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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407360 135079909 1 OK2N2C47H62 AB2C2D47E62 -128.81 2.16 -6.5 0.58 -2
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407362 135079940 1 ClN2S2O6C14H15 AB2C2D6E14F15 -28.3 15.43 -8.99 -2.91 0
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407363 135079941 1 ON2C12H14 AB2C12D14 18.34 6.18 -8.35 -0.25 0
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407364 135079942 1 FNO5H26C28 ABC5D26E28 -134.76 1.47 -8.63 -0.69 0
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407365 135079943 1 FNO3H22C26 ABC3D22E26 -61.02 6.29 -9.28 -0.54 0
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407366 135079944 1 NOC15H25 ABC15D25 -27.89 3.73 -8.67 0.45 0
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407367 135079945 1 NOC13H21 ABC13D21 -7.95 3.96 -8.72 0.35 0
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407368 135079946 1 PN2O2C16H17 AB2C2D16E17 -14.3 3.47 -9.04 -0.64 1
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407369 135079947 1 PN2O2C16H18 AB2C2D16E18 -2.75 2.71 0.0 0.0 0
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407370 135079948 1 PN2O2S2H17C18 AB2C2D2E17F18 13.78 3.49 -8.73 -0.9 1
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407371 135079949 1 PN2O2S2C18H18 AB2C2D2E18F18 29.19 1.84 0.0 0.0 0
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407372 135079950 1 NPO4C17H24 ABC4D17E24 -191.32 5.82 -9.4 -0.34 0
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407373 135079951 2 OH11C12 AB11C12 4.33 4.85 -9.21 -0.39 0
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407374 135079952 2 OC8H11 AB8C11 -71.79 4.41 -9.15 -0.25 0
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407375 135079953 1 NSO2C20H21 ABC2D20E21 29.28 5.39 -9.23 -0.43 0
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407376 135079954 1 N2O9H52C54 A2B9C52D54 -138.34 2.39 -9.05 -1.81 0
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407377 135079955 1 NO3C14H25 AB3C14D25 -169.58 3.74 -9.59 0.64 0
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407378 135079956 1 NO3C24H29 AB3C24D29 -100.4 3.75 -9.43 0.2 0
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407379 135079958 1 SiO3C11H22 AB3C11D22 -198.69 1.97 -9.24 0.71 0
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407380 135079959 1 O5H10C14 A5B10C14 -147.7 3.2 -9.15 -0.9 0
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407381 135079960 1 ON2C27H34 AB2C27D34 32.21 10.27 -9.39 -0.44 0
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407382 135079961 1 N2O3C32H42 A2B3C32D42 -46.95 7.73 -8.92 -0.08 0
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407383 135079964 2 OH10C11 AB10C11 95.35 1.45 -8.81 -0.36 0
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407384 135079967 2 O2C7H10 A2B7C10 -144.91 0.46 -9.07 0.26 0
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407385 135079968 1 SiO6C49H66 AB6C49D66 -247.72 5.21 -8.7 0.22 0
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407386 135079969 1 NO2C20H23 AB2C20D23 -17.71 2.02 -8.23 -0.13 0
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407387 135079970 1 NF3O3C24H28 AB3C3D24E28 -215.89 2.85 -8.7 -0.68 0
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407388 135079977 1 H14C15 A14B15 57.01 1.23 -8.51 -0.48 0
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407389 135079978 1 N2O6H16C17 A2B6C16D17 -90.53 5.1 -9.33 -1.57 0
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407390 135079993 1 BSiO3F4C45H53 ABC3D4E45F53 -362.53 1.62 -8.85 -0.46 0
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407391 135079999 1 SiO4C25H38 AB4C25D38 -216.48 1.31 -8.52 0.0 0
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407392 135080000 1 SnN2O2C17H32 AB2C2D17E32 -48.24 2.47 -9.6 -0.74 0
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407393 135080010 1 ON2C26H28 AB2C26D28 29.21 3.67 -8.49 -0.01 0
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407394 135080017 1 NO3C16H23 AB3C16D23 -142.57 4.57 -8.77 -0.08 0
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407396 135080022 1 NO2H11C13 AB2C11D13 111.57 2.17 -6.7 -4.94 0
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407397 135080023 1 ClNO2H14C16 ABC2D14E16 -44.09 2.08 -9.55 -0.9 0
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407398 135080024 1 INOC12H14 ABCD12E14 -0.09 4.37 -9.53 -1.11 0
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407399 135080025 1 ClNSO4H10C11 ABCD4E10F11 -95.49 4.58 -9.29 -1.25 0
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407400 135080026 1 SN2O4H10C12 AB2C4D10E12 -53.69 5.05 -9.69 -1.62 0
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407401 135080027 1 NSO4H15C17 ABC4D15E17 -69.66 6.95 -9.06 -0.85 0
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407402 135080028 1 BrON2H15C17 ABC2D15E17 47.59 5.74 -9.05 -0.53 0
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407403 135080029 1 ClFN2H12C16 ABC2D12E16 27.72 5.42 -8.91 -0.69 0
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407404 135080031 1 ON2H4F6C12 AB2C4D6E12 -242.23 5.13 -10.21 -2.12 0
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407405 135080032 1 N2F3H11C12 A2B3C11D12 -105.89 5.51 -9.43 -0.85 0
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407406 135080033 1 O3C13H14 A3B13C14 -85.31 4.65 -9.81 -0.58 0
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407407 135080034 1 BrO4C17H23 AB4C17D23 -153.92 1.6 -9.71 -0.2 0
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407408 135080035 1 NO4C21H23 AB4C21D23 -109.54 1.14 -8.92 -0.96 0
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407409 135080036 1 NO4C21H23 AB4C21D23 -108.48 3.25 -8.41 -0.74 0
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407410 135080037 1 OSiN2C15H30 ABC2D15E30 -110.62 1.53 -8.72 1.13 1
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407411 135080038 1 NO2C13H18 AB2C13D18 -48.88 1.65 0.0 0.0 0
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407412 135080039 1 NO2C13H17 AB2C13D17 -48.46 2.47 -8.01 0.25 0
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407413 135080040 1 NSiO2C24H31 ABC2D24E31 -67.33 2.84 -8.7 -0.63 0
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407414 135080041 2 OC4H6 AB4C6 -64.65 1.95 -10.4 0.76 0
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407415 135080042 1 BrN3H6C8 AB3C6D8 96.92 4.37 -9.28 -0.87 0
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407416 135080043 1 NO3C10H11 AB3C10D11 -15.03 4.25 -9.23 -1.03 0
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407417 135080044 1 N2C17H22 A2B17C22 84.2 3.23 -8.22 -0.13 0
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407418 135080045 1 NO7C16H17 AB7C16D17 -265.5 4.55 -10.08 -0.96 0
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407419 135080046 1 N2O5C17H20 A2B5C17D20 -153.01 1.99 -8.74 -0.46 0
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407420 135080049 1 N3H13C14 A3B13C14 124.95 3.83 -9.43 -0.98 0
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407421 135080053 1 SO3N4C12H12 AB3C4D12E12 51.77 6.07 -8.68 -1.65 0
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407422 135080077 1 NOC19H21 ABC19D21 28.04 1.89 -9.08 -0.15 0
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407423 135080080 1 BrO2C20H29 AB2C20D29 -95.91 2.38 -9.07 -0.83 0
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407424 135080081 1 BrO2C24H31 AB2C24D31 -86.66 2.45 -9.06 -0.78 0
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407425 135080082 1 O7C22H24 A7B22C24 -223.59 1.27 -9.09 -0.98 0
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407426 135080083 1 OC20H28 AB20C28 0.72 3.01 -9.21 0.06 0
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407427 135080084 1 NO3C30H35 AB3C30D35 -75.88 2.04 -9.19 0.11 0
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407428 135080085 1 NO3C36H45 AB3C36D45 -96.48 1.83 -9.3 0.04 0
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407429 135080086 1 O3C22H28 A3B22C28 -122.46 7.93 -9.22 -0.38 0
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407430 135080087 1 BrNSH10C14 ABCD10E14 72.93 2.36 -8.66 -1.1 0
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407431 135080088 1 NCl3H10C14 AB3C10D14 38.72 3.05 -9.14 -0.7 0
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407432 135080093 1 NOC16H17 ABC16D17 15.63 1.91 -8.28 -0.43 0
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407433 135080094 1 SN2O3C14H14 AB2C3D14E14 -37.48 5.28 -9.05 -0.86 0
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407434 135080095 1 NO4C17H25 AB4C17D25 -185.92 3.83 -8.94 -0.09 0
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407435 135080097 1 IO2C12H15 AB2C12D15 -41.32 3.77 -9.61 -0.77 0
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407436 135080098 1 SiO2C13H26 AB2C13D26 -150.87 2.67 -8.98 -0.22 0
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407437 135080099 1 IN2O5H13C16 AB2C5D13E16 -34.03 6.51 -9.47 -1.86 0
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407438 135080102 1 NO3C12H17 AB3C12D17 -123.09 1.61 -9.29 -0.37 0
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407439 135080103 1 N3O4H23C26 A3B4C23D26 -46.12 5.78 -9.23 -1.01 0
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407440 135080104 1 NCl2O4C14H17 AB2C4D14E17 -151.15 3.77 -8.58 -0.23 0
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407441 135080105 1 NC14H15 AB14C15 60.24 4.47 -9.44 -0.5 0
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407442 135080107 1 BrNC17H18 ABC17D18 57.94 1.75 -8.57 0.07 0
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407443 135080108 1 BrFNH15C16 ABCD15E16 23.8 3.55 -8.96 -0.37 0
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407444 135080126 1 NO5C34H35 AB5C34D35 -119.88 3.52 -8.74 -0.34 0
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407445 135080138 1 NF3O5H16C18 AB3C5D16E18 -268.93 6.12 -8.92 -1.11 0
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407446 135080141 1 SO2N3C11H11 AB2C3D11E11 -10.56 4.66 -8.92 -0.91 0
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407447 135080149 3 OC4H4 AB4C4 -75.51 2.25 -10.02 -0.57 0
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407448 135080152 1 BrOF3H8C11 ABC3D8E11 -136.24 5.77 -8.99 -1.27 0
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407449 135080156 1 PSO2C9H17 ABC2D9E17 -128.91 2.27 -9.12 0.59 0
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407450 135080166 1 N2O2C13H16 A2B2C13D16 -55.04 4.52 -8.93 -0.34 0
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407451 135080167 2 NH6C7 AB6C7 63.54 4.42 -8.54 -0.32 0
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407452 135080168 1 OF3C11H11 AB3C11D11 -180.92 3.88 -10.24 -0.7 0
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407453 135080169 2 OC6H6 AB6C6 -25.13 3.98 -9.78 -0.18 0
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407454 135080170 1 SiCl2C12H20 AB2C12D20 -48.08 1.75 -9.2 -0.09 0
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407455 135080171 1 OBr2N3H7C12 AB2C3D7E12 45.07 3.0 -9.44 -1.88 0
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407456 135080172 1 FOC10H17 ABC10D17 -108.01 1.54 -9.99 0.92 0
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407457 135080173 1 Cl2O2C9H16 A2B2C9D16 -144.12 0.9 -10.05 -0.14 0
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407458 135080174 1 FO2C9H15 AB2C9D15 -152.46 3.22 -10.21 0.44 0
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407459 135080175 1 FNO4C9H12 ABC4D9E12 -175.33 1.59 -10.32 -0.15 0
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407460 135080176 1 FNO3C10H12 ABC3D10E12 -155.34 2.52 -10.3 -0.4 0
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407461 135080177 1 SiO2C14H28 AB2C14D28 -164.53 3.61 -8.57 1.09 0