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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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334480 127253155 1 ClN3O6C21H22 AB3C6D21E22 -151.42 7.16 -8.85 -0.5 0
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334481 127253156 1 ClN5O5H22C24 AB5C5D22E24 -65.94 5.21 -8.73 -0.77 0
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334482 127253157 1 Cl2N2O7C38H44 A2B2C7D38E44 -126.04 14.81 -5.81 -1.87 0
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334483 127253158 1 N3O5C26H31 A3B5C26D31 -169.26 4.6 -8.23 -0.74 0
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334484 127253159 1 ClN4O5C27H29 AB4C5D27E29 -107.97 7.45 -8.81 -0.94 0
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334485 127253160 1 ClNSO7C20H22 ABCD7E20F22 -254.89 8.29 -8.93 -0.59 0
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334486 127253161 1 ClN3O5C27H28 AB3C5D27E28 -134.37 7.13 -8.88 -0.58 0
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334487 127253162 3 NO2C9H11 AB2C9D11 -166.28 6.12 -8.53 -0.35 0
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334488 127253163 1 N4O4H22C25 A4B4C22D25 -73.2 6.38 -8.72 -1.32 0
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334490 127253165 1 N3O6C22H25 A3B6C22D25 -209.99 7.36 -8.4 -0.66 0
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334491 127253166 1 ClNO5C19H20 ABC5D19E20 -147.49 6.92 -9.02 -0.39 0
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334492 127253167 1 N3O7C32H43 A3B7C32D43 -250.22 4.69 -8.25 -0.53 0
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334493 127253168 1 SN2O4C16H20 AB2C4D16E20 -147.4 7.23 -8.47 -0.97 0
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334495 127253170 2 O2N3C11H13 A2B3C11D13 -55.42 5.31 -8.07 -1.32 0
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334496 127253171 1 N3O6H17C25 A3B6C17D25 -41.39 2.41 -8.43 -1.64 0
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334497 127253172 1 NO6H15C18 AB6C15D18 -194.23 6.84 -8.53 -0.88 0
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334498 127253173 1 N3O4C21H23 A3B4C21D23 -118.38 1.84 -9.1 -0.32 0
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334499 127253174 1 N3O4C26H33 A3B4C26D33 -125.44 3.37 -8.01 -0.12 0
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334500 127253175 1 ClN2O5C28H31 AB2C5D28E31 -149.63 3.69 -8.82 -0.36 0
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334501 127253176 1 O7H26C34 A7B26C34 -176.98 6.8 -8.79 -1.01 0
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334502 127253177 1 NSO2H13C18 ABC2D13E18 -6.36 3.24 -8.85 -1.57 0
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334503 127253178 1 SN2O6C24H28 AB2C6D24E28 -175.63 4.12 -8.87 -0.43 0
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334504 127253179 1 O3N5H17C25 A3B5C17D25 59.21 3.64 -8.86 -1.57 0
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334505 127253180 1 SN2O4H18C24 AB2C4D18E24 -61.51 2.01 -8.93 -1.67 0
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334506 127253181 1 N4O9C26H30 A4B9C26D30 -326.95 4.38 -8.65 -0.91 0
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334507 127253182 1 ON3C21H25 AB3C21D25 2.92 4.98 -8.44 -0.05 0
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334508 127253183 1 ClN2O5H25C26 AB2C5D25E26 -110.78 3.54 -8.25 -0.62 0
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334509 127253184 1 N4O7C39H56 A4B7C39D56 -256.81 6.93 -8.13 -0.42 0
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334510 127253185 1 ClN2O8H25C26 AB2C8D25E26 -262.29 4.3 -8.91 -0.98 0
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334511 127253186 4 NOC7H8 ABC7D8 -75.82 11.62 -7.06 -1.94 0
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334512 127253187 1 N2O8H26C27 A2B8C26D27 -274.03 10.83 -9.17 -0.9 0
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334513 127253188 1 N3O7C23H25 A3B7C23D25 -219.94 4.59 -8.35 -0.5 0
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334514 127253189 1 N3O4C23H25 A3B4C23D25 -108.72 6.35 -9.05 -0.87 0
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334515 127253190 1 N4O5C26H26 A4B5C26D26 -150.28 5.78 -8.43 -0.48 0
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334516 127253191 2 N3O3C16H21 A3B3C16D21 -37.17 1.67 -7.91 -0.89 0
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334517 127253192 1 ClNO8H22C26 ABC8D22E26 -258.71 8.47 -8.83 -1.36 0
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334518 127253193 1 N2O7C21H22 A2B7C21D22 -222.14 4.66 -9.09 -0.66 0
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334519 127253194 1 N5O6C33H43 A5B6C33D43 -164.71 6.9 -8.48 -0.44 0
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334520 127253195 1 O3N5C19H21 A3B5C19D21 -67.54 5.74 -8.96 -1.19 0
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334521 127253196 1 N6O6C33H44 A6B6C33D44 -52.53 6.67 -8.22 -0.57 0
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334522 127253197 2 NO2C11H12 AB2C11D12 -113.23 2.76 -8.33 -0.39 0
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334523 127253198 1 ClSN5O7C36H36 ABC5D7E36F36 -134.56 5.9 -8.18 -1.01 0
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334524 127253199 1 ClN4O5H21C24 AB4C5D21E24 -80.96 5.54 -9.02 -1.43 0
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334525 127253200 1 O3N5C21H23 A3B5C21D23 -61.34 4.52 -9.02 -0.65 0
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334526 127253201 1 ClN3O6C24H24 AB3C6D24E24 -174.1 5.79 -8.88 -0.53 0
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334527 127253202 1 NO8C25H27 AB8C25D27 -254.56 4.32 -8.46 -0.66 0
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334528 127253203 1 SN5O6C36H43 AB5C6D36E43 -149.73 5.81 -8.25 -0.48 0
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334529 127253204 1 ClNF3O9H27C28 ABC3D9E27F28 -467.96 5.26 -8.9 -0.83 0
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334530 127253205 1 N4O5H14C15 A4B5C14D15 -169.97 3.99 -8.81 -0.9 0
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334532 127253207 2 N2O2H9C11 A2B2C9D11 -23.0 4.24 -8.26 -1.28 0
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334533 127253208 1 O8H28C31 A8B28C31 -197.49 4.23 -8.42 -1.32 0
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334534 127253209 1 ClN3O3H18C22 AB3C3D18E22 -64.45 5.9 -8.28 -0.71 0
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334535 127253210 1 N5O5C23H23 A5B5C23D23 -23.08 16.97 -9.52 -1.21 0
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334536 127253211 1 ClSN2O5C32H37 ABC2D5E32F37 -155.58 3.18 -8.67 -0.48 0
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334537 127253212 1 ClN2O6C21H25 AB2C6D21E25 -224.52 0.93 -8.81 -0.36 0
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334538 127253213 1 N2O6C25H34 A2B6C25D34 -224.5 7.16 -8.78 -0.41 0
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334539 127253214 1 N4O5H16C17 A4B5C16D17 -161.9 5.08 -8.87 -0.73 0
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334540 127253215 1 N6O6C35H40 A6B6C35D40 -123.54 4.33 -8.63 -0.57 0
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334541 127253216 1 N3O6H13C19 A3B6C13D19 -176.33 7.83 -8.52 -1.73 0
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334542 127253217 1 O2N3C21H21 A2B3C21D21 -8.43 4.76 -8.31 -0.17 0
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334543 127253218 3 NO2H7C9 AB2C7D9 -57.49 6.17 -8.31 -1.64 0
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334544 127253219 1 N5O8C34H35 A5B8C34D35 -180.36 8.94 -8.9 -1.55 0
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334545 127253220 1 N3O5H17C22 A3B5C17D22 -50.63 1.96 -8.49 -1.54 0
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334546 127253221 1 N3O8C23H27 A3B8C23D27 -233.23 3.87 -8.69 -0.67 0
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334547 127253222 1 O3N4C25H30 A3B4C25D30 58.18 11.97 -8.84 -1.08 0
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334548 127253223 1 N2O5H14C26 A2B5C14D26 -85.34 8.08 -9.03 -1.78 0
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334549 127253224 1 N3O3H19C22 A3B3C19D22 -54.86 4.88 -8.2 -0.63 0
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334550 127253225 1 BrN3O5H16C18 AB3C5D16E18 -127.99 5.19 -9.14 -1.26 0
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334551 127253226 1 O2N3C23H37 A2B3C23D37 -92.75 4.19 -8.31 0.38 0
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334552 127253227 1 N3O4C23H35 A3B4C23D35 -152.56 4.09 -8.3 0.09 0
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334553 127253228 1 ClN2O5C18H19 AB2C5D18E19 -130.22 5.79 -7.76 -1.4 1
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334554 127253229 1 N2O5C18H19 A2B5C18D19 -132.18 10.27 0.0 0.0 0
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334555 127253230 1 N4O5C23H24 A4B5C23D24 -72.09 6.96 -8.36 -1.52 0
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334556 127253231 1 N3O5C27H33 A3B5C27D33 -170.33 6.75 -9.18 -1.19 0
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334557 127253232 1 N4O5C24H24 A4B5C24D24 -153.85 10.27 -8.75 -0.58 0