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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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222906 85333019 1 BrSN5O6C24H31 ABC5D6E24F31 -170.3 6.13 0.0 0.0 0
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222907 85333020 1 O5N6C33H40 A5B6C33D40 -163.56 15.56 -8.73 -0.99 0
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222908 85333021 1 S2N5O12C20H33 A2B5C12D20E33 -466.46 6.04 -9.2 -1.5 0
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222909 85333036 1 BrSN3O5C28H32 ABC3D5E28F32 -139.15 3.96 -8.41 -0.43 0
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222910 85333045 1 BrCl2N4O5C24H29 AB2C4D5E24F29 -185.4 4.33 -9.38 -0.65 0
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222911 85333094 1 ClNOC39H80 ABCD39E80 -140.62 78.2 -5.03 -2.73 0
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222912 85333124 1 SN3F5O5C28H36 AB3C5D5E28F36 -455.79 3.14 -9.36 -0.47 0
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222913 85333127 2 O4C19H19 A4B19C19 -152.93 4.08 -8.86 -0.83 0
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222914 85333128 1 Si2O9C31H50 A2B9C31D50 -506.57 3.17 -9.74 -0.46 0
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222915 85333131 1 N4O15C24H40 A4B15C24D40 -693.69 2.73 -10.18 -0.15 0
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222916 85333139 1 S2N3O5H31C34 A2B3C5D31E34 -53.0 2.57 -8.21 -1.2 0
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222917 85333141 1 SF2N3O6C31H45 AB2C3D6E31F45 -363.71 3.98 -8.98 -0.35 0
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222918 85333149 1 SO13C29H38 AB13C29D38 -525.34 2.65 -9.34 -0.86 0
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222919 85333164 1 O5N7C35H35 A5B7C35D35 -60.39 6.7 -8.74 -0.81 0
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222920 85333165 1 SN5O7H31C32 AB5C7D31E32 -149.05 0.43 -9.15 -0.6 0
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222921 85333166 1 SO8N9C25H43 AB8C9D25E43 -394.79 6.37 -9.03 -0.02 0
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222922 85333168 1 O6N9C29H59 A6B9C29D59 -331.3 6.05 -9.43 -0.04 0
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222923 85333178 1 NO5C40H57 AB5C40D57 -254.0 5.64 -8.42 0.23 0
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222924 85333185 1 SCl2N4O6C29H30 AB2C4D6E29F30 -146.68 1.72 -9.45 -1.63 0
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222925 85333187 1 N7O10C28H39 A7B10C28D39 -434.93 8.42 -8.91 -0.06 0
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222926 85333188 1 FO5N7C33H42 AB5C7D33E42 -226.88 13.46 -8.69 -1.26 0
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222927 85333190 1 SF2N5O5C31H41 AB2C5D5E31F41 -268.14 9.01 -9.29 -0.26 0
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222928 85333193 1 O3N4F7H25C31 A3B4C7D25E31 -392.12 4.94 -9.27 -1.48 0
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222930 85333210 1 SN4O7C33H42 AB4C7D33E42 -257.27 5.79 -9.09 -0.65 0
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222931 85333218 1 SiN5O12C26H41 AB5C12D26E41 -552.76 6.75 -9.82 -0.48 0
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222932 85333232 1 NSO5C38H61 ABC5D38E61 -297.84 3.26 -8.87 -0.4 0
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222933 85333235 1 O8C39H48 A8B39C48 -272.79 5.89 -8.89 -0.35 0
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222934 85333271 1 SO3N4F6H22C32 AB3C4D6E22F32 -289.18 2.39 -9.15 -1.42 0
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222935 85333279 1 NS2O6C37H39 AB2C6D37E39 -114.51 6.98 -9.38 -0.97 0
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222936 85333300 1 N9O10C28H39 A9B10C28D39 -416.96 8.89 -9.31 -0.37 0
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222937 85333307 1 SN5O5C36H49 AB5C5D36E49 -123.59 10.81 -8.52 -0.9 0
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222938 85333326 1 N5O6C38H47 A5B6C38D47 -216.58 7.75 -9.15 -0.33 0
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222939 85333334 1 SN6O9C30H52 AB6C9D30E52 -460.4 3.78 -8.67 0.11 0
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222940 85333349 2 N2O2C19H21 A2B2C19D21 -41.23 2.17 -7.99 -1.74 0
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222941 85333361 1 NS2O9C34H47 AB2C9D34E47 -353.09 11.21 -8.81 -0.79 0
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222942 85333370 1 SN3O4F5C34H40 AB3C4D5E34F40 -400.12 5.52 -9.17 -0.65 0
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222943 85333398 1 OPH24C26 ABC24D26 73.83 0.89 0.0 0.0 0
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222944 85333414 1 P3N4C18O19H29 A3B4C18D19E29 -1034.35 10.17 -10.07 -0.82 0
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222945 85333419 1 SN5O10C33H37 AB5C10D33E37 -374.48 15.95 -9.36 -1.73 0
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222946 85333426 1 ClSN3O3C41H50 ABC3D3E41F50 -52.21 5.41 -8.55 -1.43 0
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222947 85333430 1 N9O11C29H51 A9B11C29D51 -529.62 7.47 -9.58 0.16 0
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222948 85333440 1 ClN5O6C38H46 AB5C6D38E46 -228.91 13.42 -9.1 -0.9 0
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222950 85333454 1 Cl2O4N6C37H44 A2B4C6D37E44 -125.27 14.19 -8.74 -1.27 0
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222951 85333455 1 F2N7O7C35H39 A2B7C7D35E39 -297.09 15.07 -8.52 -1.12 0
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222952 85333457 1 ClSO4N5C38H50 ABC4D5E38F50 -185.2 12.94 -8.68 -1.27 0
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222953 85333459 1 ClNSiO5C40H70 ABCD5E40F70 -334.46 21.26 -7.43 -1.21 0
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222954 85333462 1 SO12C37H40 AB12C37D40 -459.45 4.87 -8.79 -1.74 0
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222955 85333466 1 N7O10C33H55 A7B10C33D55 -501.4 2.99 -9.7 -0.02 0
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222957 85333474 2 O4N5C16H30 A4B5C16D30 -427.4 4.35 -9.09 0.06 0
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222958 85333481 1 ClN2O7C41H47 AB2C7D41E47 -229.65 5.21 -8.72 -0.79 0
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222959 85333508 1 P3N4O17C23H27 A3B4C17D23E27 -875.59 9.09 -9.06 -0.85 0
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222960 85333522 1 O11C41H62 A11B41C62 -556.98 1.37 -9.15 -0.09 0
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222961 85333523 1 NiN4O4C42H48 AB4C4D42E48 316.64 9.74 -7.62 -3.72 0
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222963 85333537 1 NO13C37H67 AB13C37D67 -651.45 3.68 -8.64 0.42 0
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222964 85333541 1 O5N9C40H49 A5B9C40D49 -151.52 3.78 -8.44 -0.29 1
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222965 85333544 1 Cl2F3S3O6N7H21C25 A2B3C3D6E7F21G25 -241.17 14.67 0.0 0.0 1
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222966 85333545 1 Cl2S3O4N7H20C23 A2B3C4D7E20F23 4.45 7.15 0.0 0.0 0
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222967 85333564 1 SN7O9C35H53 AB7C9D35E53 -417.14 5.22 -8.56 -0.25 0
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222968 85333571 2 O2N3C23H25 A2B3C23D25 -84.23 8.38 -8.79 -0.41 1
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222969 85333578 1 Cl2F3S3N6O6H26C27 A2B3C3D6E6F26G27 -298.1 8.87 0.0 0.0 0
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222971 85333593 1 SN7O13C31H49 AB7C13D31E49 -513.77 9.42 -9.28 -1.09 0
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222972 85333598 1 SN2O11C40H44 AB2C11D40E44 -344.34 6.78 -7.79 -1.01 0
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222973 85333601 2 ClO3N5C17H23 AB3C5D17E23 -106.72 6.09 -8.63 -0.84 0
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222974 85333602 1 F2O8N9C36H37 A2B8C9D36E37 -283.66 13.01 -8.79 -1.64 0
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222975 85333608 1 N7O8C40H57 A7B8C40D57 -355.98 3.95 -8.32 -0.5 0
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222977 85333615 1 S2N6O8C37H46 A2B6C8D37E46 -300.67 2.74 -9.05 -0.32 1
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222978 85333616 1 P4N6O17C22H23 A4B6C17D22E23 -790.68 16.03 0.0 0.0 0
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222979 85333624 1 N10O11C33H60 A10B11C33D60 -536.07 12.02 -9.37 -0.11 0
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222980 85333625 1 P4N5C18O21H29 A4B5C18D21E29 -1161.74 11.32 -9.58 -0.94 0
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222981 85333629 1 N9O14C31H53 A9B14C31D53 -685.11 8.92 -9.95 -0.12 0
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222982 85333632 1 SO6N15C32H53 AB6C15D32E53 -209.39 3.32 -8.4 -0.43 0
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222983 85333642 1 S2N6O6C41H42 A2B6C6D41E42 -86.72 4.41 -8.73 -1.19 0
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222984 85333646 1 N3O10C43H61 A3B10C43D61 -415.35 8.26 -9.17 -0.76 0
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222985 85333659 1 BF3O5N7C41H47 AB3C5D7E41F47 -366.89 6.62 -8.89 -0.91 0
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222986 85333668 1 SN11O13C29H49 AB11C13D29E49 -591.18 6.28 -9.44 -0.64 0