filename
stringlengths 31
31
| image
imagewidth (px) 97
2.57k
| mol
stringlengths 421
17.9k
|
|---|---|---|
US20220013730A1-20220113-C00183 | 00108001.cdx
ChemDraw12212115072D
12 12 0 0 0 0 0 0 0 0999 V2000
-1.4289 -1.2234 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.8109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.4266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6425 1.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4266 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 2 1 0
7 8 1 0
8 9 1 0
8 10 1 0
5 11 1 0
11 12 1 0
M END
|
|
US20210005821A1-20210107-C00276 | 00113001.cdx
ChemDraw12092018022D
53 63 0 0 0 0 0 0 0 0999 V2000
3.3605 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4110 0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7232 1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9848 0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9342 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6220 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1494 1.1563 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6923 0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1354 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1319 0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5130 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0699 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7543 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3246 -1.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3422 -2.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 -1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4284 -2.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1813 -3.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8481 -2.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7620 -1.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6297 1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6339 1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4266 1.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0100 2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7965 3.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9996 3.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4162 2.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8474 2.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2640 3.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5329 2.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7464 2.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1630 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1939 -0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7773 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5741 -0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7877 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 -1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4074 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3099 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5023 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8719 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6955 1.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1494 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7798 0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9562 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5234 1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9401 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1536 2.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 2.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5846 -1.1627 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
2 7 1 0
4 8 1 0
8 9 1 0
9 10 2 0
10 5 1 0
9 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 10 1 0
13 15 1 0
15 16 1 0
16 17 1 0
17 14 1 0
16 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 17 2 0
8 22 1 0
8 23 1 0
22 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
28 22 1 0
23 29 2 0
29 30 1 0
30 31 2 0
31 32 1 0
32 33 2 0
33 23 1 0
12 34 1 0
34 35 1 0
35 36 2 0
36 37 1 0
37 38 2 0
38 39 1 0
39 34 2 0
35 40 1 0
40 41 1 0
40 11 1 0
41 42 1 0
42 43 2 0
43 44 1 0
44 45 2 0
45 46 1 0
46 41 2 0
40 47 1 0
47 48 1 0
48 49 2 0
49 50 1 0
50 51 2 0
51 52 1 0
52 47 2 0
37 53 1 0
M END
|
|
US20180250283A1-20180906-C00024 | 00045001.cdx
ChemDraw07191816032D
16 17 0 0 0 0 0 0 0 0999 V2000
0.7938 0.0202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7938 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5784 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0633 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5784 0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1264 0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6273 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2948 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0484 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1347 -0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4672 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7136 -0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8883 -0.3923 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.8334 1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8883 -0.8371 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7159 0.8038 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 1 1 0
1 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
4 13 1 0
5 14 2 0
10 15 1 0
9 16 1 0
M END
|
|
US20190022102A1-20190124-C00319 | 00339001.cdx
ChemDraw12071807112D
17 17 0 0 0 0 0 0 0 0999 V2000
-3.2151 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3737 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1987 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
5 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
12 15 1 0
12 16 1 0
8 17 2 0
M END
|
|
US20180140577A1-20180524-C00013 | 00033001.cdx
ChemDraw04091815272D
17 17 0 0 0 0 0 0 0 0999 V2000
-0.7995 2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0255 2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0544 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3870 0.8804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2805 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0651 1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0651 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7325 1.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3870 0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9703 -0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9703 -1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3752 -0.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7325 -0.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1453 -1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5537 -1.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2672 -2.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7568 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
3 4 1 0
4 5 1 0
5 2 1 0
5 6 1 1
6 7 2 0
6 8 1 0
4 9 1 0
9 10 1 0
10 11 1 0
9 12 2 0
10 13 2 0
11 14 1 0
11 15 1 0
14 16 1 0
11 17 1 0
M END
|
|
US20190016726A1-20190117-C01226 | 00388001.cdx
ChemDraw11291809072D
25 29 0 0 0 0 0 0 0 0999 V2000
-2.9038 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9038 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1192 -0.8070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6343 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1192 0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3887 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9038 -1.8869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1192 -1.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9477 1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5608 1.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3454 1.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5169 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8374 0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2540 -0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7564 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1730 1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6239 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1262 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9231 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1367 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5533 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4675 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9335 0.3447 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5169 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 1 2 0
2 6 2 0
6 7 1 0
7 8 2 0
8 3 1 0
5 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 1 1 0
4 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 1 0
18 13 1 0
15 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 16 1 0
14 23 1 0
21 24 1 0
24 25 1 0
M END
|
|
US20210130293A1-20210506-C00843 | 00901001.cdx
ChemDraw01171913382D
9 9 0 0 0 0 0 0 0 0999 V2000
-1.7862 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 2 1 0
5 8 1 0
8 9 1 0
M END
|
|
US20200290970A1-20200917-C00043 | 00063001.cdx
ChemDraw08082017242D
22 24 0 0 0 0 0 0 0 0999 V2000
-2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 5 1 0
2 11 1 0
6 12 1 0
10 13 2 0
9 14 1 0
14 15 1 0
14 16 2 0
15 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 17 1 0
M END
|
|
US20200339580A1-20201029-C00006 | 00024003.cdx
ChemDraw09222014422D
38 41 0 0 0 0 0 0 0 0999 V2000
0.6910 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -0.5497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0235 -1.7872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0235 -0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7380 -0.5497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -2.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -3.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0235 -3.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 -3.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1199 -3.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4995 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7544 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5794 1.5448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2695 2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 -0.5497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8344 0.7602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4525 -1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4525 -0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 -2.1997 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.7380 -2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7380 -3.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 -0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2869 2.7227 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0712 0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3870 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0712 2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 2.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4532 2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4532 0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6723 1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8344 -3.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1119 2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 3.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6994 3.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8744 3.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1199 -2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
2 4 1 0
2 23 1 0
3 4 1 0
3 21 2 0
4 5 2 0
5 19 1 0
6 7 2 0
7 8 1 0
7 9 1 0
8 22 1 0
9 10 1 0
11 12 1 0
11 17 2 0
11 16 1 0
12 13 2 0
13 14 1 0
13 15 1 0
14 17 1 0
16 19 1 0
18 19 2 0
18 20 1 0
18 21 1 0
21 22 1 0
1 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 1 1 0
30 32 1 1
26 32 1 1
24 32 1 0
33 10 1 0
24 34 1 0
34 35 1 0
24 36 2 0
24 37 2 0
10 38 1 0
M END
|
|
US20220079964A1-20220317-C00029 | 00048001.cdx
ChemDraw02232200572D
13 13 0 0 0 0 0 0 0 0999 V2000
0.7634 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3824 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0543 0.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2719 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3824 0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0969 1.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3824 -0.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 -1.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7634 -1.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 -0.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7634 -0.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 0.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
3 2 1 1
3 4 1 0
4 5 1 0
5 1 1 1
3 6 1 0
6 7 1 0
3 8 1 0
2 9 1 0
1 10 1 0
2 11 1 0
1 12 1 0
5 13 1 4
M END
|
|
US20190135733A1-20190509-C00197 | 00174001.cdx
ChemDraw04051916252D
37 39 0 0 0 0 0 0 0 0999 V2000
-0.6358 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0786 -0.5456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6358 0.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7931 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5076 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2220 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9365 -0.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6510 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5076 -1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7931 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3655 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0799 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0799 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3655 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6510 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9365 1.1044 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.3655 1.9294 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.3655 -1.3706 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.7944 -0.5456 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.5076 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5076 1.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2220 0.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3503 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0320 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8203 -0.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1217 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7092 -1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8934 -1.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2887 -1.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3814 0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1383 1.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1858 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7469 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5512 0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7944 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2333 -0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4289 -0.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
5 9 2 0
4 10 1 1
8 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 8 1 0
15 16 1 0
14 17 1 0
11 18 1 0
12 19 1 0
10 20 1 0
20 21 1 0
20 22 2 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 23 1 0
25 30 1 0
30 31 2 0
30 32 1 0
23 1 1 0
32 33 2 0
33 34 1 0
34 35 2 0
35 36 1 0
36 37 2 0
37 32 1 0
M END
|
|
US20180037570A1-20180208-C00100 | 00117001.cdx
ChemDraw12281722252D
26 29 0 0 0 0 0 0 0 0999 V2000
-1.8414 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 1.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5559 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -3.0938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7309 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5559 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 2.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -1.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
3 7 1 0
8 6 1 1
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 8 1 0
10 14 1 0
12 15 1 1
14 16 2 0
7 17 3 0
14 18 1 0
18 19 1 0
18 20 1 6
19 21 1 0
21 22 1 0
22 19 1 0
4 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 5 1 0
M END
|
|
US20130053370A1-20130228-C00087 | 00109001.cdx
ChemDraw01051311012D
24 27 0 0 0 0 0 0 0 0999 V2000
-2.0375 0.8591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0375 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3230 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6085 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6085 0.8591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3230 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1515 -1.1854 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3310 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0046 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7190 -0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4335 -0.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7190 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1480 -0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8625 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5769 -0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5769 0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8625 1.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1480 0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4335 1.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2914 -0.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7519 -0.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4664 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8789 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2914 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 1 0
8 9 2 0
9 4 1 0
9 10 1 0
10 11 1 0
10 12 2 0
11 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 13 1 0
18 19 1 0
15 20 1 0
2 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 22 1 0
M END
|
|
US20210024464A1-20210128-C00311 | 01279001.cdx
ChemDraw03092011112D
21 24 0 0 0 0 0 0 0 0999 V2000
-3.1185 0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1185 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4041 -0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6896 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6896 0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4041 1.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9751 -0.5422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2606 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2606 0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9751 1.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4538 -0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5401 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3470 -1.5342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7595 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2075 -0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5665 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8214 0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2694 0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4624 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5243 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1185 -1.2613 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
8 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 2 0
15 11 1 0
14 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 15 1 0
18 20 1 0
16 21 1 0
M END
|
|
US20190386225A1-20191219-C00196 | 00065001.cdx
ChemDraw12021908122D
18 21 0 0 0 0 0 0 0 0999 V2000
0.6584 -2.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4834 -2.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8959 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4834 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6584 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2459 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8959 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4834 0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6584 0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2459 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1064 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6473 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 -0.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1926 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4748 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2285 1.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3147 1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8959 2.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 2 0
4 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 5 2 0
9 11 1 0
11 12 2 0
12 13 1 0
13 10 1 0
11 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 12 1 0
16 18 1 0
M END
|
|
US20210190720A1-20210624-C00003 | 00023001.cdx
ChemDraw05252120302D
70 72 0 0 0 0 0 0 0 0999 V2000
4.0519 2.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3582 2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6477 2.9691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1026 3.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7455 2.4616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2905 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8132 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0180 1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9673 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9879 2.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2266 3.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9033 1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8694 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0912 0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1081 1.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3431 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4899 2.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1835 2.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8941 2.7830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1328 1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0405 0.4145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0743 -0.3976 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-6.1328 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4053 -2.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7117 -3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1835 -3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0011 -2.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9503 -1.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6609 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3884 -1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6271 -0.6683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2398 -1.5480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7624 -3.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4730 -4.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8941 -4.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5292 -1.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5800 -2.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8356 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7848 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1250 -2.0386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2622 1.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3130 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9728 2.0725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4314 1.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4822 2.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 1.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7341 0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1214 1.7341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3431 2.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7679 3.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7172 4.3225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9728 3.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1854 3.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2192 2.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5256 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8621 3.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6065 3.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8452 4.3225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8150 2.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7812 3.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5594 0.9728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.0313 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0820 -1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8095 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3376 -0.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2699 0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9805 1.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7249 -0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3545 -1.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 2 0
1 5 1 0
2 3 1 0
2 6 1 6
3 10 1 0
5 17 1 0
6 8 1 0
7 8 1 0
8 9 1 0
10 11 2 0
12 10 1 6
12 16 1 0
12 15 1 0
13 14 1 0
13 16 1 0
14 15 1 0
15 44 1 0
17 18 1 0
18 20 2 0
18 19 1 0
21 22 1 0
21 42 1 0
22 39 1 0
23 24 1 0
23 26 2 0
24 25 2 0
25 27 1 0
25 33 1 0
26 34 1 0
26 35 1 0
28 27 1 1
28 29 1 0
28 32 1 0
29 30 2 0
29 31 1 0
31 66 1 0
32 36 1 0
33 34 2 0
36 37 2 0
36 38 1 0
38 39 1 0
38 40 1 6
41 42 1 6
41 43 1 0
41 44 1 0
43 47 1 0
44 45 2 0
46 47 1 0
46 49 1 0
46 50 1 1
47 48 2 0
49 60 1 0
50 51 1 0
51 52 1 0
51 53 2 0
54 55 1 0
54 57 1 0
56 55 1 1
56 60 1 0
56 62 1 0
57 58 2 0
57 59 1 0
60 61 2 0
62 67 1 0
63 64 1 0
63 66 1 0
63 69 1 6
64 65 1 0
66 67 1 0
66 70 1 6
67 68 2 0
M END
|
|
US20210053937A1-20210225-C00028 | 00074001.cdx
ChemDraw01282115442D
30 34 0 0 0 0 0 0 0 0999 V2000
-1.5001 1.4540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5001 2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2847 2.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7696 1.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2847 1.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5901 1.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9257 1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4407 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6203 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8326 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9189 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2514 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5022 -0.0008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5885 0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0790 1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1697 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0834 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7509 -1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5046 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5908 -0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9233 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1720 -1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9257 -1.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0858 -2.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7856 2.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0711 2.2790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1803 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0053 1.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2637 2.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5984 2.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 1 1 0
4 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 5 2 0
1 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 10 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 16 1 0
22 23 1 0
22 24 1 0
2 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 26 1 0
13 16 1 6
19 22 1 6
M END
|
|
US20220260464A1-20220818-C00043 | 00065001.cdx
ChemDraw07262218182D
31 34 0 0 0 0 0 0 0 0999 V2000
2.5348 -0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3598 -0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7723 0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3598 0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5348 0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1223 0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9827 1.5558 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.2290 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3153 0.3998 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
0.5146 1.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1999 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9144 1.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 0.3953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9144 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1999 0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9144 2.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 2.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3433 2.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3433 1.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3433 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 -0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8737 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -1.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4321 -2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1809 -2.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3433 -0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0578 -1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0578 -2.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7723 -2.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5146 2.4578 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
5 7 1 0
7 8 1 0
8 9 2 0
9 6 1 0
8 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
15 16 2 0
16 11 1 0
12 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 13 1 0
14 21 1 0
9 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
21 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
10 31 1 0
M CHG 1 9 1
M END
|
|
US20200291034A1-20200917-C00259 | 00291001.cdx
ChemDraw08132006372D
21 22 0 0 0 0 0 0 0 0999 V2000
-1.4744 -0.6496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6494 -0.6496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3945 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0619 0.6199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0974 -1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7096 -1.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9645 -0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3523 -2.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5140 0.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6674 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4744 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9843 2.8319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 -2.8319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.1369 -1.7924 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.4323 -2.3023 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.9447 2.3023 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7293 2.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5140 1.7924 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0264 0.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 1 2 0
2 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 3 1 0
6 10 1 0
5 11 1 0
9 12 1 0
12 13 1 0
13 19 1 0
19 14 1 0
10 15 1 0
10 16 1 0
10 17 1 0
19 18 1 0
19 20 1 0
13 21 1 0
M END
|
|
US20190135775A9-20190509-C00034 | 00057001.cdx
ChemDraw11091713152D
24 27 0 0 0 0 0 0 0 0999 V2000
-0.9442 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7692 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0242 0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3567 0.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3567 -0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1076 0.3914 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3211 -0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4878 0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0712 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8577 2.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0608 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4774 1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2622 -0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0487 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7482 -1.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 -1.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1180 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0712 -1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0712 -1.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3567 -2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6423 -1.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6423 -1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 1 2 0
4 6 1 0
5 7 1 0
7 8 1 0
7 9 1 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 8 1 0
9 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 9 1 0
6 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 6 2 0
M END
|
|
US20190031641A1-20190131-C00245 | 00263001.cdx
ChemDraw12271813102D
25 28 0 0 0 0 0 0 0 0999 V2000
2.3169 2.8221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4919 2.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0794 2.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4919 1.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3169 1.3932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7294 2.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2544 2.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1581 1.3932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9786 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1501 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4356 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.6395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2221 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5619 1.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 2.7001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1261 3.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3808 1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8054 -1.2928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5919 -2.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2050 -2.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7883 -1.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5748 -0.9230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4185 -3.1001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 -1.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 8 1 0
11 13 1 0
9 14 1 0
14 15 2 0
15 16 1 0
16 17 1 0
17 18 2 0
18 14 1 0
13 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 13 1 0
21 24 1 0
22 25 1 0
M END
|
|
US20190092779A1-20190328-C00571 | 00593001.cdx
ChemDraw02151914132D
38 42 0 0 0 0 0 0 0 0999 V2000
0.5285 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5285 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1860 2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1860 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5285 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6719 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9005 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6719 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6719 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6719 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6719 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5821 2.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3705 1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6719 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2594 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4436 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8388 0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5285 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5285 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1860 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9005 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6149 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9005 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 2 0
2 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 3 1 0
4 11 2 0
10 12 1 0
12 13 1 0
8 14 1 0
13 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 13 1 0
17 20 1 0
21 22 1 0
22 20 1 0
21 23 1 0
14 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 14 1 0
23 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 23 1 0
32 35 1 0
35 36 1 0
36 37 1 0
36 38 2 0
M END
|
|
US20190144455A1-20190516-C00604 | 00694001.cdx
ChemDraw04161902092D
42 45 0 0 0 0 0 0 0 0999 V2000
0.2674 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2674 -2.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9819 -3.1182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6963 -2.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6963 -1.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9819 -1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 -1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 -1.5499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5399 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 -3.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 -3.2201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 -0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1253 -0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1253 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 -1.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4108 -3.1182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1253 -2.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1940 -0.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 -4.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 1.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 1.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9819 2.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4471 2.8076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8760 2.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5905 2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3050 2.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 2.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 3.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1253 4.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8397 3.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8397 2.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1253 2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8397 -3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4471 3.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 1.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5905 1.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3050 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 2 1 0
21 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 21 1 0
4 17 1 0
17 18 1 0
7 19 2 0
11 20 1 0
8 21 1 0
13 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
24 32 1 1
32 33 2 0
33 34 1 0
34 35 2 0
35 36 1 0
36 37 2 0
37 32 1 0
18 38 1 0
27 39 1 0
28 40 2 0
30 41 1 0
30 42 1 0
M END
|
|
US20200277308A1-20200903-C00062 | 00083001.cdx
ChemDraw07292015592D
35 40 0 0 0 0 0 0 0 0999 V2000
-2.9536 1.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9536 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2391 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5247 1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5247 2.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2391 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2391 0.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5247 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8102 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8102 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0957 1.5160 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 0.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3332 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0477 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0477 1.1035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3332 1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7622 -0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7622 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1911 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7382 2.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2231 1.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7382 1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0481 1.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4606 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0481 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1911 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1911 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9757 -2.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4606 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9757 -0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -2.1965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3882 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
2 6 1 1
3 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 4 2 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 12 2 0
15 18 1 0
18 19 1 0
19 20 1 0
20 29 1 0
29 21 1 0
21 22 1 0
22 18 1 0
2 23 1 0
23 24 1 0
24 25 1 0
25 1 1 0
24 26 1 1
26 27 1 0
27 28 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 29 1 0
30 34 1 1
31 35 1 1
M END
|
|
US20180044332A1-20180215-C00083 | 00103001.cdx
ChemDraw12311709332D
44 49 0 0 0 0 0 0 0 0999 V2000
-2.1570 1.0985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9820 1.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2369 0.3139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5695 -0.1710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9020 0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0338 0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6171 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4140 0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6276 -0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0442 -0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2473 -0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4244 -0.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0078 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8047 -0.1704 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.7943 0.8400 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-7.5912 0.6265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.1051 0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8916 -0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0947 -0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4887 -0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2751 0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5218 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0824 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8689 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6658 -0.1704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2492 0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0460 0.1995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0356 1.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6294 1.6078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6294 0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4140 0.5279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8990 1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4140 1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6134 1.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6276 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0442 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2577 -1.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0546 -1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6380 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4244 -0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0078 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8047 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2473 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 0
5 1 1 0
3 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
9 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
13 16 1 0
5 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 17 1 0
20 23 1 0
23 24 1 0
24 25 1 0
25 23 1 0
25 26 1 0
26 27 1 0
27 28 1 0
27 29 2 0
28 31 2 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 30 1 0
33 35 2 0
32 36 1 0
36 37 2 0
37 38 1 0
38 39 2 0
39 40 1 0
40 41 2 0
41 36 1 0
41 42 1 0
42 43 1 0
37 44 1 0
M END
|
|
US20210139432A1-20210513-C00034 | 00056001.cdx
ChemDraw04062111062D
29 31 0 0 0 0 0 0 0 0999 V2000
-2.2687 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0938 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5062 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0938 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2687 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3312 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7437 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4437 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6187 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2062 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6187 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4437 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2062 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2062 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0313 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8563 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2687 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8563 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0313 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0313 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0938 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9187 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7437 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7437 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0313 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
3 7 1 0
7 8 1 0
6 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 6 1 0
12 14 2 0
10 15 2 0
11 16 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 16 2 0
21 22 1 0
17 23 1 0
23 24 1 0
19 25 1 0
25 26 3 0
26 27 1 0
7 28 2 0
22 29 1 0
M END
|
|
US20210277003A1-20210909-C00371 | 00413001.cdx
ChemDraw08162115462D
9 9 0 0 0 0 0 0 0 0999 V2000
1.1639 0.0862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2572 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4965 1.1560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1639 0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0777 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3240 -0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2378 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9246 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0
2 3 2 0
2 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 3 1 0
7 8 1 0
2 9 1 0
M END
|
|
US20190030034A1-20190131-C00224 | 00243001.cdx
ChemDraw12141806362D
21 21 0 0 0 0 0 0 0 0999 V2000
-1.5622 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5622 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2766 1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9911 1.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9911 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2766 -0.1405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7056 -0.1405 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.8477 1.5095 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.8477 -0.1405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 -1.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9451 -0.4851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7420 -0.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3253 -0.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9555 -1.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1222 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7056 0.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5388 -0.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3357 -1.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9374 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
5 7 1 0
2 8 1 0
1 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 2 0
14 16 1 0
16 17 1 0
16 18 1 0
16 19 1 0
10 20 1 0
10 21 1 0
M END
|
|
US20200157096A1-20200521-C00289 | 00285001.cdx
ChemDraw04152022362D
28 32 0 0 0 0 0 0 0 0999 V2000
-1.0967 0.9297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0967 0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3323 0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3323 0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 1.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8111 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8111 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0967 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5256 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 2.1672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 -0.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6018 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 1.1846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4268 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2793 -1.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8313 -1.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4188 -2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6118 -2.3658 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8393 1.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3718 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8198 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6598 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8313 2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1169 2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5038 1.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6968 2.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
2 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 3 1 0
8 11 1 0
6 12 1 0
4 13 1 0
13 14 1 0
14 15 2 0
15 5 1 0
14 16 1 0
11 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 11 1 0
16 21 1 0
13 22 1 0
22 23 1 0
21 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 21 1 0
27 28 2 0
M END
|
|
US20220177458A1-20220609-C00132 | 00529001.cdx
ChemDraw05192219242D
28 31 0 0 0 0 0 0 0 0999 V2000
-3.9296 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 7 2 0
8 13 1 0
11 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 14 2 0
18 20 1 0
20 21 2 0
20 22 1 0
17 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 23 1 0
M END
|
|
US20210101928A1-20210408-C00126 | 00152001.cdx
ChemDraw03082107212D
31 34 0 0 0 0 0 0 0 0999 V2000
-0.9167 -1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2172 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2172 -2.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3954 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6421 -0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9426 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2301 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2172 0.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4953 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5082 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2077 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9331 0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0238 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3373 1.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7233 0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0083 1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4383 2.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8244 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2026 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7363 -0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9331 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2207 -0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2207 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5082 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2207 0.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4953 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9331 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1099 -1.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8244 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 -2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
2 3 1 6
2 25 1 0
2 8 1 0
4 5 1 1
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 1
8 10 1 0
10 11 1 0
10 23 1 0
10 27 1 6
11 12 1 0
12 13 1 0
13 14 1 1
13 16 1 0
13 22 1 0
14 15 1 0
16 17 1 1
16 20 1 0
17 18 2 0
17 19 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 28 1 6
23 24 1 0
23 26 1 1
24 25 1 0
5 29 1 0
29 30 1 0
4 31 1 6
M END
|
|
US20200299237A1-20200924-C00043 | 00065001.cdx
ChemDraw08182021462D
38 41 0 0 0 0 0 0 0 0999 V2000
-3.1975 -0.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8291 -0.5828 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.9231 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2878 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9231 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1938 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8291 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1938 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0997 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7351 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7351 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6410 1.9438 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.6410 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9117 0.6805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4607 -0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4644 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5585 -1.2144 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5585 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5585 -1.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7351 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3704 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7351 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4644 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6410 -1.2144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8291 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4644 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6410 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2764 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -0.5828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5470 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9117 -0.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1823 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1823 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5470 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2878 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 6 1 0
2 17 2 0
2 18 1 0
3 4 1 0
3 6 2 0
4 5 2 0
5 8 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
9 11 2 0
10 16 2 0
11 12 1 0
12 13 1 0
12 14 2 0
14 15 1 0
14 16 1 0
15 32 1 0
15 37 1 0
19 20 2 0
19 21 2 0
19 27 1 0
19 38 1 0
22 23 1 0
22 25 2 0
23 24 2 0
23 26 1 0
24 28 1 0
25 27 1 0
26 30 1 0
27 28 2 0
29 30 2 0
30 31 1 0
31 34 1 0
32 33 2 0
32 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
M END
|
|
US20190359609A1-20191128-C00167 | 00200001.cdx
ChemDraw10251910502D
25 28 0 0 0 0 0 0 0 0999 V2000
-4.2547 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2547 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5402 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8257 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8257 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5402 2.2334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0411 0.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5562 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0411 2.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7312 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3187 0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5063 0.6939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9188 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5063 2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3187 2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9188 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7438 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2288 -0.6880 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.0134 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0134 0.3919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2288 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6808 -0.9180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5946 -1.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8312 -2.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2547 -2.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
10 8 1 1
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 10 1 0
12 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 2 0
20 21 1 0
21 17 2 0
19 22 1 0
22 23 1 0
23 24 2 0
23 25 1 0
M END
|
|
US20180222891A1-20180809-C00643 | 00665001.cdx
ChemDraw07031815252D
40 46 0 0 0 0 0 0 0 0999 V2000
0.5675 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5675 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2820 -2.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9965 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9965 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2820 -1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7811 -2.7103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2660 -2.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7811 -1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0360 -0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8207 -0.3359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8207 0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0360 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5511 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4338 1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2622 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4776 2.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8645 1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0799 1.8060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9084 2.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1237 2.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5106 2.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6822 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8614 0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 -0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 -1.2179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8614 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8614 0.8446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 2.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2903 0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0048 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0048 2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7193 2.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4338 2.0821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4338 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7193 0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
1 10 1 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 11 2 0
13 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 14 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 20 1 0
10 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 30 1 0
30 10 2 0
27 31 1 0
31 32 1 0
32 33 2 0
32 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 35 1 0
M END
|
|
US20210130302A1-20210506-C00504 | 00555001.cdx
ChemDraw04072117142D
36 39 0 0 0 0 0 0 0 0999 V2000
2.6966 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6966 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4110 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1255 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1255 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4110 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8400 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9821 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2676 -0.3401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5532 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9150 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4670 -0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0545 -1.3321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 -1.1605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9769 0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5289 0.3386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2740 -0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8260 -1.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3901 -2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5532 0.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3359 0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5545 -1.9901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5908 1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1742 0.7113 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.0229 1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8252 2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7576 0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7576 1.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5908 0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5440 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1274 -1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9139 -2.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3409 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5545 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
1 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
15 11 2 0
12 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 13 1 0
19 20 2 0
14 21 1 0
10 22 2 0
18 23 1 0
7 24 3 0
23 25 1 0
25 26 1 0
25 27 1 0
27 28 1 0
28 25 1 0
26 29 1 0
26 30 2 0
26 31 2 0
29 32 1 0
32 33 1 0
33 34 1 0
29 35 1 0
29 36 1 0
M END
|
|
US20200039955A1-20200206-C00047 | 00068001.cdx
ChemDraw01142012322D
12 13 0 0 0 0 0 0 0 0999 V2000
-1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.4437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
6 7 1 0
7 8 1 0
4 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 5 1 0
M END
|
|
US20220144784A1-20220512-C00173 | 00190001.cdx
ChemDraw04132213072D
33 36 0 0 0 0 0 0 0 0999 V2000
1.0804 -2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9054 -2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3179 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9054 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0804 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6679 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1571 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5696 -2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3179 0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1429 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7874 1.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9624 1.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7075 1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3749 0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0424 1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2724 2.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9229 0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2554 1.3534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4120 0.8685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1571 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6679 0.0839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6420 -0.5835 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.4625 -0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9579 -1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6343 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 -1.0577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2724 -1.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9488 -2.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1298 -2.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7920 0.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6118 0.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3018 0.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9153 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
6 7 1 0
7 8 1 0
4 9 1 0
9 10 1 0
5 21 1 0
11 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 11 2 0
11 16 1 0
13 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 17 1 0
20 22 1 0
22 23 1 0
23 24 1 0
24 25 2 0
24 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 25 1 0
23 30 1 0
30 31 1 0
30 32 2 0
31 33 1 0
M END
|
|
US20200110334A1-20200409-C00025 | 00043001.cdx
ChemDraw03142000152D
28 31 0 0 0 0 0 0 0 0999 V2000
-2.2923 -0.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2923 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 -2.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8634 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8634 -0.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1489 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6761 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0886 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9136 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3261 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9136 0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0886 0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0646 -1.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7323 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3157 2.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1125 1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3261 1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7427 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2209 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0178 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6012 1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3876 1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5907 2.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1593 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
5 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
7 14 1 0
7 15 1 0
14 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 16 1 0
14 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 22 1 0
14 28 1 0
M END
|
|
US20210122763A1-20210429-C00163 | 00183001.cdx
ChemDraw03292111452D
12 13 0 0 0 0 0 0 0 0999 V2000
-1.3492 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0637 1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 -1.0313 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5788 0.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5788 -0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0637 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0
1 3 1 0
3 4 1 0
3 9 2 0
4 5 1 0
4 6 2 0
6 7 1 0
7 8 2 0
7 11 1 0
8 9 1 0
8 10 1 0
10 12 1 0
11 12 1 0
M END
|
|
US20200157053A1-20200521-C00019 | 00040001.cdx
ChemDraw04142020532D
44 48 0 0 0 0 0 0 0 0999 V2000
-4.0848 -2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0848 -2.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4040 -3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7232 -2.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7232 -2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4040 -1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -3.3567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3616 -2.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3616 -2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7656 -1.7845 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.7656 -3.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4464 -2.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 -3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 -1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -0.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7232 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 -1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3616 -0.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0424 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0424 -1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7232 -2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4040 -1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4040 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7232 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0848 -2.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7656 -1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4464 -2.1775 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.7656 -0.9983 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4464 -1.3914 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-3.4040 -0.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7232 0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4042 0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4042 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 1.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0110 2.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7974 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0403 1.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7974 3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5569 2.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
2 12 1 0
12 13 1 0
8 14 1 0
9 15 1 0
10 16 1 0
16 17 1 0
17 36 1 0
17 35 2 0
15 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 15 1 0
20 23 1 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 24 1 0
27 30 1 0
30 31 1 0
31 32 1 0
31 33 1 0
31 34 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 38 1 0
41 43 1 0
41 44 1 0
M END
|
|
US20220177434A1-20220609-C00055 | 01402001.cdx
ChemDraw03302206412D
30 33 0 0 0 0 0 0 0 0999 V2000
-0.7761 2.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7761 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0616 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6529 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6529 2.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0616 2.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3673 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0818 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0818 2.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3673 2.7648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7963 2.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5107 2.3523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.7963 3.5898 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.3673 0.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6529 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0616 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7761 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7761 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0616 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6529 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4906 -1.3602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4906 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2050 -2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7761 -2.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5107 3.1773 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.9587 -2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5107 -2.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0982 -3.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2913 -3.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1302 -1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
9 11 1 0
11 12 1 0
11 13 1 0
7 14 1 0
15 14 1 1
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 15 1 0
18 21 1 1
21 22 1 0
22 23 1 0
22 24 2 0
11 25 1 0
23 26 2 0
26 27 1 0
27 28 2 0
28 29 1 0
29 23 1 0
26 30 1 0
M END
|
|
US20220257569A1-20220818-C00033 | 00054001.cdx
ChemDraw07192219262D
23 26 0 0 0 0 0 0 0 0999 V2000
-4.5399 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5399 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8255 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1110 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1110 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8255 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3264 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3264 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2531 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2531 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5315 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0164 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5315 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9676 -0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.6820 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3965 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1110 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8255 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5399 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5399 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8255 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1110 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
8 13 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 10 1 0
10 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 18 1 0
M END
|
|
US20190358170A1-20191128-C00255 | 00258001.cdx
ChemDraw10261912262D
28 27 0 0 0 0 0 0 0 0999 V2000
-5.0013 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
14 16 1 0
13 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
24 26 1 0
26 27 1 0
25 28 1 0
M END
|
|
US20190023733A1-20190124-C00054 | 00072001.cdx
ChemDraw12031811122D
61 67 0 0 0 0 0 0 0 0999 V2000
-5.7158 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 -2.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 -2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -2.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 -1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 -2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1447 -2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 -3.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0420 1.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 2.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1190 2.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3026 2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5162 3.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5224 2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.1439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2704 -2.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4454 -2.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -0.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 2.6189 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.9186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
2 7 1 0
7 8 1 0
7 9 2 0
5 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 11 1 0
13 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 14 1 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 19 1 0
20 24 1 0
24 34 1 0
34 25 1 0
25 26 1 0
26 21 1 0
25 27 1 0
27 28 1 0
28 29 1 0
29 26 2 0
28 30 2 0
29 31 1 0
31 32 1 0
31 33 1 0
34 35 1 1
35 36 1 0
36 37 1 0
36 38 2 0
37 39 1 0
39 40 1 0
12 41 1 1
12 42 1 6
14 43 1 1
18 44 1 1
20 45 1 6
46 47 1 0
47 40 1 0
19 48 1 6
39 49 1 0
49 50 2 0
49 51 1 0
51 52 2 0
52 53 1 0
53 54 2 0
54 55 1 0
55 56 2 0
56 51 1 0
46 57 1 0
46 58 1 0
54 59 1 0
21 60 1 1
13 61 1 6
M END
|
|
US20180318294A1-20181108-C00823 | 00859001.cdx
ChemDraw10191811402D
72 81 0 0 0 0 0 0 0 0999 V2000
-6.8382 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8382 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1237 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4092 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4092 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1237 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4513 -1.5105 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-7.1157 -0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2952 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6947 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6947 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9803 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9803 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5513 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1224 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4079 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5934 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3078 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0223 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7368 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7368 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8382 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8382 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1237 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4092 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4092 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1237 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4513 1.5105 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-7.1157 0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2952 0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6947 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6947 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9803 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9803 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5513 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1224 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4079 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5934 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3078 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0223 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7368 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4513 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7368 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4513 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
2 7 1 0
7 8 1 0
8 9 2 0
9 3 1 0
4 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 10 1 0
13 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 21 1 0
23 27 1 0
27 28 2 0
28 29 1 0
29 30 2 0
30 24 1 0
28 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 72 1 0
34 35 2 0
36 37 1 0
37 38 2 0
38 39 1 0
39 40 2 0
40 41 1 0
41 36 2 0
37 42 1 0
42 43 1 0
43 44 2 0
44 38 1 0
39 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 45 1 0
48 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 2 0
57 58 1 0
58 59 2 0
59 60 1 0
60 61 2 0
61 56 1 0
58 62 1 0
62 63 2 0
63 64 1 0
64 65 2 0
65 59 1 0
63 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
69 71 2 0
70 72 1 0
M END
|
|
US20210040083A1-20210211-C00844 | 00873001.cdx
ChemDraw07061910542D
32 36 0 0 0 0 0 0 0 0999 V2000
-2.5006 0.0254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2853 1.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7702 0.4379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2853 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4568 -1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8437 -1.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0591 -1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8876 -0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4757 -1.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0591 -2.5004 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.8924 -1.3336 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.8504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 2.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.8504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8924 -2.5004 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2853 1.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 1.6754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2853 2.3428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6978 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 1 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 1 1 0
2 10 1 0
8 11 1 0
11 12 1 0
11 13 1 0
10 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 10 1 0
15 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 19 1 0
23 25 1 1
11 26 1 0
25 27 2 0
25 28 1 0
28 29 2 0
29 30 1 0
30 27 1 0
21 31 1 1
28 32 1 0
M END
|
|
US20210261568A1-20210826-C00184 | 00187001.cdx
ChemDraw07282111262D
28 31 0 0 0 0 0 0 0 0999 V2000
1.4167 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 -0.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7267 -0.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4412 -0.1029 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.1557 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0287 0.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8537 -0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 0.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1557 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9403 1.3895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4252 0.7221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9403 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5426 1.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7141 2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4987 2.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1118 2.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4167 0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2013 -0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6862 0.3096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2013 0.9770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4148 -1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 -2.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8419 -2.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4252 -2.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2117 -1.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
5 7 2 0
5 8 2 0
3 9 2 0
6 10 2 0
10 11 1 0
11 12 1 0
12 13 2 0
13 6 1 0
10 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 11 1 0
18 1 2 0
1 19 1 0
19 20 2 0
20 21 1 0
21 18 1 0
18 22 1 0
19 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
28 23 1 0
M END
|
|
US20220235062A1-20220728-C00199 | 00227001.cdx
ChemDraw06302215072D
26 29 0 0 0 0 0 0 0 0999 V2000
-1.8659 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8659 -1.3365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 -1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4369 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4369 -0.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 -0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6505 -0.2565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1354 -0.9240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6505 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9054 -2.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4369 1.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4369 1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 2.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8659 1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8659 1.1385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 -0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9920 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9920 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 -1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 -0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 0.7260 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.1354 -0.0990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
1 7 2 0
7 8 1 0
8 9 2 0
9 2 1 0
9 10 1 0
6 11 1 1
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
5 17 1 0
17 18 2 0
17 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 19 1 0
24 25 1 0
23 26 1 0
M END
|
|
US20220305011A1-20220929-C00329 | 00301001.cdx
ChemDraw09082211192D
41 46 0 0 0 0 0 0 0 0999 V2000
-1.3728 -2.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6594 -2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6615 -1.3691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0561 -2.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0047 -0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7901 -1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2522 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0772 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3301 -0.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5687 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9638 -1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2121 1.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6863 2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5956 -0.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4278 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0435 0.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3790 -0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8269 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9947 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0351 -0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3855 -0.5642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 2.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 1.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5169 2.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1693 3.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1273 -2.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 -2.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 -3.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4569 -3.4291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6552 3.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3149 1.3818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8331 2.0514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 1.8001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1399 1.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4985 -2.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8360 -2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6567 -1.9682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1399 -2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8024 -3.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9817 -3.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 6
2 3 1 0
2 4 2 0
3 5 1 0
3 9 1 0
5 6 1 1
5 7 1 0
6 11 2 0
7 8 1 0
8 9 1 0
8 10 1 6
10 12 1 0
12 13 1 0
14 15 1 0
14 17 2 0
14 20 1 0
15 16 2 0
16 18 1 0
17 19 1 0
18 19 2 0
21 6 1 0
21 20 1 0
13 22 2 0
12 23 2 0
23 24 1 0
24 25 2 0
25 22 1 0
25 26 1 0
1 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 1 1 0
26 31 1 0
18 32 1 0
32 33 1 0
33 34 2 0
34 16 1 0
32 35 1 0
28 36 1 6
36 37 2 0
37 38 1 0
38 39 2 0
39 40 1 0
40 41 2 0
41 36 1 0
M END
|
|
US20190092742A1-20190328-C00041 | 00062001.cdx
ChemDraw02081913312D
28 30 0 0 0 0 0 0 0 0999 V2000
-3.5472 -2.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7222 -2.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7222 -0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5472 -0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9597 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4847 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0722 -0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 -0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2377 -1.3259 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.0223 -1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0223 -0.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2377 0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1748 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7368 -1.4835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7368 0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4513 -0.2460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7368 0.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0346 0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8315 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4149 0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2014 1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4045 1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8211 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4847 -1.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3097 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7847 -1.3730 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-3.9597 0.0560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.7847 2.0874 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 25 1 0
25 3 2 0
3 4 1 0
4 5 2 0
5 1 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 8 2 0
12 13 1 0
10 14 1 0
11 15 1 0
15 16 1 0
15 17 2 0
16 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 18 1 0
7 24 1 0
24 25 1 0
5 26 1 0
4 27 1 0
21 28 1 0
M END
|
|
US20190330240A1-20191031-C00405 | 00383001.cdx
ChemDraw09301915502D
39 44 0 0 0 0 0 0 0 0999 V2000
-0.9433 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9433 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2288 -0.7659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 0.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2288 0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 0.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 -0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9414 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1550 2.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2288 1.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6291 0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6291 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 2.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 -0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 -1.5909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 -2.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 -2.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6291 -1.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2471 -3.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 -4.0979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3271 -4.0979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5820 -3.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3789 -3.0998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4402 -3.1418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1119 -3.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1431 -4.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9501 -4.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3685 3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7851 3.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9987 4.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7955 4.7110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3789 4.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1654 3.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
6 1 1 0
1 7 1 0
7 8 2 0
8 9 1 0
9 2 1 0
7 10 1 0
10 11 3 0
6 12 2 0
5 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 13 1 0
4 19 1 0
19 20 1 0
19 21 1 6
21 22 1 0
22 23 1 0
22 24 2 0
23 25 2 0
25 26 1 0
26 27 1 0
27 28 2 0
28 23 1 0
28 29 1 0
25 30 1 0
30 31 2 0
31 32 1 0
32 33 2 0
33 26 1 0
11 34 1 0
34 35 2 0
35 36 1 0
36 37 2 0
37 38 1 0
38 39 2 0
39 34 1 0
M END
|
|
US20200308156A1-20201001-C00128 | 00105001.cdx
ChemDraw08272010502D
23 25 0 0 0 0 0 0 0 0999 V2000
-4.0305 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0305 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3160 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6016 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6016 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3160 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8169 0.7062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3320 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8169 2.0411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5070 1.3737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0945 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7305 0.6592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1430 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9680 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5070 -0.0553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7305 -0.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3805 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2055 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2055 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3805 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0305 -2.1987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
11 15 2 0
13 16 2 0
14 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 14 1 0
18 22 1 0
22 23 3 0
M END
|
|
US20210251898A1-20210819-C00027 | 00050001.cdx
ChemDraw07272115592D
46 47 0 0 0 0 0 0 0 0999 V2000
1.7739 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4884 -0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4884 -1.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0608 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3492 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3679 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0795 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7926 -0.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5043 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2213 -0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9293 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9293 0.4199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2029 -0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3424 -0.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3424 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0569 -2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6344 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9174 -0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0569 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7713 -0.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7713 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3611 0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3569 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7897 0.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5003 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2148 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0714 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7852 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4997 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4997 1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7852 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2141 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3537 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3537 0.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6392 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9286 1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7827 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7827 0.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0747 1.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0704 0.8363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7827 0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6393 0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3537 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
2 3 2 0
2 13 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 27 1 0
12 45 1 0
13 18 1 0
14 15 1 0
14 17 1 0
14 19 1 0
15 16 1 0
16 21 1 0
17 18 1 0
19 20 1 0
20 21 1 0
22 23 1 0
22 25 1 0
23 24 1 0
24 28 1 0
25 26 1 0
26 27 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 2 0
31 33 1 0
33 38 1 0
34 35 1 0
34 37 1 0
34 39 1 0
35 36 1 0
36 41 1 0
37 38 1 0
39 40 1 0
40 41 1 0
42 43 1 0
43 44 1 0
43 46 1 0
45 46 1 0
M END
|
|
US20200281913A1-20200910-C00319 | 00344001.cdx
ChemDraw08042018252D
32 35 0 0 0 0 0 0 0 0999 V2000
-3.3969 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3969 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9680 0.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9680 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2535 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2535 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5391 -1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1754 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1754 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5391 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5391 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1284 1.5884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1266 2.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9516 2.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2065 1.5884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8899 0.2785 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7149 0.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8899 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3024 -0.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8899 -1.3715 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7149 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4774 -2.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3024 -2.0860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1274 -2.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3969 -2.4985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3969 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 -1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3969 2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 7 2 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 13 2 0
11 18 1 0
18 19 1 0
18 20 2 0
18 21 2 0
10 22 1 0
22 23 2 0
22 24 2 0
22 25 1 0
26 25 1 6
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 26 1 0
6 31 1 0
31 32 1 0
M END
|
|
US20220024931A1-20220127-C00028 | 00050001.cdx
ChemDraw01052217462D
37 42 0 0 0 0 0 0 0 0999 V2000
1.6953 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6953 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4097 -1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1242 -0.6299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1242 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4097 0.6076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9106 0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4257 -0.2174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9106 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4097 -1.8674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -1.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1513 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4062 2.1908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2132 2.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7652 1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5103 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7033 0.7931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5722 1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1242 1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8693 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0623 0.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1513 -1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4062 -2.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1458 -3.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9528 -3.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2077 -2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4681 3.1469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1458 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2077 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1091 -4.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8271 2.7054 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.9663 2.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3019 3.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 4.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0257 3.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5048 -3.6803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 1 0
8 9 2 0
9 2 1 0
3 10 1 0
9 11 1 0
7 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 13 2 0
16 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 17 1 0
11 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 11 1 0
15 28 2 0
14 29 1 0
12 30 1 0
25 31 1 0
19 32 1 0
29 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 29 1 0
26 37 1 0
M END
|
|
US20120029167A1-20120202-C00310 | 00498001.cdx
ChemDraw12231108402D
16 17 0 0 0 0 0 0 0 0999 V2000
-1.5555 -1.5767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8410 -1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1266 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5879 -1.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1266 -2.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2535 -0.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4285 -0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2859 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2859 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0706 -0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5555 0.3753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0706 1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2421 1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6290 2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1556 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3271 1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 2 0
2 6 1 6
2 7 1 1
7 8 1 0
8 9 1 0
8 10 2 0
10 11 1 0
11 12 1 0
12 9 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 9 1 0
M END
|
|
US20200301056A1-20200924-C00038 | 00078001.cdx
ChemDraw08242012592D
10 11 0 0 0 0 0 0 0 0999 V2000
-1.7617 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7617 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3328 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3328 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4518 -0.6674 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.9367 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4518 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7617 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
8 10 1 0
M END
|
|
US20220135593A1-20220505-C00027 | 00054001.cdx
ChemDraw04062208522D
40 43 0 0 0 0 0 0 0 0999 V2000
-3.1250 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9173 -1.5390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2200 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0331 -0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3359 -0.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7134 1.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7134 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1490 0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5547 0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8680 1.0403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5547 1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1490 1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0457 2.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8330 2.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1292 3.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 2.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5833 1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7122 1.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0937 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9069 -0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 0.8136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9778 1.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6201 2.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8982 2.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6751 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2591 1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8431 1.6977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2409 -0.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 -2.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7095 -1.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8964 -2.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3859 -3.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 -1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5436 -0.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0652 -0.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6354 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4486 -0.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3327 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8431 -0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37 1 1 0
1 2 1 0
2 3 1 0
4 3 1 6
4 5 1 0
5 6 1 0
9 6 1 1
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 7 1 0
12 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 13 2 0
11 18 1 0
18 19 1 0
19 14 1 0
18 20 1 1
20 21 2 0
20 22 1 0
22 23 1 0
23 26 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
28 24 1 0
2 29 2 0
3 30 1 0
4 31 1 0
31 32 1 0
32 33 1 0
31 34 1 1
5 35 2 0
10 36 2 0
37 38 2 0
37 39 1 0
39 40 1 0
M END
|
|
US20200147066A1-20200514-C00907 | 00898001.cdx
ChemDraw04092010172D
29 31 0 0 0 0 0 0 0 0999 V2000
1.8274 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5419 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8274 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5419 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3984 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3160 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3160 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.3984 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4594 -3.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5419 -0.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3283 -1.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4594 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4594 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3160 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 2 1 0
3 7 1 0
7 8 1 0
8 9 1 0
8 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 9 2 0
10 14 1 0
14 15 1 0
7 16 2 0
12 17 1 0
15 18 2 0
15 19 2 0
15 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 20 1 0
23 26 1 0
26 27 1 0
27 28 1 0
27 29 1 0
M END
|
|
US20180230146A1-20180816-C00113 | 00141001.cdx
ChemDraw06271808222D
28 32 0 0 0 0 0 0 0 0999 V2000
-4.3569 2.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3569 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6424 1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9279 1.5700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9279 2.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6424 2.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 1.1575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.8009 1.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6259 0.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4990 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4990 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7845 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0700 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0700 0.7450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7845 1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7146 -0.3349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1995 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7146 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0245 0.3325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2620 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4370 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1821 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8495 -1.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5169 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9357 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6894 -2.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3569 -2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2706 -1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
4 7 1 0
7 8 2 0
7 9 2 0
7 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 1 0
15 10 2 0
13 16 2 0
16 17 1 0
17 18 2 0
18 14 1 0
17 19 1 0
19 21 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 2 0
24 20 1 0
23 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
28 24 1 0
M END
|
|
US20210323975A1-20211021-C00438 | 00476001.cdx
ChemDraw09282112132D
31 35 0 0 0 0 0 0 0 0999 V2000
-3.3554 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5304 -0.4647 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.2754 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9429 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6103 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4173 0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9693 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7144 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9074 -1.0778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2664 -1.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5304 1.5193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4785 0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8952 -0.0499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2650 1.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0983 0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4851 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2820 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4955 0.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9121 1.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1152 0.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2715 -1.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6622 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8757 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2924 0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6726 0.4344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2560 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0529 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2664 0.8614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6830 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8862 1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 1 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 1 1 0
8 10 1 0
4 11 1 0
3 12 1 0
12 13 1 0
12 14 2 0
15 13 1 1
15 16 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 1 0
20 15 1 0
16 21 1 6
17 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 18 1 0
24 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 26 1 0
M END
|
|
US20220144812A1-20220512-C00266 | 00573001.cdx
ChemDraw04222210542D
42 46 0 0 0 0 0 0 0 0999 V2000
-0.6321 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6321 1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4167 1.3217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9016 0.6543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4167 -0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 -0.9957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 0.2418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9403 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9403 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6548 -1.4082 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 -2.6457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 -2.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 -2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 -3.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 -3.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 -4.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0105 -4.9632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4954 -4.2957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0105 -3.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4230 -2.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2923 -4.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8756 -4.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6302 2.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6966 2.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6966 1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9120 1.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4271 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9120 2.9996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6985 3.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2818 4.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9016 4.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0787 4.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8756 3.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2923 4.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8652 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 0
5 1 1 0
1 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
9 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 10 1 0
13 16 1 0
8 17 1 0
17 18 1 0
17 19 2 0
18 20 1 0
18 21 1 0
21 22 1 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 1 0
26 22 2 0
26 27 1 0
25 28 1 0
28 29 1 0
3 30 1 0
30 34 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 31 1 0
35 36 1 0
36 37 1 0
36 38 2 0
37 39 1 0
39 40 1 0
39 41 1 0
39 42 1 0
M END
|
|
US20190290778A1-20190926-C00203 | 00228001.cdx
ChemDraw08261916562D
22 24 0 0 0 0 0 0 0 0999 V2000
-2.7782 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7782 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0637 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0637 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0637 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7782 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2933 0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7782 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2933 1.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 18 1 0
18 5 2 0
5 1 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
7 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
12 16 1 0
13 17 2 0
16 18 1 0
4 19 1 0
9 20 1 0
20 21 1 0
21 22 1 0
22 10 1 0
M END
|
|
US20210212982A1-20210715-C00174 | 00161001.cdx
ChemDraw06172115062D
23 24 0 0 0 0 0 0 0 0999 V2000
0.3572 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1822 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4678 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 1 0
1 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 2 1 0
10 11 1 6
7 12 1 1
4 13 1 0
11 14 1 0
11 15 1 1
11 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
19 21 1 0
6 22 2 0
3 23 2 0
M END
|
End of preview. Expand
in Dataset Viewer.
USPTO-30K
USPTO-30K is the benchmark dataset introduced in MolGrapher: Graph-based Visual Recognition of Chemical Structures.
Existing benchmarks for Optical Chemical Structure Recognition have some limitations. Being created using only a few documents, they contain batches of very similar molecules. For example in a patent, a molecule could typically be displayed together with all the substituent of one particular substructure, resulting in large batches of almost identical molecules. Additionally, the existing sets contain molecules of different kinds, including superatom groups and various markush features, which should be evaluated independently. In practice, it is important to delimit on which types of molecules models can be applied.
We introduce USPTO-30K, a large-scale benchmark dataset of annotated molecule images, which overcomes these limitations. It is created using the pairs of images and MolFiles by the United States Patent and Trademark Office. Each molecule was independently selected among all the available documents from 2001 to 2020. The set consists of three subsets to decouple the study of clean molecules, molecules with abbreviations and large molecules.
- USPTO-10K contains 10,000 clean molecules, i.e. without any abbreviated groups.
- USPTO-10K-abb contains 10,000 molecules with superatom groups.
- USPTO-10K-L contains 10,000 clean molecules with more than 70 atoms.
- Downloads last month
- 69