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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15565 444396 1 O5N8C20H24 A5B8C20D24 -147.4 6.71 -8.59 -0.48 0
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15566 444398 1 O7N8C21H39 A7B8C21D39 -310.41 8.4 0.0 0.0 1
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15567 444453 1 N5C6H8 A5B6C8 76.41 7.09 0.0 0.0 1
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15568 444485 1 SP2N7O13C21H35 AB2C7D13E21F35 -650.35 6.31 -9.06 -0.55 0
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15569 444560 1 N4O12C29H40 A4B12C29D40 -559.89 7.97 -10.14 -0.68 0
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15570 444562 1 S2O4N6C19H28 A2B4C6D19E28 -136.53 5.5 -9.08 -0.48 0
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15571 444583 1 SN3O6C14H24 AB3C6D14E24 -261.24 2.81 0.0 0.0 -1
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15572 444632 1 O4N5C9H11 A4B5C9D11 -103.88 7.01 -10.1 -1.62 0
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15573 444633 1 P3N13O18C29H38 A3B13C18D29E38 -818.55 10.19 -9.23 -1.2 0
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15574 444639 1 AlN2F3O4C10H20 AB2C3D4E10F20 -504.47 7.31 -9.92 0.56 0
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15575 444729 1 N4O8H22C23 A4B8C22D23 -289.71 11.6 -9.28 -1.2 0
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15576 444806 1 S2N5O6C14H19 A2B5C6D14E19 -169.65 6.0 -8.9 -1.22 0
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15577 444809 1 SO5C6H12 AB5C6D12 -226.86 1.99 -9.29 -0.07 0
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15578 444817 1 N6O6C25H46 A6B6C25D46 -327.47 5.56 -9.67 0.05 0
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15579 444857 1 SN4O6C33H46 AB4C6D33E46 -289.24 11.41 -8.99 -0.28 0
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15580 444863 1 O5C6H12 A5B6C12 -236.24 2.97 -10.37 1.24 0
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15581 444868 2 C7H10 A7B10 1.2 0.62 -9.05 0.51 0
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15582 444897 1 SO3N6C25H34 AB3C6D25E34 -86.23 5.46 -9.25 -0.32 0
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15583 444912 1 N4O4H28C31 A4B4C28D31 -77.03 9.35 -8.44 -1.73 0
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15584 444973 1 N2O7C36H38 A2B7C36D38 -213.18 5.04 -9.39 -0.11 0
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15585 444987 1 NO11C27H31 AB11C27D31 -435.5 10.5 -7.93 -1.26 0
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15586 444996 1 SO9N11C43H71 AB9C11D43E71 -397.37 12.04 -8.81 -0.24 0
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15587 445044 1 P2N9O15C27H38 A2B9C15D27E38 -692.86 13.08 0.0 0.0 1
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15588 445045 1 P2N9O15C27H34 A2B9C15D27E34 -678.74 11.04 0.0 0.0 1
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15589 445048 1 N6O9C31H44 A6B9C31D44 -391.35 2.47 -9.55 -0.23 0
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15590 445106 1 C3H5N5 A3B5C5 78.9 1.36 -10.43 -0.59 0
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15591 445289 1 N8O8C27H44 A8B8C27D44 -368.84 10.75 -9.36 0.13 0
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15592 445290 1 SF3N4O6C20H25 AB3C4D6E20F25 -378.8 5.87 -8.96 -0.89 0
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15593 445294 1 ON2C9H18 AB2C9D18 -74.52 3.7 -9.62 0.89 0
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15594 445300 1 SP3N7O16C21H42 AB3C7D16E21F42 -863.36 5.57 -8.0 -0.56 0
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15595 445329 1 ON4C28H32 AB4C28D32 45.24 1.98 -8.8 -0.96 0
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15596 445337 1 SP3N7O18C25H42 AB3C7D18E25F42 -959.33 4.76 -9.06 -0.89 0
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15597 445356 1 N3O5H22C26 A3B5C22D26 -28.07 5.75 0.0 0.0 1
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15598 445367 1 SP2N9O15C27H34 AB2C9D15E27F34 -690.9 6.71 0.0 0.0 1
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15599 445379 2 N4O8C18H29 A4B8C18D29 -779.48 11.28 -9.86 -0.77 0
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15600 445380 1 NiN8H36C44 AB8C36D44 585.62 19.47 -5.48 -3.87 4
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15601 445423 1 N6O13C34H60 A6B13C34D60 -518.99 1.72 -8.88 0.16 0
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15602 445452 1 O3C22H36 A3B22C36 -191.12 2.55 -9.24 0.97 0
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15603 445453 1 P4N10C17O17H22 A4B10C17D17E22 -871.12 11.4 -9.04 -2.11 0
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15604 445454 1 PN2O7C29H59 AB2C7D29E59 -477.42 1.85 -9.75 0.39 0
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15605 445554 1 NC20H33 AB20C33 -9.17 2.45 -8.39 0.22 0
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15606 445582 1 P2N7O14C21H28 A2B7C14D21E28 -586.18 7.36 0.0 0.0 1
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15607 445616 1 SN3O6C10H17 AB3C6D10E17 -275.47 9.32 -9.74 -0.3 0
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15608 445643 1 NO12C44H69 AB12C44D69 -549.82 2.95 -9.44 -0.68 0
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15609 445718 2 NC4O4H6 AB4C4D6 -293.49 5.39 -10.55 -0.91 0
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15610 445755 1 O3N7C29H33 A3B7C29D33 36.62 2.57 -8.84 -0.47 0
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15611 445785 1 N3O10C30H37 A3B10C30D37 -412.05 6.99 -9.75 -1.54 0
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15612 445889 1 NS2C5H11 AB2C5D11 20.32 3.71 -8.6 -1.37 -2
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15613 445890 1 NS2C5H13 AB2C5D13 -7.39 1.59 -8.81 -0.07 0
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15614 446095 1 NC3O3H5 AB3C3D5 -113.17 3.53 -10.48 -0.82 0
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15615 446128 1 NOC7H13 ABC7D13 -47.2 3.85 -10.34 1.15 0
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15616 446146 1 SN3O5C19H35 AB3C5D19E35 -263.3 2.25 -8.35 0.22 0
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15617 446149 2 N2O2C18H21 A2B2C18D21 -59.23 4.1 -8.73 -0.11 0
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15618 446166 1 N3O33C42H65 A3B33C42D65 -1483.16 4.04 -10.3 -0.47 0
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15619 446167 1 PC5O5H9 AB5C5D9 -275.71 4.73 -10.94 -0.17 0
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15620 446179 1 N12O12C49H76 A12B12C49D76 -551.71 6.42 -9.42 -0.26 0
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15621 446180 1 N4O14C45H60 A4B14C45D60 -594.57 10.18 -8.67 -1.07 0
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15622 446181 1 NO2C7H15 AB2C7D15 -118.26 5.58 -10.13 0.92 0
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15623 446182 1 N3C9H23 A3B9C23 -24.22 2.31 -8.84 3.16 0
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15624 446183 1 N12O13C49H76 A12B13C49D76 -619.37 4.86 -9.27 -0.25 0
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15625 446184 1 N2S2O6C15H18 A2B2C6D15E18 -220.73 4.96 -8.63 -0.53 0
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15626 446187 1 N6O6C29H30 A6B6C29D30 -127.67 2.25 -8.9 -0.53 0
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15627 446188 1 O2C19H30 A2B19C30 -132.68 2.94 -9.61 1.04 0
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15628 446285 2 OC9H17 AB9C17 -147.17 4.77 -9.59 0.6 0
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15629 446341 1 ClSN4O4H25C26 ABC4D4E25F26 -63.45 2.93 -8.49 -1.47 0
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15630 446354 1 P2N5O14C17H24 A2B5C14D17E24 -651.18 6.41 0.0 0.0 1
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15631 446357 1 OH5N5C7 AB5C5D7 49.6 11.78 -9.49 -0.62 0
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15632 446361 1 N7O7C29H43 A7B7C29D43 -304.26 6.01 -9.27 -0.36 0
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15633 446371 1 NC20H29 AB20C29 33.11 1.82 -8.32 -0.08 0
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15634 446377 2 N2O2C17H21 A2B2C17D21 -117.79 7.94 -7.97 -0.89 0
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15635 446384 1 SP3N7O17C35H62 AB3C7D17E35F62 -963.74 3.4 -9.12 -0.59 0
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15636 446493 1 PN4O8C10H13 AB4C8D10E13 -345.61 7.99 -9.29 -1.08 0
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15637 446502 1 Cl2N4O4C26H29 A2B4C4D26E29 -88.9 4.42 0.0 0.0 1
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15638 446503 1 Cl2N4O4C26H31 A2B4C4D26E31 -103.97 3.4 0.0 0.0 1
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15639 446504 1 SN3O5C18H23 AB3C5D18E23 -124.54 7.05 -9.33 -0.61 0
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15640 446511 1 S2N8O9C33H42 A2B8C9D33E42 -348.7 9.54 -9.17 -1.34 0
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15641 446527 1 SN8O10C50H58 AB8C10D50E58 -371.21 6.75 -8.74 -0.27 0
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15642 446528 1 N8O8C37H56 A8B8C37D56 -372.0 9.03 -8.49 -0.08 0
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15644 446565 1 NO3C4H8 AB3C4D8 -92.2 2.9 0.0 0.0 1
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15645 446566 1 N2S2O5C10H12 A2B2C5D10E12 -196.95 3.03 -9.69 -0.64 0
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15646 446567 1 N3H11C15 A3B11C15 128.19 1.8 -9.0 -1.03 0
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15647 446577 1 P3N5C10O12H16 A3B5C10D12E16 -654.06 9.63 -9.3 -0.87 0
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15649 446600 1 N2O7C14H18 A2B7C14D18 -290.2 4.23 -10.34 -0.82 0
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15650 446682 1 PC3O6H7 AB3C6D7 -322.14 2.29 -11.1 -0.1 0
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15651 446776 1 P2S2N10O13C20H26 A2B2C10D13E20F26 -526.84 11.59 -8.4 -1.64 0
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15652 446777 1 P2O17C51H92 A2B17C51D92 -974.38 8.14 -9.37 -0.04 0
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15653 446862 1 PN2O7C11H17 AB2C7D11E17 -355.78 7.72 -9.31 -0.63 0
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15654 446903 1 SN2O3C9H14 AB2C3D9E14 -140.27 6.13 -9.19 -0.06 0
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15655 446907 1 O2N5H22C26 A2B5C22D26 108.68 7.43 0.0 0.0 1
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15656 446945 1 N9O13C45H59 A9B13C45D59 -540.27 6.53 -9.02 -0.38 0
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15657 446948 2 ClOH4C6 ABC4D6 -56.2 3.73 -8.81 -0.75 0
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15658 446950 1 N4O11C26H36 A4B11C26D36 -497.21 7.12 -9.28 -0.28 0
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15659 446970 1 N4O12C19H32 A4B12C19D32 -556.38 5.6 -9.79 0.24 0
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15660 446991 1 N9O13C30H35 A9B13C30D35 -490.66 15.93 -9.16 -1.84 0
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15662 447055 1 NSO3C9H15 ABC3D9E15 -145.93 6.09 -9.4 -0.03 0
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15663 447061 1 MgN4O6C41H54 AB4C6D41E54 -274.71 5.9 -7.2 -1.41 -2
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15664 447062 1 NPO8C33H67 ABC8D33E67 -515.2 4.05 0.0 0.0 1
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15665 447065 1 N5O6C30H31 A5B6C30D31 -123.54 4.44 -9.12 -1.37 0
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15666 447080 1 N4O6C49H60 A4B6C49D60 -117.66 9.41 -8.26 -1.6 0
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15667 447098 1 O2N4H14C15 A2B4C14D15 1.32 3.86 -8.45 -0.33 0