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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
301983 123106973 1 NSO6C21H21 ABC6D21E21 -183.69 5.67 -8.96 -1.12 0
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301984 123106976 1 NSO6H19C20 ABC6D19E20 -182.84 6.36 -9.09 -0.93 0
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301985 123107054 1 NSO2C21H21 ABC2D21E21 -22.73 3.51 -8.49 -0.76 0
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301986 123107058 1 FNSO2H16C19 ABCD2E16F19 -56.6 2.1 -8.61 -0.56 0
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301987 123107754 1 ClNSO2F3H17C18 ABCD2E3F17G18 -210.72 6.49 -9.17 -0.78 0
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301988 123107793 1 NSO2C16H23 ABC2D16E23 -85.07 4.99 -8.56 0.07 0
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301989 123107839 1 SO4C13H18 AB4C13D18 -148.02 1.82 -8.69 -0.01 0
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301990 123107846 1 SO3C18H20 AB3C18D20 -84.47 3.64 -8.79 -0.24 0
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301991 123107934 2 NSO2C8H9 ABC2D8E9 -119.4 2.96 -8.8 -1.42 0
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301992 123108217 1 SN2O6C20H20 AB2C6D20E20 -109.2 7.39 -8.88 -1.51 0
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301993 123108218 1 NSO4H15C16 ABC4D15E16 -21.78 9.34 -9.17 -1.38 0
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301994 123108219 1 NSO4H13C15 ABC4D13E15 -21.29 7.12 -9.3 -1.43 0
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301995 123108220 1 NSO4H15C16 ABC4D15E16 -32.19 7.4 -9.24 -1.39 0
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301996 123108224 1 NSO6C17H17 ABC6D17E17 -104.56 8.27 -9.1 -1.32 0
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301997 123108372 1 NSCl3O3H16C17 ABC3D3E16F17 -99.76 2.53 -8.46 -0.75 0
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301998 123108486 1 OSCl2C12H16 ABC2D12E16 -45.51 5.29 -8.7 -0.4 0
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301999 123108542 1 SO2Cl3H11C15 AB2C3D11E15 -41.83 3.45 -9.19 -1.05 0
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302000 123108693 1 SN2O3C21H26 AB2C3D21E26 -101.54 5.62 -8.23 -0.18 0
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302001 123108934 1 NSO5C20H23 ABC5D20E23 -164.9 2.9 -8.56 -0.95 0
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302002 123109374 1 NSO4C21H25 ABC4D21E25 -133.88 6.95 -8.77 -0.53 0
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302003 123109432 1 SO5C22H26 AB5C22D26 -182.11 6.52 -8.88 -0.71 0
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302004 123109440 1 SO3C19H22 AB3C19D22 -85.19 6.25 -8.63 -0.58 0
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302005 123109441 1 NSO3C13H15 ABC3D13E15 -73.92 2.23 -9.25 -0.8 0
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302006 123109442 1 SO3C14H20 AB3C14D20 -118.27 6.64 -8.61 -0.5 0
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302007 123109443 1 SO3C13H18 AB3C13D18 -111.33 6.33 -8.66 -0.54 0
Show
302008 123109627 1 NSO4C19H21 ABC4D19E21 -123.8 6.12 -8.82 -0.64 0
Show
302009 123109870 1 SO6C19H20 AB6C19D20 -193.51 3.32 -9.11 -0.74 0
Show
302010 123109902 1 NSO4C19H21 ABC4D19E21 -125.73 2.52 -8.98 -0.82 0
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302011 123109909 1 NSO6C19H21 ABC6D19E21 -189.16 1.53 -8.53 -0.86 0
Show
302012 123109973 1 NSO4C20H23 ABC4D20E23 -129.57 2.11 -8.6 -0.83 0
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302013 123109974 1 NSO4C21H25 ABC4D21E25 -134.84 2.43 -8.56 -0.8 0
Show
302014 123109975 1 NSO5C19H19 ABC5D19E19 -152.52 6.43 -9.06 -0.98 0
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302015 123110068 1 SO3C12H14 AB3C12D14 -76.65 1.8 -8.71 -0.61 0
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302016 123110070 1 SO3C13H18 AB3C13D18 -107.52 2.05 -8.57 -0.87 0
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302017 123110210 1 SO5C19H22 AB5C19D22 -148.35 2.38 -8.5 -0.67 0
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302018 123110211 1 NSO4C20H23 ABC4D20E23 -131.91 2.43 -8.52 -0.77 0
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302019 123110573 1 ClNSO4C19H20 ABCD4E19F20 -135.95 1.88 -8.91 -0.61 0
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302020 123110630 1 ClNS2O6C26H26 ABC2D6E26F26 -206.82 8.82 -8.75 -1.06 0
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302021 123110659 1 SO5C14H18 AB5C14D18 -194.2 4.01 -8.8 -0.52 0
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302022 123110660 1 SO5C17H24 AB5C17D24 -214.05 5.98 -8.87 -0.48 0
Show
302023 123110661 1 SO6C17H24 AB6C17D24 -246.51 3.3 -8.95 -0.62 0
Show
302024 123110966 1 NSO4C17H25 ABC4D17E25 -168.23 2.2 -9.05 -0.75 0
Show
302025 123110971 1 NSO4C21H25 ABC4D21E25 -133.76 3.35 -8.69 -0.46 0
Show
302026 123111003 1 SO6C19H28 AB6C19D28 -252.49 4.16 -8.94 -0.72 0
Show
302027 123111090 1 NSO6C22H23 ABC6D22E23 -196.25 4.88 -8.67 -1.26 0
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302028 123111297 1 NSO4C17H25 ABC4D17E25 -131.75 2.64 -8.05 0.04 0
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302029 123111448 1 SO3C12H14 AB3C12D14 -74.59 4.67 -8.81 -0.31 0
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302030 124338618 1 OCl2N2F3H19C20 AB2C2D3E19F20 -181.83 1.88 -9.08 -1.01 0
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302031 124338619 1 ClON2C23H29 ABC2D23E29 -36.32 5.89 -8.81 0.07 0
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302032 124338620 1 ClON2C23H29 ABC2D23E29 -35.79 6.33 -8.84 0.06 0
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302033 124338621 1 ClON2C21H31 ABC2D21E31 -67.3 6.19 -8.93 0.04 0
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302034 124338625 1 ClN2O3C20H21 AB2C3D20E21 -95.21 6.8 -9.15 -0.83 0
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302035 124338626 1 BrFON2C19H20 ABCD2E19F20 -46.63 4.89 -8.96 -0.31 0
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302036 124338697 1 ClFON2C19H20 ABCD2E19F20 -59.72 5.34 -8.96 -0.28 0
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302037 124338707 1 ClFON2C20H22 ABCD2E20F22 -68.04 2.77 -9.32 -0.22 0
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302038 124338722 1 FON2C23H29 ABC2D23E29 -74.78 6.13 -8.86 0.08 0
Show
302039 124338736 1 ClFSN3O3C26H27 ABCD3E3F26G27 -121.27 5.82 -9.01 -0.83 0
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302040 124338771 1 ClFN2O3C21H24 ABC2D3E21F24 -138.92 6.77 -8.12 -0.2 0
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302041 124338786 1 BrClFON2C20H21 ABCDE2F20G21 -68.21 5.52 -8.85 -0.38 0
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302042 124338789 1 ClFO2N3C24H29 ABC2D3E24F29 -93.87 3.79 -8.46 -0.21 0
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302043 124338842 1 SCl2O3N5H19C20 AB2C3D5E19F20 -23.51 7.48 -9.04 -0.97 0
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302044 124338865 1 NO3C13H19 AB3C13D19 -117.64 4.19 -8.85 0.06 1
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302045 124338891 1 P2N4O11C14H27 A2B4C11D14E27 -505.5 18.92 0.0 0.0 0
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302046 124343084 1 ON2C18H22 AB2C18D22 -16.93 4.44 -9.22 -0.18 0
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302047 124343100 1 O2N3C23H25 A2B3C23D25 -0.58 8.48 -8.34 -0.38 0
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302048 124343106 1 ClO2N3C23H24 AB2C3D23E24 -10.08 9.33 -8.62 -0.74 0
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302049 124343158 1 BrClNSO5H17C18 ABCDE5F17G18 -176.93 1.51 -8.99 -1.21 0
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302050 124349057 1 NSO3C21H21 ABC3D21E21 -70.19 5.9 -8.8 -1.13 0
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302051 124349058 1 SN2O5C23H28 AB2C5D23E28 -171.71 8.07 -8.89 -0.66 0
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302052 124349059 1 SN2O5C23H28 AB2C5D23E28 -175.89 8.17 -8.6 -0.69 0
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302053 124349060 1 SN2O5C18H20 AB2C5D18E20 -102.43 6.32 -9.0 -1.63 0
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302054 124349061 1 SN2O5C18H20 AB2C5D18E20 -104.31 4.83 -8.93 -1.62 0
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302055 124349062 1 BrNSO3C18H20 ABCD3E18F20 -90.32 3.83 -8.88 -0.42 0
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302056 124349066 1 SN2O2C19H32 AB2C2D19E32 -111.7 6.27 -8.58 -0.1 0
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302057 124349067 1 SN2O2C19H32 AB2C2D19E32 -111.18 6.51 -8.59 -0.11 0
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302058 124349068 1 SN2O2C16H26 AB2C2D16E26 -78.33 5.83 -8.56 -0.47 0
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302059 124349080 1 SN2O2C18H30 AB2C2D18E30 -94.75 5.53 -8.65 0.19 0
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302060 124349083 1 ClSN2O2C17H27 ABC2D2E17F27 -96.15 4.16 -8.76 -0.12 0
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302061 124349089 1 BrNCl2O3H10C15 ABC2D3E10F15 -67.29 5.81 -9.14 -1.44 0
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302062 124349094 1 N2Cl3O5H17C19 A2B3C5D17E19 -168.41 3.22 -9.03 -0.84 0
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302063 124349118 1 N2O7C24H24 A2B7C24D24 -248.47 8.11 -9.19 -1.9 0
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302064 124349143 1 BrClSN2O2H10C13 ABCD2E2F10G13 12.35 2.67 -9.46 -1.04 0
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302065 124349151 1 ClFSN2O5H20C22 ABCD2E5F20G22 -173.79 2.46 -8.56 -0.95 0
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302066 124349152 1 SO7H22C25 AB7C22D25 -209.56 7.89 -9.69 -1.08 0
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302067 124349168 1 N3O3C18H23 A3B3C18D23 -81.12 4.15 -8.88 0.1 0
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302068 124349169 1 NO4C13H21 AB4C13D21 -170.99 4.65 -8.38 -0.14 0
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302069 124349188 1 ClN2O6H15C17 AB2C6D15E17 -109.03 4.56 -9.23 -1.79 0
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302070 124349200 2 OC6H10 AB6C10 -95.23 0.89 -9.73 0.95 0
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302072 124349206 1 SN3O7C21H27 AB3C7D21E27 -267.91 5.24 -9.48 -0.37 0
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302073 124349208 1 ClSN2O5H21C22 ABC2D5E21F22 -140.08 8.99 -8.93 -0.94 0
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302074 124349210 1 SO3N4C19H20 AB3C4D19E20 -66.8 0.69 -9.46 -0.93 0
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302075 124349220 1 S3O7N9C27H37 A3B7C9D27E37 -176.6 8.44 -8.76 -0.99 0
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302076 124349222 1 N4O5C37H48 A4B5C37D48 -194.42 8.31 -9.14 0.03 0
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302077 124349223 1 N4O5C37H48 A4B5C37D48 -196.2 6.06 -9.02 0.17 0
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302078 124349224 1 N3O6C20H27 A3B6C20D27 -248.8 4.25 -9.41 -0.54 0
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302079 124349240 1 SN2O6H22C23 AB2C6D22E23 -180.79 5.88 -9.74 -0.76 0
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302080 124349262 1 OS2N5C19H25 AB2C5D19E25 21.61 4.13 -8.95 -0.71 0
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302081 124349264 1 SN3O3C15H23 AB3C3D15E23 -107.2 6.6 -9.17 -0.37 0
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302082 124349265 1 N3O4C16H17 A3B4C16D17 -126.1 9.22 -8.85 -0.93 0
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302083 124349446 1 ClSN2O4C20H21 ABC2D4E20F21 -118.11 5.54 -8.98 -0.58 0