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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133411 51523108 1 N2O2C10H11 A2B2C10D11 -35.71 7.75 0.0 0.0 0
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133412 51523587 1 SO3N6C23H36 AB3C6D23E36 -105.14 4.67 -9.15 -0.82 1
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133413 51523588 1 ON3C19H36 AB3C19D36 -49.82 4.06 0.0 0.0 1
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133414 51523593 1 ON3C17H36 AB3C17D36 -68.79 2.82 0.0 0.0 1
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133415 51523705 1 FO3N4C29H52 AB3C4D29E52 -137.45 19.4 0.0 0.0 -1
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133416 51524396 1 S2N3O5H16C22 A2B3C5D16E22 -61.14 5.06 0.0 0.0 -1
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133417 51524397 1 ON3H10C17 AB3C10D17 131.89 2.38 0.0 0.0 -2
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133418 51524460 1 N4O4H10C11 A4B4C10D11 -107.16 3.53 -10.65 -1.78 -1
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133419 51524867 1 N2O3H9C14 A2B3C9D14 16.99 1.37 0.0 0.0 0
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133420 51524868 1 Cl2N2O3H20C24 A2B2C3D20E24 -35.49 7.57 -8.75 -0.99 -1
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133421 51525018 1 N2S2O4C11H11 A2B2C4D11E11 -103.97 5.28 0.0 0.0 -1
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133422 51525019 1 N2S2O4C11H11 A2B2C4D11E11 -106.07 3.94 0.0 0.0 1
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133423 51525159 1 OSN5C21H28 ABC5D21E28 52.99 3.04 0.0 0.0 1
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133424 51525282 1 SO2N4C19H25 AB2C4D19E25 17.62 11.65 0.0 0.0 0
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133425 51525284 1 SO2N3H21C22 AB2C3D21E22 30.78 7.08 -9.4 -1.49 1
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133426 51525285 1 FO2N4C28H32 AB2C4D28E32 -4.91 29.01 0.0 0.0 0
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133427 51525286 1 FO2N3C20H20 AB2C3D20E20 -36.35 6.9 -9.75 -1.32 0
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133428 51525287 1 FO2N3C20H20 AB2C3D20E20 -38.25 7.17 -9.71 -1.37 0
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133429 51525332 1 SN5H17C21 AB5C17D21 144.57 3.64 -8.88 -1.46 0
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133430 51525333 1 SN5H17C21 AB5C17D21 144.54 3.65 -8.88 -1.46 0
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133431 51525334 1 SN5H17C21 AB5C17D21 146.29 3.48 -8.83 -1.4 0
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133432 51525335 2 OSN3C9H10 ABC3D9E10 7.52 5.21 -8.93 -1.49 -1
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133433 51525569 1 FN2O2H14C18 AB2C2D14E18 -6.98 5.64 0.0 0.0 -1
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133434 51525641 1 N3O5H28C30 A3B5C28D30 -39.44 20.4 0.0 0.0 -1
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133435 51525951 1 SO2N5H10C15 AB2C5D10E15 152.89 8.13 0.0 0.0 0
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133436 51526766 1 NF2O4H17C18 AB2C4D17E18 -244.72 11.97 -9.14 -0.67 1
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133437 51527001 1 NO3C18H20 AB3C18D20 -56.65 6.99 0.0 0.0 -1
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133438 51527145 1 F2O2N4H11C19 A2B2C4D11E19 -35.81 6.01 0.0 0.0 1
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133439 51527585 1 ClN2O2C22H32 AB2C2D22E32 -24.08 2.12 0.0 0.0 1
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133440 51527586 1 Cl2N2O2C22H31 A2B2C2D22E31 -35.13 0.61 0.0 0.0 -2
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133441 51527960 1 SN3O4H15C19 AB3C4D15E19 34.74 17.71 -8.53 -3.85 0
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133442 51527961 1 N2Cl3O3H15C23 A2B3C3D15E23 -26.13 4.57 -9.33 -0.83 -1
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133443 51527962 1 Cl2N3O3H18C26 A2B3C3D18E26 17.71 21.06 0.0 0.0 1
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133444 51528561 1 ON2C12H13 AB2C12D13 -16.54 2.21 0.0 0.0 -1
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133445 51528646 1 N2O2S2H9C14 A2B2C2D9E14 27.31 7.13 0.0 0.0 -1
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133446 51528647 1 BrN2O6H16C24 AB2C6D16E24 -69.43 19.84 0.0 0.0 0
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133447 51529104 1 SN2C11H20 AB2C11D20 0.85 5.76 -8.27 0.26 1
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133448 51529249 1 ClO2N3H13C14 AB2C3D13E14 1.66 3.9 0.0 0.0 -1
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133449 51529250 1 ON2S3C18H19 AB2C3D18E19 53.85 5.55 0.0 0.0 0
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133450 51529324 1 N3O5C31H33 A3B5C31D33 -123.45 8.72 -8.42 -0.24 -1
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133451 51529361 1 Cl2O2N6H19C21 A2B2C6D19E21 36.13 15.22 0.0 0.0 0
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133452 51529619 1 SN2C21H28 AB2C21D28 16.91 7.0 -8.35 -0.27 1
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133453 51529677 1 BrFO2N4C26H29 ABC2D4E26F29 -43.09 11.44 0.0 0.0 0
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133454 51529678 1 BrFO2N4C26H28 ABC2D4E26F28 -55.89 4.57 -8.95 -1.38 -1
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133455 51529808 1 SN3O3C21H28 AB3C3D21E28 -94.69 5.48 0.0 0.0 1
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133456 51530157 1 N2O2C18H27 A2B2C18D27 -15.82 1.05 0.0 0.0 0
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133457 51530771 1 N3O5C27H31 A3B5C27D31 -135.25 5.12 -8.78 -0.49 -1
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133458 51530776 1 SO3N5C17H18 AB3C5D17E18 13.25 4.72 0.0 0.0 0
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133459 51530838 1 NO4H15C16 AB4C15D16 -106.63 5.75 -9.38 -0.42 -1
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133460 51530839 1 N3O4C20H20 A3B4C20D20 -78.18 5.32 0.0 0.0 0
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133461 51530840 1 N2O5H24C25 A2B5C24D25 -131.96 8.81 -8.34 -0.58 1
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133462 51530841 1 OF3N5H25C27 AB3C5D25E27 -94.62 1.67 0.0 0.0 -1
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133463 51530842 1 F3N4O4H20C21 A3B4C4D20E21 -184.94 2.41 0.0 0.0 0
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133464 51530974 1 SN3O4C17H21 AB3C4D17E21 -38.48 8.04 -8.21 -1.71 0
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133465 51530975 1 SN2O3C19H24 AB2C3D19E24 -87.22 3.2 -8.11 -1.03 0
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133466 51530976 1 ClSO2N3C16H20 ABC2D3E16F20 -39.27 4.61 -8.3 -1.24 0
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133467 51530977 1 SO2N3C18H21 AB2C3D18E21 -8.21 4.65 -8.24 -1.23 0
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133468 51530978 1 SN2O4C20H26 AB2C4D20E26 -121.64 8.79 -7.96 -0.71 -1
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133469 51531215 1 SO3N4C17H17 AB3C4D17E17 5.5 4.49 0.0 0.0 0
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133470 51531220 1 OSN3H17C19 ABC3D17E19 68.84 14.15 -7.61 -1.33 1
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133471 51531566 1 NC12H18 AB12C18 28.32 4.11 0.0 0.0 0
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133472 51531877 1 O2F3N8H15C20 A2B3C8D15E20 -20.88 11.51 -9.28 -1.75 0
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133473 51532188 1 N3O3C22H27 A3B3C22D27 -113.0 5.32 -8.73 0.12 0
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133474 51532189 1 N3O3C22H27 A3B3C22D27 -112.45 4.08 -8.71 0.14 0
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133475 51532208 2 NOC9H9 ABC9D9 -56.99 2.94 -8.72 -0.47 0
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133476 51532239 1 N2F3O3H17C19 A2B3C3D17E19 -235.53 6.5 -9.18 -0.59 0
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133477 51532240 1 N2F3O3H17C19 A2B3C3D17E19 -236.06 6.88 -9.21 -0.58 0
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133478 51533146 1 IN2O3C17H19 AB2C3D17E19 -107.21 4.39 -9.04 -1.03 1
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133479 51533550 1 SN3O3C21H28 AB3C3D21E28 -54.96 17.12 0.0 0.0 1
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133480 51533615 1 FSO3N5C22H27 ABC3D5E22F27 -108.54 8.48 0.0 0.0 0
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133481 51533861 1 SN2O2H22C23 AB2C2D22E23 -18.34 4.52 -8.96 -0.68 0
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133482 51533862 1 SN2O2H22C23 AB2C2D22E23 -17.75 6.82 -8.95 -0.62 0
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133483 51534035 1 NOC5H7 ABC5D7 -22.63 2.69 -10.68 0.02 0
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133484 51534175 1 O3N5C25H39 A3B5C25D39 -167.39 6.06 -9.01 -0.45 0
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133485 51534231 1 N3O3C21H29 A3B3C21D29 -55.5 3.97 -8.92 -0.64 0
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133486 51534245 1 N2O3C25H28 A2B3C25D28 -118.26 8.62 -9.05 -1.75 0
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133487 51534276 1 SN2O3C20H28 AB2C3D20E28 -125.93 3.03 -9.37 -0.66 0
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133488 51534375 1 ClSN2O3C23H27 ABC2D3E23F27 -102.61 5.73 -8.98 -1.0 1
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133489 51534479 1 ON3C7H10 AB3C7D10 24.94 1.41 0.0 0.0 1
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133490 51534757 1 SN3O5C18H18 AB3C5D18E18 -148.09 11.96 0.0 0.0 0
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133491 51535061 1 NCl3O3H14C18 AB3C3D14E18 -98.01 2.72 -8.62 -1.46 0
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133492 51535507 1 ClO2S2N3H20C21 AB2C2D3E20F21 -19.48 6.84 -8.98 -1.11 0
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133493 51535660 1 OSN3H23C24 ABC3D23E24 45.52 5.92 -8.75 -0.58 0
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133494 51535712 2 ON2C9H11 AB2C9D11 5.32 7.46 -8.58 -0.11 1
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133495 51536185 1 ClO2N3C26H27 AB2C3D26E27 1.77 3.96 0.0 0.0 1
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133496 51536284 1 O2N5C25H36 A2B5C25D36 21.48 4.21 0.0 0.0 0
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133497 51536473 2 ClNO3H6C9 ABC3D6E9 -124.84 7.12 -10.31 -2.09 0
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133498 51536619 1 FO2N3H16C19 AB2C3D16E19 -44.58 3.8 -8.94 -0.96 0
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133499 51536674 1 FSN2O4C20H23 ABC2D4E20F23 -176.56 5.78 -9.12 -1.16 0
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133500 51536748 1 NCl2O4H11C15 AB2C4D11E15 -117.1 3.56 -9.46 -1.46 0
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133501 51537408 1 ON7C26H29 AB7C26D29 86.39 3.71 -8.69 -0.36 0
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133502 51537426 1 ClN2O3C21H25 AB2C3D21E25 -132.03 4.63 -9.22 -0.35 1
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133503 51537629 1 ClO3N4C21H32 AB3C4D21E32 -93.28 4.13 0.0 0.0 1
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133504 51537630 1 ClN3O3C27H37 AB3C3D27E37 -76.17 6.59 0.0 0.0 0
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133505 51537941 1 N2O2F3H13C15 A2B2C3D13E15 -173.77 3.94 -9.24 -0.65 0
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133506 51537942 1 N2F3O4C17H17 A2B3C4D17E17 -244.01 3.06 -8.56 -0.64 0
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133507 51538067 1 SF2N3O3C17H25 AB2C3D3E17F25 -206.86 5.85 -9.23 -1.15 1
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133508 51538102 1 O3N4C21H35 A3B4C21D35 -129.58 2.01 0.0 0.0 0
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133509 51538146 1 ClFNOSH15C16 ABCDEF15G16 -59.96 4.04 -9.19 -0.79 0
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133510 51538198 1 O3N4C22H24 A3B4C22D24 4.15 10.58 -8.41 -0.98 1