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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
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8491 78388 1 ClNO4C24H52 ABC4D24E52 -122.22 15.05 -11.04 -2.36 0
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8492 78392 1 OCl3H3C7 AB3C3D7 -35.13 4.71 -10.21 -1.29 0
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8493 78403 1 N2C9H16 A2B9C16 5.44 4.55 -8.84 1.5 0
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8494 78420 1 NOH13C14 ABC13D14 2.58 3.37 -9.38 0.12 0
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8495 78423 1 NSO4C16H37 ABC4D16E37 -242.86 2.83 -10.15 -0.83 0
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8496 78431 1 NSO2C12H17 ABC2D12E17 -71.38 7.51 -9.22 -0.44 0
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8497 78449 1 NSO5C14H33 ABC5D14E33 -277.73 5.32 -9.94 -0.43 0
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8498 78491 1 BrO2C6H11 AB2C6D11 -111.67 1.37 -10.56 -0.12 0
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8499 78508 1 NOC6H11 ABC6D11 -39.63 2.89 -8.98 1.16 0
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8500 78510 1 NOH9C11 ABC9D11 24.69 1.14 -9.19 -0.24 0
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8501 78555 1 NOC10H19 ABC10D19 -78.27 4.24 -9.28 1.21 0
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8502 78621 2 OC8H8 AB8C8 -28.2 1.18 -8.84 -2.06 0
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8503 78622 1 ClNSC18H20 ABCD18E20 30.56 2.19 -8.19 -0.42 0
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8504 78630 2 NC6H6 AB6C6 54.99 4.1 -10.11 -0.21 0
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8505 78632 1 NO5H7C8 AB5C7D8 -99.25 6.69 -9.97 -1.39 0
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8506 78639 1 OC13H18 AB13C18 -44.35 2.86 -9.4 0.38 0
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8507 78657 1 SCl2N2H6C7 AB2C2D6E7 20.75 2.65 -9.19 -0.66 0
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8508 78667 1 ClNC20H44 ABC20D44 -96.99 11.36 -8.12 0.39 0
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8509 78741 1 NC8H13 AB8C13 -0.78 3.27 -8.06 1.54 0
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8510 78744 1 N3S3O10H15C20 A3B3C10D15E20 -283.01 6.01 -9.03 -2.12 0
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8511 78746 1 NC12H21 AB12C21 0.91 4.23 -9.97 1.35 0
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8512 78748 1 N2C5H6 A2B5C6 34.19 1.34 -10.03 -0.42 0
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8513 78768 1 SO3N5C38H45 AB3C5D38E45 -8.28 7.94 -8.5 -1.39 0
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8514 78806 1 O2C9H18 A2B9C18 -132.05 2.37 -10.52 1.03 0
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8515 78807 2 OC5H10 AB5C10 -134.36 1.77 -10.52 1.01 0
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8516 78808 1 ClO2C3H3 AB2C3D3 -69.79 1.94 -10.69 -0.91 0
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8517 78845 1 NaSN4O6C20H25 ABC4D6E20F25 -225.41 13.13 -8.15 -0.79 0
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8518 78846 1 SN4O6C20H26 AB4C6D20E26 -159.27 6.34 -7.97 -0.63 0
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8519 78847 1 O2H4N4C5 A2B4C4D5 16.9 3.36 -9.64 -1.09 0
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8520 78849 2 C5H11 A5B11 -51.97 0.08 -10.4 4.04 0
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8521 78850 2 C8H17 A8B17 -78.63 0.01 -9.91 3.94 0
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8522 78861 1 BrSO2C6H13 ABC2D6E13 -113.41 5.58 -8.66 0.35 0
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8523 78868 1 O3C7H8 A3B7C8 -105.99 3.71 -9.65 -0.24 0
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8524 78870 1 BrNO3H6C7 ABC3D6E7 -18.82 6.71 -9.83 -1.4 0
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8525 78877 1 ClNOC9H10 ABCD9E10 -45.89 5.51 -8.78 -0.19 0
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8526 78883 1 SN2O4C12H24 AB2C4D12E24 -163.97 13.9 -9.46 -0.59 0
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8527 78908 1 ClNO2C22H36 ABC2D22E36 -138.74 3.44 -8.61 -0.23 0
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8528 78915 1 ClOC5H11 ABC5D11 -77.46 1.68 -10.48 0.84 0
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8529 78916 1 Cl2O4N5H17C19 A2B4C5D17E19 8.75 7.57 -8.98 -1.74 0
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8530 78917 1 SN2O4H14C20 AB2C4D14E20 -70.0 4.53 -8.38 -1.9 0
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8531 78937 1 N2C3H8 A2B3C8 13.39 2.6 -8.85 1.23 0
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8532 78938 1 SC3O3H8 AB3C3D8 -143.34 3.95 -11.7 0.1 0
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8533 78939 1 O4C13H24 A4B13C24 -217.38 3.29 -10.53 0.74 0
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8534 78941 1 O2C15H28 A2B15C28 -154.29 2.09 -10.5 1.0 0
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8535 78952 1 PO3C24H51 AB3C24D51 -294.08 1.27 -10.28 1.13 0
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8536 78957 1 FN2O2C5H5 AB2C2D5E5 -114.39 5.02 -9.88 -0.91 0
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8537 78959 1 C9H16 A9B16 -31.76 0.03 -10.74 3.74 0
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8538 78962 1 C7H10 A7B10 24.53 0.29 -10.4 2.74 0
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8539 78963 1 NC6H11 AB6C11 2.12 1.96 -8.93 3.08 0
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8540 78964 1 O2C5H8 A2B5C8 -12.57 3.4 -8.99 0.26 0