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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395931 135026956 1 NO3H15C17 AB3C15D17 -70.39 0.62 -9.2 -0.58 0
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395932 135026976 1 NO10C15H21 AB10C15D21 -428.9 8.11 -10.67 -0.16 0
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395933 135026982 1 ON2C20H26 AB2C20D26 5.57 2.21 -8.62 0.15 0
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395934 135026987 1 SiO3C22H34 AB3C22D34 -161.63 3.35 -8.8 -0.85 0
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395935 135026988 1 O4C15H16 A4B15C16 -127.5 4.65 -9.71 -0.83 0
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395936 135026991 1 OSN3C19H19 ABC3D19E19 8.15 4.18 -8.5 -1.34 0
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395937 135026992 1 NO5C24H25 AB5C24D25 -180.74 2.11 -9.14 -0.31 0
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395938 135026993 1 NO3C16H17 AB3C16D17 6.83 1.63 -8.56 -0.16 0
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395939 135026995 1 BrO2H13C17 AB2C13D17 -3.13 3.7 -9.68 -0.9 0
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395940 135026996 1 SiO7C26H40 AB7C26D40 -370.6 3.25 -8.69 0.02 0
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395941 135026997 1 S2O5N7H63C65 A2B5C7D63E65 93.7 13.38 -8.06 -1.92 0
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395942 135026998 1 ClON2C21H21 ABC2D21E21 45.21 4.25 -9.25 -0.65 0
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395943 135027000 1 O4C25H28 A4B25C28 -141.06 5.29 -9.45 0.03 0
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395944 135027002 1 NSSiO7C21H39 ABCD7E21F39 -403.06 3.76 -8.94 0.13 0
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395945 135027003 1 NSiO4C30H39 ABC4D30E39 -186.87 2.61 -9.01 0.13 0
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395946 135027004 1 NSiO4C30H43 ABC4D30E43 -205.33 5.87 -8.96 0.12 0
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395947 135027005 1 SN2O2H22C23 AB2C2D22E23 21.33 4.6 -8.91 -0.44 0
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395948 135027006 1 FSN2O2H21C23 ABC2D2E21F23 -26.96 2.97 -8.98 -0.51 0
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395949 135027011 1 SN2O2C24H24 AB2C2D24E24 10.5 6.32 -8.72 -0.38 0
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395950 135027012 1 SN2O3C24H24 AB2C3D24E24 -19.87 5.09 -8.51 -0.4 0
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395951 135027013 1 ClSN2O2H21C23 ABC2D2E21F23 10.8 4.88 -8.9 -0.42 0
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395952 135027020 1 SN2O2C19H22 AB2C2D19E22 -16.84 6.13 -8.83 -0.37 0
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395953 135027021 1 SN2O2C18H20 AB2C2D18E20 -12.97 4.48 -8.86 -0.37 0
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395954 135027022 1 SN2O2H28C30 AB2C2D28E30 39.08 7.33 -8.82 -0.46 0
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395955 135027024 1 OSC12H16 ABC12D16 -28.52 3.25 -8.28 -0.19 0
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395956 135027025 1 OC12H16 AB12C16 -31.13 2.75 -9.03 0.21 0
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395957 135027026 1 O2C25H28 A2B25C28 12.51 1.2 -8.45 -0.71 0
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395958 135027027 1 O2C29H32 A2B29C32 13.09 1.2 -8.42 -0.71 0
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395959 135027028 1 N2O4C21H24 A2B4C21D24 -64.27 4.56 -9.42 -0.52 0
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395960 135027029 2 NO2C11H13 AB2C11D13 -77.76 2.72 -9.42 -0.6 0
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395961 135027030 1 N2O5C22H26 A2B5C22D26 -106.04 4.23 -8.71 -0.42 0
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395962 135027031 1 NO4C9H9 AB4C9D9 -103.98 2.5 -9.75 -0.16 0
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395963 135027033 1 N2O2H32C33 A2B2C32D33 7.77 4.54 -8.49 -0.75 0
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395964 135027034 1 SO6C37H40 AB6C37D40 -134.58 4.39 -8.34 -0.59 0
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395965 135027035 1 SO6C35H38 AB6C35D38 -177.23 6.16 -8.25 -0.29 0
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395966 135027036 1 NO4C13H13 AB4C13D13 -126.43 4.04 -9.46 -0.57 0
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395967 135027038 1 OSN3H15C19 ABC3D15E19 95.11 5.37 -8.81 -0.88 0
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395968 135027040 1 ClFN3H13C20 ABC3D13E20 74.38 7.98 -9.56 -1.27 0
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395969 135027041 1 N3H17C18 A3B17C18 91.26 6.65 -9.41 -0.25 0
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395970 135027042 1 ON3H17C18 AB3C17D18 60.84 6.36 -9.06 -0.08 0
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395971 135027044 1 N5H23C27 A5B23C27 163.33 5.97 -8.93 -0.62 0
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395972 135027046 1 N2O6C29H32 A2B6C29D32 -130.79 1.95 -9.61 -0.4 0
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395973 135027050 1 ClN2O6C29H31 AB2C6D29E31 -141.72 4.41 -9.52 -0.59 0
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395974 135027069 1 ON2C17H28 AB2C17D28 -48.88 1.69 -8.6 0.59 0
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395975 135027076 2 SN2O3C35H37 AB2C3D35E37 -53.29 2.49 -7.88 -1.36 0
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395976 135027080 1 O3N4C17H18 A3B4C17D18 -54.78 3.28 -8.8 -0.6 0
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395977 135027083 1 O3H16C17 A3B16C17 -42.05 3.04 -9.26 -0.65 0
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395978 135027085 1 ClN2O4C21H23 AB2C4D21E23 -72.03 6.09 -9.4 -0.64 0
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395979 135027092 1 ClN2O4C22H25 AB2C4D22E25 -85.92 4.61 -9.48 -0.55 1
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395980 135027104 1 BrPPdC9H15 ABCD9E15 49.63 16.14 0.0 0.0 0
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395981 135027106 1 NO3H19C20 AB3C19D20 -73.66 2.05 -9.09 -0.82 0
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395982 135027119 1 N5O6C15H21 A5B6C15D21 -209.39 9.3 -9.16 -0.62 0
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395983 135027121 1 SO7C18H26 AB7C18D26 -290.62 1.03 -8.88 -0.2 0
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395984 135027129 1 PSN3O3C16H20 ABC3D3E16F20 -105.46 4.89 -8.97 -0.98 -2
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395986 135027147 1 N2O2C20H27 A2B2C20D27 -31.51 2.87 0.0 0.0 0
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395987 135027150 1 ClN2C17H17 AB2C17D17 40.7 4.79 -8.84 -0.69 0
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395988 135027158 1 NO5H15C16 AB5C15D16 -100.0 4.64 -9.0 -1.87 0
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395989 135027161 1 ClN2O2H13C16 AB2C2D13E16 39.87 3.42 -8.74 -0.5 0
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395990 135027162 2 NOC8H10 ABC8D10 -0.09 4.02 -8.58 -0.39 1
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395991 135027165 1 N2H13C16 A2B13C16 93.5 3.23 0.0 0.0 0
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395992 135027166 1 OF3N4H11C12 AB3C4D11E12 -112.96 4.27 -9.54 -1.07 0
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395993 135027167 1 O4N5C12H13 A4B5C12D13 9.23 5.87 -9.25 -1.76 0
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395994 135027168 2 N2O2C7H9 A2B2C7D9 -64.22 7.94 -8.94 -0.4 1
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395995 135027169 1 N2O2S2C24H29 A2B2C2D24E29 -10.38 1.11 0.0 0.0 0
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395996 135027170 2 NOSC12H14 ABCD12E14 -2.1 5.61 -7.91 -0.62 0
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395997 135027172 1 BrOSiC13H19 ABCD13E19 -52.68 2.32 -9.56 -0.29 0
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395998 135027173 1 NSO2C37H45 ABC2D37E45 -23.13 3.33 -7.69 -0.54 0
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395999 135027174 1 NO6C16H21 AB6C16D21 -253.29 2.7 -9.61 0.08 0
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396000 135027175 1 N4O5C17H22 A4B5C17D22 -158.05 5.52 -10.01 -0.36 0
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396003 135027178 1 NO5C22H25 AB5C22D25 -153.98 4.96 -8.3 -0.02 0
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396004 135027179 1 NO3C17H23 AB3C17D23 -121.19 2.44 -8.7 -0.46 0
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396005 135027180 1 O3C9H16 A3B9C16 -134.45 1.9 -9.99 1.08 0
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396006 135027181 1 BrFO3C14H14 ABC3D14E14 -162.05 2.38 -10.1 -1.24 0
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396007 135027183 1 PSN3O3C15H18 ABC3D3E15F18 -98.89 1.94 -9.13 -1.02 0
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396008 135027192 1 SO4C23H24 AB4C23D24 -113.35 4.83 -9.36 -0.44 0
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396009 135027194 1 ClO4C26H27 AB4C26D27 -140.25 3.56 -9.64 -0.39 0
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396010 135027195 1 O5C27H30 A5B27C30 -171.13 5.5 -8.97 0.03 0
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396011 135027196 1 BrNO2C14H22 ABC2D14E22 -97.96 4.37 -9.11 -0.46 0
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396012 135027197 1 O4H28C31 A4B28C31 21.09 3.8 -8.2 -0.61 0
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396013 135027200 1 SO9H34C38 AB9C34D38 -217.02 6.96 -8.38 -0.6 0
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396014 135027201 1 SO9H34C38 AB9C34D38 -225.17 5.26 -8.34 -0.84 0
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396015 135027202 1 O7H28C32 A7B28C32 -163.35 2.19 -8.37 -0.55 0
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396016 135027203 1 N2O4C21H24 A2B4C21D24 -68.94 2.7 -9.57 -0.5 0
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396017 135027204 1 N2O4C21H24 A2B4C21D24 -68.1 5.17 -9.63 -0.44 0
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396018 135027206 1 NO3C16H19 AB3C16D19 -110.38 1.66 -8.79 -0.12 0
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396019 135027207 2 O2C5H6 A2B5C6 -147.92 6.59 -10.32 -0.33 0
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396020 135027208 1 O3C13H18 A3B13C18 -114.48 2.36 -9.77 0.02 0
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396021 135027210 1 ClN3O5C25H30 AB3C5D25E30 -196.91 3.87 -8.82 -0.6 0
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396022 135027212 1 N3O5C25H31 A3B5C25D31 -185.52 3.17 -8.56 -0.45 0
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396023 135027213 1 NOH15C20 ABC15D20 85.8 3.53 -8.57 -0.94 0
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396024 135027214 1 NOH15C20 ABC15D20 86.08 4.23 -8.57 -0.9 0
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396025 135027215 1 NO2H17C18 AB2C17D18 -1.88 2.35 -8.84 -0.3 0
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396027 135027219 1 NO2C8H8 AB2C8D8 4.95 4.51 0.0 0.0 0
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396028 135027220 1 NO2C10H19 AB2C10D19 -115.07 2.05 -9.25 0.7 0
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396029 135027221 1 PO2C18H29 AB2C18D29 -147.82 3.84 -9.87 -0.11 0
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396030 135027223 4 N2C3H5 A2B3C5 69.87 3.57 -8.36 0.57 0
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396031 135027226 1 O3C8H10 A3B8C10 -87.1 3.15 -10.23 -0.4 1
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396032 135027227 1 ClO4C25H30 AB4C25D30 -159.31 3.75 0.0 0.0 0
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396033 135027233 1 FNO4H12C17 ABC4D12E17 -149.53 7.04 -9.84 -1.9 0
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396034 135027234 1 FSO4H19C22 ABC4D19E22 -127.34 6.1 -8.28 -0.39 0