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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42930 10317232 1 NO3H23C24 AB3C23D24 -60.19 2.55 -8.33 -0.57 0
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42931 10317233 1 NO3H23C24 AB3C23D24 -45.53 4.17 -8.74 -0.42 0
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42932 10317235 1 O3N5C19H27 A3B5C19D27 -29.85 7.35 -8.81 -0.89 0
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42933 10317244 1 NO3C23H35 AB3C23D35 -130.98 5.56 -9.18 0.74 0
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42934 10317246 1 NO2C24H39 AB2C24D39 -137.29 3.16 -9.32 0.17 0
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42935 10317247 1 ClN3O7C14H16 AB3C7D14E16 -227.77 2.22 -9.74 -1.9 0
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42936 10317251 1 ClOSN3C19H20 ABCD3E19F20 7.29 3.92 -8.39 -0.56 0
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42937 10317256 1 Cl2O2N3H13C18 A2B2C3D13E18 0.83 3.75 -9.53 -1.14 0
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42938 10317262 1 BrON3C18H20 ABC3D18E20 -12.77 6.64 -8.37 -0.64 0
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42939 10317267 1 O5H18C23 A5B18C23 -84.99 4.59 -8.43 -1.79 0
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42940 10317281 1 N2O3H22C23 A2B3C22D23 -26.0 4.49 -8.5 -0.69 0
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42941 10317289 1 SO3N4C18H22 AB3C4D18E22 -58.16 8.57 -8.96 -1.1 0
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42942 10317293 1 O3C25H26 A3B25C26 -72.49 4.3 -9.09 -0.44 0
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42943 10317304 2 N2C12H15 A2B12C15 75.85 4.44 -8.48 -0.4 0
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42944 10317318 1 ClO3C22H27 AB3C22D27 -77.53 6.72 -8.78 -1.04 0
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42945 10317320 1 Cl2O2N4H12C17 A2B2C4D12E17 -2.14 2.76 -9.76 -1.82 0
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42946 10317324 1 O2F3N3H16C19 A2B3C3D16E19 -181.61 1.98 -8.68 -0.81 0
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42947 10317336 1 N3O3H21C22 A3B3C21D22 -23.64 9.22 -9.09 -0.83 0
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42948 10317346 1 NSO3H17C22 ABC3D17E22 -14.55 5.25 -8.93 -0.82 0
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42949 10317347 1 SN3O4C18H21 AB3C4D18E21 -75.94 4.5 -8.93 -1.52 0
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42950 10317351 1 N3O4C20H29 A3B4C20D29 -206.47 1.77 -8.92 -0.19 0
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42951 10317358 1 NO4C22H33 AB4C22D33 -201.99 2.81 -9.03 0.05 0
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42952 10317359 1 NOC26H33 ABC26D33 -26.7 3.04 -8.57 -0.47 0
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42953 10317380 4 NOH4C5 ABC4D5 6.71 6.92 -8.48 -1.4 0
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42954 10317381 1 FN2O3H17C22 AB2C3D17E22 -97.33 1.27 -8.81 -1.42 0
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42955 10317391 1 ON2F3C21H23 AB2C3D21E23 -147.86 4.96 -8.52 -0.52 0
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42956 10317396 1 O6C21H28 A6B21C28 -218.57 3.73 -9.24 0.44 0
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42957 10317401 1 S2O3N4C16H16 A2B3C4D16E16 -26.69 6.41 -9.12 -0.91 0
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42958 10317406 1 SO3H20C23 AB3C20D23 -39.25 6.27 -9.61 -0.35 0
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42959 10317426 2 SO2C9H16 AB2C9D16 -180.1 2.86 -9.01 -0.63 0
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42961 10317430 1 ClO2N4H13C20 AB2C4D13E20 99.57 2.28 -9.15 -1.7 0
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42962 10317432 1 ClN2O2H17C22 AB2C2D17E22 -4.67 1.4 -8.66 -1.4 2
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42963 10317436 1 MnN2O9C11H18 AB2C9D11E18 -330.15 8.45 0.0 0.0 0
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42964 10317447 1 NSO6C18H19 ABC6D18E19 -159.56 0.94 -8.17 -0.66 0
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42965 10317448 1 NSO4H15C21 ABC4D15E21 -64.06 3.34 -9.05 -1.19 0
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42966 10317452 1 NO4C23H23 AB4C23D23 -92.68 3.35 -8.22 -0.48 0
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42967 10317453 1 N3O3C22H23 A3B3C22D23 -12.15 8.13 -9.45 -1.0 0
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42968 10317457 1 SO2N3H19C21 AB2C3D19E21 13.64 5.11 -8.81 -0.34 0
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42969 10317459 1 NO5C21H31 AB5C21D31 -230.54 3.05 -8.7 0.23 0
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42970 10317460 1 NO3C24H27 AB3C24D27 -80.23 2.88 -8.09 -0.62 0
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42971 10317461 1 NO3C24H27 AB3C24D27 -85.33 8.69 -9.37 -0.92 0
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42972 10317463 1 ON5C22H27 AB5C22D27 49.73 4.59 -8.46 -0.48 0
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42973 10317465 1 NSO4C20H27 ABC4D20E27 -175.76 4.61 -9.4 -0.44 0
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42974 10317467 1 NO4C22H35 AB4C22D35 -201.19 4.42 -9.72 -0.05 0
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42975 10317487 1 N2O9C15H26 A2B9C15D26 -436.33 3.44 -9.96 0.18 0
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42976 10317488 1 N2O5H18C21 A2B5C18D21 -141.88 3.85 -8.76 -0.74 0
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42977 10317489 1 N2O5H18C21 A2B5C18D21 -139.44 4.37 -8.84 -1.45 0
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42978 10317493 1 SN4O5C16H18 AB4C5D16E18 -166.06 7.25 -9.07 -0.6 0
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42979 10317501 1 N4O5C18H26 A4B5C18D26 -176.88 2.49 -9.3 -0.65 0
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42980 10317505 1 FO5C21H27 AB5C21D27 -271.04 4.77 -9.92 -0.4 0
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42981 10317509 1 OSN6H18C19 ABC6D18E19 76.85 9.05 -9.54 -1.34 0
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42982 10317510 3 O2C7H10 A2B7C10 -265.59 9.22 -9.97 -0.65 0
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42983 10317511 2 O2C12H13 A2B12C13 -110.72 0.45 -8.71 0.48 0
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42984 10317518 1 OSN4C21H22 ABC4D21E22 30.7 4.6 -8.59 -0.77 0
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42985 10317521 1 O5C22H34 A5B22C34 -244.73 2.72 -9.51 0.23 0
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42986 10317523 1 N2O4C21H34 A2B4C21D34 -165.28 3.57 -9.5 0.13 0
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42987 10317535 1 Si2O3C20H34 A2B3C20D34 -175.67 3.89 -9.07 -0.6 0
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42988 10317594 1 NO2C25H33 AB2C25D33 -85.06 3.4 -8.74 0.21 0
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42989 10317596 1 NO2C25H33 AB2C25D33 -78.06 2.8 -8.71 0.36 0
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42990 10317597 1 ON3C24H33 AB3C24D33 -15.99 5.11 -8.14 -0.01 0
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42991 10317610 1 ClNO2H22C23 ABC2D22E23 -48.61 4.94 -8.89 -0.22 0
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42992 10317629 4 NOC5H5 ABC5D5 -48.92 4.23 -8.86 -0.56 0
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42993 10317631 1 S2N4O5H12C14 A2B4C5D12E14 -112.02 8.79 -9.69 -1.37 0
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42994 10317646 1 FOSN2H21C22 ABCD2E21F22 1.69 2.25 -8.78 -0.56 0
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42995 10317655 1 SN2O4C19H28 AB2C4D19E28 -187.61 3.05 -9.45 -0.12 0
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42996 10317658 1 O3C25H32 A3B25C32 -83.21 5.26 -9.81 0.01 0
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42997 10317662 2 NOC12H16 ABC12D16 -54.23 2.96 -8.67 0.32 0
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42998 10317665 1 OS3N4C16H20 AB3C4D16E20 31.26 2.59 -8.51 -0.97 0
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42999 10317667 1 ON2C25H36 AB2C25D36 -64.27 3.3 -8.28 0.45 0
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43000 10317674 1 ClON6H17C19 ABC6D17E19 77.17 5.27 -9.09 -1.15 0
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43001 10317676 1 ClN2O2H21C22 AB2C2D21E22 83.07 2.54 -9.02 -0.46 0
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43002 10317684 1 BrO4C18H21 AB4C18D21 -161.42 3.6 -9.63 -0.34 0
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43003 10317692 1 N5O7C15H19 A5B7C15D19 -234.24 3.2 -9.74 -0.64 0
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43004 10317693 1 N5O7C15H19 A5B7C15D19 -258.63 3.41 -9.24 -0.69 0
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43005 10317706 1 NO3H19C25 AB3C19D25 -26.24 3.16 -8.47 -0.71 0