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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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384426 134976965 1 P2C6O7H10 A2B6C7D10 -270.7 4.97 -10.3 -2.07 -4
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384427 134976966 1 N2P3C11H13O15 A2B3C11D13E15 -609.71 1.7 -10.19 -2.18 0
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384428 134976967 1 N2P3C11O15H17 A2B3C11D15E17 -840.63 5.81 -10.3 -0.92 -4
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384429 134976968 1 N2P3C12H15O15 A2B3C12D15E15 -690.61 2.26 -10.03 -2.13 0
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384430 134976969 1 N2P3C12O15H19 A2B3C12D15E19 -840.61 5.12 -9.86 -0.82 0
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384431 134976970 1 NPO2C8H16 ABC2D8E16 -118.26 2.67 -9.4 1.08 0
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384432 134976974 1 OC20H28 AB20C28 -36.96 1.49 -9.21 0.35 0
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384433 134976977 1 OC22H38 AB22C38 -89.7 3.35 -9.08 0.64 0
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384434 134976985 1 O3C17H24 A3B17C24 -93.39 1.06 -8.77 0.22 0
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384435 134976986 4 C2H3 A2B3 48.97 1.52 -8.83 0.08 0
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384436 134976987 2 O2C10H13 A2B10C13 -92.91 6.76 -8.43 -1.55 0
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384437 134976991 1 OSiC17H32 ABC17D32 -118.36 2.15 -9.54 1.34 0
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384438 134976993 1 SiO3C17H26 AB3C17D26 -138.93 2.1 -8.84 0.24 0
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384439 134976996 1 Si3O4C33H58 A3B4C33D58 -194.39 0.69 -8.82 -0.16 0
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384441 134977001 4 SiC9H14 AB9C14 -72.22 2.3 -8.11 0.35 0
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384443 134977003 1 NS2C19H19 AB2C19D19 82.71 5.41 -8.59 -0.91 0
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384444 134977004 1 NS2H15C17 AB2C15D17 96.29 4.11 -8.56 -0.92 0
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384445 134977005 1 OS2H16C25 AB2C16D25 116.53 3.77 -9.15 -1.56 0
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384446 134977006 1 OS3H10C17 AB3C10D17 94.1 2.95 -9.06 -1.8 0
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384447 134977008 1 O3H22C27 A3B22C27 -6.97 4.15 -9.09 -1.7 0
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384448 134977009 1 LiOC17H25 ABC17D25 -37.16 5.02 -6.54 0.18 0
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384449 134977010 1 OC17H26 AB17C26 -56.69 1.47 -8.48 0.4 0
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384450 134977012 1 SN2O3H20C28 AB2C3D20E28 34.07 9.33 -8.37 -0.99 0
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384452 134977015 1 NO3C22H38 AB3C22D38 -75.85 4.28 0.0 0.0 0
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384453 134977017 1 N2O4H14C21 A2B4C14D21 118.0 4.91 -9.78 -2.3 0
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384454 134977018 1 O4C35H46 A4B35C46 -126.37 1.56 -9.26 -0.31 0
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384455 134977019 2 ClC3H3 AB3C3 49.91 2.21 -8.48 -0.39 0
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384456 134977020 4 C2H3 A2B3 60.56 0.76 -8.56 0.19 0
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384457 134977022 1 C17H26 A17B26 -23.3 0.6 -9.2 0.51 0
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384458 134977023 1 LiC11H19 AB11C19 -13.37 6.13 -6.9 3.72 0
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384459 134977024 1 O3C10H12 A3B10C12 -64.38 5.1 -9.51 -0.79 0
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384460 134977025 1 OSiC18H34 ABC18D34 -120.82 0.41 -8.35 1.06 0
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384462 134977029 2 C9H14 A9B14 -11.58 0.41 -8.16 1.06 0
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384463 134977030 3 NC3H5 AB3C5 115.92 3.38 -9.09 1.62 0
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384464 134977031 2 BOF4C14H25 ABC4D14E25 -767.26 27.16 -10.26 -3.74 0
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384465 134977035 1 BN2O2F4H21C23 AB2C2D4E21F23 -272.63 13.66 -9.74 -2.66 0
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384466 134977037 1 IPC17H18 ABC17D18 27.98 7.44 -7.75 -0.19 0
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384467 134977038 1 PO2C17H35 AB2C17D35 -181.2 4.38 -9.35 0.85 0
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384468 134977039 1 PO2C22H37 AB2C22D37 -148.18 4.02 -9.43 0.3 0
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384469 134977041 1 NPSO4H22C25 ABCD4E22F25 -90.51 8.85 -8.94 -0.36 0
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384470 134977042 2 PF3C12H13 AB3C12D13 -420.07 23.54 -9.24 -1.5 1
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384471 134977043 1 PC24H26 AB24C26 54.96 8.32 0.0 0.0 0
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384472 134977044 2 PF3C12H13 AB3C12D13 -427.91 23.29 -9.86 -1.46 1
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384473 134977045 1 PC24H26 AB24C26 53.23 8.37 0.0 0.0 1
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384475 134977048 1 ClNOPSC14H21 ABCDEF14G21 -53.25 6.64 -8.36 -0.93 0
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384476 134977049 1 BrOPC14H30 ABCD14E30 -119.58 6.8 -8.56 0.22 0
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384477 134977050 1 IPO2C17H32 ABC2D17E32 -172.71 7.73 -8.03 0.42 1
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384478 134977054 1 OPSH24C27 ABCD24E27 36.69 5.76 0.0 0.0 0
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384479 134977055 1 ClPO2C22H22 ABC2D22E22 -53.86 4.62 -9.28 -0.24 0
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384480 134977058 1 BrNOPC21H21 ABCDE21F21 11.32 8.5 -8.92 -0.27 0
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384481 134977059 1 BrNPO3H27C29 ABCD3E27F29 -42.35 8.32 -8.8 -0.44 0
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384482 134977061 1 IOPC27H34 ABCD27E34 -24.69 6.56 -7.8 -0.23 0
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384483 134977063 1 IPSeN2C18H26 ABCD2E18F26 12.4 8.95 -8.42 -0.24 0
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384484 134977064 1 ClNOPC17H37 ABCDE17F37 -150.55 7.01 -8.89 0.75 0
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384485 134977071 1 BrPC18H24 ABC18D24 5.66 5.44 -8.39 -0.03 0
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384486 134977072 1 PSF3O3H28C30 ABC3D3E28F30 -204.33 11.42 -9.23 -0.5 0
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384487 134977076 1 NPC21H30 ABC21D30 3.87 2.17 -8.58 0.08 0
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384488 134977077 1 PSF3O3H22C25 ABC3D3E22F25 -213.46 2.45 -8.43 -1.52 0
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384489 134977078 1 PN2C20H29 AB2C20D29 -4.59 0.86 -8.09 0.34 0
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384490 134977079 1 BPC11H13 ABC11D13 135.3 2.55 0.0 0.0 0
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384491 134977081 1 P3C26H41 A3B26C41 -65.5 1.4 -7.5 0.42 0
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384492 134977084 2 SiC15H15 AB15C15 367.45 0.14 -9.05 -1.21 0
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384493 134977087 1 BNPO3F4C6H13 ABCD3E4F6G13 -534.25 14.82 -11.36 -0.54 0
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384494 134977089 1 LiPO6F12C18 ABC6D12E18 -789.97 6.92 -9.86 -1.24 -1
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384495 134977090 1 PO6F12C18 AB6C12D18 -716.61 3.59 0.0 0.0 0
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384496 134977092 4 H4C5 A4B5 292.96 0.06 -9.29 0.24 0
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384497 134977093 1 NPCl4O4C18H20 ABC4D4E18F20 -233.27 5.7 -8.82 -0.86 0
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384501 134977101 2 OSiC11H21 ABC11D21 -170.85 1.91 -8.76 0.56 0
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384502 134977105 1 P2O5C12H28 A2B5C12D28 -380.29 4.55 -10.61 0.61 0
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384503 134977107 1 SN2P2O12C17H20 AB2C2D12E17F20 -601.71 7.76 -9.58 -1.3 0
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384504 134977108 1 P3N8O12C29H63 A3B8C12D29E63 -748.62 8.71 -8.88 0.1 0
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384505 134977109 1 F2P3N8O12C29H61 A2B3C8D12E29F61 -846.23 18.63 -9.08 -0.11 0
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384506 134977111 1 BrP3N5C11O12H17 AB3C5D11E12F17 -631.04 7.35 -9.47 -0.96 0
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384507 134977117 1 PN2Cl3O9C12H14 AB2C3D9E12F14 -467.55 4.82 -9.53 -1.52 0
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384508 134977121 1 C9H14 A9B14 24.51 1.12 -9.17 1.18 0
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384509 134977126 1 O2C15H16 A2B15C16 -8.24 2.45 -9.59 -0.49 0
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384510 134977127 4 H7C8 A7B8 148.24 0.37 -8.54 -0.1 0
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384511 134977128 2 OC7H8 AB7C8 -50.08 1.64 -8.95 0.28 0
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384512 134977133 2 OC11H13 AB11C13 -15.85 3.02 -8.14 -0.24 0
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384513 134977134 1 NSSiO7C43H55 ABCD7E43F55 -174.19 6.94 -8.86 -0.5 0
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384514 134977136 1 N2O3C18H18 A2B3C18D18 36.81 13.41 -8.3 -1.23 0
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384515 134977138 1 SiO4C22H30 AB4C22D30 166.27 6.06 -7.44 -0.73 0
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384516 134977139 1 NSH15C17 ABC15D17 87.59 5.64 -8.77 -0.87 0
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384517 134977140 1 OSi3H48C51 AB3C48D51 119.76 4.79 -8.89 -0.94 0
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384518 134977141 1 OH22C24 AB22C24 41.91 4.02 -8.77 -1.24 0
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384519 134977143 1 NCl2Si2C29H47 AB2C2D29E47 -77.11 4.8 -8.51 -0.57 0
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384520 134977144 1 ON2H18C21 AB2C18D21 61.41 9.32 -8.98 -1.57 0
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384521 134977145 1 FON2H15C17 ABC2D15E17 -2.92 9.3 -9.19 -1.64 0
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384522 134977147 1 OC20H22 AB20C22 -9.75 2.08 -8.88 -0.24 0
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384523 134977148 1 O3C8H8 A3B8C8 -80.65 6.46 -9.01 -0.8 0
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384524 134977154 2 LiC10H18 AB10C18 63.12 19.69 -3.51 -0.55 0
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384525 134977160 1 O3C22H32 A3B22C32 -113.23 1.19 -9.44 0.86 0
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384526 134977162 1 LiPC16H30 ABC16D30 -32.24 6.15 -6.72 3.24 0
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384527 134977163 1 PC16H31 AB16C31 -63.26 1.63 -8.43 3.18 0
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384528 134977165 1 N2S2O3H16C25 A2B2C3D16E25 52.85 9.23 -8.45 -1.08 0
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384530 134977169 1 O3C15H20 A3B15C20 -31.98 4.6 -9.55 0.66 0
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384531 134977171 1 NO2H11C12 AB2C11D12 8.91 7.99 -8.47 -1.11 0
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384532 134977172 2 LiC6H7 AB6C7 50.58 8.15 -6.38 1.83 0
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384533 134977173 4 C3H4 A3B4 -0.79 0.04 -9.01 1.44 0
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384534 134977174 1 LiPC17H26 ABC17D26 99.95 20.79 -2.97 -1.06 0