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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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19987 576375 1 N3C13H17 A3B13C17 45.13 3.3 -9.47 0.09 0
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19988 576417 1 OC16H16 AB16C16 -0.27 2.02 -9.34 0.3 0
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19989 576440 1 ON2C18H26 AB2C18D26 -18.05 5.85 -8.88 -0.11 0
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19990 576441 1 NOH19C21 ABC19D21 30.02 2.14 -8.48 0.09 0
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19991 576443 1 N3O3H13C17 A3B3C13D17 45.33 12.67 -9.9 -1.55 0
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19992 576444 1 O2C17H18 A2B17C18 -57.91 2.88 -9.39 -0.44 0
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19993 576445 1 NSC9H11 ABC9D11 26.12 1.68 -8.82 -0.01 0
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19994 576458 1 NOC25H27 ABC25D27 19.83 1.48 -8.66 0.2 0
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19995 576468 1 N4O5H20C21 A4B5C20D21 0.02 10.34 -8.79 -1.67 0
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19996 576469 1 O4H14C15 A4B14C15 -134.48 4.41 -9.91 -0.48 0
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19997 576477 1 SO3N5C17H17 AB3C5D17E17 49.06 12.47 -8.49 -1.21 0
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19998 576487 1 N3H7C8 A3B7C8 73.96 6.4 -9.58 0.37 0
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19999 576488 1 N5O8C21H39 A5B8C21D39 -361.89 6.72 -9.13 0.47 0
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20000 576499 1 N2C19H25 A2B19C25 67.43 2.67 0.0 0.0 1
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20001 576513 1 NOC10H11 ABC10D11 -28.33 2.88 -8.68 -0.03 0
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20002 576514 1 Cl2N2O2H16C17 A2B2C2D16E17 -50.84 3.41 -8.48 -1.0 0
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20003 576536 2 OC6H7 AB6C7 -47.7 2.14 -9.36 0.19 0
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20004 576574 1 N2O3H12C15 A2B3C12D15 10.12 6.73 -8.72 -1.58 0
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20005 576648 1 O2S2C9H16 A2B2C9D16 -114.11 2.44 -9.02 -0.11 0
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20006 576656 1 NO2S2H5C8 AB2C2D5E8 -43.22 0.46 -9.76 -2.32 0
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20007 576669 2 SC2F5 AB2C5 -518.5 1.04 -10.77 -2.74 0
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20008 576691 1 ON2C10H12 AB2C10D12 27.69 2.56 -9.16 -0.59 0
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20009 576703 2 OC7H10 AB7C10 -99.14 1.9 -9.62 -0.5 0
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20010 576794 1 O4H20C23 A4B20C23 -111.17 4.49 -9.18 -0.68 0
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20011 576820 1 BrN2O2C19H19 AB2C2D19E19 -25.02 3.72 -9.43 -0.42 0
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20012 576821 1 BrNO2S2H12C18 ABC2D2E12F18 16.45 3.12 -9.17 -1.7 0
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20013 576864 1 OH20C23 AB20C23 46.22 3.48 -9.35 -0.37 0
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20014 576865 1 NSO4C13H15 ABC4D13E15 -172.24 6.24 -9.61 -0.36 0
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20015 576891 1 NO5H13C16 AB5C13D16 -75.68 6.53 -9.93 -1.93 0
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20016 576893 4 OH7C8 AB7C8 -77.11 1.33 -9.12 -0.53 0
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20017 576897 1 C17H28 A17B28 -32.46 0.75 -9.22 0.54 0
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20018 576898 2 O2H9C11 A2B9C11 -99.09 0.16 -8.92 -0.7 0
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20019 577001 1 N2O4H12C17 A2B4C12D17 1.18 7.55 -9.65 -1.6 0
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20020 577004 4 OH4C5 AB4C5 -91.8 8.94 -9.37 -1.13 0
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20021 577039 1 O3N4H12C17 A3B4C12D17 -1.5 3.39 -9.48 -1.38 0
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20022 577041 1 NO4C21H27 AB4C21D27 -89.58 5.73 -9.31 -1.79 0
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20023 577051 1 N2O2C13H16 A2B2C13D16 -18.46 3.9 -9.85 -0.66 0
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20024 577095 1 N2O2H18C19 A2B2C18D19 -24.43 0.59 -8.65 -0.16 0
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20025 577126 1 OC13H20 AB13C20 -55.88 3.26 -8.59 0.59 0
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20026 577135 1 OS2C12H20 AB2C12D20 -61.96 3.19 -8.83 -0.05 0
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20027 577136 1 WO4H5F7C12 AB4C5D7E12 -407.01 7.65 -7.08 -0.43 -6
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20028 577138 1 ON3F6H19C21 AB3C6D19E21 -297.21 5.14 -8.47 -0.6 0
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20029 577171 2 OC8H12 AB8C12 -110.97 1.99 -9.58 -0.45 0
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20030 577172 2 OC8H12 AB8C12 -111.64 2.96 -9.69 -0.37 0
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20031 577173 2 OC7H9 AB7C9 -92.96 2.97 -9.68 -0.36 0
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20032 577180 1 ClN2O2C17H17 AB2C2D17E17 -14.49 2.8 -8.52 -0.79 0
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20033 577188 1 OC15H22 AB15C22 -62.42 1.98 -8.9 0.53 0
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20034 577196 1 FO3C26H31 AB3C26D31 -151.1 5.09 -9.2 -1.06 0
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20035 577232 1 NH7O7C20F20 AB7C7D20E20 -1244.06 2.59 -10.62 -1.71 0
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20036 577238 1 O2F5H9C15 A2B5C9D15 -262.38 2.91 -9.79 -1.33 0