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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11991 125708 2 BrNOC5H5 ABCD5E5 -32.12 6.64 -9.29 -1.66 0
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11992 125709 2 SN5O5C27H30 AB5C5D27E30 -324.76 7.99 -8.38 -1.23 0
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11993 125718 1 Br2N3C31H69 A2B3C31D69 -124.78 13.35 -7.59 -0.62 0
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11994 125731 1 PN3O10C49H89 AB3C10D49E89 -557.1 5.2 0.0 0.0 1
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11995 125736 1 O5C20H34 A5B20C34 -247.0 2.0 -9.82 0.53 0
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11996 125746 1 BN2O7C9H13 AB2C7D9E13 -369.59 7.37 -10.18 -0.81 0
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11997 125747 1 OC10H12 AB10C12 0.24 2.4 -9.52 0.16 0
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11998 125748 1 N3O5C12H15 A3B5C12D15 -179.49 4.65 -9.55 -0.77 0
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11999 125749 3 O3H4C6 A3B4C6 -261.73 3.24 -9.03 -1.8 0
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12000 125750 1 NPO10C42H78 ABC10D42E78 -619.88 6.3 -9.81 -0.21 0
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12001 125751 2 NOC4H8 ABC4D8 -48.74 3.42 -9.28 0.1 0
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12002 125781 1 NaSO6H17C19 ABC6D17E19 -246.14 13.47 -9.41 -2.0 0
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12003 125788 1 O3C24H40 A3B24C40 -163.77 2.59 -9.27 0.34 0
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12004 125793 1 O5H10C12 A5B10C12 -150.07 10.47 -9.31 -1.46 0
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12005 125818 1 NSO10C24H47 ABC10D24E47 -477.94 1.46 -9.67 -1.25 0
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12006 125862 1 ON6C20H30 AB6C20D30 24.2 2.71 -8.46 0.33 0
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12007 125863 1 SN4O10C18H22 AB4C10D18E22 -339.49 6.51 -10.2 -1.71 0
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12008 125866 1 NO3C21H35 AB3C21D35 -180.63 7.65 -9.47 0.9 0
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12009 125867 1 N2P3C12O14H21 A2B3C12D14E21 -800.63 7.15 -9.56 -0.69 0
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12010 125868 1 N3O4C6H9 A3B4C6D9 -137.99 2.19 -10.64 -1.15 0
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12011 125869 1 NP2C9O10H21 AB2C9D10E21 -585.51 3.46 -9.66 -0.05 0
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12012 125939 1 N4O8C45H70 A4B8C45D70 -136.97 9.72 -9.26 -1.02 0
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12013 125975 1 CoN8H32C44 AB8C32D44 306.71 59.7 0.0 0.0 0
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12014 125976 2 N4H17C22 A4B17C22 299.33 2.79 -8.04 -1.57 0
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12015 125977 2 BrOC9H17 ABC9D17 -175.38 2.04 -10.42 -0.81 0
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12016 125978 2 O3C12H17 A3B12C17 -286.51 3.12 -8.92 0.22 0
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12017 125980 1 N2O4C15H22 A2B4C15D22 -86.81 5.57 -8.65 0.06 0
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12018 125981 1 NO2C16H17 AB2C16D17 -54.23 8.05 -8.76 -0.15 0
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12019 125993 1 NO10C26H27 AB10C26D27 -373.6 6.98 -9.52 -1.99 0
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12020 125994 1 N4O5H8C11 A4B5C8D11 -15.32 12.69 -8.47 -3.47 0
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12021 126062 1 BrON2C13H17 ABC2D13E17 -35.41 3.71 -9.3 -0.83 0
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12022 126103 1 OSN2C10H16 ABC2D10E16 -13.17 3.07 -9.09 -0.89 0
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12023 126214 1 INO2H6C10 ABC2D6E10 -5.37 3.06 -9.36 -1.88 0
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12024 126267 1 SO3N5C9H13 AB3C5D9E13 -67.96 10.49 -9.31 -1.0 0
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12025 126376 1 O12C27H28 A12B27C28 -437.55 4.82 -9.52 -2.12 0
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12026 126409 1 O7C30H30 A7B30C30 -292.69 5.62 -9.01 -1.11 0
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12027 126411 1 O2C13H18 A2B13C18 -74.34 3.55 -9.4 -0.49 0
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12028 126428 1 PN2O8C17H27 AB2C8D17E27 -312.47 4.57 -9.93 -1.48 0
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12029 126430 1 ClO3N5C10H12 AB3C5D10E12 -69.31 3.42 -9.0 -0.84 0
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12030 126431 1 FN2O2C6H13 AB2C2D6E13 -146.64 5.84 -9.92 0.67 0
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12031 126437 1 ON4H16C18 AB4C16D18 76.41 2.64 -8.86 -1.14 0
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12032 126446 1 O2C7H14 A2B7C14 -105.66 1.61 -9.85 1.53 0
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12033 126447 1 O3N4C19H20 A3B4C19D20 -58.2 8.22 -9.2 -0.88 0
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12034 126452 1 IP2N4O8C11H23 AB2C4D8E11F23 -476.35 6.06 -8.76 -1.08 0
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12035 126490 1 O7H16C20 A7B16C20 -203.83 5.09 -8.91 -0.54 0
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12036 126554 1 O4C21H32 A4B21C32 -203.82 5.81 -9.95 -0.16 0
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12037 126570 1 BrNOC14H20 ABCD14E20 -62.95 7.02 -9.17 -0.01 0
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12038 126936 1 SO3C24H30 AB3C24D30 -83.44 5.38 -8.83 -0.59 0
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12039 127034 1 OSeC28H50 ABC28D50 -131.66 2.77 -8.18 0.4 0
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12040 127055 1 O7H16C19 A7B16C19 -218.65 3.87 -8.77 -1.24 0