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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217577 85088036 1 NaSO2N3C19H20 ABC2D3E19F20 -64.79 9.81 -7.84 -0.61 0
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217578 85088037 1 SO2N3C19H21 AB2C3D19E21 0.22 2.77 -8.53 -0.4 0
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217579 85088038 1 SN3O4C18H23 AB3C4D18E23 -136.09 10.92 -9.49 -0.67 0
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217580 85088039 1 SO2N3H19C21 AB2C3D19E21 -2.71 6.39 -9.15 -1.41 0
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217581 85088040 1 SO2N3C21H25 AB2C3D21E25 -24.02 7.42 -9.09 -0.13 0
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217582 85088041 1 OSN5H19C20 ABC5D19E20 76.94 3.71 -8.07 -0.73 0
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217583 85088050 1 O5H22C23 A5B22C23 -139.5 9.25 -9.31 -1.13 0
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217584 85088056 1 BrOH19C22 ABC19D22 28.7 2.0 -9.01 -0.37 0
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217585 85088060 1 NO4C23H25 AB4C23D25 -109.83 2.86 -8.7 -0.18 0
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217586 85088062 1 ON3C25H29 AB3C25D29 54.17 5.9 -8.54 -0.67 0
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217587 85088063 1 O2N3C22H43 A2B3C22D43 -171.68 3.93 -9.79 0.12 0
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217588 85088064 1 BrNO3C18H22 ABC3D18E22 -96.01 1.27 -9.24 -0.07 0
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217589 85088070 1 N2O7C18H24 A2B7C18D24 -288.77 2.98 -10.07 -1.19 0
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217590 85088072 1 PSO5C18H21 ABC5D18E21 -176.77 9.83 -10.1 -0.44 0
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217591 85088073 1 SO2N6H16C18 AB2C6D16E18 57.66 4.31 -8.9 -1.07 0
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217592 85088074 1 O5C23H24 A5B23C24 -136.82 5.68 -8.47 -0.43 0
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217593 85088077 1 S2O5C18H20 A2B5C18D20 -144.18 2.26 -9.19 -0.94 0
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217594 85088078 1 O2H24C27 A2B24C27 124.46 3.58 -8.65 -1.05 0
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217595 85088079 2 NOC12H16 ABC12D16 -66.0 3.46 -8.0 0.0 0
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217596 85088080 1 SiO3C23H28 AB3C23D28 -134.64 4.13 -9.12 -0.19 0
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217597 85088081 1 SC26H36 AB26C36 2.03 2.12 -8.49 -0.06 0
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217598 85088082 1 ClSN6O6C10H13 ABC6D6E10F13 -159.33 3.71 -9.32 -0.88 0
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217599 85088085 1 BrO3C19H25 AB3C19D25 -122.51 5.47 -9.58 -0.1 0
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217600 85088086 1 N5O5H15C18 A5B5C15D18 46.25 12.66 -9.4 -1.9 0
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217601 85088087 1 O4N7H15C17 A4B7C15D17 127.36 10.0 -9.2 -1.74 0
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217602 85088088 3 FNOC6H6 ABCD6E6 -132.98 4.39 -9.18 -0.82 0
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217603 85088089 1 NO6H19C21 AB6C19D21 -148.55 3.22 -8.93 -0.27 0
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217604 85088091 1 N5O5C17H27 A5B5C17D27 -159.28 2.74 -9.65 -1.57 0
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217605 85088093 1 SN3O3H19C20 AB3C3D19E20 -12.67 6.3 -9.13 -1.06 0
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217606 85088094 1 SN3O3H19C20 AB3C3D19E20 -42.27 5.89 -8.87 -0.95 0
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217607 85088095 1 SO2N5C19H19 AB2C5D19E19 42.56 3.85 -9.04 -1.28 0
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217608 85088096 1 NO4C23H27 AB4C23D27 -110.4 4.95 -8.82 -0.38 0
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217609 85088100 1 NOSiC24H29 ABCD24E29 -15.69 4.53 -7.42 0.21 0
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217610 85088101 1 NO2C25H35 AB2C25D35 -83.81 1.68 -8.61 0.35 0
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217611 85088102 1 NSiO2C23H31 ABC2D23E31 -101.06 4.39 -8.88 0.18 0
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217612 85088103 1 ClN5O5C15H20 AB5C5D15E20 -154.33 13.48 -9.5 -1.86 1
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217613 85088104 5 NOC3H4 ABC3D4 -135.47 2.23 0.0 0.0 0
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217614 85088106 1 BrO3N5C14H16 AB3C5D14E16 -55.57 2.23 -9.22 -0.69 0
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217615 85088107 1 O7H18C21 A7B18C21 -187.26 8.33 -8.94 -1.37 0
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217616 85088108 1 PN2O5C18H27 AB2C5D18E27 -184.95 5.23 -9.57 -1.32 0
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217617 85088109 1 N2O7C18H26 A2B7C18D26 -313.73 3.33 -8.97 -0.06 0
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217618 85088110 1 ON6H18C22 AB6C18D22 180.0 2.11 -8.42 -1.56 0
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217619 85088111 1 SN4O5C16H22 AB4C5D16E22 -118.28 2.89 -8.84 -1.07 0
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217620 85088112 1 N2S2O5C16H18 A2B2C5D16E18 -63.24 6.77 -8.95 -1.74 0
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217621 85088113 1 O3N4C21H26 A3B4C21D26 -89.07 3.26 -8.35 -0.42 0
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217622 85088114 2 O2C12H15 A2B12C15 -130.94 3.21 -9.24 -0.37 0
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217623 85088115 1 N2O5C20H34 A2B5C20D34 -275.5 5.01 -10.21 -0.24 0
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217624 85088116 1 N2O5C20H34 A2B5C20D34 -277.23 6.23 -10.1 -0.15 0
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217625 85088117 2 H11C15 A11B15 106.42 0.7 -8.87 -0.35 0
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217626 85088118 2 ON2C11H16 AB2C11D16 -62.69 2.09 -8.72 0.15 0