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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141213 52839111 1 FO2N4C23H38 AB2C4D23E38 -154.43 4.28 0.0 0.0 0
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141214 52839230 1 FOSN2H17C18 ABCD2E17F18 -11.98 4.96 -9.34 -1.32 0
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141215 52839562 1 FO2N5C19H26 AB2C5D19E26 -87.26 1.94 -8.6 -0.62 0
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141216 52840110 1 SN3O5C17H25 AB3C5D17E25 -146.78 6.4 -9.43 -1.22 0
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141217 52840593 1 SN4O5C22H34 AB4C5D22E34 -230.81 7.15 -9.14 -0.64 0
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141218 52840627 1 SN4O5C20H32 AB4C5D20E32 -235.66 6.59 -9.43 -0.63 0
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141219 52840840 1 O3N5C25H33 A3B5C25D33 -48.71 0.4 -8.63 -1.01 0
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141220 52841206 1 SO2N3C14H17 AB2C3D14E17 -12.02 5.96 -9.08 -0.49 0
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141221 52841207 1 N3O5C16H21 A3B5C16D21 -127.71 4.26 -8.88 -0.18 0
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141222 52841430 1 ClIN3O3H15C16 ABC3D3E15F16 -61.68 7.23 -9.57 -1.59 0
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141223 52842035 1 BrClO2N3C20H23 ABC2D3E20F23 -41.74 2.25 -9.06 -1.31 0
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141224 52842394 1 NO4C18H27 AB4C18D27 -167.63 5.42 -8.99 0.36 0
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141225 52842395 1 NO4C18H27 AB4C18D27 -165.38 5.05 -8.7 0.67 0
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141226 52842472 1 ClN2O4C23H31 AB2C4D23E31 -196.1 3.01 -9.35 -0.38 0
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141227 52842473 1 N2O4C15H26 A2B4C15D26 -195.04 3.76 -9.58 0.67 1
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141228 52842612 1 N3O4C20H36 A3B4C20D36 -168.99 5.62 0.0 0.0 0
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141229 52843149 1 N3O5C21H31 A3B5C21D31 -219.97 4.07 -8.75 -0.03 0
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141230 52843540 1 N2O2F3C19H21 A2B2C3D19E21 -195.99 7.28 -9.45 -0.83 0
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141231 52843570 1 SN2F3O3C19H19 AB2C3D3E19F19 -230.77 7.85 -9.17 -0.5 0
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141232 52843614 1 O2F3N5H16C19 A2B3C5D16E19 -116.51 3.37 -9.69 -1.58 1
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141233 52843783 1 N3O4C24H30 A3B4C24D30 -90.64 0.85 0.0 0.0 0
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141234 52844172 1 ClFN2O2C16H20 ABC2D2E16F20 -142.71 2.37 -9.69 -0.94 0
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141235 52844876 1 SF3O4N5H14C17 AB3C4D5E14F17 -183.51 12.51 -9.61 -1.3 0
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141236 52845036 1 ClN2O3C22H27 AB2C3D22E27 -123.6 6.0 -8.91 -0.46 0
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141237 52845037 1 ClN2O3C22H27 AB2C3D22E27 -126.75 4.62 -9.07 -0.46 0
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141238 52845038 1 ClSN3O3C24H26 ABC3D3E24F26 -76.53 8.66 -8.94 -1.08 0
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141239 52845111 1 SO2N4C18H20 AB2C4D18E20 -31.13 2.19 -8.63 -0.64 0
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141240 52845112 1 SO2N4C18H20 AB2C4D18E20 -31.79 5.09 -8.7 -0.72 0
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141241 52845829 1 OSN6C21H30 ABC6D21E30 62.88 5.6 -9.05 -0.34 0
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141242 52845833 1 O2N4C25H32 A2B4C25D32 -46.84 4.9 -8.52 -0.38 1
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141243 52845834 1 O2N4C25H33 A2B4C25D33 -23.95 7.15 0.0 0.0 0
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141244 52845835 1 O2N4C25H32 A2B4C25D32 -43.17 2.98 -8.44 -0.3 1
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141245 52845836 1 O3N4C26H33 A3B4C26D33 -70.93 15.87 0.0 0.0 0
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141246 52845837 1 O3N4C26H32 A3B4C26D32 -103.47 3.89 -8.81 -0.89 1
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141247 52845906 1 ON4C21H29 AB4C21D29 18.2 5.81 0.0 0.0 0
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141248 52846180 1 SF2N3O3H17C20 AB2C3D3E17F20 -140.75 11.31 -8.97 -0.95 0
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141249 52846709 1 SN4O4C19H26 AB4C4D19E26 -147.29 9.1 -9.29 -0.82 0
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141250 52846887 1 ClFO2N4H16C17 ABC2D4E16F17 -31.43 5.61 -9.2 -1.0 0
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141251 52846888 1 FO2N5H22C23 AB2C5D22E23 -14.32 5.0 -8.95 -0.95 0
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141252 52846889 1 FO2N5H22C23 AB2C5D22E23 -13.53 5.75 -8.96 -0.96 0
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141253 52847446 1 ClN2S2O4C17H19 AB2C2D4E17F19 -131.88 4.84 -9.03 -0.96 0
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141254 52847735 1 S2O3N4C17H22 A2B3C4D17E22 -64.07 4.57 -8.62 -1.22 -1
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141255 52847736 1 S2O3N4C17H21 A2B3C4D17E21 -28.71 7.6 0.0 0.0 1
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141256 52848044 1 N4C22H27 A4B22C27 98.45 5.5 0.0 0.0 0
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141257 52848518 1 O3N4C22H22 A3B4C22D22 -28.63 4.98 -8.86 -0.42 0
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141258 52848519 1 SF2N2O3H16C17 AB2C2D3E16F17 -178.61 4.5 -9.46 -0.85 0
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141259 52848534 1 ClN2O4C18H19 AB2C4D18E19 -131.16 5.05 -9.14 -0.16 1
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141260 52849350 1 O2N4C21H35 A2B4C21D35 -77.58 8.28 0.0 0.0 0
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141261 52849421 1 FN3O3C22H26 AB3C3D22E26 -143.38 10.58 -8.49 -0.29 1
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141262 52849776 1 ON4C18H25 AB4C18D25 63.98 2.53 0.0 0.0 0