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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1261 4060 2 NOC6H7 ABC6D7 -64.03 2.72 -9.79 -0.16 0
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1262 4061 1 SO2C25H40 AB2C25D40 -130.22 2.83 -8.87 0.07 0
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1263 4062 1 ON2C15H22 AB2C15D22 -46.7 4.18 -8.76 0.39 0
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1264 4063 1 O5C22H28 A5B22C28 -208.64 7.6 -9.84 -0.46 0
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1265 4064 1 N2O4C9H18 A2B4C9D18 -208.47 2.51 -10.65 0.66 0
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1266 4065 1 NO2C14H21 AB2C14D21 -86.8 2.26 -9.05 -0.58 0
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1267 4069 1 HgBr2O5H9C20 AB2C5D9E20 -58.76 9.0 0.0 0.0 0
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1268 4071 1 SH4N4C5 AB4C4D5 82.5 6.14 -9.47 -1.24 0
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1269 4072 1 NaS2N3O6C26H32 AB2C3D6E26F32 -239.57 16.69 -8.24 -1.45 0
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1270 4073 1 S2N3O6C26H33 A2B3C6D26E33 -202.53 7.37 -8.63 -1.73 0
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1271 4074 1 SN3O6C17H27 AB3C6D17E27 -257.9 5.37 -9.16 -1.19 0
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1272 4076 1 NO3C11H17 AB3C11D17 -96.51 4.2 -8.65 0.3 0
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1273 4077 1 C2S2O3H5 A2B2C3D5 -73.8 1.07 0.0 0.0 -1
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1274 4080 1 O2C21H26 A2B21C26 -39.74 3.73 -8.53 0.35 0
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1275 4081 1 SO2N3C19H27 AB2C3D19E27 -52.63 6.42 -8.05 0.23 0
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1276 4083 1 SN3O4C17H18 AB3C4D17E18 -88.15 4.24 0.0 0.0 -1
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1277 4084 1 SN3O4C17H19 AB3C4D17E19 -100.56 5.95 -9.48 -0.52 0
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1278 4085 1 NO8C12H15 AB8C12D15 -245.13 4.74 -9.82 -1.44 0
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1279 4086 1 NO3C11H17 AB3C11D17 -129.16 2.44 -9.1 0.07 0
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1280 4087 1 NO2C9H13 AB2C9D13 -76.26 1.91 -9.23 -0.13 0
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1281 4088 1 O3C22H32 A3B22C32 -170.58 6.09 -9.75 0.08 0
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1282 4089 3 OC9H14 AB9C14 -193.79 4.83 -9.79 0.03 0
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1283 4090 1 O2N3C25H29 A2B3C25D29 -32.04 2.32 -7.97 0.0 0
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1284 4093 2 OC2H3 AB2C3 -77.52 4.61 -10.99 -0.16 0
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1285 4094 2 NO4C11H11 AB4C11D11 -284.19 1.8 -9.28 -1.23 0
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1286 4095 1 NOC21H27 ABC21D27 -1.46 2.13 -8.73 0.11 0
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1287 4096 1 NPSC2O2H8 ABCD2E2F8 -149.81 2.18 -9.67 -0.2 0
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1288 4097 1 NO3C21H26 AB3C21D26 -56.73 2.57 0.0 0.0 1
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1289 4098 1 SN3C14H19 AB3C14D19 62.18 1.14 -8.42 -0.22 0
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1290 4099 1 N2O3C9H14 A2B3C9D14 -149.27 1.56 -10.79 -0.57 0
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1291 4101 2 N2C3H6 A2B3C6 27.97 0.01 -9.43 1.88 0
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1292 4103 1 SN2O6C17H20 AB2C6D17E20 -209.34 8.46 -9.35 -0.43 0
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1293 4104 1 SN2C4H6 AB2C4D6 33.55 3.76 -8.68 -0.1 0
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1294 4106 2 NSC10H12 ABC10D12 54.05 2.07 -8.12 -0.42 0
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1295 4109 1 SN2O2C5H10 AB2C2D5E10 -47.5 3.19 -8.83 -0.24 0
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1296 4111 1 O3C16H28 A3B16C28 -160.77 5.55 -9.46 -0.41 0
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1297 4114 4 OH2C3 AB2C3 -84.19 6.13 -8.69 -1.24 0
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1298 4115 1 O2Cl3H15C16 A2B3C15D16 -59.58 4.41 -8.82 -0.34 0
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1299 4116 1 OCl2F2C3H4 AB2C2D3E4 -174.66 2.26 -11.19 -0.39 0
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1300 4119 1 O3H14C17 A3B14C17 -64.34 5.33 -9.39 -0.85 0
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1301 4121 1 Cl2S2N3O4C9H11 A2B2C3D4E9F11 -140.2 6.91 -9.86 -1.07 0
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1302 4127 1 FO2H15C16 AB2C15D16 -97.28 0.95 -9.31 -0.41 0
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1303 4129 1 FPO2C19H34 ABC2D19E34 -221.56 5.92 -9.19 0.81 0
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1304 4130 1 NPSO5C8H10 ABCD5E8F10 -180.16 7.56 -10.01 -1.38 0
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1305 4132 4 O2C7H7 A2B7C7 -265.22 4.31 -8.67 0.13 0
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1306 4133 1 O3C8H8 A3B8C8 -102.76 3.67 -9.52 -0.63 0
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1307 4135 1 NO2C28H44 AB2C28D44 -58.6 2.83 0.0 0.0 1
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1309 4138 1 NO4C10H13 AB4C10D13 -162.43 4.58 -9.05 -0.44 0
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1310 4139 1 SN3C16H18 AB3C16D18 71.36 2.01 0.0 0.0 1
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1311 4140 1 O2N3C20H25 A2B3C20D25 -49.58 6.01 -8.39 -0.33 0