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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146466 53694805 1 ClS2N6O10C51H59 AB2C6D10E51F59 -312.0 10.95 -8.44 -1.41 0
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146467 53695057 1 N2O4C31H36 A2B4C31D36 -71.99 3.87 -7.62 -0.04 0
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146468 53695129 2 N2O2S3C7H11 A2B2C3D7E11 -73.79 0.5 -9.07 -1.41 0
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146469 53695364 1 S2N6O8C17H18 A2B6C8D17E18 -211.98 9.73 -9.5 -1.18 0
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146470 53695365 1 FN4O6H11C15 AB4C6D11E15 -195.68 2.56 -8.94 -2.11 0
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146471 53695492 4 C7H12 A7B12 -65.29 0.65 -9.06 0.58 0
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146472 53695805 2 ON3C11H11 AB3C11D11 64.7 7.06 -9.42 -0.63 0
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146473 53695861 1 FO4C15H19 AB4C15D19 -214.1 6.06 -10.09 -0.92 0
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146474 53695894 1 PO3C32H65 AB3C32D65 -269.75 2.09 -9.51 0.61 0
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146475 53695895 1 SN2O5H6C10 AB2C5D6E10 -107.15 4.02 -9.54 -1.78 1
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146476 53695896 1 SN2O5H7C10 AB2C5D7E10 -109.97 4.62 0.0 0.0 0
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146477 53696131 1 NO2C8H9 AB2C8D9 -69.67 4.03 -9.18 -0.89 0
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146478 53696212 1 O3C8H12 A3B8C12 -116.65 6.42 -10.23 -0.48 0
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146479 53696393 2 SO2C16H30 AB2C16D30 -289.73 4.1 -8.97 -0.31 0
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146480 53696394 1 O7H14C20 A7B14C20 -238.1 10.23 -10.58 -1.91 0
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146481 53696395 1 SN2O5C16H28 AB2C5D16E28 -212.68 5.91 -8.87 -0.88 0
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146482 53696396 2 NO2C13H20 AB2C13D20 -153.66 3.18 -8.69 -0.15 0
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146483 53696397 1 FSO2N3H6C7 ABC2D3E6F7 -61.35 6.02 -9.43 -0.92 0
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146484 53696398 1 O4N5C31H31 A4B5C31D31 -73.87 5.84 -8.82 -0.48 0
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146485 53696399 1 N5O13C24H49 A5B13C24D49 -439.21 7.78 -8.73 -0.42 0
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146486 53696400 2 O2C6H7 A2B6C7 -4.72 2.61 -8.86 -1.11 0
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146487 53696401 1 N3O4C14H27 A3B4C14D27 -222.45 5.71 -9.69 0.63 0
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146488 53696494 1 NO3C7H13 AB3C7D13 -140.24 5.9 -9.2 0.05 0
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146489 53696823 6 OC2H3 AB2C3 -271.14 4.57 -11.01 -0.52 0
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146490 53697172 1 PO2C13H21 AB2C13D21 -115.42 1.08 -8.93 0.28 0
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146491 53697173 1 Cl2O2N3H5C8 A2B2C3D5E8 37.03 8.44 -9.05 -1.52 0
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146492 53697511 1 N2O5C36H44 A2B5C36D44 -158.47 4.02 -8.62 -0.68 0
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146493 53697512 1 OF5C28H35 AB5C28D35 -266.1 7.01 -9.53 -1.27 0
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146494 53697725 1 FNOC22H28 ABCD22E28 -64.18 5.27 -9.54 -0.14 1
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146495 53697944 1 SN4O9H25C26 AB4C9D25E26 -136.99 5.68 0.0 0.0 0
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146496 53698060 1 NOC9H19 ABC9D19 -64.96 3.0 -8.48 2.26 0
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146497 53698062 1 ClNO3C8H8 ABC3D8E8 -103.95 4.93 -10.11 -1.34 0
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146498 53698459 1 SN2O4C15H18 AB2C4D15E18 -118.35 3.35 -9.35 -1.52 0
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146499 53698549 1 NOS2H11C14 ABC2D11E14 67.44 5.08 -8.48 -1.14 0
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146500 53698913 1 BrNOH10C12 ABCD10E12 20.54 1.15 -9.2 -0.56 0
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146501 53698914 1 ClOSN4C17H19 ABCD4E17F19 19.57 1.99 -8.74 -0.82 0
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146502 53698940 1 FO2N3C20H34 AB2C3D20E34 -122.71 3.75 -8.77 -0.06 0
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146503 53698941 1 OC14H26 AB14C26 -75.64 3.13 -9.24 0.97 0
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146504 53698942 1 ClSO3N4C24H25 ABC3D4E24F25 -76.54 2.61 -9.3 -1.19 0
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146505 53698943 1 N4O7C32H44 A4B7C32D44 -261.89 5.29 -9.02 -0.51 0
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146506 53698944 1 O5N6C20H22 A5B6C20D22 -89.17 4.84 -9.06 -1.23 0
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146507 53698945 1 FON2C29H37 ABC2D29E37 -59.43 2.59 -8.76 -0.88 0
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146508 53699258 1 NO2C25H27 AB2C25D27 -12.65 6.77 -8.4 -0.66 0
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146509 53699272 1 SCl2O2N3H17C23 AB2C2D3E17F23 -10.26 8.46 -8.75 -1.23 0
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146510 53699273 1 NO3C16H17 AB3C16D17 -61.31 6.23 -8.78 -0.35 0
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146511 53699274 1 FO2N3H6C10 AB2C3D6E10 -66.02 4.9 -9.09 -1.22 0
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146512 53699275 1 FOC28H49 ABC28D49 -174.59 2.51 -9.46 1.05 0
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146513 53699544 1 NOC16H21 ABC16D21 -14.69 1.1 -8.7 -0.33 0
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146515 53699666 1 ClSN2O6H9C12 ABC2D6E9F12 -168.61 8.64 -9.29 -1.87 0
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146516 53699799 1 NOF3H8C9 ABC3D8E9 -188.95 4.89 -10.14 -0.9 0