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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
367592 |
127325081 |
1 |
O3N5C16H25 |
A3B5C16D25 |
-96.12 |
4.0 |
-9.04 |
0.17 |
0 |
|
|
367593 |
127325082 |
1 |
O3N6C19H24 |
A3B6C19D24 |
-37.0 |
4.3 |
-9.21 |
-1.13 |
0 |
|
|
367594 |
127325083 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-121.48 |
5.44 |
-9.23 |
0.52 |
0 |
|
|
367595 |
127325084 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-45.75 |
2.13 |
-8.98 |
0.5 |
0 |
|
|
367596 |
127325085 |
1 |
OSN5C17H23 |
ABC5D17E23 |
30.27 |
5.77 |
-8.82 |
-1.1 |
0 |
|
|
367597 |
127325086 |
1 |
ON5C17H21 |
AB5C17D21 |
49.37 |
4.75 |
-9.08 |
-1.04 |
0 |
|
|
367598 |
127325087 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-117.64 |
2.47 |
-9.54 |
-0.15 |
0 |
|
|
367599 |
127325088 |
1 |
ON4C17H22 |
AB4C17D22 |
13.19 |
4.96 |
-8.55 |
0.2 |
0 |
|
|
367600 |
127325089 |
1 |
SO2N5C18H25 |
AB2C5D18E25 |
-54.11 |
1.42 |
-8.18 |
-0.39 |
0 |
|
|
367601 |
127325090 |
1 |
ON4C19H22 |
AB4C19D22 |
12.95 |
6.13 |
-9.65 |
-0.99 |
0 |
|
|
367602 |
127325091 |
1 |
OSN3C14H17 |
ABC3D14E17 |
25.72 |
4.3 |
-9.08 |
-0.19 |
0 |
|
|
367603 |
127325092 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
-14.65 |
6.85 |
-8.96 |
-1.19 |
0 |
|
|
367604 |
127325093 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-111.66 |
7.47 |
-9.09 |
-0.38 |
0 |
|
|
367605 |
127325094 |
1 |
SO2N3C22H27 |
AB2C3D22E27 |
-72.24 |
7.05 |
-8.91 |
-0.73 |
0 |
|
|
367606 |
127325095 |
1 |
SO2N5C18H23 |
AB2C5D18E23 |
-14.8 |
6.19 |
-9.15 |
-1.16 |
0 |
|
|
367607 |
127325096 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-112.34 |
4.69 |
-9.37 |
-0.08 |
0 |
|
|
367608 |
127325097 |
1 |
O2N5C18H21 |
A2B5C18D21 |
4.87 |
3.19 |
-9.67 |
-1.13 |
0 |
|
|
367609 |
127325099 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-131.19 |
7.72 |
-8.99 |
0.11 |
0 |
|
|
367610 |
127325100 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-16.53 |
4.52 |
-9.1 |
-1.05 |
0 |
|
|
367611 |
127325101 |
1 |
SN4O4C17H26 |
AB4C4D17E26 |
-140.74 |
1.21 |
-9.43 |
-0.42 |
0 |
|
|
367612 |
127325102 |
1 |
SO4N5C14H23 |
AB4C5D14E23 |
-130.87 |
7.12 |
-9.12 |
-0.22 |
0 |
|
|
367613 |
127325103 |
1 |
SN3O4C14H25 |
AB3C4D14E25 |
-153.09 |
2.69 |
-9.36 |
-0.38 |
0 |
|
|
367614 |
127325104 |
1 |
SO3N5C16H21 |
AB3C5D16E21 |
-66.84 |
6.78 |
-9.17 |
-1.18 |
0 |
|
|
367615 |
127325105 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-132.94 |
2.61 |
-9.58 |
0.57 |
0 |
|
|
367616 |
127325106 |
2 |
ON2C10H15 |
AB2C10D15 |
-88.53 |
4.22 |
-9.19 |
-0.18 |
0 |
|
|
367617 |
127325107 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-137.16 |
7.77 |
-9.24 |
0.11 |
0 |
|
|
367618 |
127325108 |
1 |
OSN5C18H25 |
ABC5D18E25 |
15.22 |
3.65 |
-8.6 |
-0.96 |
0 |
|
|
367619 |
127325109 |
1 |
ON5C18H23 |
AB5C18D23 |
32.25 |
5.72 |
-8.86 |
-0.97 |
0 |
|
|
367620 |
127325110 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-91.27 |
2.99 |
-9.33 |
-0.22 |
0 |
|
|
367621 |
127325111 |
1 |
SO2N6C19H20 |
AB2C6D19E20 |
24.95 |
7.38 |
-9.06 |
-1.05 |
0 |
|
|
367622 |
127325112 |
2 |
ON3C10H14 |
AB3C10D14 |
-41.23 |
6.23 |
-8.79 |
0.66 |
0 |
|
|
367623 |
127325113 |
1 |
O2N7C19H25 |
A2B7C19D25 |
-0.98 |
0.7 |
-9.04 |
-0.64 |
0 |
|
|
367624 |
127325114 |
1 |
OSN5C21H27 |
ABC5D21E27 |
19.61 |
3.2 |
-8.53 |
-0.86 |
0 |
|
|
367625 |
127325115 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-71.04 |
5.21 |
-9.12 |
0.27 |
0 |
|
|
367626 |
127325116 |
1 |
N2O3C10H16 |
A2B3C10D16 |
-118.86 |
1.97 |
-9.72 |
-0.29 |
0 |
|
|
367627 |
127325117 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-70.9 |
6.3 |
-9.2 |
0.2 |
0 |
|
|
367628 |
127325118 |
1 |
ON4C17H22 |
AB4C17D22 |
2.65 |
5.63 |
-9.13 |
-0.1 |
0 |
|
|
367629 |
127325119 |
1 |
O2N6C19H26 |
A2B6C19D26 |
-25.28 |
5.93 |
-9.45 |
0.47 |
0 |
|
|
367630 |
127325120 |
1 |
SO4N5C16H27 |
AB4C5D16E27 |
-144.85 |
5.06 |
-9.17 |
-0.16 |
0 |
|
|
367631 |
127325121 |
1 |
SN3O4C16H29 |
AB3C4D16E29 |
-169.95 |
5.22 |
-9.32 |
-0.34 |
0 |
|
|
367632 |
127325122 |
1 |
O3N5C17H23 |
A3B5C17D23 |
-41.58 |
2.09 |
-9.54 |
0.12 |
0 |
|
|
367633 |
127325123 |
1 |
OSN5C17H25 |
ABC5D17E25 |
10.73 |
3.83 |
-8.74 |
-0.93 |
0 |
|
|
367634 |
127325124 |
1 |
SO3N5C18H29 |
AB3C5D18E29 |
-99.5 |
3.14 |
-8.83 |
-0.27 |
0 |
|
|
367635 |
127325125 |
1 |
SO3N4C15H28 |
AB3C4D15E28 |
-115.54 |
6.36 |
-8.8 |
-0.23 |
0 |
|
|
367636 |
127325160 |
1 |
SO2N3C17H27 |
AB2C3D17E27 |
-89.98 |
3.18 |
-8.74 |
-0.27 |
0 |
|
|
367637 |
127325161 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-150.34 |
6.13 |
-9.31 |
-0.45 |
0 |
|
|
367638 |
127325162 |
1 |
O4N5C16H21 |
A4B5C16D21 |
-140.02 |
4.12 |
-9.07 |
-0.18 |
0 |
|
|
367639 |
127325163 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-199.23 |
3.09 |
-9.31 |
-0.29 |
0 |
|
|
367640 |
127325164 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-165.42 |
6.32 |
-9.28 |
-0.34 |
0 |
|
|
367641 |
127325165 |
1 |
O3N5C18H27 |
A3B5C18D27 |
-115.42 |
5.27 |
-9.21 |
0.27 |
0 |
|
|
367642 |
127325166 |
1 |
ON4C19H24 |
AB4C19D24 |
36.86 |
3.61 |
-9.43 |
-0.95 |
0 |
|
|
367643 |
127325167 |
1 |
SO3N4C14H18 |
AB3C4D14E18 |
-61.44 |
4.87 |
-9.11 |
-1.15 |
0 |
|
|
367644 |
127325168 |
1 |
ClN2O4C17H21 |
AB2C4D17E21 |
-160.38 |
3.55 |
-9.64 |
-0.39 |
0 |
|
|
367645 |
127325169 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-189.01 |
6.54 |
-9.25 |
-0.2 |
0 |
|
|
367646 |
127325170 |
1 |
NO4C16H21 |
AB4C16D21 |
-157.68 |
5.04 |
-9.49 |
0.09 |
0 |
|
|
367647 |
127325171 |
1 |
SN2O3C18H26 |
AB2C3D18E26 |
-119.81 |
3.61 |
-8.98 |
-0.74 |
0 |
|
|
367648 |
127325172 |
1 |
SN2O4C13H20 |
AB2C4D13E20 |
-178.76 |
4.35 |
-8.76 |
-0.28 |
0 |
|
|
367649 |
127325178 |
2 |
ON2C9H12 |
AB2C9D12 |
-25.74 |
3.37 |
-9.84 |
-0.48 |
0 |
|
|
367650 |
127325179 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-25.66 |
2.95 |
-9.87 |
-0.27 |
0 |
|
|
367651 |
127325180 |
1 |
O2N6C19H22 |
A2B6C19D22 |
41.92 |
5.91 |
-9.68 |
-0.92 |
0 |
|
|
367652 |
127325181 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-47.34 |
4.0 |
-8.65 |
-0.42 |
0 |
|
|
367653 |
127325182 |
1 |
SO2N4C18H30 |
AB2C4D18E30 |
-81.95 |
5.97 |
-8.4 |
-0.16 |
0 |
|
|
367654 |
127325183 |
1 |
SO2N4C20H34 |
AB2C4D20E34 |
-84.06 |
4.62 |
-8.84 |
-0.36 |
0 |
|
|
367655 |
127325184 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-69.81 |
0.68 |
-8.84 |
-0.15 |
0 |
|
|
367656 |
127325185 |
1 |
SN2O3C20H28 |
AB2C3D20E28 |
-119.55 |
4.54 |
-8.63 |
-0.04 |
0 |
|
|
367657 |
127325186 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-106.51 |
2.01 |
-9.48 |
-0.16 |
0 |
|
|
367658 |
127325187 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-58.49 |
4.87 |
-9.01 |
0.24 |
0 |
|
|
367659 |
127325188 |
1 |
OSN5C18H19 |
ABC5D18E19 |
61.05 |
5.21 |
-9.06 |
-1.15 |
0 |
|
|
367660 |
127325189 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-101.45 |
5.35 |
-9.57 |
-0.18 |
0 |
|
|
367661 |
127325190 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-34.44 |
3.21 |
-9.7 |
-1.06 |
0 |
|
|
367662 |
127325191 |
1 |
OS2N6C17H20 |
AB2C6D17E20 |
67.27 |
4.12 |
-8.83 |
-0.98 |
0 |
|
|
367663 |
127325192 |
2 |
OSN2C8H11 |
ABC2D8E11 |
-51.25 |
3.77 |
-8.75 |
-0.56 |
0 |
|
|
367664 |
127325193 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-67.34 |
4.95 |
-9.26 |
0.35 |
0 |
|
|
367665 |
127325194 |
2 |
OSN2C9H13 |
ABC2D9E13 |
-68.35 |
4.11 |
-8.71 |
-0.39 |
0 |
|
|
367666 |
127325195 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-69.43 |
4.16 |
-8.78 |
0.72 |
0 |
|
|
367667 |
127325210 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-86.35 |
3.83 |
-9.25 |
-0.25 |
0 |
|
|
367668 |
127325211 |
1 |
OSN5C16H21 |
ABC5D16E21 |
45.45 |
3.08 |
-8.7 |
-0.97 |
0 |
|
|
367669 |
127325212 |
1 |
ON5C16H19 |
AB5C16D19 |
62.54 |
4.4 |
-8.88 |
-1.0 |
0 |
|
|
367670 |
127325213 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-69.28 |
0.72 |
-8.89 |
-0.13 |
0 |
|
|
367671 |
127325214 |
1 |
ON4C14H22 |
AB4C14D22 |
-20.92 |
5.19 |
-8.65 |
0.28 |
0 |
|
|
367672 |
127325215 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-84.1 |
2.03 |
-9.41 |
0.03 |
0 |
|
|
367673 |
127325221 |
1 |
ON5C20H27 |
AB5C20D27 |
23.62 |
4.44 |
-8.59 |
-0.92 |
0 |
|
|
367674 |
127325222 |
1 |
ON4C20H26 |
AB4C20D26 |
7.67 |
3.67 |
-9.44 |
-0.92 |
0 |
|
|
367675 |
127325383 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-109.78 |
5.46 |
-8.86 |
0.19 |
0 |
|
|
367676 |
127325384 |
1 |
O2N7C20H29 |
A2B7C20D29 |
-17.3 |
7.56 |
-9.06 |
0.47 |
0 |
|
|
367677 |
127325385 |
1 |
OSN7C18H23 |
ABC7D18E23 |
58.79 |
5.97 |
-8.84 |
-0.98 |
0 |
|
|
367678 |
127325386 |
2 |
ON2C10H13 |
AB2C10D13 |
-40.05 |
5.34 |
-8.98 |
0.23 |
0 |
|
|
367679 |
127325387 |
1 |
SO2N5C17H25 |
AB2C5D17E25 |
-59.04 |
8.01 |
-8.75 |
-0.28 |
0 |
|
|
367680 |
127325388 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-44.41 |
2.58 |
-9.42 |
0.2 |
0 |
|
|
367681 |
127325389 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-48.32 |
2.05 |
-9.01 |
0.49 |
0 |
|
|
367682 |
127325390 |
1 |
O2N6C19H32 |
A2B6C19D32 |
-63.24 |
4.19 |
-8.67 |
0.44 |
0 |
|
|
367683 |
127325391 |
2 |
NOC7H11 |
ABC7D11 |
-81.3 |
2.58 |
-9.72 |
0.28 |
0 |
|
|
367684 |
127325392 |
2 |
ON2C7H8 |
AB2C7D8 |
-11.13 |
5.53 |
-9.8 |
-1.07 |
0 |
|
|
367685 |
127325393 |
1 |
ON6C16H22 |
AB6C16D22 |
24.82 |
8.19 |
-9.25 |
0.05 |
0 |
|
|
367686 |
127325394 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-68.48 |
2.21 |
-8.84 |
0.4 |
0 |
|
|
367687 |
127325395 |
1 |
ON4C15H24 |
AB4C15D24 |
-33.38 |
4.08 |
-8.68 |
0.09 |
0 |
|
|
367688 |
127325396 |
1 |
ClO2N3C21H28 |
AB2C3D21E28 |
-91.77 |
3.35 |
-9.02 |
-0.33 |
0 |
|
|
367689 |
127325409 |
1 |
OSN5C18H25 |
ABC5D18E25 |
14.73 |
2.68 |
-8.78 |
-0.89 |
0 |
|
|
367690 |
127325410 |
1 |
ON5C18H23 |
AB5C18D23 |
30.74 |
4.17 |
-9.0 |
-0.92 |
0 |
|
|
367691 |
127325442 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-124.8 |
5.91 |
-9.86 |
-0.13 |
0 |