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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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429541 135169590 1 FSO3N4C20H23 ABC3D4E20F23 -108.4 5.24 -8.4 -0.52 0
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429542 135169591 1 FSO2N4C15H15 ABC2D4E15F15 -42.87 3.99 -8.39 -0.49 0
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429543 135169592 1 ON5H31C50 AB5C31D50 246.3 3.46 -8.22 -1.25 0
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429544 135169593 1 OF4N8H14C23 AB4C8D14E23 -28.29 8.88 -9.34 -1.72 0
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429545 135169594 1 F3N3O3H14C16 A3B3C3D14E16 -160.3 3.02 -8.58 -1.49 1
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429546 135169595 1 F3N3O3H15C17 A3B3C3D15E17 -158.46 2.07 0.0 0.0 0
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429547 135169596 1 BrN4H5C7 AB4C5D7 93.47 4.5 -10.16 -1.7 0
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429548 135169597 1 F3N5C20H26 A3B5C20D26 -24.6 2.15 -7.76 -0.49 0
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429549 135169598 1 O2N5H33C56 A2B5C33D56 248.29 3.6 -8.09 -1.33 0
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429550 135169599 1 O2N5H29C50 A2B5C29D50 221.39 2.69 -8.31 -1.33 0
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429551 135169600 1 ClN2O3C10H11 AB2C3D10E11 -70.64 3.69 -8.71 -0.63 0
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429552 135169601 1 ClO2N5H28C50 AB2C5D28E50 204.65 5.85 -8.41 -1.32 0
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429553 135169602 1 IOF3N3H9C15 ABC3D3E9F15 -78.3 3.25 -9.94 -1.76 0
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429554 135169603 1 O2F3N3H16C17 A2B3C3D16E17 -180.44 4.06 -9.2 -1.12 0
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429555 135169604 1 SO3N6C23H26 AB3C6D23E26 -33.17 6.17 -9.32 -1.74 0
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429556 135169605 1 O2N5H29C50 A2B5C29D50 223.26 3.7 -8.14 -1.29 0
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429557 135169606 1 ON5H31C50 AB5C31D50 245.88 3.22 -8.27 -1.24 0
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429558 135169607 1 ClF3N7H23C25 AB3C7D23E25 25.93 2.51 -8.48 -0.84 0
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429559 135169608 1 O2N5H29C50 A2B5C29D50 225.15 4.9 -8.21 -1.36 0
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429560 135169609 1 O2F3N6H15C23 A2B3C6D15E23 -65.48 6.21 -9.01 -1.67 0
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429561 135169610 1 O2N5H25C44 A2B5C25D44 209.28 1.78 -8.55 -1.28 0
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429562 135169611 1 ON5H31C50 AB5C31D50 247.75 2.16 -8.18 -1.24 0
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429563 135169612 1 S2O5C7H10 A2B5C7D10 -189.04 9.52 -10.13 -0.52 0
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429564 135169613 1 O2N5H29C50 A2B5C29D50 225.8 2.06 -8.28 -1.39 0
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429565 135169614 1 ON2F4C13H20 AB2C4D13E20 -239.01 6.6 -8.79 0.12 0
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429566 135169615 1 OF2N2C12H20 AB2C2D12E20 -128.32 2.74 -8.73 0.36 0
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429567 135169616 1 FON2C12H21 ABC2D12E21 -80.27 1.18 -8.48 0.79 0
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429568 135169617 1 BrOF3N8H14C21 ABC3D8E14F21 -4.6 3.94 -8.17 -1.63 0
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429569 135169618 1 O2F3N6H19C24 A2B3C6D19E24 -60.34 2.78 -8.75 -1.5 0
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429570 135169619 1 OF3N10H15C21 AB3C10D15E21 29.39 10.89 -8.88 -1.56 0
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429571 135169620 1 F3N3O3H12C14 A3B3C3D12E14 -199.57 5.82 -9.49 -1.25 0
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429572 135169621 1 O2N3C15H15 A2B3C15D15 -15.14 6.4 -8.77 -0.64 0
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429573 135169622 1 ON5H27C44 AB5C27D44 227.3 2.92 -8.46 -1.37 0
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429574 135169623 1 ClO2F3N7H13C21 AB2C3D7E13F21 -50.15 8.55 -9.55 -1.6 0
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429575 135169624 1 ON4H30C45 AB4C30D45 207.67 1.9 -8.46 -1.28 0
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429576 135169625 1 O2N5H33C56 A2B5C33D56 246.11 3.67 -8.1 -1.47 0
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429577 135169626 4 NC2H3 AB2C3 51.56 0.77 -8.01 0.3 0
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429578 135169627 1 O2N5H29C50 A2B5C29D50 222.88 3.91 -8.24 -1.34 0
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429579 135169628 1 OSF3N10H13C19 ABC3D10E13F19 32.83 10.64 -9.0 -1.54 0
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429580 135169629 1 F3N7H18C22 A3B7C18D22 49.35 7.14 -9.06 -1.36 0
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429581 135169630 1 ClOF3N9H15C24 ABC3D9E15F24 47.22 4.2 -8.92 -1.59 0
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429582 135169631 1 OF3N5H14C21 AB3C5D14E21 -58.2 9.83 -9.24 -1.25 0
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429583 135169632 1 ClO2N7C11H12 AB2C7D11E12 94.65 4.5 -8.6 -1.52 0
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429584 135169633 1 O2N5H29C50 A2B5C29D50 227.13 3.49 -8.14 -1.22 0
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429585 135169634 1 O2N5H29C50 A2B5C29D50 225.98 1.23 -8.18 -1.36 0
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429586 135169635 1 ClOF3N9H17C24 ABC3D9E17F24 0.15 7.19 -8.42 -1.63 0
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429587 135169636 1 O2N3F4H13C16 A2B3C4D13E16 -215.73 3.95 -9.45 -1.41 0
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429588 135169637 1 OSF3N9H18C20 ABC3D9E18F20 -22.5 7.32 -8.83 -1.11 0
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429589 135169638 1 ClON4H9C13 ABC4D9E13 54.21 4.0 -9.69 -1.37 0
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429590 135169639 1 O2N5H33C56 A2B5C33D56 245.53 2.95 -8.26 -1.42 0
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429591 135169640 1 O2F3N4H9C13 A2B3C4D9E13 -158.03 3.31 -9.65 -1.37 0
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429592 135169641 1 O2N3C10H11 A2B3C10D11 35.03 4.53 -9.12 -1.07 0
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429593 135169642 1 SO2N3C9H13 AB2C3D9E13 -16.61 3.2 -8.45 -0.26 0
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429594 135169643 1 OF3N10H15C22 AB3C10D15E22 42.62 9.47 -9.11 -1.69 0
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429595 135169644 1 ClOF3N8H16C22 ABC3D8E16F22 -20.47 6.79 -9.17 -1.19 0
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429596 135169645 1 Cl2N2O3C9H10 A2B2C3D9E10 -94.46 1.23 -8.7 -0.62 0
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429597 135169646 1 OC16H20 AB16C20 -10.69 1.06 -8.98 0.71 0
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429598 135169647 1 NPO9C14H26 ABC9D14E26 -496.78 5.18 -10.12 0.58 0
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429599 135169648 1 ClN2C11H13 AB2C11D13 40.54 3.41 -8.92 -0.42 0
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429600 135169649 1 ClOSF3N9H13C18 ABCD3E9F13G18 -9.01 9.08 -8.98 -1.29 0
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429601 135169650 1 ClOSF3N9H13C18 ABCD3E9F13G18 -7.59 7.45 -9.02 -1.36 0
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429602 135169651 1 O3N4C14H16 A3B4C14D16 -54.8 5.93 -9.56 -1.35 0
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429603 135169652 1 O2F3N9H14C22 A2B3C9D14E22 -18.6 4.43 -8.65 -1.42 0
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429604 135169653 1 ClF3N7H19C23 AB3C7D19E23 7.81 7.86 -9.06 -1.6 0
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429605 135169654 1 ClOF3N8H16C22 ABC3D8E16F22 -21.74 7.08 -9.17 -1.65 0
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429606 135169655 1 ClN5C8H12 AB5C8D12 53.38 3.45 -8.25 -0.28 0
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429607 135169656 1 SO2F3N3C16H18 AB2C3D3E16F18 -180.85 2.82 -8.43 -0.65 0
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429608 135169657 1 ClOF3N9H13C19 ABC3D9E13F19 0.87 6.78 -9.06 -1.6 0
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429609 135169658 1 ClOF3N8H22C25 ABC3D8E22F25 -34.47 6.89 -8.97 -1.3 0
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429610 135169659 1 ClF3O3N7H17C24 AB3C3D7E17F24 -98.6 6.05 -9.27 -1.62 0
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429611 135169660 1 OF3N9H18C25 AB3C9D18E25 19.87 5.95 -8.94 -1.59 0
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429612 135169661 1 O2N3F4H13C16 A2B3C4D13E16 -211.16 3.67 -8.75 -0.7 0
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429613 135169662 1 F3N3O4H10C15 A3B3C4D10E15 -180.42 5.77 -9.66 -1.94 0
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429614 135169663 1 O2F3N8H17C24 A2B3C8D17E24 -3.65 4.68 -8.43 -1.29 0
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429615 135169664 1 OF3N9H16C23 AB3C9D16E23 14.73 10.53 -8.57 -1.38 0