List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
247000 103066236 1 ClSC14H19 ABC14D19 -1.66 1.69 -8.4 -0.09 0
247001 103066257 1 ClNSF3H9C10 ABCD3E9F10 -132.48 3.39 -9.24 -1.15 0
247002 103066260 1 ClSN3C11H16 ABC3D11E16 33.46 7.43 -8.72 -0.34 0
247003 103066270 1 ClSN2C8H9 ABC2D8E9 42.41 1.84 -9.02 -0.75 0
247004 103066281 1 ClNS2C7H8 ABC2D7E8 39.94 1.85 -8.89 -0.72 0
247005 103066313 1 ClOSC8H15 ABCD8E15 -52.69 2.91 -8.71 0.03 0
247006 103066332 1 ClSN3C7H10 ABC3D7E10 50.92 4.1 -9.16 -0.48 0
247007 103066339 1 ClNOC14H20 ABCD14E20 -33.02 0.61 -8.84 -0.01 0
247008 103066367 1 ON2C14H18 AB2C14D18 16.12 6.02 -9.22 -0.6 0
247009 103066370 1 NOC14H19 ABC14D19 10.05 2.04 -8.43 0.41 0
247010 103066390 1 NOBr2C13H17 ABC2D13E17 -6.05 2.67 -9.16 -0.5 0
247011 103066416 1 BrNOC14H18 ABCD14E18 13.32 2.86 -8.63 -0.01 0
247012 103066426 1 NOC13H19 ABC13D19 -15.48 2.3 -8.62 0.55 0
247013 103066435 1 BrClNOC12H15 ABCDE12F15 -11.53 1.37 -9.02 -0.53 0
247014 103066457 1 N2O3C11H14 A2B3C11D14 -19.54 8.46 -9.65 -0.92 0
247015 103066463 1 NO3C12H17 AB3C12D17 -74.65 4.11 -8.73 0.09 0
247016 103066475 1 NOC19H31 ABC19D31 -47.43 2.19 -8.31 0.61 0
247017 103066477 1 NOC17H25 ABC17D25 -2.05 1.88 -8.67 0.38 0
247018 103066481 1 ON2S2C14H14 AB2C2D14E14 34.31 3.98 -8.24 -0.58 0
247019 103066487 1 NO2C14H21 AB2C14D21 -51.42 2.1 -8.32 0.05 0
247020 103066492 1 NOCl2C12H15 ABC2D12E15 -24.43 2.66 -8.95 -0.36 0
247021 103066503 1 NOC16H25 ABC16D25 -38.49 1.05 -8.38 0.41 0
247022 103066511 1 NOC16H25 ABC16D25 -32.05 2.39 -8.46 0.46 0
247023 103066553 1 NOC16H25 ABC16D25 -37.28 3.17 -8.41 0.48 0
247024 103066556 1 NOC14H21 ABC14D21 -20.38 2.38 -8.46 0.43 0
247025 103066558 1 NOC13H19 ABC13D19 -14.37 2.36 -8.46 0.43 0
247026 103066587 1 BrNOC13H18 ABCD13E18 -13.87 4.22 -8.85 -0.02 0
247027 103066594 1 ClNOC13H18 ABCD13E18 -22.95 2.35 -8.75 0.03 0
247028 103066614 1 NOC14H21 ABC14D21 -23.92 2.33 -8.56 0.39 0
247029 103066624 1 NOC12H17 ABC12D17 -22.09 2.15 -8.59 0.69 0
247030 103066640 1 NOC12H17 ABC12D17 -11.96 2.9 -8.61 0.54 0
247031 103066647 1 FNOC14H20 ABCD14E20 -68.69 1.44 -8.94 -0.22 0
247032 103066657 1 NOC12H17 ABC12D17 -5.69 2.52 -8.76 0.22 0
247033 103066666 1 BrNOC13H18 ABCD13E18 -11.91 3.59 -9.06 -0.1 0
247034 103066667 1 BrNOC11H14 ABCD11E14 1.41 2.02 -9.13 -0.25 0
247035 103066673 1 ClNOC10H12 ABCD10E12 -10.41 0.98 -9.23 -0.22 0
247036 103066703 1 NOC14H15 ABC14D15 14.52 1.07 -8.57 -0.36 0
247037 103066715 1 BrNOC18H22 ABCD18E22 -3.44 2.39 -8.68 -0.79 0
247038 103066723 1 NOC17H19 ABC17D19 37.09 2.78 -8.5 -0.46 0
247039 103066771 1 N2O4C11H14 A2B4C11D14 -42.95 5.32 -9.0 -1.13 0
247040 103066780 1 N2O3C13H18 A2B3C13D18 -14.05 7.11 -8.98 -1.41 0
247041 103066787 1 FN2O3C13H17 AB2C3D13E17 -65.6 5.79 -9.49 -1.2 0
247042 103066805 1 NOC17H19 ABC17D19 25.57 0.95 -8.88 0.0 0
247043 103066834 1 N2O3C12H16 A2B3C12D16 -17.57 7.35 -9.48 -0.86 0
247044 103066838 1 NOCl2C13H17 ABC2D13E17 -29.79 4.71 -8.97 -0.28 0
247045 103066877 1 INOC13H18 ABCD13E18 0.15 4.37 -8.77 -0.61 0
247046 103066879 1 INOC11H14 ABCD11E14 15.68 1.54 -8.98 -0.78 0
247047 103066915 1 NO2C16H25 AB2C16D25 -64.44 2.79 -8.76 0.14 0
247048 103066923 1 ON2C15H18 AB2C15D18 19.41 1.45 -8.38 -0.35 0
247049 103066929 1 NOC13H19 ABC13D19 -10.16 2.75 -8.87 0.39 0
247050 103066933 1 ClNOC14H20 ABCD14E20 -32.38 4.04 -8.62 0.18 0
247051 103066935 1 ClNOC16H24 ABCD16E24 -55.63 3.57 -8.55 0.37 0
247052 103066956 1 BrClN2O3C12H14 ABC2D3E12F14 -38.8 8.14 -9.32 -1.12 0
247053 103066959 1 BrClN2O3C11H12 ABC2D3E11F12 -4.63 3.94 -9.47 -1.5 0
247054 103067043 1 ClNOC17H20 ABCD17E20 -8.29 4.26 -8.43 -0.44 0
247055 103067045 1 NSO3C15H23 ABC3D15E23 -108.06 7.28 -9.16 -0.39 0
247056 103067049 1 NSO3C14H21 ABC3D14E21 -102.05 9.0 -9.38 -0.25 0
247057 103067052 1 NSO3C15H23 ABC3D15E23 -104.14 5.54 -8.97 -0.63 0
247058 103067062 1 N3O3C13H13 A3B3C13D13 25.44 4.04 -9.53 -1.65 0
247059 103067066 1 ClFNOC12H15 ABCDE12F15 -60.36 1.14 -8.94 -0.58 0
247060 103067074 1 NOC18H29 ABC18D29 -48.48 2.07 -8.46 0.53 0
247061 103067110 1 NOC17H23 ABC17D23 -2.89 2.22 -8.57 0.35 0
247062 103067124 1 IN3O3C14H16 AB3C3D14E16 35.57 6.89 -9.3 -1.84 0
247063 103067127 1 FN2O3C14H19 AB2C3D14E19 -74.92 6.95 -9.23 -1.33 0
247064 103067143 1 Cl2N2O3C12H14 A2B2C3D12E14 -25.35 7.21 -9.41 -1.54 0
247065 103067148 1 N3O3C13H17 A3B3C13D17 23.31 7.95 -9.46 -0.89 0
247066 103067173 2 NO2C7H9 AB2C7D9 -23.45 7.14 -8.99 -1.12 0
247067 103067176 2 NO2C7H10 AB2C7D10 -56.42 7.91 -8.96 -1.08 0
247068 103067181 1 ClN2O3C14H19 AB2C3D14E19 -37.36 3.54 -9.03 -1.39 0
247069 103067192 1 FN2O3C14H19 AB2C3D14E19 -68.41 7.13 -9.2 -1.46 0
247070 103067209 1 ClNOC12H16 ABCD12E16 -18.28 3.1 -8.54 0.04 0
247071 103067257 1 NO2C14H21 AB2C14D21 -61.09 2.97 -8.96 0.15 0
247072 103067304 1 ClON2C12H17 ABC2D12E17 -10.74 5.3 -9.24 -0.42 0
247073 103067307 1 NOBr2C13H15 ABC2D13E15 22.98 3.66 -9.04 -0.42 0
247074 103067310 1 NOBr2C13H17 ABC2D13E17 -9.27 3.97 -9.0 -0.39 0