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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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