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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48369 10541045 1 O3C18H20 A3B18C20 -78.13 2.59 -8.91 -0.27 0
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48370 10541204 1 O5C15H26 A5B15C26 -243.04 3.5 -9.91 -0.05 0
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48371 10541384 1 O2C19H28 A2B19C28 -94.3 0.79 -8.46 0.21 0
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48372 10541528 1 N8C13H22 A8B13C22 114.24 3.98 -7.78 -0.87 0
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48373 10541545 2 C11H13 A11B13 28.18 0.63 -8.77 0.51 0
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48374 10541599 1 N5C17H17 A5B17C17 108.62 4.47 -8.66 -1.14 0
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48375 10541718 1 ClN2O2C15H17 AB2C2D15E17 -60.9 3.79 -9.66 -0.8 0
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48376 10542493 1 NOSiC18H29 ABCD18E29 -84.41 3.39 -8.83 0.22 0
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48377 10542511 1 NCl2O2C14H19 AB2C2D14E19 -107.04 3.86 -9.87 -0.32 0
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48378 10542756 1 NO5C16H21 AB5C16D21 -215.44 2.12 -9.64 -0.07 0
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48379 10542759 1 NO3H17C19 AB3C17D19 -49.0 3.88 -8.68 -1.34 0
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48380 10542929 1 NOC21H27 ABC21D27 -19.77 2.22 -8.61 0.13 0
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48381 10542932 1 NSC20H23 ABC20D23 34.77 4.81 -8.27 0.01 0
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48382 10543026 1 ClN2C19H19 AB2C19D19 47.24 4.83 -7.89 -0.15 0
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48383 10543232 1 ClNO2H16C18 ABC2D16E18 -45.55 4.09 -9.11 -1.48 0
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48384 10543328 1 N3O6H9C14 A3B6C9D14 15.48 4.95 -10.87 -2.2 0
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48385 10543345 1 NO6C15H25 AB6C15D25 -261.25 0.75 -9.43 0.4 0
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48386 10543655 1 NO2F3H12C14 AB2C3D12E14 -185.02 4.66 -9.19 -1.28 0
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48387 10543715 1 O3C20H32 A3B20C32 -152.42 1.12 -9.85 0.4 0
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48388 10543859 1 ON2C21H26 AB2C21D26 -16.56 3.8 -8.39 0.37 0
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48389 10543862 1 SO3C18H26 AB3C18D26 -133.64 9.11 -9.13 0.22 0
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48390 10544003 1 SiO3C18H32 AB3C18D32 -194.0 2.5 -8.56 0.59 0
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48391 10544018 1 NF3O3H14C16 AB3C3D14E16 -248.9 5.89 -9.01 -1.16 0
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48392 10544157 1 BrO3N4C11H11 AB3C4D11E11 -82.34 2.69 -9.51 -1.12 0
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48393 10544220 1 ClFO3N5H11C12 ABC3D5E11F12 -95.89 0.41 -9.2 -0.65 0
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48394 10544255 2 NO2C9H10 AB2C9D10 -76.24 3.92 -8.94 -0.22 0
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48395 10544421 1 N2O3C19H26 A2B3C19D26 -80.21 1.12 -8.65 0.21 0
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48396 10544427 1 SO3C19H22 AB3C19D22 -105.56 2.52 -8.79 -0.12 0
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48397 10544430 3 OC7H10 AB7C10 -97.13 5.52 -9.01 0.52 0
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48398 10544442 1 SiO4C17H34 AB4C17D34 -226.34 4.57 -9.56 0.56 0
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48399 10544508 1 NO4C18H37 AB4C18D37 -181.81 4.68 -10.68 -0.74 1
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48400 10544607 1 N2O4C12H17 A2B4C12D17 -38.11 8.19 0.0 0.0 0
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48401 10544708 1 N2O2C21H22 A2B2C21D22 -12.94 1.53 -8.43 -0.37 0
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48402 10544853 1 N2O2C21H24 A2B2C21D24 -33.87 1.52 -8.21 0.16 0
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48403 10544854 1 N2O2C21H24 A2B2C21D24 -14.08 4.71 -8.07 0.1 0
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48404 10544884 1 ClOSN2F3H12C13 ABCD2E3F12G13 -152.46 4.05 -8.93 -1.55 0
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48406 10544988 1 N2O3C20H22 A2B3C20D22 -78.42 6.58 -8.52 -0.47 0
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48407 10545092 1 O6H16C19 A6B16C19 -200.55 8.19 -9.64 -1.04 0
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48408 10545130 1 ON4C20H28 AB4C20D28 27.26 6.54 -8.66 0.42 0
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48409 10545323 1 SN3O5C14H21 AB3C5D14E21 -213.56 7.87 -10.08 -0.71 0
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48410 10545335 1 SN3H17C21 AB3C17D21 141.98 9.74 -8.71 -0.8 0
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48411 10545449 1 BrOC19H21 ABC19D21 -30.29 3.48 -9.12 -0.14 0
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48412 10545479 1 NO4C20H27 AB4C20D27 -174.35 3.15 -9.7 -0.5 0
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48413 10545510 2 BrOH5C6 ABC5D6 -18.07 2.72 -8.77 -1.17 1
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48414 10545513 1 O2N4C13H15 A2B4C13D15 25.31 2.78 0.0 0.0 0
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48415 10545521 1 O2F7H13C14 A2B7C13D14 -414.35 3.83 -8.96 -0.01 0
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48416 10545522 1 BrN3C17H20 AB3C17D20 37.47 4.34 -8.56 -0.25 0
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48417 10545976 1 F3N3O5C13H18 A3B3C5D13E18 -364.91 7.46 -10.0 -0.73 0
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48418 10546381 1 FNSO3H18C19 ABCD3E18F19 -120.14 8.63 -8.81 -0.99 0
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48419 10546717 1 O7C19H24 A7B19C24 -269.8 3.79 -8.66 -0.47 0
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48420 10547205 1 SN3O3C19H21 AB3C3D19E21 -46.11 4.37 -9.27 -0.33 0
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48421 10547206 1 SN3O3C19H21 AB3C3D19E21 -48.4 8.05 -9.15 -0.82 0
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48422 10547208 1 NO2C25H25 AB2C25D25 -14.22 6.98 -8.53 -0.46 0
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48423 10547211 1 NO2C25H25 AB2C25D25 -26.5 5.83 -9.13 -0.72 0
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48424 10547649 1 BrNO2C19H24 ABC2D19E24 -49.12 1.16 -8.44 -0.35 0
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48425 10547692 1 SiO7C17H34 AB7C17D34 -375.13 1.61 -9.0 0.22 0
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48426 10547769 1 ClSN3O4H14C16 ABC3D4E14F16 -37.55 8.61 -8.99 -2.0 0
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48427 10547802 1 SiO5N6C14H20 AB5C6D14E20 -72.57 8.1 -9.92 -1.86 0
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48428 10547822 1 O5C22H36 A5B22C36 -142.99 3.12 -8.62 0.32 0
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48429 10547910 1 SCl2O2N3H13C16 AB2C2D3E13F16 -7.46 7.35 -9.14 -0.97 0
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48430 10547926 1 N2O5C21H22 A2B5C21D22 -138.68 2.53 -8.37 -0.03 0
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48431 10547994 1 N3O4C21H25 A3B4C21D25 -82.8 3.73 -9.38 -1.03 0
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48432 10548010 1 NO3C24H33 AB3C24D33 -106.93 3.22 -8.19 0.27 0
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48433 10548140 1 SN3O3C20H23 AB3C3D20E23 -53.88 5.14 -8.64 -0.51 0
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48434 10548534 1 FNO3C24H24 ABC3D24E24 -105.85 5.72 -8.98 -0.44 0
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48435 10548608 1 NO6C21H31 AB6C21D31 -290.94 4.43 -9.06 -0.13 0
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48436 10548624 1 NSiO4C21H35 ABC4D21E35 -246.07 6.62 -9.29 -0.32 0
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48437 10548819 1 OSSeN2H14C19 ABCD2E14F19 84.61 3.2 -9.02 -1.13 0
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48438 10548962 1 ClS2N3O4H14C15 AB2C3D4E14F15 -102.93 6.15 -8.35 -0.95 0
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48439 10549376 1 FN3O5C20H26 AB3C5D20E26 -261.71 8.04 -9.21 -1.13 0
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48440 10584659 1 O3C12H20 A3B12C20 -152.17 2.95 -9.81 0.53 0
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48441 10584660 1 O3C12H20 A3B12C20 -144.52 3.44 -10.13 -0.19 0
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48442 10584661 1 O3C12H20 A3B12C20 -170.28 7.24 -10.6 -0.05 0
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48443 10584663 1 N2O2C11H20 A2B2C11D20 -113.3 3.6 -9.59 -0.19 0
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48444 10584664 1 O2S2H8C9 A2B2C8D9 6.49 1.42 -8.32 -0.85 0
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48445 10584665 2 NC7H8 AB7C8 41.77 2.02 -8.6 0.0 0
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48446 10584672 1 N2C13H28 A2B13C28 -36.52 2.27 -8.04 2.6 0
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48447 10584680 1 ClOC12H17 ABC12D17 -50.28 2.86 -8.87 0.25 0
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48448 10584685 1 BNO3C10H20 ABC3D10E20 -206.93 4.55 -9.46 0.94 0
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48449 10584790 1 NOC14H17 ABC14D17 12.4 4.43 -9.21 0.46 0
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48450 10584859 1 SeC10H18 AB10C18 5.72 1.51 -8.24 0.28 0
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48451 10584860 1 NO5C9H15 AB5C9D15 -227.21 1.42 -9.86 0.7 0
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48452 10584890 1 FPO3C9H12 ABC3D9E12 -213.38 0.82 -9.53 -0.04 0
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48453 10584897 1 N2O3H10C11 A2B3C10D11 -69.67 4.93 -10.15 -0.38 0
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48454 10584900 1 ON6C9H10 AB6C9D10 46.14 2.86 -8.2 -0.52 0
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48455 10584905 1 O3C13H14 A3B13C14 -85.86 2.07 -9.65 -0.08 0
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48456 10584935 1 OC15H22 AB15C22 -18.87 2.92 -9.68 0.55 0
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48457 10584950 1 NOH9C15 ABC9D15 41.27 3.55 -8.5 -1.04 0
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48458 10584980 1 ClNOF2H8C9 ABCD2E8F9 -104.86 5.03 -9.1 -1.06 0
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48459 10584981 1 ClNO3C9H14 ABC3D9E14 -161.09 5.41 -10.12 -0.48 0
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48460 10584982 1 BrNO3C6H6 ABC3D6E6 -73.85 1.76 -10.63 -0.88 0
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48461 10585243 1 OC16H16 AB16C16 70.6 4.78 -8.97 -0.64 0
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48462 10585443 4 OC3H5 AB3C5 -183.71 2.24 -10.19 0.74 0
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48463 10585611 1 NO4C11H21 AB4C11D21 -205.01 2.06 -9.44 1.15 0
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48464 10585673 1 O2C15H20 A2B15C20 -77.74 6.26 -9.62 0.74 0
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48465 10585675 1 O2C15H20 A2B15C20 -79.52 4.01 -9.26 0.47 0
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48466 10585676 1 ON2C14H20 AB2C14D20 -24.66 5.4 -8.63 -0.56 0
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48467 10585678 1 ON2C14H20 AB2C14D20 -2.03 2.11 -9.24 0.22 0
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48468 10585679 2 NOSC4H6 ABCD4E6 -53.06 5.67 -9.32 -0.7 0
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48469 10586049 1 SiO2C13H22 AB2C13D22 -87.93 1.19 -9.9 0.86 0