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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41653 8146700 1 N3O3H16C17 A3B3C16D17 12.96 14.78 0.0 0.0 0
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41654 8146706 1 O2N3C19H27 A2B3C19D27 -83.32 1.83 -8.94 0.34 0
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41655 8146708 1 N3O3H15C17 A3B3C15D17 -14.17 8.5 -9.01 -0.94 0
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41656 8146710 1 O2N3C19H27 A2B3C19D27 -80.32 2.43 -8.96 0.23 1
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41657 8146711 1 SO2N3C19H22 AB2C3D19E22 38.18 7.64 0.0 0.0 0
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41658 8146712 1 SO2N3C19H21 AB2C3D19E21 20.09 3.73 -8.57 -0.81 1
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41659 8146713 1 O2N3C21H26 A2B3C21D26 -21.05 1.64 0.0 0.0 0
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41660 8146714 1 O2N3C21H25 A2B3C21D25 -40.83 1.63 -9.09 -0.06 -1
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41661 8146715 1 NSO4H20C23 ABC4D20E23 22.21 3.93 0.0 0.0 1
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41662 8146719 1 O2N3C24H26 A2B3C24D26 2.59 3.24 0.0 0.0 1
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41663 8146721 1 SN3O6C18H20 AB3C6D18E20 -177.57 11.2 0.0 0.0 0
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41664 8146726 1 O2N3C24H25 A2B3C24D25 -18.15 2.75 -9.08 -0.84 0
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41665 8146728 2 N2O2C10H11 A2B2C10D11 -40.08 4.97 -9.28 -1.61 1
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41666 8146733 1 ClO2N3C21H25 AB2C3D21E25 -37.15 3.9 0.0 0.0 0
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41667 8146741 1 N3O3C21H25 A3B3C21D25 -76.78 3.11 -8.99 -0.3 0
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41668 8146742 1 O4H18C21 A4B18C21 -77.66 2.45 -8.72 -0.91 1
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41669 8146747 1 N3O3C25H28 A3B3C25D28 -41.69 4.36 0.0 0.0 0
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41670 8146755 1 BrFSN2O2H14C16 ABCD2E2F14G16 -84.88 2.81 -9.08 -0.7 1
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41671 8146756 1 OSN3C24H32 ABC3D24E32 -16.81 8.02 0.0 0.0 0
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41672 8146757 1 OSN3C24H31 ABC3D24E31 -30.16 3.03 -8.56 -0.8 0
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41673 8146759 1 Cl2O2N3C20H21 A2B2C3D20E21 -54.72 0.47 -9.18 -0.85 0
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41674 8146769 1 O2N3C25H25 A2B3C25D25 -4.36 3.75 -9.13 -0.37 0
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41675 8146771 1 N2O2C21H24 A2B2C21D24 -22.73 6.35 -8.89 -1.03 0
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41676 8146773 1 OSN4C22H28 ABC4D22E28 42.59 5.54 -8.16 -0.36 0
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41677 8146777 1 ClSN4C19H21 ABC4D19E21 87.95 2.56 -8.35 -0.94 0
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41678 8146783 1 ClON3C22H26 ABC3D22E26 -14.38 6.7 -9.38 -0.87 1
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41679 8146784 1 N3O4C23H30 A3B4C23D30 -102.93 5.15 0.0 0.0 0
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41680 8146787 1 SN5C23H23 AB5C23D23 139.96 3.52 -8.35 -0.98 0
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41681 8146792 1 N3O3C24H31 A3B3C24D31 -81.47 9.03 -8.62 -0.42 1
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41682 8146793 1 ON3C23H30 AB3C23D30 5.74 7.81 0.0 0.0 1
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41683 8146798 1 O2N3C26H28 A2B3C26D28 11.36 2.06 0.0 0.0 0
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41684 8146799 1 O2N3C26H27 A2B3C26D27 -6.98 2.24 -8.97 -0.17 0
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41685 8146808 1 ON3C23H29 AB3C23D29 -9.82 6.78 -9.04 -0.65 0
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41686 8146818 1 SN3O3C23H29 AB3C3D23E29 -106.6 5.07 -9.05 -1.34 0
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41687 8146822 1 SN3O3C23H29 AB3C3D23E29 -108.94 7.21 -8.94 -1.21 1
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41688 8146829 1 SO2N3C24H28 AB2C3D24E28 1.95 9.5 0.0 0.0 0
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41689 8146830 1 SO2N3C24H27 AB2C3D24E27 -16.34 5.38 -8.49 -0.98 1
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41690 8146832 1 O2N3C24H28 A2B3C24D28 7.52 7.59 0.0 0.0 0
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41691 8146833 1 O2N3C24H27 A2B3C24D27 -11.07 7.82 -8.99 -0.92 1
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41692 8146834 1 BrSN4C18H20 ABC4D18E20 103.26 3.83 0.0 0.0 1
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41693 8146836 1 O2N3C24H28 A2B3C24D28 8.39 9.07 0.0 0.0 1
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41694 8146838 1 SN4C18H21 AB4C18D21 104.8 4.71 0.0 0.0 0
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41695 8146839 1 SN4C18H20 AB4C18D20 110.53 8.38 -8.25 -1.2 0
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41696 8146841 1 ON4C17H18 AB4C17D18 56.43 1.55 -9.07 -1.06 1
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41697 8146842 1 N3O4H18C20 A3B4C18D20 -24.16 8.14 0.0 0.0 0
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41698 8146845 1 OSN4C20H24 ABC4D20E24 57.82 5.71 -8.15 -0.58 1
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41699 8146851 1 N3O3H22C24 A3B3C22D24 15.52 10.84 0.0 0.0 0
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41700 8146853 1 N2O6C21H26 A2B6C21D26 -253.29 4.89 -9.8 -0.76 1
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41701 8146854 1 OSN4C21H27 ABC4D21E27 65.26 6.31 0.0 0.0 1
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41702 8146886 1 OS2N4C17H21 AB2C4D17E21 74.39 6.61 0.0 0.0 0