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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138913 52441781 1 FON2C15H23 ABC2D15E23 -102.54 2.73 -8.92 -0.06 0
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138914 52442096 1 SO3N4C15H16 AB3C4D15E16 -45.16 8.71 -8.81 -0.91 0
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138915 52442310 1 N5H21C22 A5B21C22 137.36 4.89 -8.28 -0.49 0
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138916 52442679 1 O3N4C25H30 A3B4C25D30 -83.13 4.02 -8.32 -0.54 0
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138917 52442831 2 N2O2C13H16 A2B2C13D16 -117.35 5.56 -8.53 -0.57 0
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138918 52442953 1 ClN4O4C19H23 AB4C4D19E23 -162.98 5.34 -9.38 -0.66 0
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138919 52443175 1 FO3N4C25H29 AB3C4D25E29 -122.81 5.2 -8.95 -0.61 0
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138920 52443176 1 FN4O4C25H29 AB4C4D25E29 -155.83 1.5 -8.15 -0.62 0
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138921 52443453 1 BrOSF2N4H9C15 ABCD2E4F9G15 15.83 7.87 -8.98 -2.31 0
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138922 52443592 1 ClFO2N3C22H23 ABC2D3E22F23 -92.98 8.42 -8.97 -0.41 0
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138923 52443816 1 SO2Cl3N4H13C14 AB2C3D4E13F14 -8.63 6.01 -9.02 -1.11 0
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138924 52443817 1 Cl3N4O4H9C13 A3B4C4D9E13 6.63 10.01 -8.92 -2.02 0
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138925 52444651 1 S2N3O3C20H23 A2B3C3D20E23 -77.68 2.44 -8.85 -1.25 0
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138926 52444714 1 SN3O4C22H25 AB3C4D22E25 -127.71 9.13 -8.56 -1.04 0
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138927 52444721 1 SN3O3C24H29 AB3C3D24E29 -113.48 3.04 -8.8 -0.98 0
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138928 52444722 1 SN3O3C24H29 AB3C3D24E29 -114.92 4.02 -8.81 -0.98 0
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138929 52444765 1 SF3O3H9C13 AB3C3D9E13 -227.55 1.53 -9.34 -1.64 0
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138930 52445484 1 SCl2N2C14H18 AB2C2D14E18 23.39 4.05 -8.67 -0.8 -1
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138931 52445869 1 BrClN2O4H13C18 ABC2D4E13F18 -49.81 9.17 0.0 0.0 0
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138932 52445930 1 OSF3H9C16 ABC3D9E16 -110.09 2.46 -8.95 -1.25 0
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138933 52446003 1 NSO7C21H21 ABC7D21E21 -181.74 9.68 -8.73 -1.64 0
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138934 52446098 1 FSO2N3C17H20 ABC2D3E17F20 -52.96 3.9 -8.9 -0.7 0
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138935 52446144 1 OSN3C16H23 ABC3D16E23 -28.27 1.35 -8.81 -0.28 0
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138936 52446256 1 NO3C18H21 AB3C18D21 -98.33 3.69 -8.84 -0.27 -1
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138937 52446296 1 NSF2O2H12C18 ABC2D2E12F18 -47.83 4.91 0.0 0.0 0
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138938 52446335 1 SN3O5C23H31 AB3C5D23E31 -181.18 4.14 -8.62 -1.07 0
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138939 52446412 1 ClO3N4C19H25 AB3C4D19E25 -118.36 3.44 -8.7 -0.53 0
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138940 52446560 1 SN2O4C19H22 AB2C4D19E22 -98.98 4.48 -9.06 -1.19 1
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138941 52446902 1 O2N3C21H34 A2B3C21D34 -70.67 12.03 0.0 0.0 0
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138942 52447501 1 F2O2N3H19C20 A2B2C3D19E20 -125.38 4.62 -8.94 -0.47 0
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138943 52447506 1 F3N3O3H20C21 A3B3C3D20E21 -228.3 3.91 -8.89 -0.46 0
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138944 52447507 1 ClFN4O4H18C20 ABC4D4E18F20 -89.14 5.13 -9.13 -1.42 0
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138945 52447737 1 BrFN3O3C21H21 ABC3D3E21F21 -124.05 3.44 -8.93 -0.3 0
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138946 52447785 1 OSN3F5H16C20 ABC3D5E16F20 -231.78 4.22 -8.86 -0.95 0
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138947 52448105 1 SF3N3O3H18C21 AB3C3D3E18F21 -193.62 2.53 -9.12 -0.88 0
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138948 52448359 1 SN2O3H20C24 AB2C3D20E24 -17.13 5.11 -8.68 -1.17 0
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138949 52448360 1 SN2O2H18C23 AB2C2D18E23 25.1 6.27 -8.7 -1.22 0
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138950 52448361 1 SN2O4H18C24 AB2C4D18E24 -38.66 6.16 -8.35 -1.26 0
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138951 52448469 1 NSO3C17H27 ABC3D17E27 -128.65 3.96 -8.33 0.17 0
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138952 52448470 1 NSO3C17H27 ABC3D17E27 -129.84 4.02 -8.34 0.16 0
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138953 52448471 1 FSO2N3C15H18 ABC2D3E15F18 -102.99 5.18 -8.98 -0.85 0
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138954 52448472 1 NSO3C17H27 ABC3D17E27 -130.46 2.18 -8.28 0.19 0
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138955 52448473 1 FSO2N3C15H18 ABC2D3E15F18 -102.93 5.01 -8.97 -0.85 0
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138956 52448726 1 NCl2O3H13C15 AB2C3D13E15 -94.17 2.17 -9.0 -0.98 0
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138957 52448727 1 NO6C12H13 AB6C12D13 -163.06 7.58 -11.24 -1.82 0
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138958 52448744 1 NSO4C14H21 ABC4D14E21 -166.44 4.6 -9.64 -1.18 0
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138959 52448749 1 SN4O4H14C19 AB4C4D14E19 33.71 7.01 -9.38 -1.42 0
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138960 52448797 1 NO2C16H17 AB2C16D17 -61.14 3.52 -9.28 -0.93 0
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138961 52448803 3 OC6H6 AB6C6 -70.06 3.17 -8.91 -0.58 0
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138962 52448814 1 NO5C18H23 AB5C18D23 -200.92 5.42 -9.9 -1.56 0
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138963 52449741 1 OSN5C14H19 ABC5D14E19 39.97 7.7 -9.37 -0.9 0
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138964 52449941 1 NO5C16H19 AB5C16D19 -193.83 4.86 -9.87 -1.54 0
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138965 52451011 1 FNSO5H20C23 ABCD5E20F23 -179.44 6.87 -9.1 -1.02 0
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138966 52451154 2 NO2C6H9 AB2C6D9 -174.78 5.18 -10.06 -0.1 0
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138967 52451167 1 N2O3C17H20 A2B3C17D20 -75.33 3.07 -8.9 -0.67 0
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138968 52451344 1 SO4N7H19C20 AB4C7D19E20 -49.87 12.26 -9.09 -1.88 0
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138969 52451557 1 N3O4C17H21 A3B4C17D21 -110.49 4.14 -8.4 -0.05 0
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138970 52452574 1 SO2N3C21H25 AB2C3D21E25 -36.05 6.52 -8.51 -0.77 0
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138971 52453104 1 SN3O3C22H25 AB3C3D22E25 -93.59 7.8 -8.8 -0.98 0
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138972 52453105 1 SN3O3C25H25 AB3C3D25E25 -65.14 7.24 -8.92 -1.08 0
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138973 52453112 1 SN3O3C22H25 AB3C3D22E25 -93.85 7.2 -8.78 -0.98 0
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138974 52453336 1 N3O4C24H31 A3B4C24D31 -157.18 5.1 -8.73 -0.33 0
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138975 52453449 1 FN3O3C19H24 AB3C3D19E24 -160.67 5.94 -9.0 -0.23 0
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138976 52453450 1 SN3O4C17H23 AB3C4D17E23 -87.87 5.51 -9.45 -1.57 0
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138977 52453451 1 SN3O4C17H23 AB3C4D17E23 -83.22 8.5 -9.36 -1.61 1
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138978 52453516 1 FO2N3C21H25 AB2C3D21E25 -74.65 3.14 0.0 0.0 1
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138979 52453775 1 N3O3C21H22 A3B3C21D22 -28.53 25.33 0.0 0.0 0
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138980 52453776 1 FN4O4C18H23 AB4C4D18E23 -211.15 3.81 -9.54 -0.05 1
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138981 52453777 1 BrON3C19H23 ABC3D19E23 30.24 4.63 0.0 0.0 1
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138982 52453778 1 ClO2N3C20H25 AB2C3D20E25 -15.03 6.09 0.0 0.0 0
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138983 52453779 1 ClO2N3C20H24 AB2C3D20E24 -41.12 5.08 -8.64 -0.22 1
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138984 52453871 1 ClON3C21H27 ABC3D21E27 2.05 4.31 0.0 0.0 1
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138985 52454364 1 O2N6C21H21 A2B6C21D21 43.02 3.96 0.0 0.0 0
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138986 52455295 1 SN2O4C23H30 AB2C4D23E30 -140.8 2.92 -9.41 -0.78 0
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138987 52455296 1 BrNOC19H22 ABCD19E22 -16.83 3.97 -9.47 -0.24 1
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138988 52455342 1 SO3N4C21H31 AB3C4D21E31 -89.01 2.52 0.0 0.0 0
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138989 52455614 1 SN3O5C23H33 AB3C5D23E33 -170.44 8.26 -8.6 -0.49 0
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138990 52455615 1 FO2N5C21H32 AB2C5D21E32 -132.38 8.51 -9.86 -0.67 0
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138991 52455631 1 N3O4C19H23 A3B4C19D23 -73.29 4.09 -8.97 -0.76 0
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138992 52456214 1 NS2C23H27 AB2C23D27 21.23 3.66 -8.42 -0.46 0
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138993 52456266 3 NOC8H9 ABC8D9 -105.22 4.98 -9.17 -0.66 1
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138994 52456400 1 NO3C16H34 AB3C16D34 -151.48 2.31 0.0 0.0 0
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138995 52456401 1 NO3C16H33 AB3C16D33 -173.59 1.17 -8.46 1.46 1
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138996 52456402 1 NO3C16H34 AB3C16D34 -149.17 3.05 0.0 0.0 0
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138997 52456403 1 NO3C16H33 AB3C16D33 -175.21 1.2 -8.62 1.48 1
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138998 52456404 1 NO3C16H34 AB3C16D34 -156.12 3.4 0.0 0.0 0
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138999 52456405 1 NO3C16H33 AB3C16D33 -177.04 3.29 -8.74 1.73 1
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139000 52456448 1 NO3C21H30 AB3C21D30 -83.87 3.04 0.0 0.0 1
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139001 52456604 1 N3O3C22H30 A3B3C22D30 -59.92 4.05 0.0 0.0 0
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139002 52456605 1 N3O3C22H29 A3B3C22D29 -76.3 5.0 -8.78 -0.56 0
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139003 52456797 1 NSO3C16H17 ABC3D16E17 -99.23 6.29 -9.58 -0.55 -1
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139004 52456798 1 NSO3C16H16 ABC3D16E16 -29.06 1.34 0.0 0.0 0
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139005 52456799 1 NSO3C16H17 ABC3D16E17 -94.12 6.35 -9.75 -0.56 0
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139006 52456845 1 NSO3C17H19 ABC3D17E19 -108.06 6.94 -9.54 -0.44 -1
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139007 52456846 1 NSO3C17H18 ABC3D17E18 -39.83 2.18 0.0 0.0 0
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139008 52457356 1 N3O4C23H29 A3B4C23D29 -139.96 5.48 -8.43 -0.08 0
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139009 52457357 1 N4O5C22H26 A4B5C22D26 -148.02 4.56 -8.23 -0.43 0
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139010 52457358 1 N3O4C18H21 A3B4C18D21 -113.39 2.88 -8.6 -0.12 0
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139011 52457359 1 N3O3C19H27 A3B3C19D27 -121.34 2.93 -8.12 0.14 -1
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139012 52457602 1 ClNSO4H15C17 ABCD4E15F17 -76.69 6.89 0.0 0.0 1