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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8235 75603 1 ClFS2H4O4C6 ABC2D4E4F6 -185.09 5.61 -11.57 -1.96 0
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8236 75606 1 NC3O3H5 AB3C3D5 -125.54 5.76 -10.54 -0.08 0
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8237 75607 2 OH6C7 AB6C7 -36.47 2.35 -9.44 -0.59 0
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8238 75608 1 OCl2N2H8C14 AB2C2D8E14 44.32 2.89 -9.44 -1.54 0
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8239 75610 2 N2O3C4H4 A2B3C4D4 17.88 6.44 -10.1 -2.07 0
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8240 75611 1 INO2C8H18 ABC2D8E18 -96.34 12.69 -7.28 -0.32 0
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8241 75612 1 NO2C8H18 AB2C8D18 -77.09 2.72 0.0 0.0 1
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8242 75613 1 SCl2H4O4C7 AB2C4D4E7 -142.64 6.81 -10.94 -2.04 0
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8243 75621 2 H7C8 A7B8 35.67 1.47 -8.52 -0.38 0
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8244 75622 2 O4C14H25 A4B14C25 -326.04 2.93 -8.62 0.37 0
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8245 75624 1 N2O2C15H20 A2B2C15D20 -83.67 2.96 -8.06 -0.16 0
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8246 75632 1 ClH9C11 AB9C11 25.49 2.08 -9.01 -0.63 0
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8247 75633 1 ClNO2C5H8 ABC2D5E8 -97.45 4.18 -10.04 0.35 0
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8248 75634 1 NOC5H13 ABC5D13 -63.38 1.02 -9.41 2.57 0
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8249 75636 1 NO3C6H7 AB3C6D7 -81.25 3.69 -10.87 -0.82 0
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8250 75650 2 H6C7 A6B7 38.07 0.48 -8.64 -0.25 0
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8251 75661 1 NPO4C5H12 ABC4D5E12 -239.64 4.72 -10.19 0.68 0
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8252 75676 1 NPO3C6H12 ABC3D6E12 -175.15 1.02 -11.01 0.58 0
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8253 75688 1 PO3C27H57 AB3C27D57 -284.77 0.81 -9.17 1.26 0
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8254 75707 1 O2N3C7H9 A2B3C7D9 23.02 8.99 -9.2 -1.08 0
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8255 75708 1 O4H8C11 A4B8C11 -120.81 6.45 -10.07 -1.06 0
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8256 75730 1 OH14C15 AB14C15 -0.3 4.51 -9.38 -0.57 0
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8258 75737 1 NO2C10H13 AB2C10D13 -67.92 2.14 -9.47 0.19 0
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8259 75738 1 ClH2N3O4C5 AB2C3D4E5 27.3 2.25 -11.42 -2.69 0
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8260 75740 1 OH6C9 AB6C9 52.64 4.2 -9.78 -0.89 0
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8261 75741 1 O2N3C5H11 A2B3C5D11 -84.34 2.59 -9.94 0.88 0
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8262 75742 1 O3C4N4H10 A3B4C4D10 -86.19 0.97 -10.34 0.15 0
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8263 75748 2 O2C3H4 A2B3C4 -161.87 5.18 -11.3 -0.4 0
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8264 75769 1 NPSO2Cl3C7H7 ABCD2E3F7G7 -149.67 4.73 -9.35 -0.88 0
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8265 75811 2 C2O2H5 A2B2C5 -60.89 2.9 -10.09 -0.08 0
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8266 75836 1 O2C13H26 A2B13C26 -148.58 2.17 -10.76 0.84 0
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8267 75841 1 OCl2H6C8 AB2C6D8 -32.99 3.91 -9.82 -1.16 0
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8268 75847 2 NOC12H15 ABC12D15 -54.22 3.06 -7.84 -1.25 0
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8269 75877 1 NH3Cl4C7 AB3C4D7 16.8 1.26 -9.58 -1.01 0
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8270 75895 1 OH3C4N5 AB3C4D5 80.81 6.59 -10.1 -2.08 0
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8271 75896 1 NSC4O4H9 ABC4D4E9 -168.81 4.63 -9.49 -0.2 0
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8272 75902 1 HNOCl2F2C5 ABCD2E2F5 -111.97 5.76 -9.56 -1.14 0
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8273 75922 1 HSO3C5F11 ABC3D5E11 -664.13 1.91 -12.62 -1.56 0
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8274 75923 2 IF2C3 AB2C3 -114.37 1.42 -9.87 -1.99 0
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8275 75927 1 OF2H4C6 AB2C4D6 -112.82 2.04 -9.49 -0.56 0
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8276 75928 1 OF2H4C6 AB2C4D6 -118.86 1.99 -9.85 -0.43 0
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8277 75929 1 N5C9H13 A5B9C13 49.09 2.7 -8.92 -0.35 0
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8278 75930 2 NC12H14 AB12C14 39.87 2.89 -8.24 0.5 0
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8279 75932 2 NC13H16 AB13C16 41.7 2.37 -8.08 0.58 0
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8280 75960 1 NO2C9H11 AB2C9D11 -67.77 1.04 -9.92 -0.16 0
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8281 75969 2 O4H7C9 A4B7C9 -271.38 11.53 -10.61 -1.36 0
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8282 75970 1 NO3C8H15 AB3C8D15 -155.72 4.86 -10.07 0.5 0
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8283 75986 1 NO2C6H13 AB2C6D13 -50.04 4.07 -9.18 0.89 0
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8284 76005 1 OC10H22 AB10C22 -94.06 1.8 -10.29 2.73 0
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8285 76018 1 OCl2H2N2C4 AB2C2D2E4 -0.87 4.76 -9.78 -1.08 0