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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46299 10523783 1 NSO4C20H29 ABC4D20E29 -156.66 4.29 -8.62 -0.46 0
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46300 10523791 1 ClNOC23H38 ABCD23E38 -116.88 7.2 -8.72 0.18 0
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46301 10523794 1 BrNO4C17H18 ABC4D17E18 -112.22 3.27 -9.4 -0.71 0
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46302 10523795 1 IN2C17H21 AB2C17D21 80.68 6.54 -7.21 -0.96 1
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46303 10523796 1 N2C17H21 A2B17C21 59.34 2.62 0.0 0.0 0
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46304 10523803 2 O3H10C11 A3B10C11 -188.08 4.52 -9.4 -1.66 0
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46305 10523808 4 NOC5H5 ABC5D5 -86.41 5.8 -8.48 -0.68 0
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46306 10523815 1 O7C20H28 A7B20C28 -317.28 2.68 -10.3 -1.03 0
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46307 10523817 1 O5C23H24 A5B23C24 -169.56 4.16 -8.82 -0.31 0
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46308 10523819 2 NO2C11H12 AB2C11D12 -117.92 7.68 -9.1 -0.92 0
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46309 10523823 2 NO2C11H12 AB2C11D12 -117.76 3.33 -9.63 -0.04 0
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46310 10523826 2 ON3C10H12 AB3C10D12 66.94 10.35 -8.81 -0.72 0
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46311 10523827 1 SO6C19H24 AB6C19D24 -219.47 6.12 -8.98 -0.64 0
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46312 10523828 1 FPN2O2S3C13H18 ABC2D2E3F13G18 -147.96 2.83 -8.86 -0.92 0
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46313 10523835 1 N2O3C23H28 A2B3C23D28 -75.34 3.37 -8.85 -0.43 0
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46314 10523845 1 OC28H28 AB28C28 27.72 3.55 -8.51 -0.47 0
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46315 10523854 1 HNSI2O2C4 ABCD2E2F4 60.63 4.36 -9.88 -2.09 0
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46317 10523869 1 NO10C15H27 AB10C15D27 -471.76 3.74 -9.91 0.91 0
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46318 10523871 1 NO6H19C21 AB6C19D21 -169.69 2.3 -8.4 -0.09 0
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46319 10523872 1 N3O7C17H23 A3B7C17D23 -308.45 4.71 -8.55 -0.08 0
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46320 10523876 1 N3O5H19C20 A3B5C19D20 -45.73 3.31 -9.55 -1.77 0
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46321 10523880 1 NSF3O4C16H22 ABC3D4E16F22 -306.58 3.36 -8.63 -1.57 0
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46322 10523882 1 NO5C22H23 AB5C22D23 -129.31 6.49 -8.28 -0.53 0
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46323 10523883 1 NO5C22H23 AB5C22D23 -133.51 2.61 -8.27 0.03 0
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46324 10523886 1 NO5C22H23 AB5C22D23 -142.22 4.48 -8.76 -0.07 0
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46325 10523890 1 N3O4C21H23 A3B4C21D23 -93.97 4.74 -9.2 -0.95 0
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46326 10523891 1 N3O4C21H23 A3B4C21D23 57.67 6.25 -8.42 -0.24 0
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46327 10523900 1 NO4C23H27 AB4C23D27 -50.85 4.25 -8.51 0.2 0
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46328 10523902 1 FSN3O3C18H24 ABC3D3E18F24 -144.01 6.78 -8.84 -0.3 0
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46329 10523908 1 N3O3C22H27 A3B3C22D27 -23.04 1.23 -8.86 -0.74 0
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46330 10523909 1 N5H23C24 A5B23C24 114.4 2.56 -8.7 -0.46 0
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46331 10523915 1 OSN3C22H27 ABC3D22E27 10.9 6.32 -8.42 0.04 0
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46332 10523918 1 NS2O3C19H27 AB2C3D19E27 -73.48 2.49 -8.48 -0.16 0
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46333 10523921 1 N2Cl3O5H11C13 A2B3C5D11E13 -180.36 4.47 -10.07 -1.42 0
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46334 10523922 1 NOC26H39 ABC26D39 -43.05 3.2 -8.47 -0.01 0
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46335 10523924 1 ClFN3O3C18H21 ABC3D3E18F21 -137.52 11.86 -9.03 -1.75 0
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46336 10523936 1 BrNO3H12C19 ABC3D12E19 13.91 4.6 -9.67 -1.64 0
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46337 10523940 1 BrFNOSC17H17 ABCDEF17G17 -45.79 3.29 -9.1 -0.96 0
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46338 10523941 1 PN2O7C16H19 AB2C7D16E19 -251.93 7.92 -9.2 -0.98 0
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46339 10523945 1 PSN2O8C12H19 ABC2D8E12F19 -401.28 1.65 -9.64 -0.88 0
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46340 10523962 1 O5C23H26 A5B23C26 -200.07 9.48 -9.06 -0.7 0
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46341 10523969 1 O3N4C21H26 A3B4C21D26 -77.21 5.88 -7.94 -0.32 0
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46342 10523970 1 ON4H22C24 AB4C22D24 70.9 0.69 -9.23 -0.86 0
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46343 10523971 1 ON4H22C24 AB4C22D24 63.41 4.77 -9.17 -0.8 0
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46344 10523975 1 SiN2O6C17H26 AB2C6D17E26 -316.95 5.26 -9.52 -0.62 0
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46345 10523976 2 O2C12H15 A2B12C15 -161.16 1.43 -9.39 0.17 0
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46346 10523977 1 ON2C26H26 AB2C26D26 50.62 2.65 -8.47 -0.16 0
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46347 10523981 1 SN2O2C22H26 AB2C2D22E26 -23.59 5.55 -9.01 -0.39 0
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46348 10523983 1 SiO6C19H30 AB6C19D30 -280.35 3.4 -8.31 -0.3 0
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46349 10523994 1 SiO2C24H34 AB2C24D34 -108.64 1.78 -8.69 0.03 0
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46350 10524001 1 ClSO5C18H19 ABC5D18E19 -180.93 7.29 -8.43 -0.82 0
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46351 10524002 1 ClOSN2H19C21 ABCD2E19F21 24.42 6.1 -8.91 -1.03 0
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46352 10524009 1 BrSiO6C13H23 ABC6D13E23 -326.45 5.47 -9.15 -1.56 0
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46353 10524015 1 NS2O7C11H15 AB2C7D11E15 -241.84 7.4 -9.8 -1.62 0
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46354 10524021 1 F2N3O4C18H23 A2B3C4D18E23 -226.79 3.9 -10.1 -0.6 0
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46355 10524023 1 NS2O9C12H17 AB2C9D12E17 -355.51 2.43 -9.87 -1.34 0
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46356 10524029 1 NO5C22H25 AB5C22D25 -158.36 5.19 -9.01 -0.01 0
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46357 10524040 1 NPO3C21H38 ABC3D21E38 -213.45 1.23 -8.65 0.36 0
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46358 10524049 1 FSN2C11H11 ABC2D11E11 6.93 1.53 -9.24 -1.18 0
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46359 10524050 2 BrOC7H12 ABC7D12 -137.37 3.41 -10.35 -0.98 0
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46361 10524068 2 O3C11H12 A3B11C12 -210.27 0.75 -9.55 -0.15 0
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46362 10524071 1 N2O5C21H24 A2B5C21D24 -111.01 4.42 -8.78 -1.69 0
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46363 10524081 1 SN2O2H16C23 AB2C2D16E23 38.72 5.52 -8.79 -1.0 0
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46364 10524084 1 O7C20H32 A7B20C32 -327.3 2.93 -9.7 1.2 0
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46365 10524090 1 N2O2H24C25 A2B2C24D25 5.49 3.98 -9.19 -0.6 0
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46366 10524094 1 SN4O4C17H28 AB4C4D17E28 -103.09 7.46 -9.64 -0.44 0
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46367 10524100 1 N2O5C20H36 A2B5C20D36 -292.0 2.48 -9.12 0.37 0
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46368 10524106 1 SiO3N4C18H36 AB3C4D18E36 -174.76 3.25 -9.0 0.03 0
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46369 10524107 1 N2O3C22H44 A2B3C22D44 -222.33 7.36 -10.02 0.46 0
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46370 10524112 1 Si2O3C20H40 A2B3C20D40 -254.44 1.19 -8.8 0.63 0
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46371 10524113 1 OSiC24H52 ABC24D52 -205.16 1.64 -9.03 1.39 0
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46372 10524115 1 ClO6C19H25 AB6C19D25 -280.75 3.04 -9.14 -0.22 0
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46373 10524125 1 PF2O4N5C14H14 AB2C4D5E14F14 -242.1 9.89 -9.24 -0.85 0
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46374 10524127 1 NO7H19C20 AB7C19D20 -232.46 1.14 -8.94 -1.23 0
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46375 10524134 1 SN3O6C16H23 AB3C6D16E23 -168.85 5.79 -9.37 -0.7 0
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46376 10524135 1 NO5C22H27 AB5C22D27 -158.91 3.25 -8.57 -0.82 0
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46377 10524136 1 N3O6C18H31 A3B6C18D31 -309.87 4.03 -9.92 -0.02 0
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46378 10524146 1 NO4C23H31 AB4C23D31 -183.21 1.17 -9.37 0.23 0
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46379 10524151 1 NS2O3H19C20 AB2C3D19E20 -51.09 1.95 -8.96 -0.62 0
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46380 10524152 1 O2N5C21H31 A2B5C21D31 -73.22 4.13 -7.93 0.07 0
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46381 10524153 1 NSO3C22H27 ABC3D22E27 -111.8 1.5 -9.45 -0.9 0
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46382 10524155 1 NSiO4C21H27 ABC4D21E27 -169.74 6.14 -9.22 -0.81 0
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46383 10524160 1 NSO2C23H31 ABC2D23E31 -63.55 3.75 -8.06 -0.06 0
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46384 10524165 1 N2O2Cl3H15C17 A2B2C3D15E17 -26.9 5.97 -9.26 -1.01 0
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46385 10524173 1 BrNO3F6C10H10 ABC3D6E10F10 -430.67 5.93 -10.47 -1.32 0
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46386 10524181 2 N2O3C9H9 A2B3C9D9 -53.65 1.93 -8.85 -2.86 0
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46387 10524185 1 O7C21H22 A7B21C22 -236.95 6.24 -9.55 -0.95 0
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46388 10524186 1 O5H18C24 A5B18C24 -85.32 1.93 -8.49 -0.33 0
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46389 10524198 1 O4H22C25 A4B22C25 -103.29 3.58 -8.95 -0.77 0
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46390 10524207 1 O2N4H22C23 A2B4C22D23 68.62 4.12 -9.33 -0.08 0
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46391 10524210 1 SN2O6C17H26 AB2C6D17E26 -267.16 3.42 -9.18 -0.34 0
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46392 10524216 1 O5C23H30 A5B23C30 -239.72 3.67 -9.74 -0.03 0
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46393 10524223 1 SO6C19H30 AB6C19D30 -263.06 2.91 -9.43 0.08 0
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46394 10524225 1 SN2O3C21H26 AB2C3D21E26 -76.91 4.53 -8.59 -0.66 0
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46395 10524228 1 N2O5C20H38 A2B5C20D38 -288.41 1.85 -9.25 0.36 0
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46396 10524240 1 ClN2O4H19C20 AB2C4D19E20 -122.04 3.24 -9.03 -0.92 0
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46397 10524241 1 O3Cl6H6C10 A3B6C6D10 -88.78 2.01 -9.94 -1.63 0
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46398 10524245 1 BrFN2O3C16H20 ABC2D3E16F20 -179.37 4.04 -9.7 -0.62 0
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46399 10524247 1 Cl2O5C18H20 A2B5C18D20 -175.77 4.23 -8.63 -0.47 0
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46402 10524267 1 N3O3H21C23 A3B3C21D23 -31.35 5.35 -8.23 -1.66 0