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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298716 117654360 1 O3N5C22H23 A3B5C22D23 5.37 7.42 -8.67 -0.96 0
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298717 117654363 1 O3C17H18 A3B17C18 -68.59 4.42 -9.18 -0.06 0
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298718 117654415 1 FN2O3C29H29 AB2C3D29E29 -99.19 6.32 -8.62 -0.75 0
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298719 117654445 1 NO6C27H29 AB6C27D29 -160.27 6.65 -8.92 -0.34 0
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298720 117654488 1 CaSO5H22C23 ABC5D22E23 -78.8 2.84 -5.03 -1.42 0
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298721 117654546 1 SO5C27H28 AB5C27D28 -131.4 6.73 -8.63 -0.51 0
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298722 117654551 1 NO6C23H23 AB6C23D23 -134.99 1.78 -9.43 -0.45 0
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298723 117654571 1 ClN3C15H24 AB3C15D24 27.13 5.6 -8.2 0.23 0
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298724 117654604 4 O2C8H9 A2B8C9 -245.55 2.47 -9.14 -0.18 0
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298725 117654687 1 O2C11H18 A2B11C18 -107.57 5.25 -10.06 0.43 0
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298726 117654951 1 O2F3N4H9C14 A2B3C4D9E14 -139.4 8.06 -8.85 -1.23 0
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298727 117654982 1 IOSF4N4H11C20 ABCD4E4F11G20 -85.95 4.65 -9.32 -1.76 0
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298728 117654985 1 N3O5C12H13 A3B5C12D13 -165.96 7.95 -9.17 -1.06 0
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298729 117655004 1 O2F3N3H10C15 A2B3C3D10E15 -146.76 7.07 -9.86 -1.79 0
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298730 117655009 1 FN3O4C26H28 AB3C4D26E28 -176.4 8.25 -8.93 -0.78 0
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298731 117655010 1 SO3N4H24C27 AB3C4D24E27 -25.57 6.01 -8.62 -0.77 0
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298732 117655031 1 F2N3O4H33C34 A2B3C4D33E34 -194.89 4.02 -8.85 -0.77 0
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298733 117655090 1 ON5F6H13C22 AB5C6D13E22 -211.52 2.45 -9.29 -1.72 0
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298734 117655108 1 NO7C12H15 AB7C12D15 -209.96 2.95 -10.44 -1.56 0
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298736 117655201 1 N4O4H24C27 A4B4C24D27 -56.67 5.62 -8.75 -0.76 0
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298738 117655224 1 PO2H24C26 AB2C24D26 35.17 9.92 0.0 0.0 0
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298739 117655238 1 SN2F4O5C20H26 AB2C4D5E20F26 -423.8 11.06 -10.28 -1.1 0
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298740 117655268 1 O4N7H21C24 A4B7C21D24 -2.54 2.07 -9.26 -1.57 0
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298741 117655294 1 N3O3C13H13 A3B3C13D13 -43.28 8.0 -9.99 -1.45 1
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298742 117655338 1 NOC16H34 ABC16D34 -71.26 1.48 0.0 0.0 0