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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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448422 135290777 1 O7F10N10C51H60 A7B10C10D51E60 -633.71 4.91 -8.33 -1.16 0
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448423 135290784 1 ON2F4H6C11 AB2C4D6E11 -151.48 4.72 -10.11 -1.42 0
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448424 135290797 1 BrO2N3C12H12 AB2C3D12E12 -31.36 6.79 -9.39 -0.97 0
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448425 135290798 1 IF4N5O5C31H38 AB4C5D5E31F38 -352.05 5.87 -9.19 -0.98 0
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448426 135290800 2 FNOH6C7 ABCD6E7 -99.21 7.5 -9.57 -1.19 0
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448427 135290817 1 IF4N5O5C31H38 AB4C5D5E31F38 -363.46 7.8 -9.22 -0.9 0
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448428 135290820 1 IO2N3C15H22 AB2C3D15E22 -42.73 2.59 -8.53 -0.76 0
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448429 135290824 1 O4N9F12C45H51 A4B9C12D45E51 -640.48 7.59 -9.3 -1.42 0
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448430 135290853 1 ClOF3N4H12C13 ABC3D4E12F13 -127.45 3.81 -9.64 -2.02 0
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448431 135290857 1 OSF3N3C18H18 ABC3D3E18F18 -109.92 3.38 -8.62 -1.47 0
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448432 135290861 1 F3O3N4H17C20 A3B3C4D17E20 -166.09 9.7 -9.25 -1.83 0
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448433 135290864 1 SN3C7H13 AB3C7D13 26.52 2.64 -8.29 0.52 0
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448434 135290869 1 SO2N3C17H19 AB2C3D17E19 -4.22 3.91 -8.9 -1.06 0
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448435 135290892 1 N2S2O7C26H28 A2B2C7D26E28 -187.14 9.41 -8.56 -1.39 0
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448437 135290917 1 NOC14H25 ABC14D25 -83.38 2.8 -8.81 2.49 0
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448439 135290968 1 IN2C5H7 AB2C5D7 31.0 4.49 -8.9 -2.62 0
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448440 135290983 1 ClC12H17 AB12C17 -26.13 1.46 -9.05 0.26 0
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448441 135290986 1 ClNC11H16 ABC11D16 -16.38 2.11 -9.12 -0.12 0
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448442 135290997 1 NC13H21 AB13C21 -18.51 2.76 -9.23 0.3 0
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448443 135290998 1 ClNC10H14 ABC10D14 -10.4 0.47 -9.63 -0.23 0
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448444 135291016 1 ClNC10H14 ABC10D14 -7.19 1.67 -9.75 -0.22 0
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448445 135291017 1 ClNC11H16 ABC11D16 -16.37 2.16 -9.13 -0.07 0
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448446 135291018 1 ClNC11H16 ABC11D16 -6.7 4.76 -9.31 -0.2 0
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448447 135291021 1 ClNC11H16 ABC11D16 -9.22 3.4 -9.27 -0.17 0
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448448 135291024 1 NC13H21 AB13C21 -10.33 1.39 -8.32 0.61 0
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448449 135291032 1 H2N2O2F8C11 A2B2C2D8E11 -337.05 3.13 -10.95 -1.82 0
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448450 135291034 1 NC18H27 AB18C27 4.2 1.63 -8.77 0.46 0
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448451 135291036 1 N2O5C21H24 A2B5C21D24 -173.3 3.98 -8.83 0.06 0
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448452 135291038 1 O3C16H20 A3B16C20 -123.91 1.29 -9.68 0.07 0
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448453 135291042 1 ON2C17H22 AB2C17D22 22.6 3.4 -9.07 -1.29 0
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448454 135291063 1 O3C10H18 A3B10C18 -170.46 2.03 -9.95 0.88 0
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448455 135291064 1 O2C13H14 A2B13C14 -29.53 2.31 -9.43 0.31 0
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448456 135291066 1 O2N6C25H26 A2B6C25D26 41.39 5.97 -8.35 -1.0 0
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448457 135291067 1 FO4N7C30H32 AB4C7D30E32 -58.17 10.4 -8.32 -1.03 0
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448458 135291072 1 SN5O9C30H53 AB5C9D30E53 -421.06 19.93 -9.14 -0.42 0
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448459 135291075 1 S3N4O10C35H64 A3B4C10D35E64 -524.59 16.49 -8.04 -0.7 0
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448460 135291077 1 SO2N3C21H23 AB2C3D21E23 -12.56 9.23 -8.16 -0.7 0
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448461 135291092 1 NOC10H17 ABC10D17 -60.59 2.14 -9.57 1.24 0
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448462 135291093 1 F2N2S2O5C14H14 A2B2C2D5E14F14 -242.77 5.78 -9.92 -1.19 0
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448463 135291113 1 SN3O4C15H29 AB3C4D15E29 -220.26 3.89 -9.34 0.16 0
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448464 135291129 1 S2N5O6C39H47 A2B5C6D39E47 -66.92 7.33 -8.37 -0.64 0
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448465 135291132 1 NCl2C15H21 AB2C15D21 -18.89 2.02 -8.72 -0.37 0
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448467 135291152 1 SO4N6C29H34 AB4C6D29E34 -16.02 6.1 -8.04 -0.8 0
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448468 135291153 1 O2N3H21C22 A2B3C21D22 24.51 6.07 -8.78 -0.65 0
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448469 135291160 1 O2N3H21C23 A2B3C21D23 44.68 6.25 -8.82 -0.67 0
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448470 135291162 1 N3O3C35H71 A3B3C35D71 -222.94 2.29 -8.91 1.95 0
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448471 135291163 1 O3C13H24 A3B13C24 -180.94 8.3 -10.37 0.0 0
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448473 135291211 1 NO6C34H53 AB6C34D53 -312.23 1.7 -9.23 -0.31 0
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448474 135291215 1 N11O13C63H105 A11B13C63D105 -497.11 3.55 -8.63 -0.44 0
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448475 135291248 1 N11O12C61H111 A11B12C61D111 -660.94 1.53 -9.18 0.26 0
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448476 135291262 1 NO7C34H55 AB7C34D55 -373.71 4.52 -9.41 0.5 0
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448477 135291267 1 N11O12C66H113 A11B12C66D113 -635.1 17.04 -8.98 0.12 0
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448479 135291287 1 N11O12C62H113 A11B12C62D113 -662.45 7.05 -9.32 0.19 0
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448480 135291288 1 N11O13C65H109 A11B13C65D109 -300.83 41.11 -5.35 -3.1 0
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448481 135291291 1 NO8C32H55 AB8C32D55 -429.72 4.94 -9.76 -0.48 0
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448482 135291296 1 N11O12C67H115 A11B12C67D115 -642.17 12.97 -9.15 0.08 0
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448483 135291313 1 NO9C44H69 AB9C44D69 -437.89 3.8 -9.32 0.34 0
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448484 135291317 1 N11O12C58H103 A11B12C58D103 -328.13 17.73 -5.89 -2.23 0
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448485 135291320 1 N11O12C62H113 A11B12C62D113 -649.22 15.02 -8.96 0.1 0
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448486 135291324 1 ClC17H35 AB17C35 -97.41 2.46 -10.56 0.91 0
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448487 135291326 1 ClC16H33 AB16C33 -92.74 2.6 -10.51 0.95 0
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448488 135291327 2 O2C8H15 A2B8C15 -230.64 2.95 -10.81 0.32 0
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448489 135291334 1 OP2C9H22 AB2C9D22 -77.46 2.04 -8.87 1.92 2
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448490 135291338 2 NO4C23H31 AB4C23D31 -215.98 10.06 -9.07 -0.5 2
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448491 135291339 2 NO15C46H68 AB15C46D68 -1264.97 2.38 -8.23 -0.25 0
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448492 135291342 1 NF3C11H14 AB3C11D14 -155.06 2.67 -9.94 -0.71 0
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448493 135291360 1 NF3C11H14 AB3C11D14 -150.42 1.05 -9.85 -0.71 0
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448494 135291361 1 NF3C12H18 AB3C12D18 -144.38 4.75 -9.32 0.18 0
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448495 135291364 1 O2S2N3H17C19 A2B2C3D17E19 39.51 6.28 -8.55 -0.84 0
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448496 135291365 1 P4O13C129H182 A4B13C129D182 -817.21 4.66 -8.27 -0.11 0
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448497 135291367 2 O4C13H16 A4B13C16 -305.23 3.7 -8.81 -0.47 0
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448499 135291382 1 SN2O4C16H18 AB2C4D16E18 -151.03 4.89 -9.65 -1.33 0
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448500 135291385 1 O3C16H28 A3B16C28 -100.46 3.54 -9.23 -0.57 0
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448501 135291388 1 ClNOF3C16H21 ABCD3E16F21 -212.73 2.02 -8.9 -0.8 0
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448502 135291393 1 SO2N4C21H22 AB2C4D21E22 9.41 6.08 -9.71 -1.4 0