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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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