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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8441 77692 1 N2O3H8C13 A2B3C8D13 -56.7 8.16 -9.51 -2.28 0
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8442 77697 1 SN2O9C27H28 AB2C9D27E28 -321.98 6.01 -8.75 -1.09 0
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8443 77700 1 ClNPSO3C11H13 ABCDE3F11G13 -131.91 5.56 -9.4 -1.03 0
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8444 77701 1 O5C6H10 A5B6C10 -235.36 0.6 -11.08 0.46 0
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8445 77707 1 N5C10H11 A5B10C11 72.37 2.71 -9.37 -0.17 0
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8446 77708 1 ClNC13H22 ABC13D22 -23.94 3.98 -8.44 -0.06 0
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8447 77713 1 NO2C11H15 AB2C11D15 -78.04 1.99 -8.99 0.2 0
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8448 77727 1 OC6H8 AB6C8 -36.18 3.18 -9.96 0.65 0
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8449 77734 1 SN2O2C5H6 AB2C2D5E6 -29.95 3.45 -10.26 -1.76 0
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8450 77748 2 N2O2H7C8 A2B2C7D8 9.91 6.09 -8.95 -1.9 0
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8451 77750 1 NO2C9H9 AB2C9D9 -28.24 6.3 -9.25 -0.39 0
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8452 77789 1 N2O4H8C11 A2B4C8D11 -44.97 9.42 -9.97 -1.45 0
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8453 77813 1 O3C7H10 A3B7C10 -144.95 6.91 -11.15 -0.12 0
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8454 77846 1 NOH15C19 ABC15D19 51.61 4.52 -8.33 -0.7 0
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8455 77848 2 N3C31H46 A3B31C46 17.52 4.29 -7.03 0.3 0
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8456 77851 1 N3O4H8C11 A3B4C8D11 56.51 8.64 0.0 0.0 1
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8457 77901 1 OSN2C11H12 ABC2D11E12 6.55 1.12 -8.77 -0.59 0
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8458 77924 2 NC6H10 AB6C10 -8.12 0.27 -7.53 0.51 0
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8459 77944 1 ClON2C24H43 ABC2D24E43 -40.51 39.24 -5.82 -3.68 0
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8460 77958 1 SO4C28H54 AB4C28D54 -291.19 0.58 -8.78 0.52 0
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8461 77977 1 PO2C6H7 AB2C6D7 -87.89 3.95 -10.05 -0.35 0
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8462 77978 1 ClO2N5C13H20 AB2C5D13E20 -87.65 8.73 -9.48 -0.33 0
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8463 77981 1 H8C13 A8B13 173.72 1.29 -8.98 -0.58 0
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8464 78012 1 N2C17H38 A2B17C38 -71.39 1.4 -8.91 3.03 0
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8465 78053 1 ClNC8H12 ABC8D12 -17.24 0.75 -8.25 0.5 0
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8466 78056 2 OC6H12 AB6C12 -131.54 1.77 -9.9 1.63 0
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8467 78067 2 OC5H10 AB5C10 -119.34 1.72 -9.79 1.65 0
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8468 78085 1 PC8O9H13 AB8C9D13 -458.89 4.5 -11.29 -0.42 0
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8469 78107 1 PO4C13H29 AB4C13D29 -303.14 3.65 -10.92 0.76 0
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8470 78145 1 O2H3N3C5 A2B3C3D5 -39.33 5.2 -10.66 -1.56 0
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8471 78208 1 NOSC6H7 ABCD6E7 -22.38 3.43 -9.4 -0.42 0
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8472 78212 1 NO2Cl3H6C11 AB2C3D6E11 -26.02 0.92 -9.9 -1.12 0
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8473 78214 1 O3C8H10 A3B8C10 -128.23 0.55 -8.84 0.21 0
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8474 78218 1 Cl2H2O3C8 A2B2C3D8 -89.98 6.32 -10.39 -2.16 0
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8475 78219 1 NH11C12 AB11C12 47.72 1.74 -8.97 -0.38 0
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8476 78232 4 CHO ABC -149.16 4.95 -10.94 -0.65 0
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8477 78234 1 N3C34H49 A3B34C49 10.15 1.52 -7.59 0.84 0
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8478 78239 1 N2O3H20C22 A2B3C20D22 -9.65 5.92 -8.72 -1.06 0
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8479 78244 1 ClNPO3C13H21 ABCD3E13F21 -199.33 1.4 -8.96 0.01 0
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8480 78254 2 H13C18 A13B18 138.54 0.08 -8.76 -0.44 0
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8481 78256 1 NOC14H27 ABC14D27 -76.35 2.58 -8.3 2.39 0
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8482 78257 2 C7H10 A7B10 -18.07 0.58 -8.71 0.67 0
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8483 78258 1 NaO3C6H9 AB3C6D9 -176.38 7.14 -8.91 0.25 0
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8484 78260 2 Cl2N2C3H7 A2B2C3D7 -125.31 4.53 -8.67 -0.44 0
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8485 78295 1 ClO2H7C11 AB2C7D11 -50.81 6.39 -9.46 -1.34 0
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8486 78301 2 NC6H10 AB6C10 10.0 5.53 -11.36 1.28 0
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8487 78316 1 ON2C8H10 AB2C8D10 -19.29 3.82 -9.23 -0.12 0
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8488 78320 1 NC8H17 AB8C17 -38.9 1.49 -8.73 3.2 0
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8489 78326 1 ClON5H24C30 ABC5D24E30 133.41 5.95 -8.38 -1.71 0
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8490 78385 1 SO3C8H8 AB3C8D8 -102.18 7.44 -9.85 -1.51 0