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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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224980 85735284 1 NS2O4C34H49 AB2C4D34E49 -138.22 8.41 -9.47 -2.01 0
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224981 85735285 2 NOC15H15 ABC15D15 24.46 2.02 -9.09 0.14 0
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224982 85735289 1 FOSH11C14 ABCD11E14 -38.74 0.8 -9.02 -0.43 0
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224983 85735346 2 O2H6C9 A2B6C9 -89.58 1.91 -8.23 -0.92 0
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224985 85735349 2 OC7H8 AB7C8 -67.55 4.66 -9.16 0.29 0
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224986 85735350 2 NO3C12H14 AB3C12D14 -121.73 1.58 -9.63 -0.09 0
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224987 85735355 1 NO5C14H17 AB5C14D17 -148.0 2.93 -9.82 -0.47 0
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224988 85735359 1 N2C7H8 A2B7C8 165.0 4.67 -8.91 -1.17 0
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224990 85735361 1 O3H11C15 A3B11C15 -52.2 2.86 0.0 0.0 0
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224992 85735410 1 PO11C26H49 AB11C26D49 -567.46 3.65 -8.69 0.33 0
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224993 85735416 1 SN4O4H8C9 AB4C4D8E9 61.44 5.39 -10.09 -2.43 0
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224994 85735435 1 O4C17H26 A4B17C26 -188.76 3.25 -9.02 0.05 0
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224995 85735442 1 N3O3C16H25 A3B3C16D25 -72.85 3.62 -9.45 -0.23 0
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224996 85735461 2 ClN2H3C4 AB2C3D4 44.33 3.63 -9.1 -1.27 0
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224998 85735463 1 FSN5H6C9 ABC5D6E9 53.69 7.25 -9.29 -1.59 0
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224999 85735464 1 BrNSO4C6H8 ABCD4E6F8 -152.92 5.04 -10.81 -1.07 0
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225001 85735468 1 NSO4C6H9 ABC4D6E9 -164.4 3.84 -10.75 -0.79 1
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225002 85735471 1 OCl2N4H5C8 AB2C4D5E8 60.66 5.5 0.0 0.0 0
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225003 85735472 1 SN2O5C8H16 AB2C5D8E16 -227.87 2.99 -10.17 -0.12 0
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225004 85735474 1 OCl2N3C20H29 AB2C3D20E29 -66.39 2.56 -8.78 -1.21 0
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225005 85735475 1 IZnN2C4H5 ABC2D4E5 25.79 4.55 -9.1 -0.89 0
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225006 85735478 1 PSiF2H2 ABC2D2 -275.78 4.07 0.0 0.0 0
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225007 85735479 1 BrZnH3N4C6 ABC3D4E6 141.33 5.29 -10.53 -1.76 0
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225008 85735480 2 ClHN2O2C4 ABC2D2E4 25.49 3.7 -9.9 -2.67 0
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225009 85735481 1 NC14H15 AB14C15 106.19 2.78 -8.18 0.57 0
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225010 85735482 1 SO3C12H16 AB3C12D16 -117.91 4.96 -8.3 0.18 0
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225011 85735511 1 F3N4H7C13 A3B4C7D13 -34.43 8.48 -10.21 -1.49 1
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225012 85735527 1 ClO2N3H13C15 AB2C3D13E15 -25.67 4.5 0.0 0.0 0
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225013 85735530 1 OSiC8H18 ABC8D18 -85.37 2.04 -9.63 0.81 0
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225014 85735533 1 ClSO3N4H7C8 ABC3D4E7F8 -36.41 6.11 -9.42 -2.09 0
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225015 85735534 1 ClN2O2H9C15 AB2C2D9E15 60.06 2.37 -9.79 -1.72 0
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225016 85735537 1 IOSiC8H17 ABCD8E17 -71.61 2.22 -9.18 -0.46 0
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225017 85735569 1 NO5C14H19 AB5C14D19 -178.41 2.91 -9.06 -0.61 1
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225018 85735572 1 N2O2C9H13 A2B2C9D13 -0.31 5.51 0.0 0.0 0
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225019 85735574 2 NOC4H5 ABC4D5 0.4 1.51 -9.99 -0.74 1
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225020 85735575 1 N2O2C8H11 A2B2C8D11 9.91 4.93 0.0 0.0 1
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225021 85735585 1 N2O2C12H17 A2B2C12D17 2.87 6.45 0.0 0.0 0
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225022 85735586 1 SO4H8C10 AB4C8D10 -124.2 2.14 -9.86 -1.28 0
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225023 85735590 1 SO4H8C10 AB4C8D10 -119.54 3.55 -9.9 -1.66 0
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225024 85735593 1 SiN2O2C15H24 AB2C2D15E24 -58.11 1.05 -9.39 -0.55 0
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225025 85735598 1 O2C11H18 A2B11C18 -69.66 1.92 -9.89 0.95 0
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225026 85735634 1 S3H30C32 A3B30C32 116.56 3.22 -8.46 -0.46 0
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225027 85735635 1 O3C13H16 A3B13C16 -71.24 1.63 -9.63 -1.96 0
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225028 85735657 1 NSO2C12H17 ABC2D12E17 -63.9 4.63 -8.97 -0.5 0
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225029 85735660 1 NC19H19 AB19C19 59.48 5.3 -9.43 -0.44 0
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225030 85735669 1 FO2H17C27 AB2C17D27 10.45 1.52 -8.46 -0.76 0
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225031 85735686 1 NO3C9H9 AB3C9D9 -63.29 7.69 -9.76 -0.45 0
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225032 85735711 1 ClNSO2H6C12 ABCD2E6F12 45.68 4.89 -9.47 -1.27 0
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225033 85735723 1 SN3O5C19H29 AB3C5D19E29 -212.1 5.48 -9.06 -0.3 0
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225034 85735741 1 NO2S3H7C8 AB2C3D7E8 -15.26 3.95 -9.36 -1.09 0