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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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335944 127254951 1 SN3O3C21H21 AB3C3D21E21 -34.82 4.13 -8.2 -1.08 0
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335945 127254952 1 N3O3C20H27 A3B3C20D27 -126.11 5.1 -9.48 0.22 0
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335946 127254953 1 SN2O3C15H24 AB2C3D15E24 -132.21 5.75 -8.83 0.87 0
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335947 127254954 1 ON4C17H20 AB4C17D20 14.2 3.13 -8.71 -0.34 0
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335948 127254955 1 O2N3C22H23 A2B3C22D23 -13.39 5.07 -8.16 -0.2 0
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335949 127254956 1 O4N5C19H21 A4B5C19D21 -74.67 7.63 -9.03 -1.42 0
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335950 127254957 1 ClFO2N4C18H18 ABC2D4E18F18 -36.93 3.31 -8.31 -1.08 0
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335951 127254958 1 O3N4C19H22 A3B4C19D22 -79.29 2.83 -8.92 -0.59 0
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335952 127254959 1 NO4C22H23 AB4C22D23 -97.15 2.23 -8.41 -0.73 0
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335953 127254960 1 ON5C16H17 AB5C16D17 50.91 2.24 -8.87 -0.87 0
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335954 127254961 1 ON6C12H16 AB6C12D16 32.08 2.45 -8.94 -0.07 0
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335955 127254962 2 N2O2H8C9 A2B2C8D9 1.66 8.09 -9.04 -1.15 0
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335956 127254963 1 O2N3C23H25 A2B3C23D25 -11.63 5.38 -8.06 0.11 0
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335957 127254964 1 SO3N5H19C23 AB3C5D19E23 -6.58 2.6 -8.77 -1.18 0
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335958 127254965 1 FCl2N2O3C15H17 AB2C2D3E15F17 -125.66 5.99 -7.56 -1.12 1
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335959 127254966 1 ClFN2O3C15H17 ABC2D3E15F17 -123.03 9.77 0.0 0.0 0
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335960 127254967 1 ClNO5H28C36 ABC5D28E36 -63.27 4.99 -8.36 -1.17 0
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335961 127254968 1 BrN2O4H23C30 AB2C4D23E30 4.21 5.58 -8.72 -1.44 0
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335962 127254969 1 N4O5C22H22 A4B5C22D22 -102.39 2.74 -9.06 -0.95 0
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335963 127254970 1 O4N5C20H23 A4B5C20D23 -69.37 10.25 -8.54 -1.09 0
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335964 127254971 1 SO2N3C11H15 AB2C3D11E15 -44.95 5.18 -8.65 0.11 0
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335965 127254972 1 O2N3C18H23 A2B3C18D23 -59.02 7.98 -8.88 -0.12 0
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335966 127254973 1 NO6C19H21 AB6C19D21 -173.26 7.57 -8.77 -0.71 0
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335967 127254974 1 SN3O3C19H25 AB3C3D19E25 -92.14 9.51 -8.33 -0.08 0
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335968 127254975 1 ClNO4H26C35 ABC4D26E35 -25.04 5.09 -8.38 -1.31 0
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335969 127254976 1 FSN3O3H18C19 ABC3D3E18F19 -85.43 5.3 -8.93 -1.43 0
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335970 127254977 1 ON8C16H26 AB8C16D26 51.35 10.53 -9.93 -0.36 0
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335971 127254978 1 ClO2N5C18H24 AB2C5D18E24 -21.99 7.59 -9.57 -0.57 0
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335972 127254979 1 ClSN3O4C20H20 ABC3D4E20F20 -45.07 7.72 -7.93 -1.39 1
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335973 127254980 1 SN3O4C20H20 AB3C4D20E20 -41.7 3.39 0.0 0.0 0
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335974 127254981 1 N3O3C29H41 A3B3C29D41 -162.6 4.28 -8.11 0.22 0
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335975 127254982 1 ClSN2O5C15H19 ABC2D5E15F19 -203.63 8.26 -9.45 -0.76 0
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335976 127254983 1 N2O3C19H24 A2B3C19D24 -89.03 2.29 -8.48 -0.07 0
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335977 127254984 1 ClO3N4H15C22 AB3C4D15E22 -32.72 3.09 -9.28 -1.25 0
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335978 127254985 1 OSN5H17C21 ABC5D17E21 87.1 10.6 -8.22 -0.88 0
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335979 127254986 1 O3N5C11H19 A3B5C11D19 -75.11 6.3 -10.87 -0.41 0
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335980 127254987 1 SO2N4C20H20 AB2C4D20E20 16.83 7.11 -8.03 -0.31 0
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335982 127254989 1 O3N5C24H29 A3B5C24D29 -47.18 4.63 -8.74 -0.71 0
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335983 127254990 1 N3O3H21C23 A3B3C21D23 -26.48 2.51 -8.46 -0.82 0
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335984 127254991 1 N2O5C19H22 A2B5C19D22 -148.68 5.95 -8.47 -0.42 0
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335985 127254992 1 NO5H29C36 AB5C29D36 7.96 3.71 -8.29 -1.3 0
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335987 127254994 1 O2N5C15H15 A2B5C15D15 10.83 1.75 -9.08 -1.29 0
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335988 127254995 1 O3N4C21H26 A3B4C21D26 -24.28 7.43 -9.09 -1.01 0
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335989 127254996 1 N3O3C24H29 A3B3C24D29 -82.04 8.46 -8.53 -0.21 0
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335990 127254997 1 O4N5H23C27 A4B5C23D27 -56.16 4.39 -8.95 -1.17 0
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335991 127254998 1 OSN4H18C19 ABC4D18E19 58.96 4.06 -8.22 -0.67 0
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335992 127254999 1 ClFNO5H25C35 ABCD5E25F35 -105.42 7.81 -8.34 -1.27 0
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335993 127255000 1 O4N5H29C30 A4B5C29D30 -62.25 5.66 -8.21 -0.71 0
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335994 127255001 1 SN2F4O4H26C33 AB2C4D4E26F33 -236.88 10.42 -8.22 -0.67 0
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335995 127255002 1 O2N5C21H21 A2B5C21D21 38.38 5.31 -7.93 -0.8 0
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335996 127255003 1 N3O3C16H21 A3B3C16D21 -112.01 7.73 -9.51 0.02 0
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335997 127255004 1 ClN2H17C20 AB2C17D20 52.57 3.11 -8.66 -0.81 0
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335998 127255005 1 SN2O7H28C31 AB2C7D28E31 -189.07 3.02 -8.3 -0.88 0
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335999 127255006 1 ClFNO5H25C35 ABCD5E25F35 -43.15 6.77 -8.48 -1.22 0
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336000 127255007 1 O4N6C15H16 A4B6C15D16 -43.43 10.55 -8.54 -1.04 0
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336001 127255008 1 O3N6C18H22 A3B6C18D22 -64.88 5.9 -9.01 -0.15 0
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336002 127255009 1 SO3N4C20H22 AB3C4D20E22 -66.71 2.69 -8.85 -0.79 0
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336003 127255010 1 ON5C23H31 AB5C23D31 6.89 6.89 -7.99 -0.91 0
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336004 127255011 1 N3O3C18H23 A3B3C18D23 -120.27 4.03 -9.36 0.22 0
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336005 127255012 1 ClON4C27H29 ABC4D27E29 25.66 2.64 -8.86 -0.28 0
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336006 127255013 1 FSO2N5C20H24 ABC2D5E20F24 -62.66 2.26 -8.59 -0.18 0
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336007 127255014 1 ON6H18C19 AB6C18D19 73.05 3.51 -9.1 -0.71 0
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336008 127255015 1 O3N4C24H30 A3B4C24D30 -70.06 4.99 -8.49 -0.06 0
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336009 127255016 2 ON2C11H11 AB2C11D11 27.65 6.18 -8.31 -0.55 0
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336010 127255017 1 O3N5H19C22 A3B5C19D22 -26.09 4.48 -9.39 -1.26 0
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336011 127255018 1 N4O4H18C19 A4B4C18D19 -87.05 3.06 -8.92 -0.88 0
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336012 127255019 1 O3N4C14H14 A3B4C14D14 5.84 9.31 -9.12 -1.08 0
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336014 127255021 1 N3O4H19C20 A3B4C19D20 -103.97 3.02 -9.37 -1.12 0
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336015 127255022 1 ClN3O5H14C23 AB3C5D14E23 -100.65 9.85 -8.73 -1.77 0
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336016 127255023 1 N2O5C22H24 A2B5C22D24 -167.69 2.95 -8.38 -0.09 0
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336017 127255024 1 ClON2C17H29 ABC2D17E29 -97.73 5.99 -8.75 0.04 0
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336018 127255025 1 SN3O4C19H21 AB3C4D19E21 -113.96 7.19 -8.67 -0.5 0
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336019 127255026 1 ClNO5H30C33 ABC5D30E33 -97.27 5.28 -8.28 -1.33 0
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336020 127255027 1 N5O5H25C27 A5B5C25D27 -83.39 5.39 -9.18 -1.1 0
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336021 127255028 1 SN3O3C21H21 AB3C3D21E21 -50.1 3.66 -8.77 -0.58 0