O7C32H45 A2B5C7D32E45 -323.69 8.41 -9.19 -0.06 0