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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50251 12012767 1 PN2O3C20H21 AB2C3D20E21 -105.08 2.12 -9.31 -1.03 0
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50252 12012768 1 SF3O3N4H11C12 AB3C3D4E11F12 -171.77 12.87 -9.75 -1.25 0
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50253 12012769 1 SF3O3N4C7H9 AB3C3D4E7F9 -205.88 11.77 -9.92 -1.37 0
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50254 12012770 1 F3H3N4C6 A3B3C4D6 -59.33 4.52 -10.77 -1.95 0
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50255 12012771 1 F3H3N4C6 A3B3C4D6 -58.17 3.0 -10.79 -2.0 0
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50256 12012772 1 O2F3H3N4C7 A2B3C3D4E7 -135.5 5.37 -11.29 -2.45 0
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50257 12012773 1 H2F3C5N5 A2B3C5D5 -28.32 5.94 -11.21 -2.39 0
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50258 12012774 1 H2F3C5N5 A2B3C5D5 -27.39 6.27 -11.23 -2.4 0
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50259 12012775 1 N2O3C16H16 A2B3C16D16 -40.97 5.74 -8.93 -0.41 0
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50260 12012776 3 NOC5H5 ABC5D5 -30.46 5.33 -9.18 -0.68 0
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50261 12012777 1 N3O3C16H17 A3B3C16D17 -39.28 7.71 -9.08 -0.6 0
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50262 12012778 1 N3O4C16H19 A3B4C16D19 -140.97 5.88 -9.18 -0.19 0
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50263 12012779 1 NO6C13H15 AB6C13D15 -198.99 2.68 -10.41 -0.69 0
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50264 12012780 1 NO6C19H19 AB6C19D19 -174.49 3.12 -9.42 -0.7 0
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50265 12012781 1 NO6C16H21 AB6C16D21 -226.89 2.07 -10.18 -0.61 0
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50266 12012782 1 NO6C18H25 AB6C18D25 -242.92 4.35 -10.16 -0.49 0
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50267 12012783 1 BO2N3C24H36 AB2C3D24E36 -114.71 2.7 -9.22 0.0 0
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50268 12012784 1 BKF3N3C10H12 ABC3D3E10F12 -227.28 12.76 -8.28 0.02 0
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50269 12012785 1 O5C8H14 A5B8C14 -240.55 2.82 -10.6 0.5 0
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50270 12012786 1 O5C15H28 A5B15C28 -294.29 3.38 -10.44 0.7 2
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50272 12012788 1 O5C15H26 A5B15C26 -281.9 2.03 -10.38 0.27 0
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50273 12012789 1 AlClN2O2C30H36 ABC2D2E30F36 -58.46 5.76 -8.25 -0.64 0
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50274 12012790 1 Cl2O3C9H14 A2B3C9D14 -102.8 1.85 -10.2 0.39 0
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50275 12012791 1 Cl2O4C9H16 A2B4C9D16 -202.64 3.5 -9.93 0.02 0
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50276 12012792 1 OSN2Br4H14C17 ABC2D4E14F17 -6.63 3.5 -9.09 -2.58 1
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50277 12012793 1 BrOSN2H14C17 ABCD2E14F17 19.33 5.39 0.0 0.0 0
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50278 12012794 1 OSN2Br4H12C17 ABC2D4E12F17 29.04 4.24 -9.06 -2.74 1
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50279 12012795 1 BrOSN2H12C17 ABCD2E12F17 45.89 2.71 0.0 0.0 0
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50280 12012796 1 OSN2I6H14C17 ABC2D6E14F17 57.66 8.33 -8.63 -2.94 1
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50281 12012797 1 IOSN2H14C17 ABCD2E14F17 66.09 7.12 0.0 0.0 0
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50282 12012798 1 OSN2Br4C12H12 ABC2D4E12F12 -64.75 5.15 -9.45 -1.88 1
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50283 12012799 1 BrOSN2C12H12 ABCD2E12F12 -11.3 3.76 0.0 0.0 0
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50284 12012800 1 OSN2I6C12H12 ABC2D6E12F12 53.17 16.07 -6.96 -4.29 1
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50285 12012801 1 IOSN2C12H12 ABCD2E12F12 2.09 4.0 0.0 0.0 0
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50286 12012802 1 OSN2I4H12C17 ABC2D4E12F17 70.64 8.62 -8.04 -4.29 1
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50287 12012803 1 IOSN2H12C17 ABCD2E12F17 87.52 9.36 0.0 0.0 0
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50288 12012804 1 OSN2Br4H10C12 ABC2D4E10F12 -14.54 14.75 -8.81 -2.17 1
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50289 12012805 1 BrOSN2H10C12 ABCD2E10F12 12.13 2.97 0.0 0.0 0
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50291 12012807 1 IOSN2H10C12 ABCD2E10F12 25.0 2.94 0.0 0.0 0
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50292 12012808 1 OSN2Br4H18C23 ABC2D4E18F23 76.83 11.99 -7.87 -3.26 1
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50293 12012809 1 BrOSN2H18C23 ABCD2E18F23 55.46 3.78 0.0 0.0 0
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50295 12012811 1 IOSN2H18C23 ABCD2E18F23 86.44 6.79 0.0 0.0 0
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50296 12012812 1 OSN2Br4H16C18 ABC2D4E16F18 -11.14 11.48 -8.62 -1.88 1
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50297 12012813 1 BrOSN2H16C18 ABCD2E16F18 22.08 3.87 0.0 0.0 0
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50298 12012814 1 OSN2I6H16C18 ABC2D6E16F18 1.61 11.19 -8.1 -2.99 1
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50299 12012815 1 IOSN2H16C18 ABCD2E16F18 52.78 6.57 0.0 0.0 2
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50300 12012817 1 Cl2H3C5N8 A2B3C5D8 212.52 4.38 0.0 0.0 2
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50301 12012818 1 ClH3C6N9 AB3C6D9 254.42 2.63 0.0 0.0 2
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50302 12012819 1 ClH3C6N9 AB3C6D9 254.83 6.12 0.0 0.0 3
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50303 12012820 1 ClH4C6N9 AB4C6D9 256.71 11.53 -8.34 -3.06 2