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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230468 87570981 1 N3O3C12H13 A3B3C12D13 -97.42 6.91 -9.04 -0.9 0
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230469 87570982 1 INSH4O5C8 ABCD4E5F8 -133.8 3.77 -10.42 -2.09 0
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230470 87570984 1 OSiH11C13 ABC11D13 86.31 2.53 0.0 0.0 0
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230471 87570985 1 NSi2C15H35 AB2C15D35 -66.05 1.09 -8.22 0.81 0
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230472 87570987 1 NSi2C15H33 AB2C15D33 -1.91 3.27 -7.09 -1.06 0
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230473 87570991 1 NSiC10H20 ABC10D20 25.06 5.96 0.0 0.0 0
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230474 87570994 3 ON2C6H6 AB2C6D6 4.93 7.35 -8.7 -0.96 0
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230475 87570995 1 NSi2C20H45 AB2C20D45 -115.94 0.94 -7.63 0.32 0
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230476 87570998 1 NSi2C20H43 AB2C20D43 -33.58 1.01 -6.34 -1.15 0
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230477 87571007 1 NSi2C11H25 AB2C11D25 -0.26 3.88 -7.2 -1.17 0
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230478 87571010 1 NCl3Si3C9H24 AB3C3D9E24 -226.99 1.54 -8.77 -0.62 0
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230479 87571012 1 O13C55H108 A13B55C108 -769.65 4.9 -9.62 0.42 0
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230480 87571017 1 SiH32C34 AB32C34 81.08 1.05 -8.61 -0.14 0
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230481 87571018 1 OF6N6H14C18 AB6C6D14E18 -252.61 4.75 -9.1 -1.5 0
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230483 87571022 1 O2N4Cl6H8C11 A2B4C6D8E11 -44.97 1.36 -9.55 -1.25 0
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230484 87571027 1 N2S2O4H18C21 A2B2C4D18E21 -71.75 4.71 -9.09 -1.72 0
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230485 87571028 1 BSO9C15H25 ABC9D15E25 -412.77 4.32 -9.88 -0.82 0
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230486 87571030 1 O6N9C52H63 A6B9C52D63 -157.83 8.43 -8.22 -0.51 0
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230487 87571035 5 OC2H4 AB2C4 -259.0 3.72 -10.26 0.62 0
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230488 87571043 1 BrFSN2O3C22H26 ABCD2E3F22G26 -125.84 4.86 -8.66 -0.67 0
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230489 87571047 1 PC40H83 AB40C83 -191.61 2.14 -8.89 2.96 0
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230491 87571057 2 NF3C8H9 AB3C8D9 -280.96 4.42 -9.27 -0.49 0
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230492 87571060 1 N2O2C41H78 A2B2C41D78 -234.39 5.44 -9.5 1.07 0
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230493 87571067 1 BrClO2N3C15H21 ABC2D3E15F21 -58.65 7.84 -8.82 -0.72 0
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230494 87571069 1 BrClO2N3C15H21 ABC2D3E15F21 -59.84 8.88 -8.54 -0.48 0
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230495 87571083 1 ISN2O4C14H15 ABC2D4E14F15 -131.59 3.38 -8.84 -1.8 0
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230496 87571087 1 Cl2N3O3C16H17 A2B3C3D16E17 -12.27 6.61 -9.73 -1.69 0
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230497 87571088 1 Cl2N3O3C16H17 A2B3C3D16E17 -9.73 8.61 -9.65 -1.62 0
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230498 87571092 1 O6C23H44 A6B23C44 -338.13 7.02 -9.65 0.09 0
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230499 87571093 1 O6C23H42 A6B23C42 -318.97 5.51 -9.61 -0.45 0
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230500 87571104 1 ClSO2N5C27H34 ABC2D5E27F34 -6.48 4.63 -8.84 -0.75 0
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230501 87571106 2 O3C11H12 A3B11C12 -239.71 1.51 -8.42 -0.2 0
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230502 87571118 1 BSO2N3F5C27H47 ABC2D3E5F27G47 -427.47 14.17 -11.0 -2.76 0
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230503 87571129 1 ClF2S2N4O6H15C22 AB2C2D4E6F15G22 -196.28 8.94 -9.59 -1.46 1
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230504 87571135 1 N2C11H21 A2B11C21 -0.34 2.38 0.0 0.0 0
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230505 87571145 1 FNOC14H20 ABCD14E20 -71.08 2.16 -9.04 -0.12 0
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230506 87571149 1 F2S2N4O7C27H28 A2B2C4D7E27F28 -293.84 9.21 -8.35 -1.17 0
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230507 87571150 1 ClF2S2N3O6H22C24 AB2C2D3E6F22G24 -260.1 9.34 -9.31 -1.58 0
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230508 87571151 1 PSO4C9H17 ABC4D9E17 -153.38 0.7 -8.84 -1.1 0
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230509 87571157 1 O9C72H118 A9B72C118 -505.78 4.8 -9.19 0.03 0
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230510 87571158 1 S2N3O7C27H29 A2B3C7D27E29 -181.47 5.63 -9.12 -1.13 0
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230511 87571159 1 FCl2N2S2O6H17C22 AB2C2D2E6F17G22 -192.91 8.54 -9.17 -1.47 0
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230512 87571162 1 N2O5C14H24 A2B5C14D24 -225.37 4.07 -10.28 -0.51 0
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230513 87571164 1 N2O5C14H22 A2B5C14D22 -214.26 3.27 -10.31 -0.25 0
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230514 87571165 1 O4C7H16 A4B7C16 -202.24 2.31 -10.12 1.48 0
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230515 87571196 1 Si2O3C11H23 A2B3C11D23 -181.77 2.28 0.0 0.0 0
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230516 87571197 1 Si2O3C11H23 A2B3C11D23 -86.84 2.51 0.0 0.0 0
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230517 87571201 2 NOC6H7 ABC6D7 -35.07 6.67 -10.5 -0.86 0
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230518 87571209 1 ClNS2O6C12H14 ABC2D6E12F14 -197.59 4.41 -9.61 -0.79 0
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230519 87571210 1 NO5C25H47 AB5C25D47 -323.98 4.18 -10.19 0.1 0
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230520 87571211 1 NO5C25H47 AB5C25D47 -319.96 4.49 -10.25 0.23 0
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230521 87571222 2 FSN2O3C14H15 ABC2D3E14F15 -259.96 8.8 -8.25 -1.36 0
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230522 87571226 1 FN2O10C24H33 AB2C10D24E33 -445.75 2.18 -8.67 -0.28 0
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230523 87571227 2 O2C7H11 A2B7C11 -176.2 2.68 -9.62 -0.07 0
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230524 87571233 1 F2S2N3O6C27H27 A2B2C3D6E27F27 -236.0 5.02 -9.04 -1.33 0
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230525 87571238 1 O8C31H62 A8B31C62 -481.87 7.05 -10.37 0.14 0
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230527 87571250 1 ClN2O2C12H15 AB2C2D12E15 -57.8 1.28 -9.2 -1.17 0
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230528 87571256 1 BrSN3O3F5H27C29 ABC3D3E5F27G29 -292.96 7.16 -10.07 -1.08 0
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230529 87571263 2 NOC12H21 ABC12D21 -81.13 4.64 -9.26 0.96 0
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230530 87571264 1 OC20H28 AB20C28 -43.26 1.84 -8.58 0.25 0
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230531 87571266 1 F3N3O3C17H30 A3B3C3D17E30 -314.83 3.08 -9.33 -0.14 0
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230532 87571270 1 ClOH9C15 ABC9D15 19.27 3.51 -9.17 -1.25 0
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230533 87571272 1 ClO2N8C25H29 AB2C8D25E29 26.54 8.83 -9.26 -1.0 0
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230534 87571273 1 S3N6O14C58H60 A3B6C14D58E60 -355.47 8.08 -8.55 -1.16 0
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230535 87571276 2 O8C29H32 A8B29C32 -302.29 2.61 -8.54 -0.22 0
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230536 87571280 1 N2O4C27H52 A2B4C27D52 -296.03 5.64 -10.11 0.21 0
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230537 87571286 1 N2O4C39H74 A2B4C39D74 -270.49 6.27 -9.68 0.95 0
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230538 87571288 1 ClN4O6C14H19 AB4C6D14E19 -188.73 5.63 -9.18 -1.14 0
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230539 87571291 1 SN2O3C26H26 AB2C3D26E26 -47.1 2.41 -8.72 -0.97 0
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230540 87571301 1 OSN3C18H27 ABC3D18E27 -17.88 5.93 -8.76 -0.3 0
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230541 87571303 1 O6C25H32 A6B25C32 -144.78 2.88 -8.5 0.05 0
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230542 87571309 1 SN2O5H20C21 AB2C5D20E21 -160.78 4.84 -9.2 -1.14 0
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230543 87571311 1 ClNO3C4H10 ABC3D4E10 -120.95 3.56 -9.89 -0.94 0
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230544 87571316 1 N2O2C15H20 A2B2C15D20 -60.54 4.64 -9.05 0.51 0
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230545 87571317 1 ClNO8C15H28 ABC8D15E28 -211.83 15.44 -11.41 -2.48 0