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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32487 7838895 1 F3N3O5C18H18 A3B3C5D18E18 -349.39 6.36 -10.16 -1.0 0
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32488 7838896 1 F3N3O3H12C19 A3B3C3D12E19 -180.31 2.65 -9.61 -1.26 1
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32489 7838917 1 ClN2O3C16H20 AB2C3D16E20 -106.48 5.96 0.0 0.0 0
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32490 7838925 1 ClN2O3C17H21 AB2C3D17E21 -128.64 6.92 -8.84 -0.1 0
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32491 7838931 1 NF3O3C20H20 AB3C3D20E20 -258.88 4.61 -9.12 -1.48 0
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32492 7838932 1 ClNF3O3H13C17 ABC3D3E13F17 -254.49 3.38 -8.87 -1.47 0
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32493 7838933 1 NF3O3H16C18 AB3C3D16E18 -248.9 5.18 -8.79 -1.53 1
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32494 7839316 1 NSO2C15H24 ABC2D15E24 -77.51 4.4 0.0 0.0 0
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32495 7839319 1 SN2O2H24C25 AB2C2D24E25 -7.96 3.14 -8.91 -0.77 0
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32496 7839623 1 O5H22C25 A5B22C25 -123.87 6.72 -9.44 -0.64 0
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32497 7839624 1 NO4H15C18 AB4C15D18 -71.44 3.21 -9.58 -0.78 0
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32498 7839625 1 NO4H15C18 AB4C15D18 -75.2 2.7 -9.65 -0.84 0
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32499 7839848 2 NO2H11C12 AB2C11D12 -102.12 4.86 -9.25 -0.96 0
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32500 7840002 1 NF2O5H17C18 AB2C5D17E18 -269.58 7.04 -8.92 -0.48 0
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32501 7840016 1 SN2O6C19H22 AB2C6D19E22 -209.44 4.85 -9.18 -0.57 0
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32502 7840032 1 N2O5C14H16 A2B5C14D16 -182.76 3.5 -8.84 0.17 0
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32503 7840033 1 NO3C24H29 AB3C24D29 -118.86 2.43 -9.39 -0.98 0
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32504 7840035 1 FNO3C26H26 ABC3D26E26 -124.13 3.87 -9.18 -0.97 0
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32505 7840073 1 FOSN2H23C25 ABCD2E23F25 -21.45 2.42 -8.97 -0.76 0
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32506 7840216 1 NO5C19H21 AB5C19D21 -169.11 4.78 -8.38 -0.12 0
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32507 7840217 1 NCl2O4H15C17 AB2C4D15E17 -144.61 5.05 -9.19 -0.66 0
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32508 7840327 1 FO3H15C16 AB3C15D16 -140.77 3.74 -9.38 -0.61 0
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32509 7840338 1 NO4H23C24 AB4C23D24 -121.48 2.88 -8.6 -0.98 0
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32510 7840512 1 N2O5C18H24 A2B5C18D24 -231.09 3.42 -9.57 -0.86 0
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32511 7840620 1 N2O5C23H28 A2B5C23D28 -172.84 4.29 -8.44 -0.19 0
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32512 7840638 1 NO6H17C18 AB6C17D18 -217.99 6.01 -9.34 -1.22 0
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32513 7840639 1 N2O6C19H20 A2B6C19D20 -147.66 3.01 -8.64 -1.64 0
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32514 7840775 1 SN2O3C19H24 AB2C3D19E24 -107.24 4.22 -9.32 -0.95 0
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32515 7840776 1 N3O4H19C21 A3B4C19D21 -79.34 7.5 -8.57 -1.15 0
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32516 7840777 1 SN3O3C17H21 AB3C3D17E21 -79.99 3.63 -8.97 -1.47 0
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32517 7840778 1 N2S2O5C17H20 A2B2C5D17E20 -173.73 4.74 -8.98 -1.18 0
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32518 7840779 1 ClFNO3C17H21 ABCD3E17F21 -192.37 6.59 -9.14 -0.56 0
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32519 7840832 1 ClSN2O3C15H15 ABC2D3E15F15 -62.88 3.85 -8.95 -0.63 0
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32520 7840833 1 ClNSO3H16C19 ABCD3E16F19 -66.88 5.39 -8.94 -0.67 0
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32521 7840835 1 ClN2O5C17H21 AB2C5D17E21 -146.39 8.77 -9.42 -1.4 0
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32522 7840836 1 ClNS2O5C15H18 ABC2D5E15F18 -207.56 5.32 -9.19 -0.76 0
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32523 7841511 1 ClNSO6C18H18 ABCD6E18F18 -212.53 5.13 -9.25 -0.99 0
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32524 7841841 1 N2O5C17H18 A2B5C17D18 -156.11 5.9 -9.3 -1.02 0
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32525 7841847 2 NO3C10H10 AB3C10D10 -201.46 3.79 -9.27 -0.94 0
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32526 7841848 1 FNO4C19H20 ABC4D19E20 -185.09 4.24 -8.95 -0.37 0
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32527 7842083 1 FNO4C20H22 ABC4D20E22 -178.36 4.45 -9.16 -0.53 0
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32528 7842142 1 ClN4O4H17C20 AB4C4D17E20 -78.9 7.79 -9.1 -1.0 0
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32529 7842174 1 FN3O3C23H24 AB3C3D23E24 -104.92 4.21 -9.31 -1.11 0
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32530 7842196 1 FN2O3H21C25 AB2C3D21E25 -59.59 4.35 -8.7 -0.94 0
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32531 7842236 1 FN2O5C21H23 AB2C5D21E23 -197.45 3.53 -8.03 -0.36 0
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32532 7842237 1 FN2O5C21H23 AB2C5D21E23 -199.3 0.94 -8.25 -0.46 0
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32533 7842241 1 FNO4C14H16 ABC4D14E16 -169.42 2.27 -9.73 -0.67 0
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32534 7842255 1 FSN2O3H15C22 ABC2D3E15F22 -70.73 5.89 -9.1 -1.39 0
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32535 7842257 1 NSO3H21C25 ABC3D21E25 -30.93 4.87 -9.14 -1.31 0
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32536 7842294 1 ClNF2O4H12C16 ABC2D4E12F16 -209.65 5.04 -9.28 -0.76 0
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32537 7842691 1 FOSN3H18C23 ABCD3E18F23 57.03 4.26 -8.93 -1.26 0
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32538 7842724 1 N3O4C24H25 A3B4C24D25 -93.54 6.15 -9.78 -0.59 0
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32539 7842725 1 S2N3H19C23 A2B3C19D23 139.48 1.98 -8.48 -1.26 0
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32540 7842726 1 N3O4C24H25 A3B4C24D25 -103.86 5.58 -9.74 -0.69 0
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32541 7842915 1 SN2O3H18C23 AB2C3D18E23 -14.39 5.99 -9.03 -0.69 0
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32542 7842916 2 NO3H7C9 AB3C7D9 -79.2 4.36 -9.6 -1.71 0
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32543 7842957 1 NSO3H23C24 ABC3D23E24 -60.45 4.82 -9.17 -0.82 0
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32544 7842958 1 N2O4C15H18 A2B4C15D18 -122.76 2.09 -9.75 -0.85 0
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32545 7842959 1 NSO3H23C24 ABC3D23E24 -61.3 3.11 -8.93 -0.6 0
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32546 7843046 2 NO2H11C12 AB2C11D12 -71.37 4.15 -8.91 -0.74 0
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32547 7843052 1 NO4C19H23 AB4C19D23 -144.4 2.93 -8.81 -0.7 0
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32548 7843067 1 BrNO4H14C18 ABC4D14E18 -69.38 6.93 -9.55 -1.21 0
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32549 7843069 2 O2H10C11 A2B10C11 -99.25 2.17 -8.78 -0.72 0
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32550 7843083 1 N3O5C22H23 A3B5C22D23 -127.3 6.43 -8.1 -0.71 0
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32551 7843085 2 NO2C11H12 AB2C11D12 -106.34 5.39 -9.47 -0.74 0
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32552 7843086 2 NO2C11H12 AB2C11D12 -105.43 4.16 -9.4 -0.84 0
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32553 7843181 1 NSO6C19H21 ABC6D19E21 -208.83 2.42 -8.76 -0.53 0
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32554 7843183 1 O3H18C25 A3B18C25 -18.2 2.53 -8.77 -0.68 0
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32555 7843482 1 N3O6C18H23 A3B6C18D23 -175.6 3.3 -9.92 -1.79 0
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32556 7843792 1 NCl2O3H15C20 AB2C3D15E20 -77.21 2.34 -9.04 -0.99 0
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32557 7843900 1 ClFO2C19H22 ABC2D19E22 -165.03 4.89 -9.81 -0.23 0
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32558 7843976 1 ClOSN2H21C24 ABCD2E21F24 16.84 3.77 -8.86 -0.66 0
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32559 7844066 1 SO6H18C20 AB6C18D20 -185.29 6.23 -9.37 -1.03 0
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32560 7844625 1 NO5C25H25 AB5C25D25 -126.27 3.95 -8.92 -0.28 0
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32561 7844737 1 N2O5C24H32 A2B5C24D32 -233.89 1.47 -9.2 -0.35 0