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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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321520 126666512 1 S3N18O31C82H113 A3B18C31D82E113 -1224.97 12.99 0.0 0.0 0
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321521 126666513 1 OF2N2C11H16 AB2C2D11E16 -122.84 2.73 -9.15 -0.11 0
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321522 126666514 1 SP3C9O13H19 AB3C9D13E19 -784.13 3.94 -9.5 -0.45 0
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321523 126666516 1 SF4O4N7H23C24 AB4C4D7E23F24 -241.77 13.56 -8.1 -1.97 0
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321524 126666518 1 F2O2N6H18C19 A2B2C6D18E19 -57.13 6.75 -8.92 -1.26 0
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321525 126666521 1 O4N5H31C32 A4B5C31D32 -10.87 14.89 -8.16 -1.82 0
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321526 126666522 1 O2N5H29C31 A2B5C29D31 74.38 9.48 -8.08 -1.72 0
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321527 126666525 1 SO10C30H30 AB10C30D30 -234.06 3.27 -8.14 -1.29 0
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321528 126666528 1 ClON6C20H21 ABC6D20E21 63.28 4.59 -9.21 -0.94 0
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321529 126666530 1 ClO2N5C20H20 AB2C5D20E20 22.61 4.72 -9.24 -0.91 0
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321530 126666536 1 ON6C21H24 AB6C21D24 83.83 1.33 -9.25 -0.86 0
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321531 126666537 1 FO2N4H13C15 AB2C4D13E15 11.18 3.53 -9.62 -1.67 0
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321532 126666538 1 O2N3C16H21 A2B3C16D21 -49.39 1.99 -8.28 -0.66 0
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321533 126666539 1 O2F3N5H20C21 A2B3C5D20E21 -130.2 3.76 -9.39 -1.24 0
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321534 126666540 1 F3N6H9C14 A3B6C9D14 -10.45 4.76 -9.78 -1.44 0
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321535 126666541 1 F3N6H9C14 A3B6C9D14 -24.56 4.37 -9.44 -1.37 0
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321536 126666542 1 BrO2N4C21H21 AB2C4D21E21 32.28 3.82 -9.22 -0.87 0
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321537 126666543 1 N5C15H17 A5B15C17 83.77 6.22 -8.81 -1.12 0
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321538 126666544 1 ClON3C16H16 ABC3D16E16 7.28 3.83 -9.3 -0.97 0
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321539 126666546 1 ON6H20C22 AB6C20D22 89.79 4.9 -9.43 -1.25 0
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321540 126666548 1 ClON6C20H21 ABC6D20E21 57.95 5.29 -9.07 -0.76 0
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321541 126666549 1 O2N5H21C22 A2B5C21D22 54.93 6.09 -9.33 -1.15 0
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321542 126666551 1 ClFN6H18C19 ABC6D18E19 59.31 3.64 -9.49 -1.16 0
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321543 126666556 1 ClON5C22H22 ABC5D22E22 32.6 3.11 -9.18 -0.85 0
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321544 126666559 1 FNO2C6H10 ABC2D6E10 -156.41 4.59 -10.36 0.75 -1
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321545 126666561 1 SN2O2C6H15 AB2C2D6E15 -69.9 3.73 0.0 0.0 0
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321546 126666563 1 ClON4H17C18 ABC4D17E18 34.99 3.68 -9.32 -1.01 0
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321547 126666565 1 SO8C24H26 AB8C24D26 -256.4 1.87 -8.59 -0.73 0
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321548 126666568 1 FN4C15H15 AB4C15D15 20.62 3.74 -8.76 -1.1 0
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321549 126666569 1 O3N5C24H25 A3B5C24D25 -26.99 7.78 -8.7 -1.19 0
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321550 126666571 1 ON4C16H18 AB4C16D18 24.75 5.19 -8.73 -1.31 0
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321551 126666584 1 ClFN3C15H17 ABC3D15E17 -26.82 4.85 -8.51 -0.9 0
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321552 126666585 2 NO2C4H4 AB2C4D4 -133.13 6.21 -10.68 -1.33 0
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321553 126666587 1 OSN5C19H19 ABC5D19E19 60.71 2.92 -9.26 -0.86 0
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321554 126666590 1 ClO2N5C21H22 AB2C5D21E22 17.89 1.82 -8.73 -1.06 0
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321555 126666592 1 F3N5H10C15 A3B5C10D15 -32.16 4.72 -9.66 -1.27 0
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321556 126666601 1 N6H14C17 A6B14C17 147.24 3.4 -9.16 -1.31 0
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321557 126666604 1 N2F3O3H5C10 A2B3C3D5E10 -163.21 9.53 -10.25 -1.94 0
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321558 126666605 1 FO2N4C24H25 AB2C4D24E25 -51.91 4.28 -9.19 -0.85 0
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321559 126666612 2 N3H6C7 A3B6C7 128.32 2.27 -9.23 -1.03 0
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321560 126666614 1 O2N5H23C24 A2B5C23D24 36.63 4.3 -9.29 -1.27 0
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321561 126666615 1 ON2F3H3C6 AB2C3D3E6 -104.71 2.99 -11.62 -1.28 0
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321562 126666616 2 FON2H7C8 ABC2D7E8 -50.04 5.37 -9.65 -1.78 0
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321563 126666617 1 F3N3O3C16H16 A3B3C3D16E16 -178.44 3.02 -9.74 -1.71 0
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321564 126666618 1 O2N5H19C21 A2B5C19D21 75.13 3.76 -9.47 -1.35 0
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321565 126666619 1 O2N3C24H25 A2B3C24D25 4.38 5.92 -8.87 -0.53 0
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321566 126666620 1 O2N5H19C21 A2B5C19D21 65.13 1.53 -9.52 -1.38 0
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321567 126666621 2 FN2C8H8 AB2C8D8 -41.3 5.05 -8.69 -1.18 0
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321568 126666622 1 O2N3C24H25 A2B3C24D25 -1.98 6.62 -8.91 -0.55 0
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321569 126666623 1 NO3C15H23 AB3C15D23 -117.0 5.9 -8.6 0.29 0
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321570 126666625 1 FOSN6H17C20 ABCD6E17F20 63.47 3.12 -9.3 -1.07 0
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321571 126666626 2 N3H6C8 A3B6C8 142.75 5.98 -9.51 -1.39 0
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321572 126666627 1 ClFN3C14H15 ABC3D14E15 -20.47 2.52 -8.57 -0.8 0
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321573 126666628 1 ClFN3C14H15 ABC3D14E15 -21.44 4.27 -8.6 -0.96 0
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321574 126666631 1 FO2N4H17C19 AB2C4D17E19 3.61 2.79 -9.31 -1.01 0
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321575 126666632 1 SF4O5N6C41H46 AB4C5D6E41F46 -323.23 7.05 -8.17 -0.46 0
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321576 126666634 1 O3C10H18 A3B10C18 -166.74 1.45 -9.92 0.77 0
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321577 126666635 1 OSN5C19H19 ABC5D19E19 61.22 2.55 -9.32 -0.92 0
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321578 126666636 1 SF4O5N7C26H27 AB4C5D7E26F27 -258.39 13.02 -8.15 -2.18 0
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321579 126666638 1 SF4O5N7C26H27 AB4C5D7E26F27 -251.86 12.73 -8.58 -2.26 0
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321580 126666639 1 SF4O4N6H24C25 AB4C4D6E24F25 -281.04 5.0 -8.73 -0.93 0
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321581 126666640 1 F2N4H12C13 A2B4C12D13 -30.27 5.22 -9.01 -1.45 0
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321582 126666641 1 O3N5C21H23 A3B5C21D23 -8.28 6.46 -8.68 -0.66 0
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321583 126666643 1 SF2O4N6C25H26 AB2C4D6E25F26 -107.52 18.9 -8.24 -2.13 0
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321584 126666645 1 FON5H20C23 ABC5D20E23 50.25 2.51 -8.72 -1.19 0
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321585 126666646 1 F3N5H10C15 A3B5C10D15 -14.92 4.23 -9.48 -1.46 0
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321586 126666647 1 F3N5H10C15 A3B5C10D15 -37.8 9.38 -9.28 -1.44 0
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321587 126666648 1 F3N5H10C15 A3B5C10D15 -25.82 7.03 -9.19 -1.42 0
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321588 126666649 1 FN6H19C22 AB6C19D22 82.72 5.08 -9.41 -1.3 0
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321589 126666651 1 FN6H19C22 AB6C19D22 74.03 4.73 -9.44 -1.31 0
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321590 126666652 1 BrFON4H16C19 ABCD4E16F19 33.02 3.65 -9.24 -0.9 0
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321591 126666653 1 FN3H14C15 AB3C14D15 12.57 6.95 -9.11 -0.63 0
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321592 126666654 1 FN3H14C15 AB3C14D15 6.21 3.54 -9.02 -0.71 0
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321593 126666655 1 BrON3C15H18 ABC3D15E18 -5.27 3.22 -8.62 -1.01 0
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321594 126666657 1 ClON6C20H21 ABC6D20E21 59.24 2.17 -9.3 -1.04 0