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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193539 78404611 1 F3O3N4C22H29 A3B3C4D22E29 -239.18 6.59 -8.27 0.2 0
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193540 78404612 1 O4N5C23H27 A4B5C23D27 -26.75 4.24 -8.58 -0.88 0
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193541 78404613 1 O3N6C23H28 A3B6C23D28 8.58 2.95 -8.6 -0.8 0
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193542 78404907 1 N3O4H21C22 A3B4C21D22 -33.37 12.38 -8.25 -1.93 0
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193543 78405214 1 BrS2N3C12H14 AB2C3D12E14 55.53 6.73 -8.77 -1.02 0
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193544 78405488 1 N4O4C21H26 A4B4C21D26 -64.57 7.15 -8.42 -0.15 0
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193545 78405489 1 ClN3H10C11 AB3C10D11 81.48 1.8 -9.2 -0.89 0
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193546 78405490 1 SN3C12H21 AB3C12D21 -8.8 7.71 -8.61 -0.21 1
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193547 78405535 1 O2N4C20H31 A2B4C20D31 -63.83 16.0 0.0 0.0 0
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193548 78405536 2 ON2C10H15 AB2C10D15 -52.07 3.01 -8.74 -1.88 0
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193549 78405537 1 ON7C8H19 AB7C8D19 37.69 8.72 -8.05 -0.27 0
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193550 78405654 1 SO2N4C16H18 AB2C4D16E18 21.31 5.26 -8.76 -1.97 0
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193551 78405935 1 SO2N3C13H13 AB2C3D13E13 -11.56 7.42 -8.83 -0.74 0
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193552 78405936 1 SCl2N3O3H17C20 AB2C3D3E17F20 -62.82 8.52 -8.94 -1.4 0
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193553 78406305 1 NO6C34H37 AB6C34D37 -187.11 11.72 -8.5 -1.84 1
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193554 78406306 1 O3N6C17H19 A3B6C17D19 26.42 5.92 0.0 0.0 0
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193555 78406307 1 ClSF3N3C15H15 ABC3D3E15F15 -127.56 8.39 -8.84 -1.32 0
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193556 78406308 1 Cl3N3O3H16C18 A3B3C3D16E18 -83.15 8.7 -9.46 -1.06 0
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193557 78406327 1 SN3C11H13 AB3C11D13 73.25 3.62 -8.7 -0.78 0
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193558 78406424 1 ION3H10C11 ABC3D10E11 35.93 5.64 -9.82 -2.06 0
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193559 78406425 1 ClO2N3H8C10 AB2C3D8E10 -22.46 3.95 -9.35 -1.91 0
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193560 78406479 1 S2N12O16C45H74 A2B12C16D45E74 -788.99 11.91 -8.96 -0.3 0
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193561 78406542 1 PN3O6C7H16 AB3C6D7E16 -311.81 7.96 -9.91 0.68 0
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193562 78406543 1 N5O6C12H15 A5B6C12D15 -152.45 6.0 -9.14 -2.22 0
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193563 78406653 1 SO2N4C15H16 AB2C4D15E16 18.47 6.28 -9.34 -1.33 0
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193564 78406800 1 S2N3O4C10H13 A2B3C4D10E13 -140.47 1.19 -9.2 -0.55 0
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193565 78407084 1 O3N5C27H33 A3B5C27D33 -91.12 4.84 -8.57 0.15 1
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193566 78407778 1 OSN5C15H18 ABC5D15E18 18.55 4.27 0.0 0.0 2
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193569 78407976 1 PRuF3N5H80C86 ABC3D5E80F86 362.05 9.49 0.0 0.0 0
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193570 78408509 1 ON7C18H19 AB7C18D19 125.96 7.51 -8.17 -0.65 0
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193571 78408528 1 N6O6C19H20 A6B6C19D20 -107.23 4.14 -9.1 -2.01 0
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193572 78408536 1 ClO2N4C11H15 AB2C4D11E15 -31.24 5.7 -8.98 -0.9 0
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193573 78408537 1 ClO2N4C11H15 AB2C4D11E15 -32.08 7.49 -8.84 -0.74 0
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193574 78408538 1 ClO2N4C11H15 AB2C4D11E15 -34.58 3.49 -9.0 -0.91 0
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193575 78408539 1 ClO2N4C12H17 AB2C4D12E17 -44.4 7.3 -8.92 -0.8 0
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193576 78408540 1 ClO2N4C16H25 AB2C4D16E25 -53.82 3.98 -9.07 -0.89 0
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193577 78408541 1 ClO2N4C14H19 AB2C4D14E19 -39.57 6.58 -8.95 -0.87 0
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193578 78408542 1 ClO2N4C13H19 AB2C4D13E19 -49.92 4.75 -8.91 -0.82 0
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193579 78408543 1 O3N5C13H19 A3B5C13D19 -55.93 6.8 -8.48 -0.74 0
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193580 78408544 1 O3N5C13H19 A3B5C13D19 -81.67 6.89 -9.06 -1.01 0
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193581 78408545 1 O3N5C14H21 A3B5C14D21 -61.68 3.17 -8.46 -0.55 0
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193582 78408546 1 ClO2N4C11H15 AB2C4D11E15 -30.84 7.33 -8.94 -0.8 0
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193583 78408547 1 ClN4O4C10H11 AB4C4D10E11 -85.95 2.29 -9.44 -1.39 0
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193584 78408548 1 ClON5C8H10 ABC5D8E10 24.09 7.96 -8.93 -0.8 0
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193585 78408549 1 O2N3H9C11 A2B3C9D11 38.13 9.55 -10.0 -1.6 0
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193586 78408550 1 OSN5C17H19 ABC5D17E19 56.06 2.84 -8.86 -1.16 0
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193587 78408551 1 OSN5C15H15 ABC5D15E15 81.54 4.04 -8.75 -1.18 0
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193588 78408552 1 OSN5H17C19 ABC5D17E19 98.25 4.19 -8.89 -1.29 0
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193589 78409765 1 NO6C20H27 AB6C20D27 -196.25 17.39 -8.8 -1.1 0
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193590 78409792 2 NC9H10 AB9C10 96.5 3.59 -7.21 0.23 0