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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140213 52663023 1 FO3N4C21H27 AB3C4D21E27 -155.7 8.38 -8.64 -0.44 0
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140214 52663413 1 ClSN2O3C20H23 ABC2D3E20F23 -93.87 1.79 -9.67 -0.94 0
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140215 52663414 1 SO3N4C26H36 AB3C4D26E36 -94.01 10.39 -9.22 -0.46 0
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140216 52663532 1 SN2O4C15H22 AB2C4D15E22 -141.38 8.36 -8.91 -0.46 0
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140217 52663928 1 FSO2N3H22C23 ABC2D3E22F23 -61.97 6.01 -8.99 -0.61 0
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140218 52663929 1 FO2N5C25H26 AB2C5D25E26 -46.65 6.9 -9.17 -0.43 1
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140219 52664540 1 OCl2N2C17H23 AB2C2D17E23 -1.25 5.01 0.0 0.0 1
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140220 52664593 1 SN3O3C23H30 AB3C3D23E30 -67.53 9.83 0.0 0.0 0
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140221 52664594 1 SN3O3C23H29 AB3C3D23E29 -83.13 4.9 -8.94 -0.69 1
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140222 52665515 1 ClO3N4C24H30 AB3C4D24E30 -64.56 1.71 0.0 0.0 0
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140223 52665516 1 ClO3N4C24H29 AB3C4D24E29 -70.4 9.01 -8.79 -0.42 1
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140224 52665517 1 ClO3N4C24H30 AB3C4D24E30 -55.11 7.51 0.0 0.0 0
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140225 52665713 1 N3O3C20H29 A3B3C20D29 -116.16 2.75 -8.83 0.18 0
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140226 52666670 1 F3N4O4C21H25 A3B4C4D21E25 -285.29 6.43 -8.79 -0.64 0
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140227 52666671 1 F3N4O5C20H23 A3B4C5D20E23 -306.67 6.49 -8.91 -0.56 0
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140228 52666672 1 NCl2O2C13H15 AB2C2D13E15 -55.9 6.43 -8.91 -0.27 0
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140229 52666673 1 ClNO2C19H20 ABC2D19E20 -28.5 2.08 -8.88 -0.24 0
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140230 52666736 1 BrSN3O4C19H22 ABC3D4E19F22 -151.31 4.55 -9.1 -0.69 0
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140231 52666823 1 FSN3O3H8C14 ABC3D3E8F14 -10.88 4.84 -9.37 -1.7 0
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140232 52666926 1 Cl2O2N3C21H23 A2B2C3D21E23 -56.17 5.24 -8.94 -0.3 1
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140233 52666934 1 BrClFON3C17H19 ABCDE3F17G19 -27.96 4.35 0.0 0.0 0
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140234 52667530 1 FN2O2C23H23 AB2C2D23E23 -63.62 5.38 -8.82 -0.1 0
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140235 52667989 1 ClSN2O4H15C20 ABC2D4E15F20 -61.69 2.15 -9.01 -1.34 0
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140236 52668525 1 BrO2N3C20H20 AB2C3D20E20 -17.01 4.64 -8.87 -0.34 0
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140237 52668588 1 SCl2O3N4C19H22 AB2C3D4E19F22 -75.15 3.44 -8.42 -1.24 0
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140238 52668671 1 SO3N5C19H19 AB3C5D19E19 -28.28 4.88 -8.74 -0.41 0
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140239 52668675 1 O2N7H19C22 A2B7C19D22 82.66 6.75 -8.88 -1.15 0
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140240 52669062 1 ClFSN2O2C17H18 ABCD2E2F17G18 -92.98 6.4 -8.57 -0.92 0
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140241 52669208 1 FSN3O3H20C24 ABC3D3E20F24 -87.7 7.4 -8.98 -1.35 0
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140242 52669590 1 ClNO3H20C21 ABC3D20E21 -65.82 2.82 -8.99 -0.08 0
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140243 52669591 1 ClNO3H20C21 ABC3D20E21 -65.73 2.71 -8.99 -0.09 0
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140244 52669592 1 ClNO3H20C21 ABC3D20E21 -64.72 2.19 -9.01 -0.18 0
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140245 52669593 1 ClNO3H20C21 ABC3D20E21 -58.87 5.53 -8.89 -0.15 0
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140246 52669594 1 ClNO3H20C21 ABC3D20E21 -61.23 1.19 -9.05 -0.28 0
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140247 52669595 1 BrNO2H18C20 ABC2D18E20 -9.74 3.29 -9.4 -0.2 1
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140248 52669647 1 SN4O6C18H29 AB4C6D18E29 -147.06 8.66 0.0 0.0 0
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140249 52669832 1 O2N7C25H33 A2B7C25D33 14.76 5.29 -8.35 -1.46 0
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140250 52670082 1 O3N4C24H38 A3B4C24D38 -150.73 9.42 -9.0 0.15 0
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140251 52670083 1 ClN3O3C23H34 AB3C3D23E34 -143.97 4.31 -8.87 -0.12 0
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140252 52670365 1 BrFN2O2S2H16C17 ABC2D2E2F16G17 -81.13 3.52 -8.54 -1.25 0
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140253 52670366 1 BrFN2O2S2H16C17 ABC2D2E2F16G17 -81.77 4.68 -8.44 -1.43 0
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140254 52670367 1 FSN2O3C20H23 ABC2D3E20F23 -164.88 3.52 -8.57 -0.5 0
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140255 52670368 1 FSN2O3C20H23 ABC2D3E20F23 -165.61 0.65 -8.62 -0.49 0
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140256 52670369 1 ClN3O5C20H24 AB3C5D20E24 -154.27 4.78 -8.62 -0.7 0
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140257 52670370 1 ClN3O3C19H22 AB3C3D19E22 -92.64 8.03 -8.26 -0.53 0
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140258 52670371 1 ClO2N3C22H22 AB2C3D22E22 -34.94 4.09 -8.35 -0.76 0
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140259 52670884 1 S2N3O3C21H21 A2B3C3D21E21 -51.37 6.03 -8.39 -0.63 0
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140260 52670939 1 S2N3O3C23H25 A2B3C3D23E25 -59.67 8.42 -8.71 -0.73 0
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140261 52670991 1 N3O4C25H31 A3B4C25D31 -127.06 5.39 -9.45 -0.35 1
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140262 52671258 1 O2N4C22H25 A2B4C22D25 36.76 30.91 0.0 0.0 0
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140263 52671259 2 ON2C11H12 AB2C11D12 0.89 2.57 -7.85 -0.81 0
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140264 52671612 1 N3O4C20H23 A3B4C20D23 -138.61 8.96 -9.1 -0.32 0
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140265 52671688 1 N2O4C17H18 A2B4C17D18 -119.75 1.18 -8.91 -0.55 0
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140266 52671969 1 SF3O3N5H18C19 AB3C3D5E18F19 -182.34 3.14 -9.5 -1.75 0
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140267 52672200 1 NO3C19H25 AB3C19D25 -89.74 2.44 -8.59 0.24 1
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140268 52672201 1 BrNSO2C14H17 ABCD2E14F17 -16.83 9.45 0.0 0.0 0
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140269 52672202 1 BrNSO2C14H16 ABCD2E14F16 -28.18 1.15 -8.8 -0.54 0
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140270 52672289 1 N3O3C26H31 A3B3C26D31 -45.59 5.59 -8.88 -0.1 0
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140271 52672496 1 SN3O5C21H21 AB3C5D21E21 -109.03 9.85 -8.49 -0.92 -1
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140272 52672497 1 SN4O6H21C22 AB4C6D21E22 -116.17 11.88 0.0 0.0 0
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140273 52672865 1 ON2C21H28 AB2C21D28 -15.73 4.36 -8.84 0.09 0
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140274 52673126 1 BrSN4O4C18H23 ABC4D4E18F23 -99.77 2.09 -8.96 -0.53 0
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140275 52673127 1 SF2N3O3C17H21 AB2C3D3E17F21 -150.16 3.17 -8.85 -0.43 0
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140276 52673480 1 O4N5C24H29 A4B5C24D29 -67.55 3.08 -8.94 -0.56 0
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140277 52673627 1 O3N6C19H22 A3B6C19D22 -33.01 7.62 -9.24 -0.84 0
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140278 52673663 1 BrO2N5C21H24 AB2C5D21E24 -22.25 2.91 -8.14 -0.55 0
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140279 52674150 1 ClFN3O3C22H27 ABC3D3E22F27 -143.85 5.89 -8.85 -0.4 0
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140280 52674577 1 OSN2C20H28 ABC2D20E28 -25.86 1.28 -8.72 -0.38 0
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140281 52674578 1 OSN2C20H28 ABC2D20E28 -24.59 0.79 -8.75 -0.48 2
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140282 52675096 1 ON4C21H38 AB4C21D38 -34.15 4.83 -8.32 0.35 1
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140283 52675283 1 FSN5C19H25 ABC5D19E25 49.02 27.77 0.0 0.0 0
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140284 52675534 1 ClN3O3H14C16 AB3C3D14E16 11.37 6.7 -9.44 -1.65 0
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140285 52675740 1 BrFON2C15H22 ABCD2E15F22 -88.17 4.02 -8.88 -0.59 1
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140286 52676087 1 O3N5C17H30 A3B5C17D30 -103.0 14.49 0.0 0.0 0
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140287 52676088 1 O3N5C17H29 A3B5C17D29 -126.17 1.83 -8.85 -0.24 0
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140288 52676302 1 SO3N4C16H30 AB3C4D16E30 -134.22 5.5 -8.42 0.38 1
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140289 52677320 1 ClSO2N3C19H23 ABC2D3E19F23 -17.61 4.79 0.0 0.0 1
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140290 52677387 1 ClNSF2O2C18H19 ABCD2E2F18G19 -94.47 5.59 0.0 0.0 1
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140291 52677555 1 SN2O5C22H29 AB2C5D22E29 -166.61 7.13 0.0 0.0 0
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140292 52677556 1 SN2O5C22H28 AB2C5D22E28 -179.64 5.94 -8.3 -0.56 0
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140293 52677941 1 SN5C21H27 AB5C21D27 71.81 6.58 -8.55 -0.58 1
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140294 52677946 1 SN5C21H28 AB5C21D28 95.55 6.58 0.0 0.0 1
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140295 52678706 1 ClN2O2C20H24 AB2C2D20E24 -37.29 7.87 0.0 0.0 0
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140296 52678772 1 S2N3O4C19H25 A2B3C4D19E25 -118.46 6.1 -8.83 -1.48 0
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140297 52679038 1 SN5O5C19H21 AB5C5D19E21 -120.44 7.21 -8.73 -1.17 0
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140298 52679039 1 ClSO2N4C21H23 ABC2D4E21F23 -7.62 8.54 -8.55 -0.36 0
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140299 52679040 1 ClSO2N4C21H23 ABC2D4E21F23 -10.13 7.74 -8.56 -0.33 0
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140300 52679041 1 ClFN2H18C19 ABC2D18E19 13.53 2.65 -8.94 -0.9 0
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140301 52679042 1 ClFN2H18C19 ABC2D18E19 11.62 3.24 -8.95 -0.89 0
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140302 52679043 1 FN2O2C17H19 AB2C2D17E19 -16.66 7.39 -9.22 -1.25 0
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140303 52679044 1 FN2O2C17H19 AB2C2D17E19 -17.89 4.29 -9.19 -1.35 1
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140304 52679045 1 OCl3N3H19C20 AB3C3D19E20 16.72 10.65 0.0 0.0 0
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140305 52679046 1 OCl3N3H18C20 AB3C3D18E20 2.37 3.11 -9.07 -1.18 1
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140306 52679047 1 N3O3C15H22 A3B3C15D22 -10.91 8.53 0.0 0.0 0
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140307 52679048 3 NOC5H7 ABC5D7 -39.78 7.41 -9.09 -1.27 1
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140308 52679049 1 O2N4C14H23 A2B4C14D23 -7.62 4.51 0.0 0.0 1
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140309 52679556 1 BrN2O3C23H28 AB2C3D23E28 -66.48 5.64 0.0 0.0 0
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140310 52680746 1 FO2S2N3C22H24 AB2C2D3E22F24 -45.46 0.38 -8.59 -1.04 0
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140311 52680747 1 N2F3O3C19H21 A2B3C3D19E21 -273.23 3.1 -9.31 -0.44 0
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140312 52681057 1 F2O2N4C23H28 A2B2C4D23E28 -141.47 6.96 -8.9 -0.22 1