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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7242 71679 1 N7C11H23 A7B11C23 36.08 3.3 -9.06 0.28 0
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7243 71683 1 N5O8C25H31 A5B8C25D31 -259.86 7.21 -9.0 -1.83 0
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7244 71688 1 O2N3H9C11 A2B3C9D11 0.77 4.27 -9.01 -1.38 0
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7245 71691 1 NO2C26H50 AB2C26D50 -143.58 3.13 0.0 0.0 1
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7246 71694 1 NO3C16H23 AB3C16D23 -125.68 2.22 -8.56 -0.58 0
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7247 71697 1 ClO3C17H17 AB3C17D17 -104.83 5.56 -9.42 -0.65 0
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7249 71701 1 ClNaSN4O4C23H24 ABCD4E4F23G24 -151.11 7.5 -8.36 -0.37 0
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7250 71704 2 OC5H8 AB5C8 -105.26 6.19 -10.43 0.31 0
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7251 71710 1 N3O4H11C14 A3B4C11D14 7.72 2.94 -9.87 -1.8 0
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7252 71711 1 N11O12C42H65 A11B12C42D65 -601.43 6.51 -9.34 -0.34 0
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7253 71723 1 NO4C21H28 AB4C21D28 -90.63 2.13 0.0 0.0 1
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7254 71724 1 SN3O6C14H21 AB3C6D14E21 -261.45 5.73 -9.8 -0.66 0
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7255 71736 1 Cl2S3N5O5H15C18 A2B3C5D5E15F18 -95.26 8.06 -9.07 -1.39 0
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7256 71738 1 IOC27H45 ABC27D45 -113.05 3.63 -9.22 -0.66 0
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7257 71739 2 NOC9H11 ABC9D11 -47.23 2.09 -8.24 -0.14 0
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7258 71746 1 NO7C31H37 AB7C31D37 -254.83 4.47 -9.78 -1.03 0
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7259 71753 1 O6C23H38 A6B23C38 -308.86 7.11 -10.11 0.08 0
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7260 71757 1 NO13C37H61 AB13C37D61 -543.26 6.31 -8.73 -0.18 0
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7261 71795 2 NOC10H12 ABC10D12 -25.38 4.19 -8.78 -0.77 0
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7262 71796 1 ISN3O4C22H32 ABC3D4E22F32 -148.14 3.96 -8.83 -0.28 0
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7263 71798 1 N2O9C33H40 A2B9C33D40 -304.24 2.38 -7.96 -0.49 0
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7264 71799 1 INNaO3H7C9 ABCD3E7F9 -131.49 6.2 -9.18 -1.18 0
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7265 71800 1 INO3H8C9 ABC3D8E9 -86.26 6.95 -9.94 -1.45 0
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7266 71802 1 ClOSN2C20H25 ABCD2E20F25 -28.81 2.21 -7.66 -0.58 0
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7268 71805 1 ClFS2N3O4H13C14 ABC2D3E4F13G14 -160.97 7.81 -9.87 -1.03 0
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7269 71810 1 NO2C20H38 AB2C20D38 -117.18 1.71 0.0 0.0 1
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7270 71813 1 Cl2O2C5H10 A2B2C5D10 -128.96 1.77 -10.58 0.25 0
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7271 71814 1 FSO2C8H9 ABC2D8E9 -111.79 4.95 -10.57 -0.78 0
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7272 71816 1 OCl2N5C12H15 AB2C5D12E15 27.04 2.07 -9.14 -0.76 0
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7273 71822 1 ClSN2C20H27 ABC2D20E27 -4.73 2.6 -7.82 -0.34 0
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7274 71837 1 ClN2O2C16H23 AB2C2D16E23 -64.02 5.67 -8.62 -0.67 0
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7275 71839 1 Cl3O4C7H11 A3B4C7D11 -204.03 2.43 -10.7 -0.58 0
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7276 71864 1 ClN3S3O4C15H16 AB3C3D4E15F16 -111.8 7.7 -9.54 -0.98 0
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7277 71896 1 NO3C16H23 AB3C16D23 -125.09 3.71 -9.45 -0.86 0
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7278 71900 2 N2O2H4C5 A2B2C4D5 50.36 4.34 -10.5 -2.26 0
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7279 71903 1 ClN2O8C22H25 AB2C8D22E25 -329.66 3.8 -8.75 -1.07 0
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7280 71904 2 NO4C11H12 AB4C11D12 -293.92 6.06 -8.36 -1.06 0
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7281 71912 1 NO5H19C20 AB5C19D20 -143.38 6.2 -8.67 -0.63 0
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7282 71913 1 BrSN2O2C20H27 ABC2D2E20F27 -46.81 9.97 -7.96 -0.17 0
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7283 71914 1 SN2O2C20H27 AB2C2D20E27 -8.15 3.27 0.0 0.0 1
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7284 71923 1 NO3C22H32 AB3C22D32 -102.87 2.93 0.0 0.0 1
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7285 71930 1 O5C41H56 A5B41C56 -222.45 5.45 -9.07 -0.13 0
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7286 71934 1 NO2C20H27 AB2C20D27 -63.13 3.24 -8.88 0.16 0
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7287 71936 1 ClNO5C22H24 ABC5D22E24 -129.68 7.48 -8.14 -0.9 0
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7288 71937 1 NO5C22H24 AB5C22D24 -97.59 8.95 0.0 0.0 1
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7289 71941 2 O2C7H9 A2B7C9 -139.04 8.67 -8.68 -0.95 0
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7290 71946 2 NO3H4C7 AB3C4D7 -45.66 4.44 -9.82 -2.38 0
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7291 71949 1 BrClSN4H18C20 ABCD4E18F20 110.16 6.22 -9.62 -1.47 0
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7292 71991 1 OCl2N3H25C26 AB2C3D25E26 10.73 5.06 -8.46 -0.84 0
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7293 72036 1 FNO2C10H10 ABC2D10E10 -89.22 1.56 -8.9 -0.24 0
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7294 72066 2 NC12H20 AB12C20 -36.25 2.13 -8.38 1.5 0
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7295 72069 1 NPSO2H16C17 ABCD2E16F17 -72.24 6.73 -8.86 -0.99 0
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7296 72072 2 NOC10H15 ABC10D15 -84.15 1.47 -8.69 0.12 0
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7297 72076 1 N2O4C21H24 A2B4C21D24 -145.76 1.99 -9.04 -0.07 0
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7298 72078 1 PO8C21H29 AB8C21D29 -404.6 7.03 -9.71 -1.07 0
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7299 72082 1 BrNO2C20H30 ABC2D20E30 -99.48 13.72 -7.84 -0.25 0
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7300 72083 1 NO2C20H30 AB2C20D30 -65.52 2.41 0.0 0.0 1
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7301 72084 1 NPO2C7H18 ABC2D7E18 -149.83 5.02 -9.19 1.64 0
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7302 72086 1 N4O6H10C11 A4B6C10D11 -78.76 4.55 -9.59 -1.82 0
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7303 72090 1 NO4C27H35 AB4C27D35 -113.44 5.62 -8.4 0.21 0
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7304 72092 1 BrN2O4C29H43 AB2C4D29E43 -179.68 15.32 -7.9 -1.05 0
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7305 72096 1 N2O3C23H46 A2B3C23D46 -201.04 12.89 -9.27 0.04 0
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7306 72098 1 SN3O3H25C26 AB3C3D25E26 -17.48 2.89 -8.41 -0.52 0
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7307 72099 1 FO2H13C15 AB2C13D15 -94.94 3.95 -9.56 -0.73 0
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7308 72101 1 ClO2N3C25H44 AB2C3D25E44 -134.93 9.55 -8.52 -0.03 0
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7309 72103 2 NO3H8C9 AB3C8D9 -208.43 4.41 -9.4 -1.98 0
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7310 72105 2 ON3C5H5 AB3C5D5 83.58 5.12 -9.49 -1.64 0
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7311 72108 1 O2N5C21H25 A2B5C21D25 -16.97 8.31 -9.04 -0.42 0
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7312 72109 1 O5C24H38 A5B24C38 -226.55 3.86 -9.82 0.61 0
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7313 72110 1 SN2C10H16 AB2C10D16 8.07 2.23 -8.94 -0.16 0
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7314 72111 1 N3O11C43H51 A3B11C43D51 -390.13 9.02 -8.1 -1.17 0
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7315 72118 1 ClSN3O3C15H17 ABC3D3E15F17 -65.61 4.58 0.0 0.0 1
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7316 72129 1 OSN3C22H23 ABC3D22E23 47.19 3.4 -8.67 -0.56 0
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7317 72142 1 INSO2C18H24 ABCD2E18F24 -29.95 12.77 -7.66 -0.58 0
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7318 72146 1 NSO3C12H15 ABC3D12E15 -84.64 3.24 -8.46 -0.51 0